#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 6.68 -1.79 1.61 0.01 -1.26 -4.30 113.70 114.65 1x2n s SER 2 Ca 0.00 0.82 -0.18 0.00 1.31 0.00 0.00 55.95 57.89 1x2n s SER 2 Cb 0.00 -2.19 0.18 0.00 0.21 0.00 0.00 66.02 64.21 1x2n s SER 2 CO 0.00 0.33 0.51 -0.24 0.41 0.00 0.00 173.24 174.25 1x2n n SER 3 N 1.74 -1.48 0.00 2.44 2.88 -1.26 -4.36 113.62 113.59 1x2n n SER 3 Ca -0.15 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1x2n n SER 3 Cb 0.53 -1.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.18 1x2n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2n n GLY 4 N -1.42 -0.15 3.61 0.46 0.00 -1.26 -4.96 105.19 101.46 1x2n n GLY 4 Ca 0.02 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1x2n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2n s SER 5 N -4.00 1.00 -0.03 1.61 1.04 -1.26 -4.67 113.70 107.39 1x2n s SER 5 Ca 0.00 0.62 0.03 0.00 0.48 0.00 0.00 55.95 57.08 1x2n s SER 5 Cb 0.00 -0.86 -0.00 0.00 0.10 0.00 0.00 66.02 65.26 1x2n s SER 5 CO 0.00 -4.07 -0.13 -0.55 0.98 0.00 0.00 173.24 169.47 1x2n s SER 6 N -3.93 1.63 0.00 7.02 0.15 -1.26 -4.78 113.70 112.53 1x2n s SER 6 Ca 0.71 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.10 1x2n s SER 6 Cb -0.09 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1x2n s SER 6 CO 0.56 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1x2n n GLY 7 N 3.14 0.70 3.37 9.45 0.00 -1.26 -5.09 105.19 115.50 1x2n n GLY 7 Ca -0.17 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.49 2.92 0.12 1.61 2.20 -1.26 -5.06 119.74 119.78 1x2n s LYS 8 Ca 0.00 -1.36 -0.30 0.00 -0.36 0.00 0.00 55.97 53.95 1x2n s LYS 8 Cb 0.00 -4.07 -0.06 0.00 -1.51 0.00 0.00 37.83 32.19 1x2n s LYS 8 CO 0.00 -1.01 1.04 -0.80 -0.36 0.00 0.00 175.35 174.22 1x2n s ASN 9 N 2.51 7.36 -0.26 1.43 0.01 -1.26 -4.96 114.94 119.77 1x2n s ASN 9 Ca 0.04 1.91 -0.08 0.00 -0.71 0.00 0.00 52.86 54.02 1x2n s ASN 9 Cb -0.24 -2.59 -0.15 0.00 0.41 0.00 0.00 41.25 38.68 1x2n s ASN 9 CO 0.06 -0.18 -0.23 1.17 -1.51 0.00 0.00 177.10 176.40 1x2n n LYS 10 N 2.87 0.62 -3.46 -0.60 4.81 -1.26 -5.02 118.16 116.12 1x2n n LYS 10 Ca 0.04 0.24 -0.21 0.00 -0.87 0.00 0.00 58.31 57.50 1x2n n LYS 10 Cb 0.48 -1.53 0.07 0.00 0.02 0.00 0.00 35.03 34.07 1x2n n LYS 10 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x2n n ARG 11 N -3.82 -7.04 -4.50 1.64 5.12 -1.26 -5.01 116.66 101.79 1x2n n ARG 11 Ca -0.49 0.75 -0.21 0.00 -1.93 0.00 0.00 57.85 55.97 1x2n n ARG 11 Cb 0.93 -5.55 -0.15 0.00 -1.16 0.00 0.00 32.46 26.52 1x2n n ARG 11 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x2n s GLY 12 N -3.41 0.60 0.31 -0.13 0.00 -1.26 -5.14 107.32 98.28 1x2n s GLY 12 Ca 0.46 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1x2n s GLY 12 CO 0.66 -0.23 0.68 -1.34 0.00 0.00 0.00 173.10 172.87 1x2n s VAL 13 N 0.03 4.77 0.21 1.40 -7.23 -1.26 -5.10 120.40 113.22 1x2n s VAL 13 Ca -0.01 0.74 0.11 0.00 -1.81 0.00 0.00 61.98 61.01 1x2n s VAL 13 Cb -0.08 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1x2n s VAL 13 CO 0.00 -0.20 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.65 1x2n s LEU 14 N -3.07 2.64 0.17 1.32 1.43 -1.26 -5.11 118.68 114.81 1x2n s LEU 14 Ca 0.52 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 1x2n s LEU 14 Cb -0.10 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.72 1x2n s LEU 14 CO 0.21 0.10 1.32 -2.16 0.23 0.00 0.00 176.35 176.04 1x2n s PRO 15 N -2.91 4.38 0.41 1.29 0.04 -1.26 -4.85 135.00 132.10 1x2n s PRO 15 Ca 0.24 2.04 0.29 0.00 0.04 0.00 0.00 61.00 63.61 1x2n s PRO 15 Cb -0.08 -3.21 1.40 0.00 0.04 0.00 0.00 34.50 32.65 1x2n s PRO 15 CO 0.13 -0.29 1.50 0.36 0.04 0.00 0.00 177.00 178.73 1x2n n LYS 16 N 2.97 -0.04 -0.14 4.56 2.85 -1.26 0.13 118.16 127.22 1x2n n LYS 16 Ca 0.07 1.23 -0.04 0.00 -1.05 0.00 0.00 58.31 58.52 1x2n n LYS 16 Cb 0.43 -2.36 0.05 0.00 -0.65 0.00 0.00 35.03 32.49 1x2n n LYS 16 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1x2n h HIS 17 N 0.00 0.22 -0.09 5.58 2.76 -1.98 0.40 115.15 122.04 1x2n h HIS 17 Ca 0.84 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 59.02 1x2n h HIS 17 Cb 2.59 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 31.52 1x2n h HIS 17 CO -0.01 0.05 0.01 0.00 -1.30 0.00 0.00 177.93 176.68 1x2n h ALA 18 N 1.33 0.12 0.00 5.26 0.00 0.73 -2.85 119.26 123.85 1x2n h ALA 18 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1x2n h ALA 18 Cb 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x2n h ALA 18 CO -0.26 -0.21 -0.10 1.79 0.00 0.00 0.00 179.25 180.47 1x2n h THR 19 N -0.11 0.79 0.87 0.00 1.35 -1.09 -2.90 112.91 111.82 1x2n h THR 19 Ca 0.03 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.46 1x2n h THR 19 Cb 0.32 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1x2n h THR 19 CO 0.00 0.10 -0.45 0.78 -0.25 0.00 0.00 175.52 175.70 1x2n h ASN 20 N 0.00 -1.09 0.51 5.36 2.35 0.04 0.24 115.58 122.98 1x2n h ASN 20 Ca -0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1x2n h ASN 20 Cb 0.22 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1x2n h ASN 20 CO 0.01 -0.74 -0.51 0.58 -1.65 0.00 0.00 177.43 175.12 1x2n h VAL 21 N -1.21 0.01 -0.66 2.81 2.07 -1.49 -1.36 116.25 116.42 1x2n h VAL 21 Ca -0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1x2n h VAL 21 Cb 0.94 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 30.62 1x2n h VAL 21 CO 0.18 0.00 0.12 0.24 0.02 0.00 0.00 177.57 178.12 1x2n h MET 22 N -1.02 0.22 0.30 1.57 2.86 -1.56 -1.75 114.93 115.56 1x2n h MET 22 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1x2n h MET 22 Cb 0.88 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1x2n h MET 22 CO -0.06 0.15 -0.44 0.00 1.06 0.00 0.00 176.91 177.62 1x2n h ARG 23 N 0.23 -0.75 -0.50 1.72 3.08 -0.16 0.18 114.38 118.18 1x2n h ARG 23 Ca 0.35 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.55 1x2n h ARG 23 Cb 0.57 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.69 1x2n h ARG 23 CO -0.47 -0.50 -0.35 1.03 -1.07 0.00 0.00 179.97 178.61 1x2n h SER 24 N -0.78 -1.18 0.16 7.04 0.87 -0.76 0.18 113.55 119.09 1x2n h SER 24 Ca -0.04 0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1x2n h SER 24 Cb 0.71 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1x2n h SER 24 CO -0.13 -0.32 -0.32 -0.25 -0.53 0.00 0.00 176.83 175.28 1x2n h TRP 25 N -0.22 -0.87 -0.71 2.24 7.01 -1.09 -0.55 115.95 121.76 1x2n h TRP 25 Ca 0.20 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.37 1x2n h TRP 25 Cb 0.55 0.36 -0.11 0.00 -2.10 0.00 0.00 29.16 27.86 1x2n h TRP 25 CO -0.60 -0.43 0.08 1.25 -2.79 0.00 0.00 178.44 175.95 1x2n h LEU 26 N -0.57 -0.17 -0.43 0.65 5.85 0.22 0.20 115.31 121.07 1x2n h LEU 26 Ca 0.02 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1x2n h LEU 26 Cb 0.58 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1x2n h LEU 26 CO -0.16 -0.10 0.25 -0.26 -0.34 0.00 0.00 178.44 177.83 1x2n h PHE 27 N 0.18 0.58 -0.45 1.25 0.04 -0.46 0.62 116.94 118.69 1x2n h PHE 27 Ca 0.39 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 61.20 1x2n h PHE 27 Cb 0.67 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1x2n h PHE 27 CO -0.33 0.42 0.30 1.96 -0.60 0.00 0.00 178.31 180.06 1x2n h GLN 28 N 0.56 0.42 -0.32 1.51 1.08 0.59 -2.09 115.11 116.86 1x2n h GLN 28 Ca 0.15 -0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.11 1x2n h GLN 28 Cb 0.03 -0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 27.21 1x2n h GLN 28 CO -0.03 0.28 -0.44 0.72 -0.95 0.00 0.00 178.83 178.41 1x2n n HIS 29 N -4.48 1.12 -0.29 2.96 8.25 -0.38 -4.81 115.22 117.60 1x2n n HIS 29 Ca 0.05 -1.78 0.11 0.00 -0.26 0.00 0.00 57.72 55.85 1x2n n HIS 29 Cb 0.21 -0.38 0.26 0.00 1.12 0.00 0.00 29.99 31.20 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 1.32 0.32 -0.58 1.59 6.09 0.96 0.14 117.51 127.35 1x2n h ILE 30 Ca 0.18 -0.06 0.08 0.00 -1.37 0.00 0.00 64.86 63.68 1x2n h ILE 30 Cb 1.29 0.12 -0.06 0.00 0.47 0.00 0.00 36.82 38.64 1x2n h ILE 30 CO 0.36 0.03 0.24 1.23 -3.07 0.00 0.00 178.15 176.94 1x2n h GLY 31 N 0.18 0.81 -6.65 8.18 0.00 -1.85 -3.33 103.07 100.41 1x2n h GLY 31 Ca 0.52 -0.14 -0.60 0.00 0.00 0.00 0.00 47.33 47.11 1x2n h GLY 31 CO -0.66 0.02 -0.83 -1.58 0.00 0.00 0.00 176.54 173.49 1x2n s HIS 32 N -6.10 1.80 -1.15 5.60 5.65 0.41 -5.05 115.29 116.45 1x2n s HIS 32 Ca -0.13 -2.53 -0.23 0.00 0.25 0.00 0.00 55.06 52.42 1x2n s HIS 32 Cb 0.16 -1.50 -0.10 0.00 -1.18 0.00 0.00 32.58 29.96 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 2.83 1.59 -3.65 2.88 -0.04 -0.68 -4.84 135.00 133.09 1x2n n PRO 33 Ca 0.23 -2.42 -0.27 0.00 -0.04 0.00 0.00 63.50 60.99 1x2n n PRO 33 Cb 0.42 -3.67 -0.16 0.00 -0.04 0.00 0.00 33.50 30.05 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 10.58 0.61 0.26 0.54 1.51 -1.26 -5.00 117.35 124.59 1x2n s TYR 34 Ca 0.67 -0.72 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1x2n s TYR 34 Cb 0.01 -0.93 -0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1x2n s TYR 34 CO 0.14 -0.64 1.27 -1.25 -1.11 0.00 0.00 175.55 173.96 1x2n s PRO 35 N 2.00 4.43 0.25 -1.71 0.04 -1.26 -5.02 135.00 133.73 1x2n s PRO 35 Ca 0.03 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 1x2n s PRO 35 Cb -0.16 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1x2n s PRO 35 CO -0.15 -0.14 0.79 0.95 0.04 0.00 0.00 177.00 178.48 1x2n s THR 36 N -0.53 4.47 0.35 1.26 -4.23 -1.26 -4.84 115.64 110.86 1x2n s THR 36 Ca 0.52 1.43 0.29 0.00 -1.18 0.00 0.00 61.69 62.74 1x2n s THR 36 Cb -0.37 -3.89 0.43 0.00 1.34 0.00 0.00 72.50 70.02 1x2n s THR 36 CO 0.43 0.17 1.10 -0.62 -0.54 0.00 0.00 174.62 175.17 1x2n n GLU 37 N 0.64 -0.01 -0.05 3.99 4.71 -1.26 0.13 120.64 128.78 1x2n n GLU 37 Ca -0.01 0.83 -0.09 0.00 -0.01 0.00 0.00 57.16 57.89 1x2n n GLU 37 Cb 0.51 -1.76 -0.08 0.00 -1.01 0.00 0.00 31.44 29.10 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1x2n h ASP 38 N 0.00 -0.02 -1.01 1.62 3.32 -2.00 -3.26 116.42 115.07 1x2n h ASP 38 Ca 0.64 -0.57 0.31 0.00 0.02 0.00 0.00 57.03 57.44 1x2n h ASP 38 Cb 2.31 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 41.72 1x2n h ASP 38 CO -0.19 0.75 0.58 -0.33 -1.72 0.00 0.00 179.24 178.33 1x2n h GLU 39 N -0.98 0.35 -0.70 3.56 4.39 0.68 0.60 114.58 122.48 1x2n h GLU 39 Ca -0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1x2n h GLU 39 Cb 0.59 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1x2n h GLU 39 CO 0.00 0.23 0.37 0.87 -1.16 0.00 0.00 179.01 179.33 1x2n h LYS 40 N 0.36 0.99 0.08 2.33 1.57 -1.41 0.24 116.57 120.73 1x2n h LYS 40 Ca 0.72 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1x2n h LYS 40 Cb 1.62 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1x2n h LYS 40 CO -0.57 0.75 -0.04 0.87 -0.57 0.00 0.00 179.45 179.89 1x2n h LYS 41 N 0.96 -0.10 -0.17 3.15 1.57 -0.03 -2.39 116.57 119.56 1x2n h LYS 41 Ca 0.24 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1x2n h LYS 41 Cb 0.06 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1x2n h LYS 41 CO -0.04 0.46 -0.05 1.96 -0.57 0.00 0.00 179.45 181.21 1x2n h GLN 42 N -0.80 -0.01 0.57 3.15 4.20 -0.52 -3.01 115.11 118.70 1x2n h GLN 42 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1x2n h GLN 42 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1x2n h GLN 42 CO 0.02 -0.00 -0.41 0.82 -0.67 0.00 0.00 178.83 178.58 1x2n h ILE 43 N -0.01 0.16 -1.00 2.54 2.04 -0.63 -2.23 117.51 118.38 1x2n h ILE 43 Ca 0.08 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.30 1x2n h ILE 43 Cb 0.13 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 36.27 1x2n h ILE 43 CO -0.18 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.60 1x2n n ALA 44 N -2.67 1.00 -0.03 1.87 0.00 -0.90 0.18 120.51 119.95 1x2n n ALA 44 Ca -0.12 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 1x2n n ALA 44 Cb 0.42 -0.79 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 1.24 0.04 -0.74 0.00 0.00 -1.34 1.63 119.26 120.08 1x2n h ALA 45 Ca 0.66 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1x2n h ALA 45 Cb 2.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1x2n h ALA 45 CO -0.38 -0.03 0.37 1.96 0.00 0.00 0.00 179.25 181.17 1x2n h GLN 46 N -0.54 1.05 0.00 0.00 1.08 0.21 -2.61 115.11 114.30 1x2n h GLN 46 Ca -0.01 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1x2n h GLN 46 Cb 0.83 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1x2n h GLN 46 CO 0.03 0.80 -1.07 0.25 -0.95 0.00 0.00 178.83 177.88 1x2n n THR 47 N -4.33 0.11 -2.26 -0.54 -2.24 0.71 -4.87 114.28 100.86 1x2n n THR 47 Ca 0.07 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1x2n n THR 47 Cb 0.13 0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 -4.36 -4.77 3.42 2.85 0.52 -4.64 115.26 106.41 1x2n n ASN 48 Ca 0.02 -0.01 -0.22 0.00 -0.11 0.00 0.00 54.58 54.26 1x2n n ASN 48 Cb 0.42 -3.52 -0.05 0.00 1.24 0.00 0.00 39.78 37.87 1x2n n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1x2n s LEU 49 N -4.09 3.60 0.23 1.20 1.43 0.91 -4.97 118.68 116.99 1x2n s LEU 49 Ca 0.00 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1x2n s LEU 49 Cb 0.00 -2.13 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1x2n s LEU 49 CO 0.00 -0.04 0.68 0.42 0.23 0.00 0.00 176.35 177.64 1x2n s THR 50 N -2.21 4.67 0.33 5.49 -4.23 -1.26 -4.38 115.64 114.05 1x2n s THR 50 Ca 0.33 1.08 0.21 0.00 -1.18 0.00 0.00 61.69 62.13 1x2n s THR 50 Cb -0.07 -3.77 0.34 0.00 1.34 0.00 0.00 72.50 70.34 1x2n s THR 50 CO 0.23 0.12 1.28 0.18 -0.54 0.00 0.00 174.62 175.90 1x2n n LEU 51 N 0.47 0.23 0.05 4.79 7.99 -1.26 0.15 117.00 129.42 1x2n n LEU 51 Ca -0.02 1.26 -0.13 0.00 -0.01 0.00 0.00 56.01 57.11 1x2n n LEU 51 Cb 0.52 -0.61 -0.09 0.00 -0.11 0.00 0.00 43.42 43.13 1x2n n LEU 51 CO 0.43 -1.39 0.70 0.25 -1.51 0.00 0.00 177.39 175.87 1x2n h LEU 52 N 0.00 -0.09 0.79 2.23 5.85 -1.98 -2.16 115.31 119.96 1x2n h LEU 52 Ca 0.71 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 59.15 1x2n h LEU 52 Cb 2.05 0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1x2n h LEU 52 CO -0.52 0.20 -0.44 1.56 -0.34 0.00 0.00 178.44 178.90 1x2n h GLN 53 N -0.38 -1.10 -1.03 1.25 4.20 0.99 0.60 115.11 119.65 1x2n h GLN 53 Ca -0.01 0.08 0.27 0.00 0.06 0.00 0.00 58.65 59.04 1x2n h GLN 53 Cb 0.32 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.23 1x2n h GLN 53 CO 0.02 -0.74 0.62 0.28 -0.67 0.00 0.00 178.83 178.34 1x2n h VAL 54 N -1.15 0.48 0.38 -0.54 2.07 -1.31 -0.30 116.25 115.89 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 0.91 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1x2n h VAL 54 CO 0.13 0.09 -0.18 0.78 0.02 0.00 0.00 177.57 178.41 1x2n h ASN 55 N 0.48 -0.43 -0.58 0.57 2.35 -1.00 -2.73 115.58 114.24 1x2n h ASN 55 Ca 0.65 -0.12 0.11 0.00 -0.55 0.00 0.00 56.30 56.39 1x2n h ASN 55 Cb 1.41 0.11 -0.11 0.00 0.05 0.00 0.00 38.32 39.78 1x2n h ASN 55 CO -0.45 0.01 -0.21 0.78 -1.65 0.00 0.00 177.43 175.91 1x2n h ASN 56 N -0.99 -0.74 -0.19 5.81 2.35 0.08 0.25 115.58 122.15 1x2n h ASN 56 Ca -0.05 0.19 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1x2n h ASN 56 Cb 0.53 0.43 -0.06 0.00 0.05 0.00 0.00 38.32 39.27 1x2n h ASN 56 CO 0.08 -0.24 -0.17 -0.25 -1.65 0.00 0.00 177.43 175.20 1x2n h TRP 57 N -0.07 -0.45 0.74 1.19 7.01 -1.16 -1.96 115.95 121.26 1x2n h TRP 57 Ca 0.27 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.26 1x2n h TRP 57 Cb 0.48 0.23 0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1x2n h TRP 57 CO -0.53 -0.25 -0.37 0.74 -2.79 0.00 0.00 178.44 175.25 1x2n h PHE 58 N -0.19 -0.95 -1.10 2.65 0.04 -0.87 0.77 116.94 117.28 1x2n h PHE 58 Ca 0.12 -0.02 0.39 0.00 2.80 0.00 0.00 57.97 61.26 1x2n h PHE 58 Cb 0.37 0.32 -0.15 0.00 2.20 0.00 0.00 35.95 38.68 1x2n h PHE 58 CO -0.32 -0.59 0.65 0.82 -0.60 0.00 0.00 178.31 178.27 1x2n h ILE 59 N -1.01 0.13 0.00 -0.55 2.04 -0.36 0.86 117.51 118.62 1x2n h ILE 59 Ca -0.10 -0.04 -0.27 0.00 1.00 0.00 0.00 64.86 65.44 1x2n h ILE 59 Cb 0.78 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1x2n h ILE 59 CO 0.16 0.02 -1.55 -1.13 0.00 0.00 0.00 178.15 175.65 1x2n h ASN 60 N 0.13 0.00 0.01 1.72 -0.73 -0.97 -3.33 115.58 112.41 1x2n h ASN 60 Ca 0.80 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.97 1x2n h ASN 60 Cb 2.17 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.76 1x2n h ASN 60 CO -0.61 0.99 -0.00 0.00 -0.37 0.00 0.00 177.43 177.43 1x2n h ALA 61 N 1.01 1.39 0.14 1.57 0.00 0.75 -0.69 119.26 123.44 1x2n h ALA 61 Ca -0.23 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.38 1x2n h ALA 61 Cb 1.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1x2n h ALA 61 CO 0.09 0.00 -1.47 0.00 0.00 0.00 0.00 179.25 177.87 1x2n h ARG 62 N 0.00 0.30 0.00 0.00 3.08 -1.35 -3.08 114.38 113.34 1x2n h ARG 62 Ca -0.00 -0.52 -0.10 0.00 0.07 0.00 0.00 59.98 59.43 1x2n h ARG 62 Cb 0.01 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x2n h ARG 62 CO 0.00 1.20 -0.50 0.00 -1.07 0.00 0.00 179.97 179.60 1x2n h ARG 63 N 0.08 0.00 0.01 0.04 -0.00 -1.42 -0.68 114.38 112.42 1x2n h ARG 63 Ca -0.23 0.00 -0.21 0.00 -0.50 0.00 0.00 59.98 59.05 1x2n h ARG 63 Cb 2.03 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.99 1x2n h ARG 63 CO 0.19 0.50 -0.92 0.07 0.00 0.00 0.00 179.97 179.81 1x2n h ARG 64 N 0.00 0.20 0.15 0.04 0.11 -1.25 -1.96 114.38 111.67 1x2n h ARG 64 Ca -0.00 -0.24 -0.26 0.00 0.10 0.00 0.00 59.98 59.57 1x2n h ARG 64 Cb 1.08 0.07 0.01 0.00 1.11 0.00 0.00 29.97 32.25 1x2n h ARG 64 CO 0.06 0.99 -1.25 -0.84 0.10 0.00 0.00 179.97 179.03 1x2n h ILE 65 N 0.11 1.23 -0.35 0.08 3.07 -1.46 -3.36 117.51 116.82 1x2n h ILE 65 Ca -0.05 -2.51 -0.05 0.00 1.55 0.00 0.00 64.86 63.80 1x2n h ILE 65 Cb 1.57 2.94 -0.01 0.00 -0.27 0.00 0.00 36.82 41.05 1x2n h ILE 65 CO 0.14 0.74 0.02 -0.07 -1.05 0.00 0.00 178.15 177.94 1x2n h LEU 66 N -0.22 0.59 -9.20 0.16 -0.00 -1.22 -3.42 115.31 102.00 1x2n h LEU 66 Ca -0.24 -0.29 -0.55 0.00 -0.00 0.00 0.00 57.88 56.79 1x2n h LEU 66 Cb 1.82 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 42.31 1x2n h LEU 66 CO 0.14 0.73 1.10 -1.58 -0.00 0.00 0.00 178.44 178.83 1x2n s GLN 67 N -5.07 4.06 0.05 1.13 2.00 -0.74 -4.89 119.66 116.21 1x2n s GLN 67 Ca -0.13 2.05 -0.29 0.00 -2.00 0.00 0.00 55.36 54.99 1x2n s GLN 67 Cb 0.09 -4.00 -0.15 0.00 0.80 0.00 0.00 33.01 29.74 1x2n s GLN 67 CO 0.77 -0.98 0.72 -1.13 -0.50 0.00 0.00 175.29 174.17 1x2n n SER 68 N 7.55 -0.35 0.00 6.67 3.41 -1.26 -4.71 113.62 124.94 1x2n n SER 68 Ca 0.18 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1x2n n SER 68 Cb 0.43 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1x2n n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2n n GLY 69 N 1.35 -1.83 0.00 5.00 0.00 -1.26 -4.95 105.19 103.51 1x2n n GLY 69 Ca 0.16 0.77 0.07 0.00 0.00 0.00 0.00 46.02 47.02 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 0.28 -4.15 1.61 -0.04 -1.26 -4.66 135.00 126.78 1x2n n PRO 70 Ca 0.00 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 1x2n n PRO 70 Cb 0.00 -1.50 -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 0.45 -0.04 0.00 0.00 175.50 175.91 1x2n s SER 71 N -2.42 5.46 -0.11 3.54 0.15 -1.26 -5.02 113.70 114.04 1x2n s SER 71 Ca 0.16 0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 1x2n s SER 71 Cb 0.10 -1.82 -0.10 0.00 -1.71 0.00 0.00 66.02 62.48 1x2n s SER 71 CO 0.21 0.25 0.35 0.28 1.20 0.00 0.00 173.24 175.53 1x2n h SER 72 N 6.16 -0.03 0.00 5.45 0.02 -2.03 -3.48 113.55 119.64 1x2n h SER 72 Ca -0.41 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1x2n h SER 72 Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1x2n h SER 72 CO 0.64 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.58