#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 -0.88 -4.56 1.61 3.41 -1.26 -4.73 113.62 107.21 1x2n n SER 2 Ca 0.00 -0.92 -0.39 0.00 -0.26 0.00 0.00 58.87 57.30 1x2n n SER 2 Cb 0.00 -1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 62.75 1x2n n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x2n s SER 3 N -2.96 5.31 -0.16 4.04 0.15 -1.26 -4.88 113.70 113.94 1x2n s SER 3 Ca 0.48 0.57 -0.34 0.00 0.70 0.00 0.00 55.95 57.35 1x2n s SER 3 Cb -0.28 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.64 1x2n s SER 3 CO 0.75 -2.30 1.25 -0.83 1.20 0.00 0.00 173.24 173.31 1x2n s GLY 4 N 8.07 -0.31 -0.24 9.45 0.00 -1.26 -5.17 107.32 117.87 1x2n s GLY 4 Ca 0.72 1.44 -0.11 0.00 0.00 0.00 0.00 44.72 46.77 1x2n s GLY 4 CO 0.23 0.45 0.55 -0.56 0.00 0.00 0.00 173.10 173.78 1x2n s SER 5 N -2.34 -0.73 -0.80 1.64 0.01 -1.26 -5.11 113.70 105.12 1x2n s SER 5 Ca 0.11 1.25 -0.13 0.00 1.31 0.00 0.00 55.95 58.48 1x2n s SER 5 Cb 0.00 1.41 0.21 0.00 0.21 0.00 0.00 66.02 67.86 1x2n s SER 5 CO -0.04 -0.22 0.73 -0.44 0.41 0.00 0.00 173.24 173.68 1x2n s SER 6 N 2.06 6.64 0.09 2.44 0.01 -1.26 -4.99 113.70 118.69 1x2n s SER 6 Ca -0.07 -2.65 -0.03 0.00 1.31 0.00 0.00 55.95 54.51 1x2n s SER 6 Cb -0.09 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1x2n s SER 6 CO -0.16 -0.58 0.17 0.61 0.41 0.00 0.00 173.24 173.69 1x2n n GLY 7 N 4.02 1.91 3.77 3.44 0.00 -1.26 -5.15 105.19 111.92 1x2n n GLY 7 Ca 0.12 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 1x2n n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x2n s LYS 8 N -2.04 4.22 0.16 1.61 1.02 -1.26 -5.03 119.74 118.43 1x2n s LYS 8 Ca 0.04 2.21 0.05 0.00 0.02 0.00 0.00 55.97 58.28 1x2n s LYS 8 Cb -0.01 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1x2n s LYS 8 CO 0.03 -0.29 0.16 0.54 -0.92 0.00 0.00 175.35 174.87 1x2n s ASN 9 N -0.56 5.67 -0.22 2.83 2.20 -1.26 -5.12 114.94 118.48 1x2n s ASN 9 Ca 0.52 -0.07 -0.17 0.00 -0.94 0.00 0.00 52.86 52.19 1x2n s ASN 9 Cb -0.39 -1.53 0.06 0.00 -2.00 0.00 0.00 41.25 37.39 1x2n s ASN 9 CO 0.52 0.06 0.57 -0.75 -2.94 0.00 0.00 177.10 174.56 1x2n s LYS 10 N -3.13 0.62 -0.27 3.55 2.20 -1.26 -5.16 119.74 116.28 1x2n s LYS 10 Ca 0.32 0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 56.57 1x2n s LYS 10 Cb -0.10 0.21 0.15 0.00 -1.51 0.00 0.00 37.83 36.57 1x2n s LYS 10 CO 0.24 -0.11 1.18 -0.98 -0.36 0.00 0.00 175.35 175.31 1x2n s ARG 11 N 0.87 0.35 0.00 4.03 1.70 -1.26 -4.65 118.95 119.99 1x2n s ARG 11 Ca -0.04 0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1x2n s ARG 11 Cb -0.05 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1x2n s ARG 11 CO -0.07 -0.06 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1x2n n GLY 12 N 1.74 0.13 3.81 3.88 0.00 -1.26 -5.15 105.19 108.34 1x2n n GLY 12 Ca -0.11 0.53 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 1x2n n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x2n s VAL 13 N 2.40 4.56 0.09 1.61 1.01 -1.26 -5.08 120.40 123.73 1x2n s VAL 13 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.36 1x2n s VAL 13 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1x2n s VAL 13 CO 0.00 0.25 -0.15 -0.76 0.00 0.00 0.00 175.10 174.44 1x2n s LEU 14 N -1.86 2.33 0.31 3.92 1.43 -1.26 -5.13 118.68 118.42 1x2n s LEU 14 Ca 0.42 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1x2n s LEU 14 Cb -0.17 -0.56 -0.10 0.00 0.03 0.00 0.00 46.19 45.38 1x2n s LEU 14 CO 0.21 -0.09 1.23 -2.16 0.23 0.00 0.00 176.35 175.77 1x2n s PRO 15 N -2.12 4.46 0.32 1.29 0.04 -1.26 -4.90 135.00 132.83 1x2n s PRO 15 Ca 0.03 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.21 1x2n s PRO 15 Cb -0.08 -3.11 0.90 0.00 0.04 0.00 0.00 34.50 32.25 1x2n s PRO 15 CO 0.03 -0.03 1.66 -0.22 0.04 0.00 0.00 177.00 178.47 1x2n h LYS 16 N 3.54 0.27 -0.69 4.56 1.63 -2.00 0.42 116.57 124.31 1x2n h LYS 16 Ca -0.48 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.34 1x2n h LYS 16 Cb 1.22 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.74 1x2n h LYS 16 CO 0.66 0.18 0.43 1.25 -3.45 0.00 0.00 179.45 178.52 1x2n h HIS 17 N 0.28 0.80 0.11 1.91 2.76 -1.94 -1.14 115.15 117.93 1x2n h HIS 17 Ca 0.64 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.85 1x2n h HIS 17 Cb 1.39 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 30.06 1x2n h HIS 17 CO -0.13 0.45 -0.23 0.00 -1.30 0.00 0.00 177.93 176.72 1x2n h ALA 18 N 1.30 -0.38 -0.49 5.26 0.00 -0.36 -2.04 119.26 122.55 1x2n h ALA 18 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1x2n h ALA 18 Cb 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1x2n h ALA 18 CO -0.12 -0.76 0.31 1.79 0.00 0.00 0.00 179.25 180.47 1x2n h THR 19 N -0.42 1.13 0.61 0.00 1.35 -1.22 -2.52 112.91 111.84 1x2n h THR 19 Ca 0.03 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1x2n h THR 19 Cb 0.44 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 1x2n h THR 19 CO -0.13 0.14 -0.51 0.78 -0.25 0.00 0.00 175.52 175.55 1x2n h ASN 20 N 0.66 -1.36 0.43 5.36 2.35 -0.52 0.33 115.58 122.84 1x2n h ASN 20 Ca 0.18 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 1x2n h ASN 20 Cb -0.05 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1x2n h ASN 20 CO -0.04 -0.71 -0.47 0.58 -1.65 0.00 0.00 177.43 175.15 1x2n h VAL 21 N -1.09 0.08 -0.63 2.81 2.07 -1.29 -1.12 116.25 117.07 1x2n h VAL 21 Ca -0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1x2n h VAL 21 Cb 0.92 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1x2n h VAL 21 CO -0.01 0.00 0.08 0.24 0.02 0.00 0.00 177.57 177.90 1x2n h MET 22 N -0.92 0.19 0.35 1.57 2.86 -1.43 -1.49 114.93 116.06 1x2n h MET 22 Ca -0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1x2n h MET 22 Cb 0.82 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1x2n h MET 22 CO -0.08 0.13 -0.39 0.00 1.06 0.00 0.00 176.91 177.62 1x2n h ARG 23 N 0.20 -0.72 -0.53 1.72 3.08 0.05 0.62 114.38 118.79 1x2n h ARG 23 Ca 0.34 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.52 1x2n h ARG 23 Cb 0.54 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.65 1x2n h ARG 23 CO -0.48 -0.48 -0.41 1.03 -1.07 0.00 0.00 179.97 178.56 1x2n h SER 24 N -0.75 -1.38 -0.03 7.04 0.87 -0.78 -0.18 113.55 118.33 1x2n h SER 24 Ca -0.04 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1x2n h SER 24 Cb 0.66 0.63 -0.05 0.00 -0.44 0.00 0.00 62.40 63.20 1x2n h SER 24 CO -0.07 -0.34 -0.32 -0.25 -0.53 0.00 0.00 176.83 175.32 1x2n h TRP 25 N -0.24 -0.89 -0.70 2.24 7.01 -1.12 0.17 115.95 122.41 1x2n h TRP 25 Ca 0.18 0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.36 1x2n h TRP 25 Cb 0.56 0.40 -0.11 0.00 -2.10 0.00 0.00 29.16 27.91 1x2n h TRP 25 CO -0.66 -0.41 0.09 1.25 -2.79 0.00 0.00 178.44 175.91 1x2n h LEU 26 N -0.46 -0.15 -0.44 0.65 5.85 0.17 0.10 115.31 121.03 1x2n h LEU 26 Ca 0.07 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1x2n h LEU 26 Cb 0.56 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1x2n h LEU 26 CO -0.29 -0.09 0.21 -0.26 -0.34 0.00 0.00 178.44 177.67 1x2n h PHE 27 N 0.19 0.63 -0.40 1.25 0.04 -0.28 0.48 116.94 118.85 1x2n h PHE 27 Ca 0.39 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.18 1x2n h PHE 27 Cb 0.66 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1x2n h PHE 27 CO -0.32 0.51 0.27 1.96 -0.60 0.00 0.00 178.31 180.12 1x2n h GLN 28 N 0.57 0.29 -0.26 1.51 1.08 0.88 -1.96 115.11 117.21 1x2n h GLN 28 Ca 0.15 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 57.15 1x2n h GLN 28 Cb 0.11 -0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.35 1x2n h GLN 28 CO -0.02 0.19 -0.51 0.72 -0.95 0.00 0.00 178.83 178.26 1x2n n HIS 29 N -4.48 0.92 -0.31 2.96 8.25 -0.40 -4.82 115.22 117.35 1x2n n HIS 29 Ca 0.05 -1.73 0.15 0.00 -0.26 0.00 0.00 57.72 55.92 1x2n n HIS 29 Cb 0.25 -0.33 0.31 0.00 1.12 0.00 0.00 29.99 31.35 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 1.31 0.23 -0.49 1.59 6.09 0.76 0.18 117.51 127.19 1x2n h ILE 30 Ca 0.14 -0.05 0.09 0.00 -1.37 0.00 0.00 64.86 63.66 1x2n h ILE 30 Cb 1.22 0.07 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 1x2n h ILE 30 CO 0.28 0.03 0.06 1.23 -3.07 0.00 0.00 178.15 176.67 1x2n h GLY 31 N 0.15 0.55 -6.63 8.18 0.00 -1.85 -3.33 103.07 100.14 1x2n h GLY 31 Ca 0.58 0.01 -0.60 0.00 0.00 0.00 0.00 47.33 47.33 1x2n h GLY 31 CO -0.72 -0.10 -0.85 -1.58 0.00 0.00 0.00 176.54 173.30 1x2n s HIS 32 N -6.15 1.60 -1.17 5.60 2.46 0.56 -5.05 115.29 113.14 1x2n s HIS 32 Ca -0.13 -2.40 -0.23 0.00 0.47 0.00 0.00 55.06 52.77 1x2n s HIS 32 Cb 0.15 -1.39 -0.09 0.00 -0.13 0.00 0.00 32.58 31.12 1x2n s HIS 32 CO 0.72 -0.77 1.93 -0.35 -2.47 0.00 0.00 174.74 173.80 1x2n n PRO 33 N 3.02 1.61 -3.65 2.88 -0.04 -0.78 -4.84 135.00 133.18 1x2n n PRO 33 Ca 0.21 -2.45 -0.27 0.00 -0.04 0.00 0.00 63.50 60.95 1x2n n PRO 33 Cb 0.42 -3.69 -0.16 0.00 -0.04 0.00 0.00 33.50 30.02 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 10.71 0.65 0.39 0.54 1.51 -1.26 -4.94 117.35 124.94 1x2n s TYR 34 Ca 0.68 -0.74 -0.26 0.00 -1.01 0.00 0.00 57.07 55.74 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 -0.64 1.19 -1.25 -1.11 0.00 0.00 175.55 173.88 1x2n s PRO 35 N 1.98 4.11 0.20 -1.71 0.04 -1.26 -5.04 135.00 133.33 1x2n s PRO 35 Ca 0.03 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 1x2n s PRO 35 Cb -0.17 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 1x2n s PRO 35 CO -0.15 -0.29 0.46 -0.08 0.04 0.00 0.00 177.00 176.98 1x2n s THR 36 N -1.35 5.08 0.27 1.26 -1.32 -1.26 -4.87 115.64 113.45 1x2n s THR 36 Ca 0.55 0.12 0.17 0.00 -1.21 0.00 0.00 61.69 61.32 1x2n s THR 36 Cb -0.33 -3.65 0.28 0.00 -1.51 0.00 0.00 72.50 67.29 1x2n s THR 36 CO 0.41 -0.08 1.09 -0.62 -2.21 0.00 0.00 174.62 173.22 1x2n n GLU 37 N -0.23 -0.04 0.13 7.08 -0.58 -1.26 0.15 120.64 125.89 1x2n n GLU 37 Ca -0.02 0.93 -0.06 0.00 -0.42 0.00 0.00 57.16 57.59 1x2n n GLU 37 Cb 0.52 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1x2n h ASP 38 N 0.00 -0.33 -0.95 1.62 5.19 -1.99 -3.08 116.42 116.88 1x2n h ASP 38 Ca 0.60 0.01 0.33 0.00 -0.62 0.00 0.00 57.03 57.35 1x2n h ASP 38 Cb 1.70 0.09 -0.17 0.00 0.18 0.00 0.00 39.33 41.12 1x2n h ASP 38 CO -0.47 0.02 0.26 -0.62 -3.12 0.00 0.00 179.24 175.31 1x2n n GLU 39 N -4.49 -0.07 -0.28 3.56 -0.58 0.12 0.19 120.64 119.10 1x2n n GLU 39 Ca -0.05 1.36 -0.05 0.00 -0.42 0.00 0.00 57.16 58.00 1x2n n GLU 39 Cb 0.15 -2.30 0.06 0.00 -0.57 0.00 0.00 31.44 28.79 1x2n n GLU 39 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1x2n h LYS 40 N 0.00 1.09 0.09 3.49 1.57 -1.35 0.50 116.57 121.96 1x2n h LYS 40 Ca 0.69 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1x2n h LYS 40 Cb 1.65 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1x2n h LYS 40 CO -0.81 0.84 -0.04 0.87 -0.57 0.00 0.00 179.45 179.73 1x2n h LYS 41 N 1.07 -0.12 0.45 3.15 1.57 0.22 -2.40 116.57 120.51 1x2n h LYS 41 Ca 0.26 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1x2n h LYS 41 Cb 0.10 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1x2n h LYS 41 CO -0.04 0.41 -0.21 1.96 -0.57 0.00 0.00 179.45 181.00 1x2n h GLN 42 N -0.78 -0.58 -0.44 3.15 1.08 -0.40 -3.06 115.11 114.08 1x2n h GLN 42 Ca -0.01 0.04 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1x2n h GLN 42 Cb 0.58 0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 28.07 1x2n h GLN 42 CO 0.02 -0.36 -0.06 0.82 -0.95 0.00 0.00 178.83 178.30 1x2n h ILE 43 N -0.65 0.60 -1.02 2.54 2.04 -0.12 -0.74 117.51 120.16 1x2n h ILE 43 Ca -0.06 -0.01 0.39 0.00 1.00 0.00 0.00 64.86 66.18 1x2n h ILE 43 Cb 0.49 0.56 -0.17 0.00 -0.74 0.00 0.00 36.82 36.96 1x2n h ILE 43 CO 0.10 0.01 0.57 0.00 0.00 0.00 0.00 178.15 178.83 1x2n h ALA 44 N 1.42 2.15 0.28 1.87 0.00 -1.32 0.25 119.26 123.91 1x2n h ALA 44 Ca 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 1x2n h ALA 44 Cb 0.32 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x2n h ALA 44 CO -0.41 -0.87 -0.14 0.00 0.00 0.00 0.00 179.25 177.83 1x2n h ALA 45 N 1.93 -0.53 -1.08 0.00 0.00 -1.13 1.70 119.26 120.14 1x2n h ALA 45 Ca 0.81 -0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.95 1x2n h ALA 45 Cb 2.11 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.93 1x2n h ALA 45 CO -0.70 -0.51 0.68 1.96 0.00 0.00 0.00 179.25 180.68 1x2n h GLN 46 N -0.74 0.33 0.00 0.00 1.08 -0.99 0.66 115.11 115.46 1x2n h GLN 46 Ca -0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1x2n h GLN 46 Cb 0.29 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1x2n h GLN 46 CO 0.06 0.22 -1.11 0.25 -0.95 0.00 0.00 178.83 177.30 1x2n n THR 47 N -4.76 0.20 -2.95 -0.54 -2.24 0.78 -4.65 114.28 100.13 1x2n n THR 47 Ca 0.29 -0.30 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1x2n n THR 47 Cb 0.99 0.14 0.03 0.00 -2.10 0.00 0.00 70.33 69.40 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 -2.06 -5.11 -4.56 3.42 5.15 0.50 -4.39 115.26 108.22 1x2n n ASN 48 Ca 0.01 -0.26 -0.24 0.00 -0.60 0.00 0.00 54.58 53.49 1x2n n ASN 48 Cb 0.46 -3.90 -0.09 0.00 -0.53 0.00 0.00 39.78 35.72 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 -5.31 2.83 0.25 1.20 1.43 0.28 -4.97 118.68 114.40 1x2n s LEU 49 Ca 0.28 -0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 52.23 1x2n s LEU 49 Cb -0.12 -1.28 -0.08 0.00 0.03 0.00 0.00 46.19 44.74 1x2n s LEU 49 CO 0.34 -0.07 0.73 0.42 0.23 0.00 0.00 176.35 178.00 1x2n s THR 50 N -2.49 4.61 0.31 5.49 -4.23 -1.26 -4.43 115.64 113.64 1x2n s THR 50 Ca 0.32 1.18 0.18 0.00 -1.18 0.00 0.00 61.69 62.18 1x2n s THR 50 Cb -0.03 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.32 1x2n s THR 50 CO 0.17 0.09 1.31 0.18 -0.54 0.00 0.00 174.62 175.84 1x2n n LEU 51 N 0.40 0.29 0.13 4.79 7.99 -1.26 0.11 117.00 129.44 1x2n n LEU 51 Ca -0.01 1.37 -0.14 0.00 -0.01 0.00 0.00 56.01 57.23 1x2n n LEU 51 Cb 0.52 -0.67 -0.08 0.00 -0.11 0.00 0.00 43.42 43.08 1x2n n LEU 51 CO 0.43 -1.53 0.68 0.25 -1.51 0.00 0.00 177.39 175.70 1x2n h LEU 52 N 0.00 -0.25 0.74 2.23 6.46 -1.97 -1.76 115.31 120.77 1x2n h LEU 52 Ca 0.71 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 58.30 1x2n h LEU 52 Cb 1.89 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.88 1x2n h LEU 52 CO -0.63 0.00 -0.49 1.56 -0.62 0.00 0.00 178.44 178.26 1x2n h GLN 53 N -0.50 -1.12 -1.02 1.25 4.20 0.54 0.91 115.11 119.37 1x2n h GLN 53 Ca -0.03 0.08 0.26 0.00 0.06 0.00 0.00 58.65 59.02 1x2n h GLN 53 Cb 0.37 0.26 -0.12 0.00 0.30 0.00 0.00 27.48 28.29 1x2n h GLN 53 CO 0.05 -0.75 0.62 0.28 -0.67 0.00 0.00 178.83 178.36 1x2n h VAL 54 N -1.17 0.51 0.39 -0.54 2.07 -1.26 -0.85 116.25 115.41 1x2n h VAL 54 Ca -0.10 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1x2n h VAL 54 Cb 0.95 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1x2n h VAL 54 CO 0.07 0.09 -0.19 0.78 0.02 0.00 0.00 177.57 178.35 1x2n h ASN 55 N 0.51 -0.45 -0.23 0.57 2.35 -0.85 -2.82 115.58 114.65 1x2n h ASN 55 Ca 0.64 -0.12 0.04 0.00 -0.55 0.00 0.00 56.30 56.31 1x2n h ASN 55 Cb 1.36 0.12 -0.07 0.00 0.05 0.00 0.00 38.32 39.77 1x2n h ASN 55 CO -0.44 -0.03 -0.54 0.78 -1.65 0.00 0.00 177.43 175.55 1x2n h ASN 56 N -0.96 -1.74 -0.55 5.81 -0.26 0.13 0.10 115.58 118.11 1x2n h ASN 56 Ca -0.05 0.22 0.09 0.00 -0.56 0.00 0.00 56.30 55.99 1x2n h ASN 56 Cb 0.54 0.69 -0.11 0.00 -1.06 0.00 0.00 38.32 38.39 1x2n h ASN 56 CO 0.09 -0.45 -0.41 -0.25 -1.06 0.00 0.00 177.43 175.35 1x2n h TRP 57 N -0.51 -1.18 0.35 1.19 7.01 -1.30 0.98 115.95 122.50 1x2n h TRP 57 Ca 0.05 0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1x2n h TRP 57 Cb 0.65 0.59 -0.03 0.00 -2.10 0.00 0.00 29.16 28.27 1x2n h TRP 57 CO -0.63 -0.42 -0.47 0.74 -2.79 0.00 0.00 178.44 174.88 1x2n h PHE 58 N -0.23 -1.31 -0.98 2.65 0.04 -1.10 0.40 116.94 116.41 1x2n h PHE 58 Ca 0.19 0.02 0.25 0.00 2.80 0.00 0.00 57.97 61.23 1x2n h PHE 58 Cb 0.56 0.52 -0.13 0.00 2.20 0.00 0.00 35.95 39.11 1x2n h PHE 58 CO -0.67 -0.61 0.54 0.82 -0.60 0.00 0.00 178.31 177.79 1x2n h ILE 59 N -0.86 0.48 -0.13 -0.55 2.04 -0.09 0.32 117.51 118.72 1x2n h ILE 59 Ca -0.03 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.46 1x2n h ILE 59 Cb 0.79 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1x2n h ILE 59 CO -0.13 0.09 -0.72 0.78 0.00 0.00 0.00 178.15 178.16 1x2n h ASN 60 N 0.49 0.73 -0.12 1.72 2.35 -0.06 -1.17 115.58 119.52 1x2n h ASN 60 Ca 0.64 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1x2n h ASN 60 Cb 1.26 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 1x2n h ASN 60 CO -0.51 1.23 0.02 0.00 -1.65 0.00 0.00 177.43 176.52 1x2n h ALA 61 N 0.76 0.15 0.00 -0.83 0.00 0.32 0.35 119.26 120.02 1x2n h ALA 61 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1x2n h ALA 61 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1x2n h ALA 61 CO 0.14 -0.20 -0.30 0.07 0.00 0.00 0.00 179.25 178.96 1x2n h ARG 62 N -0.03 0.00 0.24 0.00 -0.00 -0.69 -2.62 114.38 111.29 1x2n h ARG 62 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.68 1x2n h ARG 62 Cb 0.28 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.28 1x2n h ARG 62 CO 0.00 0.30 -1.52 0.00 -0.00 0.00 0.00 179.97 178.74 1x2n h ARG 63 N 0.00 0.50 -0.23 0.08 3.08 -0.99 -2.58 114.38 114.24 1x2n h ARG 63 Ca -0.00 -0.86 -0.08 0.00 0.07 0.00 0.00 59.98 59.10 1x2n h ARG 63 Cb 0.84 0.32 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1x2n h ARG 63 CO 0.04 1.41 -0.22 0.07 -1.07 0.00 0.00 179.97 180.20 1x2n h ARG 64 N 0.14 0.43 0.06 0.04 0.11 -0.24 -2.35 114.38 112.56 1x2n h ARG 64 Ca -0.27 -0.15 -0.28 0.00 0.10 0.00 0.00 59.98 59.39 1x2n h ARG 64 Cb 2.15 -0.03 0.02 0.00 1.11 0.00 0.00 29.97 33.22 1x2n h ARG 64 CO 0.26 0.63 -1.14 -0.84 0.10 0.00 0.00 179.97 178.98 1x2n h ILE 65 N 0.38 1.30 0.02 0.08 3.07 -1.56 -3.32 117.51 117.48 1x2n h ILE 65 Ca 0.06 -2.39 -0.00 0.00 1.55 0.00 0.00 64.86 64.08 1x2n h ILE 65 Cb 0.60 2.55 -0.00 0.00 -0.27 0.00 0.00 36.82 39.70 1x2n h ILE 65 CO 0.04 0.73 -0.01 -0.07 -1.05 0.00 0.00 178.15 177.79 1x2n h LEU 66 N 0.31 -0.03 -8.94 0.16 3.38 -1.32 -3.40 115.31 105.47 1x2n h LEU 66 Ca -0.15 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.24 1x2n h LEU 66 Cb 1.80 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.54 1x2n h LEU 66 CO 0.22 -0.02 1.29 -1.58 0.09 0.00 0.00 178.44 178.44 1x2n s GLN 67 N -6.19 3.42 -0.08 1.13 -0.44 -0.90 -4.91 119.66 111.69 1x2n s GLN 67 Ca -0.13 1.64 -0.32 0.00 -2.50 0.00 0.00 55.36 54.05 1x2n s GLN 67 Cb 0.06 -4.20 0.12 0.00 -1.64 0.00 0.00 33.01 27.35 1x2n s GLN 67 CO 0.66 -1.76 1.09 0.45 0.50 0.00 0.00 175.29 176.23 1x2n s SER 68 N 6.10 -0.20 0.00 6.67 0.15 -1.26 -4.93 113.70 120.22 1x2n s SER 68 Ca 0.83 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1x2n s SER 68 Cb -0.26 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1x2n s SER 68 CO 0.34 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x2n n GLY 69 N -0.22 2.54 0.00 9.45 0.00 -1.26 -4.90 105.19 110.79 1x2n n GLY 69 Ca -0.04 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.52 1.61 -0.04 -1.26 -4.15 135.00 128.13 1x2n n PRO 70 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1x2n n PRO 70 Cb 0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.99 6.09 -1.43 3.54 0.01 -1.26 -4.40 113.70 114.26 1x2n s SER 71 Ca 0.23 0.06 -0.06 0.00 1.31 0.00 0.00 55.95 57.49 1x2n s SER 71 Cb 0.11 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 64.23 1x2n s SER 71 CO 0.18 -0.10 0.73 -0.24 0.41 0.00 0.00 173.24 174.21 1x2n n SER 72 N 5.15 -2.25 -0.50 2.44 2.88 -1.26 -5.14 113.62 114.94 1x2n n SER 72 Ca -0.12 -0.87 0.06 0.00 -1.33 0.00 0.00 58.87 56.61 1x2n n SER 72 Cb 0.51 -3.66 0.05 0.00 -0.75 0.00 0.00 64.21 60.37 1x2n n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42