#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 -0.58 0.02 1.61 1.04 -1.26 -5.06 113.70 109.48 1x2n s SER 2 Ca 0.00 0.61 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 1x2n s SER 2 Cb 0.00 0.50 -0.19 0.00 0.10 0.00 0.00 66.02 66.43 1x2n s SER 2 CO 0.00 -0.58 1.20 0.77 0.98 0.00 0.00 173.24 175.61 1x2n h SER 3 N 3.16 0.53 -0.30 7.02 4.64 -2.11 -3.49 113.55 123.00 1x2n h SER 3 Ca -0.27 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 1x2n h SER 3 Cb 1.15 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1x2n h SER 3 CO 0.39 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 178.06 1x2n n GLY 4 N 0.74 0.33 4.04 -0.77 0.00 -1.26 -4.86 105.19 103.41 1x2n n GLY 4 Ca -0.08 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1x2n n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2n n SER 5 N -3.10 -3.28 -4.61 1.61 2.88 -1.26 -4.93 113.62 100.93 1x2n n SER 5 Ca 0.00 -0.91 -0.38 0.00 -1.33 0.00 0.00 58.87 56.25 1x2n n SER 5 Cb 0.00 -3.30 -0.10 0.00 -0.75 0.00 0.00 64.21 60.06 1x2n n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x2n s SER 6 N -3.53 6.05 0.00 -3.46 0.01 -1.26 -4.92 113.70 106.59 1x2n s SER 6 Ca 0.56 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1x2n s SER 6 Cb -0.29 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1x2n s SER 6 CO 0.88 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 175.13 1x2n n GLY 7 N 4.80 -0.82 0.29 3.44 0.00 -1.26 -5.01 105.19 106.63 1x2n n GLY 7 Ca -0.14 0.55 0.22 0.00 0.00 0.00 0.00 46.02 46.64 1x2n n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x2n n LYS 8 N 0.00 -0.06 -1.50 1.61 2.85 -1.26 -4.49 118.16 115.31 1x2n n LYS 8 Ca 0.00 1.26 -0.42 0.00 -1.05 0.00 0.00 58.31 58.11 1x2n n LYS 8 Cb 0.00 -2.16 0.01 0.00 -0.65 0.00 0.00 35.03 32.23 1x2n n LYS 8 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x2n n ASN 9 N -5.12 -0.27 -3.85 -5.58 3.02 -1.26 -4.99 115.26 97.21 1x2n n ASN 9 Ca 0.28 0.94 -0.26 0.00 -0.03 0.00 0.00 54.58 55.51 1x2n n ASN 9 Cb 0.95 -1.18 -0.17 0.00 -0.61 0.00 0.00 39.78 38.76 1x2n n ASN 9 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1x2n s LYS 10 N -1.73 1.19 0.58 3.52 1.02 -1.26 -5.13 119.74 117.93 1x2n s LYS 10 Ca 0.64 -0.22 -0.18 0.00 0.02 0.00 0.00 55.97 56.23 1x2n s LYS 10 Cb -0.59 -1.55 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1x2n s LYS 10 CO 0.57 -0.34 1.10 1.03 -0.92 0.00 0.00 175.35 176.80 1x2n s ARG 11 N 1.78 3.23 0.70 1.68 3.00 -1.26 -5.03 118.95 123.04 1x2n s ARG 11 Ca 0.04 1.46 -0.12 0.00 0.00 0.00 0.00 55.73 57.11 1x2n s ARG 11 Cb -0.13 -2.00 0.18 0.00 0.00 0.00 0.00 34.95 32.99 1x2n s ARG 11 CO -0.07 -0.92 0.49 0.41 0.00 0.00 0.00 175.30 175.21 1x2n n GLY 12 N -0.24 -3.34 3.76 -3.53 0.00 -1.26 -4.93 105.19 95.65 1x2n n GLY 12 Ca 0.11 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1x2n n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x2n s VAL 13 N -1.75 2.71 0.46 1.61 -7.23 -1.26 -5.00 120.40 109.94 1x2n s VAL 13 Ca 0.35 0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 61.02 1x2n s VAL 13 Cb -0.05 -3.41 -0.08 0.00 0.56 0.00 0.00 36.38 33.40 1x2n s VAL 13 CO 0.28 0.13 0.90 -0.76 -0.31 0.00 0.00 175.10 175.34 1x2n s LEU 14 N -1.04 3.75 0.82 1.32 1.43 -1.26 -5.06 118.68 118.65 1x2n s LEU 14 Ca 0.54 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 1x2n s LEU 14 Cb -0.41 -4.34 0.09 0.00 0.03 0.00 0.00 46.19 41.56 1x2n s LEU 14 CO 0.48 -0.48 1.09 -2.16 0.23 0.00 0.00 176.35 175.51 1x2n s PRO 15 N -3.81 1.85 0.22 1.29 0.04 -1.26 -4.88 135.00 128.44 1x2n s PRO 15 Ca 0.57 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 1x2n s PRO 15 Cb -0.10 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.75 1x2n s PRO 15 CO 0.28 -1.89 1.77 -0.22 0.04 0.00 0.00 177.00 176.98 1x2n h LYS 16 N -1.30 1.15 -0.71 4.56 3.64 -1.99 -2.42 116.57 119.50 1x2n h LYS 16 Ca -0.46 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 58.70 1x2n h LYS 16 Cb 1.25 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1x2n h LYS 16 CO 0.53 0.96 0.47 1.25 -2.27 0.00 0.00 179.45 180.38 1x2n h HIS 17 N 1.12 0.89 0.31 1.91 2.76 -1.96 0.11 115.15 120.28 1x2n h HIS 17 Ca 0.25 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1x2n h HIS 17 Cb 0.26 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1x2n h HIS 17 CO 0.02 0.55 -0.15 0.00 -1.30 0.00 0.00 177.93 177.06 1x2n h ALA 18 N 1.26 -0.41 -0.20 5.26 0.00 -1.75 -2.77 119.26 120.66 1x2n h ALA 18 Ca 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1x2n h ALA 18 Cb -0.10 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x2n h ALA 18 CO -0.06 -0.67 0.12 1.79 0.00 0.00 0.00 179.25 180.42 1x2n h THR 19 N -0.52 1.06 0.66 0.00 1.35 -1.28 -2.88 112.91 111.29 1x2n h THR 19 Ca -0.04 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.66 1x2n h THR 19 Cb 0.39 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1x2n h THR 19 CO 0.07 0.06 -0.47 0.78 -0.25 0.00 0.00 175.52 175.71 1x2n h ASN 20 N 0.27 -1.22 0.19 5.36 2.35 -0.70 0.29 115.58 122.13 1x2n h ASN 20 Ca 0.07 0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1x2n h ASN 20 Cb -0.01 0.37 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1x2n h ASN 20 CO -0.01 -0.69 -0.48 0.58 -1.65 0.00 0.00 177.43 175.18 1x2n h VAL 21 N -1.08 0.07 -0.40 2.81 2.07 -1.32 0.32 116.25 118.72 1x2n h VAL 21 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1x2n h VAL 21 Cb 0.89 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1x2n h VAL 21 CO 0.04 0.00 -0.09 0.24 0.02 0.00 0.00 177.57 177.78 1x2n h MET 22 N -0.76 0.00 0.26 1.57 2.86 -1.48 -1.54 114.93 115.85 1x2n h MET 22 Ca -0.00 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1x2n h MET 22 Cb 0.75 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.37 1x2n h MET 22 CO -0.23 0.00 -0.46 0.00 1.06 0.00 0.00 176.91 177.28 1x2n h ARG 23 N 0.00 -0.77 -0.44 1.72 3.08 0.02 0.46 114.38 118.46 1x2n h ARG 23 Ca 0.19 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.37 1x2n h ARG 23 Cb 0.29 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.42 1x2n h ARG 23 CO -0.40 -0.51 -0.35 1.03 -1.07 0.00 0.00 179.97 178.66 1x2n h SER 24 N -0.79 -1.19 0.11 7.04 0.87 -0.56 -0.51 113.55 118.52 1x2n h SER 24 Ca -0.01 0.20 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1x2n h SER 24 Cb 0.76 0.55 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 1x2n h SER 24 CO -0.18 -0.33 -0.32 -0.25 -0.53 0.00 0.00 176.83 175.22 1x2n h TRP 25 N -0.26 -0.87 -0.63 2.24 7.01 -1.00 -0.80 115.95 121.65 1x2n h TRP 25 Ca 0.17 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.32 1x2n h TRP 25 Cb 0.55 0.37 -0.12 0.00 -2.10 0.00 0.00 29.16 27.86 1x2n h TRP 25 CO -0.58 -0.42 -0.18 1.25 -2.79 0.00 0.00 178.44 175.72 1x2n h LEU 26 N -0.54 -0.66 -0.19 0.65 5.85 -0.12 -0.31 115.31 120.01 1x2n h LEU 26 Ca 0.03 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1x2n h LEU 26 Cb 0.57 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1x2n h LEU 26 CO -0.19 -0.22 0.05 -0.26 -0.34 0.00 0.00 178.44 177.48 1x2n h PHE 27 N -0.02 0.09 -0.81 1.25 0.04 -0.65 0.72 116.94 117.57 1x2n h PHE 27 Ca 0.30 0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.24 1x2n h PHE 27 Cb 0.48 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 1x2n h PHE 27 CO -0.53 0.04 0.54 1.96 -0.60 0.00 0.00 178.31 179.72 1x2n h GLN 28 N 0.14 0.42 -0.28 1.51 7.50 0.36 -0.78 115.11 123.98 1x2n h GLN 28 Ca 0.08 -0.03 -0.18 0.00 0.50 0.00 0.00 58.65 59.02 1x2n h GLN 28 Cb 0.06 -0.09 -0.12 0.00 0.05 0.00 0.00 27.48 27.37 1x2n h GLN 28 CO -0.09 0.28 -0.39 0.72 -1.50 0.00 0.00 178.83 177.84 1x2n n HIS 29 N -4.49 0.96 -0.30 2.96 8.25 -0.46 -4.81 115.22 117.33 1x2n n HIS 29 Ca 0.16 -1.72 0.13 0.00 -0.26 0.00 0.00 57.72 56.02 1x2n n HIS 29 Cb 0.57 -0.38 0.28 0.00 1.12 0.00 0.00 29.99 31.58 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 1.22 0.26 -0.59 1.59 6.09 0.20 0.20 117.51 126.48 1x2n h ILE 30 Ca 0.16 -0.05 0.09 0.00 -1.37 0.00 0.00 64.86 63.69 1x2n h ILE 30 Cb 1.30 0.09 -0.07 0.00 0.47 0.00 0.00 36.82 38.62 1x2n h ILE 30 CO 0.31 0.03 0.21 1.23 -3.07 0.00 0.00 178.15 176.86 1x2n h GLY 31 N 0.15 0.81 -6.65 8.18 0.00 -1.84 -3.33 103.07 100.39 1x2n h GLY 31 Ca 0.55 -0.11 -0.60 0.00 0.00 0.00 0.00 47.33 47.17 1x2n h GLY 31 CO -0.71 -0.02 -0.83 -1.58 0.00 0.00 0.00 176.54 173.40 1x2n s HIS 32 N -6.10 1.71 -1.19 5.60 5.65 0.64 -5.05 115.29 116.55 1x2n s HIS 32 Ca -0.13 -2.47 -0.23 0.00 0.25 0.00 0.00 55.06 52.49 1x2n s HIS 32 Cb 0.17 -1.46 -0.09 0.00 -1.18 0.00 0.00 32.58 30.02 1x2n s HIS 32 CO 0.74 -0.76 1.93 -0.35 -0.65 0.00 0.00 174.74 175.65 1x2n n PRO 33 N 2.93 1.61 -3.66 2.88 -0.04 -0.76 -4.85 135.00 133.12 1x2n n PRO 33 Ca 0.22 -2.48 -0.27 0.00 -0.04 0.00 0.00 63.50 60.93 1x2n n PRO 33 Cb 0.41 -3.73 -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 11.00 0.66 0.44 0.54 1.51 -1.26 -5.01 117.35 125.24 1x2n s TYR 34 Ca 0.68 -0.73 -0.24 0.00 -1.01 0.00 0.00 57.07 55.78 1x2n s TYR 34 Cb -0.01 -0.94 -0.08 0.00 -0.11 0.00 0.00 41.96 40.83 1x2n s TYR 34 CO 0.14 -0.63 1.17 -1.25 -1.11 0.00 0.00 175.55 173.87 1x2n s PRO 35 N 1.98 3.84 0.06 -1.71 0.04 -1.26 -5.04 135.00 132.91 1x2n s PRO 35 Ca 0.03 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 1x2n s PRO 35 Cb -0.17 -2.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1x2n s PRO 35 CO -0.14 -0.49 0.34 0.95 0.04 0.00 0.00 177.00 177.70 1x2n s THR 36 N -1.50 5.19 0.32 1.26 -4.23 -1.26 -4.89 115.64 110.52 1x2n s THR 36 Ca 0.62 0.29 0.25 0.00 -1.18 0.00 0.00 61.69 61.66 1x2n s THR 36 Cb -0.29 -3.61 0.38 0.00 1.34 0.00 0.00 72.50 70.32 1x2n s THR 36 CO 0.36 0.29 1.08 -1.84 -0.54 0.00 0.00 174.62 173.97 1x2n n GLU 37 N 0.90 -0.02 -0.03 3.99 0.28 -1.26 0.14 120.64 124.64 1x2n n GLU 37 Ca -0.09 0.84 -0.10 0.00 -0.16 0.00 0.00 57.16 57.65 1x2n n GLU 37 Cb 0.52 -1.71 -0.08 0.00 1.43 0.00 0.00 31.44 31.60 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 -0.79 -1.84 3.32 -2.00 -3.24 116.42 111.82 1x2n h ASP 38 Ca 0.62 -0.58 0.17 0.00 0.02 0.00 0.00 57.03 57.25 1x2n h ASP 38 Cb 2.11 0.01 -0.15 0.00 0.22 0.00 0.00 39.33 41.52 1x2n h ASP 38 CO -0.25 0.71 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.51 1x2n h GLU 39 N -0.95 0.02 -0.84 3.56 4.39 0.86 0.71 114.58 122.33 1x2n h GLU 39 Ca -0.01 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.78 1x2n h GLU 39 Cb 0.62 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.21 1x2n h GLU 39 CO 0.01 0.01 0.55 0.87 -1.16 0.00 0.00 179.01 179.29 1x2n h LYS 40 N 0.02 0.81 0.25 2.33 1.57 -1.47 0.41 116.57 120.49 1x2n h LYS 40 Ca 0.40 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1x2n h LYS 40 Cb 0.65 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1x2n h LYS 40 CO -0.79 0.54 -0.12 0.87 -0.57 0.00 0.00 179.45 179.38 1x2n h LYS 41 N 0.84 -0.32 0.15 3.15 1.57 0.21 -2.62 116.57 119.55 1x2n h LYS 41 Ca 0.38 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1x2n h LYS 41 Cb 0.38 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1x2n h LYS 41 CO -0.15 -0.09 -0.29 1.96 -0.57 0.00 0.00 179.45 180.32 1x2n h GLN 42 N -1.04 -0.50 -0.57 3.15 1.08 -0.39 -2.54 115.11 114.31 1x2n h GLN 42 Ca -0.03 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 1x2n h GLN 42 Cb 0.38 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 27.84 1x2n h GLN 42 CO 0.06 -0.33 0.05 0.82 -0.95 0.00 0.00 178.83 178.47 1x2n h ILE 43 N -0.52 0.59 -1.22 2.54 2.04 -0.33 0.42 117.51 121.03 1x2n h ILE 43 Ca 0.02 -0.06 0.37 0.00 1.00 0.00 0.00 64.86 66.20 1x2n h ILE 43 Cb 0.54 0.40 -0.11 0.00 -0.74 0.00 0.00 36.82 36.91 1x2n h ILE 43 CO -0.15 0.03 0.79 0.00 0.00 0.00 0.00 178.15 178.82 1x2n h ALA 44 N 1.49 2.57 0.20 1.87 0.00 -1.05 0.27 119.26 124.61 1x2n h ALA 44 Ca 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1x2n h ALA 44 Cb 0.46 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x2n h ALA 44 CO -0.44 -1.11 -0.09 0.00 0.00 0.00 0.00 179.25 177.60 1x2n h ALA 45 N 1.60 -0.34 -1.05 0.00 0.00 -0.84 1.63 119.26 120.26 1x2n h ALA 45 Ca 0.73 -0.06 0.27 0.00 0.00 0.00 0.00 54.91 55.85 1x2n h ALA 45 Cb 2.18 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.98 1x2n h ALA 45 CO -0.35 -0.32 0.68 1.96 0.00 0.00 0.00 179.25 181.22 1x2n h GLN 46 N -0.79 0.34 0.00 0.00 1.08 -1.03 0.38 115.11 115.09 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 0.20 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1x2n h GLN 46 CO 0.04 0.22 -1.23 0.25 -0.95 0.00 0.00 178.83 177.17 1x2n n THR 47 N -4.58 0.07 -2.93 -0.54 -2.24 0.87 -4.75 114.28 100.18 1x2n n THR 47 Ca 0.25 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.65 1x2n n THR 47 Cb 0.91 0.42 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 -1.87 -5.05 -4.65 3.42 5.15 0.46 -4.61 115.26 108.12 1x2n n ASN 48 Ca 0.01 -0.25 -0.23 0.00 -0.60 0.00 0.00 54.58 53.51 1x2n n ASN 48 Cb 0.43 -3.85 -0.08 0.00 -0.53 0.00 0.00 39.78 35.75 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 -5.24 3.11 0.18 1.20 1.43 0.41 -4.96 118.68 114.82 1x2n s LEU 49 Ca 0.27 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1x2n s LEU 49 Cb -0.12 -1.59 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 1x2n s LEU 49 CO 0.34 -0.11 0.62 0.42 0.23 0.00 0.00 176.35 177.84 1x2n s THR 50 N -2.40 4.76 0.40 5.49 -4.23 -1.26 -4.37 115.64 114.03 1x2n s THR 50 Ca 0.33 0.96 0.32 0.00 -1.18 0.00 0.00 61.69 62.13 1x2n s THR 50 Cb -0.04 -3.76 0.48 0.00 1.34 0.00 0.00 72.50 70.52 1x2n s THR 50 CO 0.20 0.19 1.33 0.18 -0.54 0.00 0.00 174.62 175.98 1x2n n LEU 51 N 0.67 0.13 -0.08 4.79 7.99 -1.26 0.24 117.00 129.48 1x2n n LEU 51 Ca -0.04 1.10 -0.13 0.00 -0.01 0.00 0.00 56.01 56.93 1x2n n LEU 51 Cb 0.52 -0.54 -0.05 0.00 -0.11 0.00 0.00 43.42 43.23 1x2n n LEU 51 CO 0.43 -1.17 0.61 0.25 -1.51 0.00 0.00 177.39 175.99 1x2n h LEU 52 N 0.00 0.56 0.82 2.23 5.85 -1.95 -2.66 115.31 120.16 1x2n h LEU 52 Ca 0.77 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 1x2n h LEU 52 Cb 2.64 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 43.52 1x2n h LEU 52 CO -0.30 0.90 -0.40 1.56 -0.34 0.00 0.00 178.44 179.87 1x2n h GLN 53 N 0.22 -1.07 -1.07 1.25 4.20 0.26 0.55 115.11 119.46 1x2n h GLN 53 Ca 0.04 0.07 0.30 0.00 0.06 0.00 0.00 58.65 59.12 1x2n h GLN 53 Cb 0.73 0.24 -0.11 0.00 0.30 0.00 0.00 27.48 28.64 1x2n h GLN 53 CO 0.05 -0.71 0.66 0.28 -0.67 0.00 0.00 178.83 178.44 1x2n h VAL 54 N -1.21 0.43 0.21 -0.54 2.07 -1.47 0.94 116.25 116.68 1x2n h VAL 54 Ca -0.11 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1x2n h VAL 54 Cb 0.85 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1x2n h VAL 54 CO 0.19 0.07 -0.10 0.78 0.02 0.00 0.00 177.57 178.52 1x2n h ASN 55 N 0.38 -0.24 -0.30 0.57 2.35 -1.28 -2.64 115.58 114.41 1x2n h ASN 55 Ca 0.66 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 56.20 1x2n h ASN 55 Cb 1.64 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 40.00 1x2n h ASN 55 CO -0.41 0.25 -0.17 0.78 -1.65 0.00 0.00 177.43 176.24 1x2n h ASN 56 N -0.85 -0.56 -0.03 5.81 2.35 0.42 0.19 115.58 122.92 1x2n h ASN 56 Ca -0.03 0.13 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1x2n h ASN 56 Cb 0.51 0.30 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 1x2n h ASN 56 CO 0.05 -0.21 -0.29 -0.25 -1.65 0.00 0.00 177.43 175.09 1x2n h TRP 57 N -0.13 -0.78 0.30 1.19 7.01 -0.96 -1.92 115.95 120.66 1x2n h TRP 57 Ca 0.16 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 1x2n h TRP 57 Cb 0.37 0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.76 1x2n h TRP 57 CO -0.37 -0.38 -0.27 0.74 -2.79 0.00 0.00 178.44 175.37 1x2n h PHE 58 N -0.42 -0.73 -0.95 2.65 0.04 -1.04 0.39 116.94 116.88 1x2n h PHE 58 Ca 0.07 0.00 0.29 0.00 2.80 0.00 0.00 57.97 61.13 1x2n h PHE 58 Cb 0.52 0.28 -0.16 0.00 2.20 0.00 0.00 35.95 38.79 1x2n h PHE 58 CO -0.33 -0.40 0.32 0.82 -0.60 0.00 0.00 178.31 178.12 1x2n h ILE 59 N -0.60 0.20 0.14 -0.55 2.04 -0.38 0.42 117.51 118.78 1x2n h ILE 59 Ca -0.02 -0.05 -0.28 0.00 1.00 0.00 0.00 64.86 65.51 1x2n h ILE 59 Cb 0.54 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1x2n h ILE 59 CO -0.04 0.03 -1.27 -1.13 0.00 0.00 0.00 178.15 175.74 1x2n h ASN 60 N 0.16 0.54 -0.45 1.72 -1.24 -0.84 -3.25 115.58 112.22 1x2n h ASN 60 Ca 0.65 -0.56 0.13 0.00 0.71 0.00 0.00 56.30 57.23 1x2n h ASN 60 Cb 1.45 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 40.31 1x2n h ASN 60 CO -0.72 1.43 0.36 0.00 -1.29 0.00 0.00 177.43 177.21 1x2n h ALA 61 N 0.49 2.33 0.00 1.57 0.00 0.42 0.22 119.26 124.29 1x2n h ALA 61 Ca -0.16 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1x2n h ALA 61 Cb 1.98 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1x2n h ALA 61 CO 0.22 -0.59 -0.71 0.00 0.00 0.00 0.00 179.25 178.17 1x2n h ARG 62 N 0.00 0.00 0.00 0.00 3.08 -1.27 -2.97 114.38 113.22 1x2n h ARG 62 Ca 0.21 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 1x2n h ARG 62 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1x2n h ARG 62 CO -0.00 0.71 -0.29 0.00 -1.07 0.00 0.00 179.97 179.32 1x2n h ARG 63 N 0.00 0.00 0.21 0.04 -0.00 -0.69 -2.62 114.38 111.32 1x2n h ARG 63 Ca -0.01 0.00 -0.32 0.00 -0.50 0.00 0.00 59.98 59.16 1x2n h ARG 63 Cb 1.42 0.00 0.03 0.00 0.00 0.00 0.00 29.97 31.42 1x2n h ARG 63 CO 0.09 0.29 -1.40 0.07 0.00 0.00 0.00 179.97 179.02 1x2n h ARG 64 N 0.00 0.48 -0.10 0.04 0.11 -1.32 -1.53 114.38 112.06 1x2n h ARG 64 Ca -0.00 -0.80 -0.19 0.00 0.10 0.00 0.00 59.98 59.09 1x2n h ARG 64 Cb 1.14 0.29 -0.00 0.00 1.11 0.00 0.00 29.97 32.52 1x2n h ARG 64 CO 0.04 1.38 -0.74 -0.84 0.10 0.00 0.00 179.97 179.90 1x2n h ILE 65 N 0.14 1.35 0.10 0.08 3.07 -1.56 -3.34 117.51 117.35 1x2n h ILE 65 Ca -0.22 -2.10 -0.00 0.00 1.55 0.00 0.00 64.86 64.08 1x2n h ILE 65 Cb 2.10 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 40.73 1x2n h ILE 65 CO 0.25 0.64 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.88 1x2n h LEU 66 N 0.34 -0.11 -9.11 0.16 4.07 -1.57 -3.47 115.31 105.62 1x2n h LEU 66 Ca -0.04 -0.34 -0.64 0.00 0.08 0.00 0.00 57.88 56.94 1x2n h LEU 66 Cb 1.33 0.03 -0.17 0.00 1.08 0.00 0.00 40.66 42.93 1x2n h LEU 66 CO 0.13 0.51 -0.80 -1.10 -1.08 0.00 0.00 178.44 176.11 1x2n s GLN 67 N -2.54 1.62 0.78 1.13 1.11 -0.58 -5.10 119.66 116.09 1x2n s GLN 67 Ca -0.09 -1.55 -0.13 0.00 0.01 0.00 0.00 55.36 53.60 1x2n s GLN 67 Cb -0.00 -1.87 0.07 0.00 -1.01 0.00 0.00 33.01 30.19 1x2n s GLN 67 CO 0.34 0.39 1.15 -1.54 0.01 0.00 0.00 175.29 175.65 1x2n s SER 68 N -2.89 4.04 0.00 5.90 1.04 -1.26 -3.88 113.70 116.66 1x2n s SER 68 Ca 0.23 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1x2n s SER 68 Cb -0.07 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1x2n s SER 68 CO 0.12 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.59 1x2n n GLY 69 N -0.09 3.10 0.00 7.32 0.00 -1.26 -4.91 105.19 109.34 1x2n n GLY 69 Ca 0.12 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 0.37 -0.90 1.61 -0.04 -1.26 -4.82 135.00 129.95 1x2n n PRO 70 Ca 0.00 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 1x2n n PRO 70 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 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 -2.25 3.29 0.55 3.54 0.01 -1.26 -5.04 113.70 112.54 1x2n s SER 71 Ca 0.19 2.23 0.07 0.00 1.31 0.00 0.00 55.95 59.75 1x2n s SER 71 Cb 0.10 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1x2n s SER 71 CO 0.20 -2.86 0.51 -0.94 0.41 0.00 0.00 173.24 170.55 1x2n s SER 72 N -2.53 4.76 0.00 2.44 1.04 -1.26 -5.19 113.70 112.96 1x2n s SER 72 Ca 0.69 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1x2n s SER 72 Cb -0.24 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1x2n s SER 72 CO 0.55 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 174.22