#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 6.26 -0.45 1.61 0.15 -1.26 -4.98 113.70 115.03 1x2n s SER 2 Ca 0.00 0.18 -0.35 0.00 0.70 0.00 0.00 55.95 56.48 1x2n s SER 2 Cb 0.00 -1.85 -0.13 0.00 -1.71 0.00 0.00 66.02 62.33 1x2n s SER 2 CO 0.00 -0.20 2.26 -1.54 1.20 0.00 0.00 173.24 174.96 1x2n n SER 3 N -1.58 1.74 -2.77 5.45 3.41 -1.26 -4.81 113.62 113.81 1x2n n SER 3 Ca -0.06 0.35 -0.08 0.00 -0.26 0.00 0.00 58.87 58.81 1x2n n SER 3 Cb 0.57 -1.20 0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1x2n n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2n n GLY 4 N 6.64 0.07 3.51 5.00 0.00 -1.26 -5.13 105.19 114.02 1x2n n GLY 4 Ca 0.46 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.26 1x2n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2n s SER 5 N -1.46 4.85 0.08 1.61 0.15 -1.26 -5.11 113.70 112.55 1x2n s SER 5 Ca 0.32 -0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1x2n s SER 5 Cb 0.21 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.69 1x2n s SER 5 CO -0.23 0.17 -0.16 -0.44 1.20 0.00 0.00 173.24 173.78 1x2n s SER 6 N 0.36 4.00 -1.15 5.45 0.01 -1.26 -5.06 113.70 116.05 1x2n s SER 6 Ca -0.04 -0.44 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 1x2n s SER 6 Cb -0.14 -0.67 0.25 0.00 0.21 0.00 0.00 66.02 65.68 1x2n s SER 6 CO 0.03 0.22 1.47 0.61 0.41 0.00 0.00 173.24 175.97 1x2n n GLY 7 N 1.14 4.59 2.78 3.44 0.00 -1.26 -4.91 105.19 110.97 1x2n n GLY 7 Ca -0.15 -2.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.13 1x2n n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x2n s LYS 8 N -1.13 1.00 -0.90 1.61 2.47 -1.26 -5.06 119.74 116.48 1x2n s LYS 8 Ca 0.34 -1.46 -0.11 0.00 -1.56 0.00 0.00 55.97 53.19 1x2n s LYS 8 Cb 0.01 -2.31 0.23 0.00 -1.46 0.00 0.00 37.83 34.30 1x2n s LYS 8 CO 0.02 -1.02 0.84 0.54 0.16 0.00 0.00 175.35 175.89 1x2n s ASN 9 N 1.17 6.74 -0.53 1.43 2.20 -1.26 -4.98 114.94 119.70 1x2n s ASN 9 Ca 0.12 -3.04 -0.02 0.00 -0.94 0.00 0.00 52.86 48.99 1x2n s ASN 9 Cb -0.19 -2.16 0.14 0.00 -2.00 0.00 0.00 41.25 37.04 1x2n s ASN 9 CO -0.16 -0.45 0.32 -0.75 -2.94 0.00 0.00 177.10 173.13 1x2n s LYS 10 N -0.37 2.26 0.23 3.55 2.20 -1.26 -5.09 119.74 121.26 1x2n s LYS 10 Ca 0.22 -2.27 -0.01 0.00 -0.36 0.00 0.00 55.97 53.55 1x2n s LYS 10 Cb -0.11 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1x2n s LYS 10 CO -0.08 -1.12 0.43 0.50 -0.36 0.00 0.00 175.35 174.71 1x2n s ARG 11 N 0.36 3.53 0.00 4.03 6.06 -1.26 -5.08 118.95 126.59 1x2n s ARG 11 Ca 0.14 -0.30 0.00 0.00 -2.50 0.00 0.00 55.73 53.07 1x2n s ARG 11 Cb -0.22 -2.80 0.00 0.00 0.06 0.00 0.00 34.95 32.00 1x2n s ARG 11 CO -0.04 0.35 0.00 0.41 -2.50 0.00 0.00 175.30 173.53 1x2n n GLY 12 N -0.82 0.82 3.20 8.12 0.00 -1.26 -5.17 105.19 110.08 1x2n n GLY 12 Ca -0.04 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.16 1.45 0.25 1.61 0.11 -1.26 -5.15 120.40 115.24 1x2n s VAL 13 Ca 0.00 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 1x2n s VAL 13 Cb 0.00 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1x2n s VAL 13 CO 0.00 0.20 0.45 -0.76 -3.33 0.00 0.00 175.10 171.66 1x2n s LEU 14 N -0.97 4.16 0.55 2.54 1.43 -1.26 -5.08 118.68 120.05 1x2n s LEU 14 Ca 0.06 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.44 1x2n s LEU 14 Cb -0.08 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 1x2n s LEU 14 CO 0.01 -0.12 1.13 -2.16 0.23 0.00 0.00 176.35 175.44 1x2n s PRO 15 N -3.55 3.30 0.27 1.29 0.04 -1.26 -4.89 135.00 130.20 1x2n s PRO 15 Ca 0.40 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1x2n s PRO 15 Cb -0.11 -2.00 0.40 0.00 0.04 0.00 0.00 34.50 32.84 1x2n s PRO 15 CO 0.30 -0.88 1.90 1.57 0.04 0.00 0.00 177.00 179.93 1x2n h LYS 16 N 1.08 1.16 -0.73 4.56 2.10 -1.98 -1.98 116.57 120.78 1x2n h LYS 16 Ca -0.50 -0.07 0.14 0.00 -2.00 0.00 0.00 60.65 58.22 1x2n h LYS 16 Cb 1.26 -0.26 -0.09 0.00 -0.90 0.00 0.00 32.23 32.24 1x2n h LYS 16 CO 0.57 0.76 0.27 1.25 -2.00 0.00 0.00 179.45 180.30 1x2n h HIS 17 N 1.19 0.45 -0.07 0.07 2.76 -1.99 0.20 115.15 117.77 1x2n h HIS 17 Ca 0.41 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.59 1x2n h HIS 17 Cb 0.10 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1x2n h HIS 17 CO -0.00 0.04 -0.07 0.00 -1.30 0.00 0.00 177.93 176.61 1x2n h ALA 18 N 1.54 0.10 -0.34 5.26 0.00 -1.66 -3.09 119.26 121.07 1x2n h ALA 18 Ca 0.40 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1x2n h ALA 18 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1x2n h ALA 18 CO -0.41 -0.09 0.23 1.79 0.00 0.00 0.00 179.25 180.77 1x2n h THR 19 N -0.25 0.92 0.69 0.00 1.35 -0.76 -2.79 112.91 112.06 1x2n h THR 19 Ca 0.01 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.78 1x2n h THR 19 Cb 0.57 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1x2n h THR 19 CO 0.02 0.03 -0.45 0.78 -0.25 0.00 0.00 175.52 175.65 1x2n h ASN 20 N 0.17 -1.15 0.13 5.36 2.35 -0.54 0.36 115.58 122.27 1x2n h ASN 20 Ca 0.15 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1x2n h ASN 20 Cb 0.38 0.34 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 1x2n h ASN 20 CO -0.02 -0.68 -0.52 0.58 -1.65 0.00 0.00 177.43 175.13 1x2n h VAL 21 N -1.08 0.00 -0.47 2.81 2.07 -1.53 0.67 116.25 118.73 1x2n h VAL 21 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1x2n h VAL 21 Cb 0.87 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 1x2n h VAL 21 CO 0.08 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.89 1x2n h MET 22 N -0.75 0.09 0.36 1.57 2.86 -1.51 -1.22 114.93 116.32 1x2n h MET 22 Ca -0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1x2n h MET 22 Cb 0.75 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1x2n h MET 22 CO -0.28 0.06 -0.47 0.00 1.06 0.00 0.00 176.91 177.28 1x2n h ARG 23 N 0.09 -0.83 -0.53 1.72 3.08 0.26 0.52 114.38 118.70 1x2n h ARG 23 Ca 0.23 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.44 1x2n h ARG 23 Cb 0.35 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 1x2n h ARG 23 CO -0.40 -0.55 -0.25 1.03 -1.07 0.00 0.00 179.97 178.73 1x2n h SER 24 N -0.86 -0.86 0.16 7.04 0.87 -0.54 -0.98 113.55 118.38 1x2n h SER 24 Ca -0.04 0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1x2n h SER 24 Cb 0.77 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1x2n h SER 24 CO -0.12 -0.26 -0.33 -0.25 -0.53 0.00 0.00 176.83 175.33 1x2n h TRP 25 N -0.12 -0.91 -0.68 2.24 7.01 -0.94 -1.10 115.95 121.44 1x2n h TRP 25 Ca 0.24 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.40 1x2n h TRP 25 Cb 0.50 0.38 -0.12 0.00 -2.10 0.00 0.00 29.16 27.82 1x2n h TRP 25 CO -0.54 -0.45 -0.07 1.25 -2.79 0.00 0.00 178.44 175.85 1x2n h LEU 26 N -0.58 -0.44 -0.49 0.65 5.85 -0.01 0.61 115.31 120.90 1x2n h LEU 26 Ca 0.02 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1x2n h LEU 26 Cb 0.60 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1x2n h LEU 26 CO -0.17 -0.18 0.29 -0.26 -0.34 0.00 0.00 178.44 177.78 1x2n h PHE 27 N 0.06 0.55 -0.29 1.25 0.04 -0.71 0.97 116.94 118.80 1x2n h PHE 27 Ca 0.35 0.02 0.04 0.00 2.80 0.00 0.00 57.97 61.17 1x2n h PHE 27 Cb 0.57 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1x2n h PHE 27 CO -0.45 0.31 0.20 1.96 -0.60 0.00 0.00 178.31 179.73 1x2n h GLN 28 N 0.58 0.23 -0.24 1.51 1.08 0.34 -2.23 115.11 116.38 1x2n h GLN 28 Ca 0.20 -0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.20 1x2n h GLN 28 Cb 0.02 -0.05 -0.15 0.00 -0.05 0.00 0.00 27.48 27.25 1x2n h GLN 28 CO -0.09 0.15 -0.62 0.72 -0.95 0.00 0.00 178.83 178.04 1x2n n HIS 29 N -4.49 0.88 -0.28 2.96 8.25 -0.45 -4.83 115.22 117.27 1x2n n HIS 29 Ca 0.03 -1.71 0.08 0.00 -0.26 0.00 0.00 57.72 55.86 1x2n n HIS 29 Cb 0.19 -0.28 0.21 0.00 1.12 0.00 0.00 29.99 31.24 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 1.55 0.32 -0.61 1.59 6.09 0.16 0.10 117.51 126.71 1x2n h ILE 30 Ca 0.11 -0.05 0.10 0.00 -1.37 0.00 0.00 64.86 63.65 1x2n h ILE 30 Cb 1.19 0.16 -0.08 0.00 0.47 0.00 0.00 36.82 38.57 1x2n h ILE 30 CO 0.24 0.03 0.20 1.23 -3.07 0.00 0.00 178.15 176.78 1x2n h GLY 31 N 0.15 0.84 -6.71 8.18 0.00 -1.85 -3.32 103.07 100.36 1x2n h GLY 31 Ca 0.47 -0.09 -0.60 0.00 0.00 0.00 0.00 47.33 47.11 1x2n h GLY 31 CO -0.67 -0.05 -0.81 -1.58 0.00 0.00 0.00 176.54 173.43 1x2n s HIS 32 N -6.09 1.82 -1.15 5.60 5.65 0.29 -5.05 115.29 116.35 1x2n s HIS 32 Ca -0.13 -2.50 -0.23 0.00 0.25 0.00 0.00 55.06 52.46 1x2n s HIS 32 Cb 0.17 -1.56 -0.10 0.00 -1.18 0.00 0.00 32.58 29.92 1x2n s HIS 32 CO 0.74 -0.75 1.93 -0.35 -0.65 0.00 0.00 174.74 175.66 1x2n n PRO 33 N 2.96 1.59 -3.65 2.88 -0.04 -0.77 -4.84 135.00 133.13 1x2n n PRO 33 Ca 0.20 -2.42 -0.27 0.00 -0.04 0.00 0.00 63.50 60.97 1x2n n PRO 33 Cb 0.40 -3.66 -0.16 0.00 -0.04 0.00 0.00 33.50 30.04 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 10.56 0.61 0.31 0.54 1.51 -1.26 -4.97 117.35 124.65 1x2n s TYR 34 Ca 0.67 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 1x2n s TYR 34 Cb 0.01 -0.92 -0.10 0.00 -0.11 0.00 0.00 41.96 40.83 1x2n s TYR 34 CO 0.14 -0.64 1.23 -1.25 -1.11 0.00 0.00 175.55 173.91 1x2n s PRO 35 N 2.00 4.46 0.11 -1.71 0.04 -1.26 -5.02 135.00 133.61 1x2n s PRO 35 Ca 0.03 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1x2n s PRO 35 Cb -0.16 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.20 1x2n s PRO 35 CO -0.16 -0.04 0.55 0.95 0.04 0.00 0.00 177.00 178.34 1x2n s THR 36 N -1.15 4.82 0.30 1.26 -4.23 -1.26 -4.86 115.64 110.52 1x2n s THR 36 Ca 0.47 0.98 0.23 0.00 -1.18 0.00 0.00 61.69 62.19 1x2n s THR 36 Cb -0.37 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.03 1x2n s THR 36 CO 0.48 0.39 1.04 -1.84 -0.54 0.00 0.00 174.62 174.16 1x2n n GLU 37 N 1.24 -0.02 -0.04 3.99 0.28 -1.26 0.22 120.64 125.06 1x2n n GLU 37 Ca -0.08 0.83 -0.14 0.00 -0.16 0.00 0.00 57.16 57.61 1x2n n GLU 37 Cb 0.51 -1.65 -0.11 0.00 1.43 0.00 0.00 31.44 31.62 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1x2n h ASP 38 N 0.00 0.04 -0.82 -1.84 3.32 -2.00 -3.04 116.42 112.09 1x2n h ASP 38 Ca 0.59 -0.74 0.12 0.00 0.02 0.00 0.00 57.03 57.02 1x2n h ASP 38 Cb 1.95 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 41.40 1x2n h ASP 38 CO -0.29 0.78 0.43 -0.33 -1.72 0.00 0.00 179.24 178.11 1x2n h GLU 39 N -0.69 0.64 -0.88 3.56 4.39 0.24 0.23 114.58 122.07 1x2n h GLU 39 Ca -0.00 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1x2n h GLU 39 Cb 0.78 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 1x2n h GLU 39 CO 0.01 0.42 0.50 0.87 -1.16 0.00 0.00 179.01 179.65 1x2n h LYS 40 N 0.66 1.21 0.19 2.33 1.57 -1.31 0.42 116.57 121.65 1x2n h LYS 40 Ca 0.43 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1x2n h LYS 40 Cb 0.53 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1x2n h LYS 40 CO -0.32 0.88 -0.09 0.87 -0.57 0.00 0.00 179.45 180.21 1x2n h LYS 41 N 1.22 -0.25 0.41 3.15 1.57 -1.00 -2.29 116.57 119.38 1x2n h LYS 41 Ca 0.31 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1x2n h LYS 41 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1x2n h LYS 41 CO -0.05 0.16 -0.20 1.96 -0.57 0.00 0.00 179.45 180.74 1x2n h GLN 42 N -0.80 -0.53 -0.25 3.15 4.20 -0.57 -3.08 115.11 117.22 1x2n h GLN 42 Ca -0.03 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.78 1x2n h GLN 42 Cb 0.52 0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 1x2n h GLN 42 CO 0.04 -0.35 -0.28 0.82 -0.67 0.00 0.00 178.83 178.38 1x2n h ILE 43 N -0.55 0.32 -1.13 2.54 2.04 -0.27 -0.41 117.51 120.06 1x2n h ILE 43 Ca -0.06 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.24 1x2n h ILE 43 Cb 0.42 0.32 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 1x2n h ILE 43 CO 0.09 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.90 1x2n n ALA 44 N -2.86 1.14 0.06 1.87 0.00 -0.86 -0.19 120.51 119.66 1x2n n ALA 44 Ca -0.01 0.93 -0.03 0.00 0.00 0.00 0.00 53.44 54.34 1x2n n ALA 44 Cb 0.31 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 1.78 -0.49 -1.08 0.00 0.00 -1.06 1.93 119.26 120.36 1x2n h ALA 45 Ca 0.84 -0.04 0.33 0.00 0.00 0.00 0.00 54.91 56.04 1x2n h ALA 45 Cb 2.43 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 20.16 1x2n h ALA 45 CO -0.63 -0.47 0.65 1.96 0.00 0.00 0.00 179.25 180.76 1x2n h GLN 46 N -0.34 0.31 0.00 0.00 4.20 -0.94 0.98 115.11 119.32 1x2n h GLN 46 Ca -0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1x2n h GLN 46 Cb 0.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1x2n h GLN 46 CO 0.03 0.20 -0.87 0.25 -0.67 0.00 0.00 178.83 177.77 1x2n n THR 47 N -4.87 0.08 -2.86 -0.54 -2.24 0.73 -4.82 114.28 99.76 1x2n n THR 47 Ca 0.31 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.77 1x2n n THR 47 Cb 1.03 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.72 -5.66 -4.66 3.42 3.02 0.55 -4.70 115.26 105.50 1x2n n ASN 48 Ca 0.03 -0.23 -0.24 0.00 -0.03 0.00 0.00 54.58 54.12 1x2n n ASN 48 Cb 0.38 -4.52 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -5.97 3.27 0.22 3.41 1.43 0.43 -4.95 118.68 116.52 1x2n s LEU 49 Ca 0.24 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.61 1x2n s LEU 49 Cb -0.10 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1x2n s LEU 49 CO 0.29 0.02 0.71 0.42 0.23 0.00 0.00 176.35 178.02 1x2n s THR 50 N -2.13 4.61 0.26 5.49 -4.23 -1.26 -4.34 115.64 114.04 1x2n s THR 50 Ca 0.30 1.20 0.13 0.00 -1.18 0.00 0.00 61.69 62.15 1x2n s THR 50 Cb -0.07 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.21 1x2n s THR 50 CO 0.20 0.17 1.15 0.18 -0.54 0.00 0.00 174.62 175.78 1x2n n LEU 51 N 0.62 0.21 0.17 4.79 7.99 -1.26 0.13 117.00 129.65 1x2n n LEU 51 Ca -0.02 1.22 -0.14 0.00 -0.01 0.00 0.00 56.01 57.06 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 -1.35 0.64 0.25 -1.51 0.00 0.00 177.39 175.85 1x2n h LEU 52 N 0.00 -0.35 0.34 2.23 6.46 -1.97 -2.34 115.31 119.67 1x2n h LEU 52 Ca 0.60 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 58.24 1x2n h LEU 52 Cb 1.55 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.54 1x2n h LEU 52 CO -0.58 -0.08 -0.39 1.56 -0.62 0.00 0.00 178.44 178.33 1x2n h GLN 53 N -0.63 -0.74 -1.05 1.25 4.20 0.75 0.32 115.11 119.21 1x2n h GLN 53 Ca -0.04 0.05 0.28 0.00 0.06 0.00 0.00 58.65 59.00 1x2n h GLN 53 Cb 0.45 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.29 1x2n h GLN 53 CO 0.07 -0.49 0.65 0.28 -0.67 0.00 0.00 178.83 178.67 1x2n h VAL 54 N -0.77 0.47 0.40 -0.54 2.07 -1.24 -0.34 116.25 116.32 1x2n h VAL 54 Ca -0.02 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1x2n h VAL 54 Cb 0.71 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1x2n h VAL 54 CO -0.10 0.08 -0.19 0.78 0.02 0.00 0.00 177.57 178.16 1x2n h ASN 55 N 0.43 -0.46 -0.53 0.57 2.35 -0.77 -2.92 115.58 114.25 1x2n h ASN 55 Ca 0.64 -0.06 0.10 0.00 -0.55 0.00 0.00 56.30 56.43 1x2n h ASN 55 Cb 1.52 0.12 -0.11 0.00 0.05 0.00 0.00 38.32 39.90 1x2n h ASN 55 CO -0.40 -0.02 -0.32 0.78 -1.65 0.00 0.00 177.43 175.82 1x2n h ASN 56 N -1.08 -1.09 -0.56 5.81 2.35 -0.11 0.22 115.58 121.13 1x2n h ASN 56 Ca -0.06 0.21 0.11 0.00 -0.55 0.00 0.00 56.30 56.02 1x2n h ASN 56 Cb 0.50 0.54 -0.10 0.00 0.05 0.00 0.00 38.32 39.30 1x2n h ASN 56 CO 0.09 -0.30 -0.05 -0.25 -1.65 0.00 0.00 177.43 175.27 1x2n h TRP 57 N -0.18 -0.14 0.23 1.19 7.01 -1.19 0.03 115.95 122.91 1x2n h TRP 57 Ca 0.22 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 1x2n h TRP 57 Cb 0.54 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 1x2n h TRP 57 CO -0.59 -0.18 -0.11 0.74 -2.79 0.00 0.00 178.44 175.50 1x2n h PHE 58 N 0.07 -0.29 -0.85 2.65 0.04 -0.86 -0.99 116.94 116.71 1x2n h PHE 58 Ca 0.28 -0.01 0.23 0.00 2.80 0.00 0.00 57.97 61.27 1x2n h PHE 58 Cb 0.44 0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 1x2n h PHE 58 CO -0.39 -0.07 0.60 0.82 -0.60 0.00 0.00 178.31 178.66 1x2n h ILE 59 N -0.46 0.62 0.00 -0.55 2.04 0.04 0.81 117.51 120.01 1x2n h ILE 59 Ca -0.03 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1x2n h ILE 59 Cb 0.35 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1x2n h ILE 59 CO 0.05 0.02 -0.45 -1.13 0.00 0.00 0.00 178.15 176.64 1x2n h ASN 60 N 0.14 0.00 0.31 1.72 -0.73 -0.63 -3.12 115.58 113.26 1x2n h ASN 60 Ca 0.42 -0.08 -0.33 0.00 1.87 0.00 0.00 56.30 58.18 1x2n h ASN 60 Cb 1.44 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.00 1x2n h ASN 60 CO -0.06 0.04 -1.84 0.00 -0.37 0.00 0.00 177.43 175.20 1x2n h ALA 61 N 2.30 0.57 0.00 1.57 0.00 0.18 -3.07 119.26 120.81 1x2n h ALA 61 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 54.91 53.48 1x2n h ALA 61 Cb 0.85 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1x2n h ALA 61 CO 0.00 1.42 -0.11 0.07 0.00 0.00 0.00 179.25 180.62 1x2n h ARG 62 N 0.04 0.00 0.15 0.00 0.11 -0.51 -2.51 114.38 111.66 1x2n h ARG 62 Ca -0.35 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.39 1x2n h ARG 62 Cb 2.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 1x2n h ARG 62 CO 0.09 0.11 -1.78 0.07 0.10 0.00 0.00 179.97 178.57 1x2n h ARG 63 N 0.00 0.32 -0.35 0.08 0.11 -1.68 -2.93 114.38 109.93 1x2n h ARG 63 Ca -0.00 -0.55 -0.15 0.00 0.10 0.00 0.00 59.98 59.39 1x2n h ARG 63 Cb 0.89 0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 1x2n h ARG 63 CO 0.01 1.22 -0.37 0.07 0.10 0.00 0.00 179.97 181.00 1x2n h ARG 64 N 0.09 0.83 -0.20 0.08 0.11 -1.55 -3.06 114.38 110.67 1x2n h ARG 64 Ca -0.34 -0.42 -0.19 0.00 0.10 0.00 0.00 59.98 59.12 1x2n h ARG 64 Cb 2.07 0.01 0.01 0.00 1.11 0.00 0.00 29.97 33.16 1x2n h ARG 64 CO 0.15 1.06 -0.63 -0.84 0.10 0.00 0.00 179.97 179.81 1x2n h ILE 65 N 0.68 1.29 -0.52 0.08 3.07 -1.60 -3.25 117.51 117.27 1x2n h ILE 65 Ca 0.06 -1.83 0.10 0.00 1.55 0.00 0.00 64.86 64.74 1x2n h ILE 65 Cb 0.94 1.86 -0.08 0.00 -0.27 0.00 0.00 36.82 39.27 1x2n h ILE 65 CO 0.09 0.58 0.02 -0.07 -1.05 0.00 0.00 178.15 177.72 1x2n h LEU 66 N 0.52 -0.18 -9.76 0.16 3.38 -1.49 -3.41 115.31 104.52 1x2n h LEU 66 Ca -0.02 0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 1x2n h LEU 66 Cb 1.25 0.20 0.07 0.00 0.09 0.00 0.00 40.66 42.28 1x2n h LEU 66 CO 0.13 -0.06 0.85 -1.10 0.09 0.00 0.00 178.44 178.35 1x2n s GLN 67 N -6.16 4.18 -0.28 1.13 -1.52 -1.16 -4.86 119.66 110.99 1x2n s GLN 67 Ca -0.13 2.47 -0.29 0.00 -1.95 0.00 0.00 55.36 55.45 1x2n s GLN 67 Cb 0.16 -3.06 -0.07 0.00 -0.22 0.00 0.00 33.01 29.82 1x2n s GLN 67 CO 0.73 -0.57 2.24 0.43 -0.25 0.00 0.00 175.29 177.87 1x2n n SER 68 N 2.47 2.93 0.00 5.90 7.64 -1.26 -4.58 113.62 126.71 1x2n n SER 68 Ca 0.09 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x2n n SER 68 Cb 0.38 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1x2n n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2n n GLY 69 N 5.96 0.33 0.00 0.23 0.00 -1.26 -4.70 105.19 105.75 1x2n n GLY 69 Ca 0.33 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 0.79 0.34 -2.59 1.61 -0.04 -1.26 -4.76 135.00 129.08 1x2n n PRO 70 Ca 0.00 0.08 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 1x2n n PRO 70 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1x2n n PRO 70 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x2n s SER 71 N -2.31 5.92 -0.03 3.54 0.01 -1.26 -5.02 113.70 114.55 1x2n s SER 71 Ca 0.18 0.74 0.16 0.00 1.31 0.00 0.00 55.95 58.34 1x2n s SER 71 Cb 0.10 -1.92 -0.24 0.00 0.21 0.00 0.00 66.02 64.17 1x2n s SER 71 CO 0.21 -0.80 0.33 -1.54 0.41 0.00 0.00 173.24 171.85 1x2n n SER 72 N -2.36 1.35 0.00 2.44 3.41 -1.26 -4.93 113.62 112.27 1x2n n SER 72 Ca 0.02 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.77 1x2n n SER 72 Cb 0.56 1.67 0.81 0.00 -0.26 0.00 0.00 64.21 67.00 1x2n n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49