#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 -3.08 -4.32 1.61 7.64 -1.26 -4.97 113.62 109.24 1x2n n SER 2 Ca 0.00 -0.75 -0.34 0.00 1.01 0.00 0.00 58.87 58.79 1x2n n SER 2 Cb 0.00 -4.23 -0.14 0.00 -1.01 0.00 0.00 64.21 58.83 1x2n n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x2n s SER 3 N -3.89 4.09 -0.37 6.43 1.04 -1.26 -5.01 113.70 114.73 1x2n s SER 3 Ca 0.29 -0.38 0.13 0.00 0.48 0.00 0.00 55.95 56.47 1x2n s SER 3 Cb -0.14 -1.66 0.39 0.00 0.10 0.00 0.00 66.02 64.70 1x2n s SER 3 CO 0.80 0.06 0.94 0.61 0.98 0.00 0.00 173.24 176.63 1x2n n GLY 4 N 4.22 2.18 3.60 7.32 0.00 -1.26 -5.09 105.19 116.17 1x2n n GLY 4 Ca -0.18 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.35 5.95 0.09 1.61 0.15 -1.26 -4.97 113.70 112.92 1x2n s SER 5 Ca 0.31 1.39 0.04 0.00 0.70 0.00 0.00 55.95 58.38 1x2n s SER 5 Cb 0.39 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 1x2n s SER 5 CO -0.04 -1.64 -0.11 -0.55 1.20 0.00 0.00 173.24 172.10 1x2n s SER 6 N 5.88 1.51 0.08 5.45 0.15 -1.26 -5.03 113.70 120.47 1x2n s SER 6 Ca 0.80 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x2n s SER 6 Cb -0.23 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1x2n s SER 6 CO 0.33 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1x2n n GLY 7 N 0.76 -1.86 3.71 9.45 0.00 -1.26 -5.04 105.19 110.95 1x2n n GLY 7 Ca -0.17 0.57 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 1x2n n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x2n n LYS 8 N -2.41 -6.39 -4.09 1.61 4.01 -1.26 -4.98 118.16 104.64 1x2n n LYS 8 Ca 0.00 0.71 -0.10 0.00 -0.51 0.00 0.00 58.31 58.41 1x2n n LYS 8 Cb 0.00 -5.62 -0.08 0.00 -0.51 0.00 0.00 35.03 28.82 1x2n n LYS 8 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 1x2n s ASN 9 N -3.65 0.09 0.01 4.39 2.47 -1.26 -5.09 114.94 111.90 1x2n s ASN 9 Ca 0.43 -1.13 0.00 0.00 0.42 0.00 0.00 52.86 52.57 1x2n s ASN 9 Cb -0.20 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.03 1x2n s ASN 9 CO 0.78 -0.91 0.00 1.17 -3.72 0.00 0.00 177.10 174.42 1x2n n LYS 10 N -0.26 0.00 -1.60 0.43 4.81 -1.26 -5.07 118.16 115.21 1x2n n LYS 10 Ca -0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.04 1x2n n LYS 10 Cb 0.64 -0.39 0.04 0.00 0.02 0.00 0.00 35.03 35.35 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 -2.93 0.96 0.00 1.64 1.74 -1.26 -4.89 116.66 111.92 1x2n n ARG 11 Ca 0.00 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1x2n n ARG 11 Cb 0.36 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 1x2n n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x2n n GLY 12 N 1.32 -1.21 3.86 -0.13 0.00 -1.26 -5.17 105.19 102.61 1x2n n GLY 12 Ca 0.12 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 4.66 0.03 1.61 -7.23 -1.26 -5.09 120.40 113.12 1x2n s VAL 13 Ca 0.00 0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 61.09 1x2n s VAL 13 Cb 0.00 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 1x2n s VAL 13 CO 0.00 -0.74 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.26 1x2n s LEU 14 N -4.27 2.32 0.37 1.32 1.43 -1.26 -5.15 118.68 113.45 1x2n s LEU 14 Ca 0.55 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 1x2n s LEU 14 Cb -0.10 0.14 -0.09 0.00 0.03 0.00 0.00 46.19 46.17 1x2n s LEU 14 CO 0.37 -0.40 1.20 -2.16 0.23 0.00 0.00 176.35 175.58 1x2n s PRO 15 N -2.31 4.21 0.38 1.29 0.04 -1.26 -4.84 135.00 132.51 1x2n s PRO 15 Ca -0.08 1.95 0.18 0.00 0.04 0.00 0.00 61.00 63.09 1x2n s PRO 15 Cb -0.04 -2.85 1.14 0.00 0.04 0.00 0.00 34.50 32.79 1x2n s PRO 15 CO -0.04 -0.22 1.69 -0.22 0.04 0.00 0.00 177.00 178.25 1x2n h LYS 16 N 3.00 0.31 -0.92 4.56 3.64 -2.01 0.63 116.57 125.77 1x2n h LYS 16 Ca -0.49 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1x2n h LYS 16 Cb 1.23 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1x2n h LYS 16 CO 0.64 0.21 0.59 1.25 -2.27 0.00 0.00 179.45 179.87 1x2n h HIS 17 N 0.32 1.00 -0.02 1.91 2.76 -1.97 0.30 115.15 119.45 1x2n h HIS 17 Ca 0.70 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.87 1x2n h HIS 17 Cb 1.77 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 30.41 1x2n h HIS 17 CO -0.01 0.45 -0.11 0.00 -1.30 0.00 0.00 177.93 176.96 1x2n h ALA 18 N 1.55 0.04 0.00 5.26 0.00 -0.03 -3.21 119.26 122.87 1x2n h ALA 18 Ca 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x2n h ALA 18 Cb 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1x2n h ALA 18 CO -0.19 -0.04 -0.12 1.79 0.00 0.00 0.00 179.25 180.68 1x2n h THR 19 N -0.50 0.97 0.80 0.00 1.35 -0.97 -2.99 112.91 111.58 1x2n h THR 19 Ca -0.01 -0.43 -0.04 0.00 -0.55 0.00 0.00 66.41 65.39 1x2n h THR 19 Cb 0.77 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1x2n h THR 19 CO 0.02 0.12 -0.45 0.78 -0.25 0.00 0.00 175.52 175.74 1x2n h ASN 20 N 0.00 -1.10 0.19 5.36 2.35 -0.42 0.30 115.58 122.26 1x2n h ASN 20 Ca -0.00 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1x2n h ASN 20 Cb 0.23 0.31 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 1x2n h ASN 20 CO 0.02 -0.71 -0.53 0.58 -1.65 0.00 0.00 177.43 175.13 1x2n h VAL 21 N -1.16 0.00 -0.77 2.81 2.07 -1.56 -0.02 116.25 117.63 1x2n h VAL 21 Ca -0.11 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.54 1x2n h VAL 21 Cb 0.91 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1x2n h VAL 21 CO 0.14 0.00 0.35 0.24 0.02 0.00 0.00 177.57 178.32 1x2n h MET 22 N -0.80 0.52 0.55 1.57 2.86 -1.55 -1.73 114.93 116.35 1x2n h MET 22 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1x2n h MET 22 Cb 0.78 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1x2n h MET 22 CO -0.25 0.35 -0.40 0.00 1.06 0.00 0.00 176.91 177.67 1x2n h ARG 23 N 0.54 -0.87 -0.45 1.72 3.08 0.35 0.46 114.38 119.20 1x2n h ARG 23 Ca 0.41 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.60 1x2n h ARG 23 Cb 0.56 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.72 1x2n h ARG 23 CO -0.35 -0.58 -0.40 1.03 -1.07 0.00 0.00 179.97 178.59 1x2n h SER 24 N -0.91 -1.36 0.02 7.04 0.87 -0.68 -0.09 113.55 118.44 1x2n h SER 24 Ca -0.07 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1x2n h SER 24 Cb 0.75 0.61 -0.05 0.00 -0.44 0.00 0.00 62.40 63.26 1x2n h SER 24 CO 0.03 -0.35 -0.37 -0.25 -0.53 0.00 0.00 176.83 175.36 1x2n h TRP 25 N -0.28 -1.02 -0.66 2.24 7.01 -1.24 -0.33 115.95 121.66 1x2n h TRP 25 Ca 0.16 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.33 1x2n h TRP 25 Cb 0.57 0.45 -0.11 0.00 -2.10 0.00 0.00 29.16 27.96 1x2n h TRP 25 CO -0.62 -0.46 -0.01 1.25 -2.79 0.00 0.00 178.44 175.81 1x2n h LEU 26 N -0.53 -0.31 -0.40 0.65 5.85 -0.08 0.06 115.31 120.54 1x2n h LEU 26 Ca 0.05 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1x2n h LEU 26 Cb 0.61 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1x2n h LEU 26 CO -0.28 -0.14 0.25 -0.26 -0.34 0.00 0.00 178.44 177.67 1x2n h PHE 27 N 0.11 0.48 -0.62 1.25 0.04 -0.33 0.51 116.94 118.37 1x2n h PHE 27 Ca 0.35 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.21 1x2n h PHE 27 Cb 0.58 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 1x2n h PHE 27 CO -0.39 0.29 0.41 1.96 -0.60 0.00 0.00 178.31 179.98 1x2n h GLN 28 N 0.52 0.53 -0.39 1.51 1.08 0.69 -1.74 115.11 117.31 1x2n h GLN 28 Ca 0.15 -0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 57.08 1x2n h GLN 28 Cb -0.04 -0.12 -0.16 0.00 -0.05 0.00 0.00 27.48 27.12 1x2n h GLN 28 CO -0.05 0.35 -0.28 0.72 -0.95 0.00 0.00 178.83 178.62 1x2n n HIS 29 N -4.48 1.28 -0.30 2.96 8.25 -0.45 -4.80 115.22 117.68 1x2n n HIS 29 Ca 0.09 -1.80 0.13 0.00 -0.26 0.00 0.00 57.72 55.89 1x2n n HIS 29 Cb 0.29 -0.46 0.29 0.00 1.12 0.00 0.00 29.99 31.22 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 1.24 0.23 -0.60 1.59 6.09 0.95 0.25 117.51 127.26 1x2n h ILE 30 Ca 0.22 -0.05 0.08 0.00 -1.37 0.00 0.00 64.86 63.75 1x2n h ILE 30 Cb 1.42 0.08 -0.07 0.00 0.47 0.00 0.00 36.82 38.73 1x2n h ILE 30 CO 0.44 0.03 0.25 1.23 -3.07 0.00 0.00 178.15 177.03 1x2n h GLY 31 N 0.14 0.85 -6.61 8.18 0.00 -1.85 -3.33 103.07 100.45 1x2n h GLY 31 Ca 0.56 -0.14 -0.60 0.00 0.00 0.00 0.00 47.33 47.15 1x2n h GLY 31 CO -0.73 0.02 -0.85 -1.58 0.00 0.00 0.00 176.54 173.40 1x2n s HIS 32 N -6.10 1.63 -1.17 5.60 5.65 0.81 -5.05 115.29 116.67 1x2n s HIS 32 Ca -0.13 -2.45 -0.23 0.00 0.25 0.00 0.00 55.06 52.51 1x2n s HIS 32 Cb 0.16 -1.38 -0.09 0.00 -1.18 0.00 0.00 32.58 30.09 1x2n s HIS 32 CO 0.75 -0.77 1.93 -0.35 -0.65 0.00 0.00 174.74 175.65 1x2n n PRO 33 N 2.91 1.59 -3.66 2.88 -0.04 -0.70 -4.84 135.00 133.14 1x2n n PRO 33 Ca 0.23 -2.44 -0.27 0.00 -0.04 0.00 0.00 63.50 60.98 1x2n n PRO 33 Cb 0.42 -3.70 -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 10.82 0.66 0.27 0.54 1.51 -1.26 -4.93 117.35 124.95 1x2n s TYR 34 Ca 0.68 -0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 55.71 1x2n s TYR 34 Cb 0.00 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.81 1x2n s TYR 34 CO 0.14 -0.63 1.26 -1.25 -1.11 0.00 0.00 175.55 173.95 1x2n s PRO 35 N 1.98 4.44 0.18 -1.71 0.04 -1.26 -5.02 135.00 133.65 1x2n s PRO 35 Ca 0.03 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1x2n s PRO 35 Cb -0.17 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 1x2n s PRO 35 CO -0.15 -0.12 0.60 0.95 0.04 0.00 0.00 177.00 178.33 1x2n s THR 36 N -0.64 4.78 0.38 1.26 -4.23 -1.26 -4.84 115.64 111.08 1x2n s THR 36 Ca 0.51 0.92 0.31 0.00 -1.18 0.00 0.00 61.69 62.25 1x2n s THR 36 Cb -0.37 -3.75 0.47 0.00 1.34 0.00 0.00 72.50 70.20 1x2n s THR 36 CO 0.44 0.18 1.20 -0.62 -0.54 0.00 0.00 174.62 175.28 1x2n n GLU 37 N 0.64 -0.02 -0.01 3.99 -0.58 -1.26 0.24 120.64 123.64 1x2n n GLU 37 Ca -0.04 0.90 -0.16 0.00 -0.42 0.00 0.00 57.16 57.44 1x2n n GLU 37 Cb 0.52 -1.90 -0.12 0.00 -0.57 0.00 0.00 31.44 29.36 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 0.31 -0.86 1.62 3.32 -2.00 -3.14 116.42 115.68 1x2n h ASP 38 Ca 0.70 -0.82 0.08 0.00 0.02 0.00 0.00 57.03 57.00 1x2n h ASP 38 Cb 2.51 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 41.89 1x2n h ASP 38 CO -0.20 1.10 0.52 -0.33 -1.72 0.00 0.00 179.24 178.61 1x2n h GLU 39 N -0.43 0.89 -0.52 3.56 4.39 0.26 0.22 114.58 122.94 1x2n h GLU 39 Ca -0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1x2n h GLU 39 Cb 1.18 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 1x2n h GLU 39 CO 0.08 0.59 0.25 0.87 -1.16 0.00 0.00 179.01 179.64 1x2n h LYS 40 N 0.91 0.73 0.06 2.33 1.57 -1.32 0.22 116.57 121.08 1x2n h LYS 40 Ca 0.39 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1x2n h LYS 40 Cb 0.26 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1x2n h LYS 40 CO -0.20 0.57 -0.03 0.87 -0.57 0.00 0.00 179.45 180.08 1x2n h LYS 41 N 0.73 -0.07 0.50 3.15 1.57 -1.14 -2.79 116.57 118.51 1x2n h LYS 41 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1x2n h LYS 41 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1x2n h LYS 41 CO -0.03 0.50 -0.31 1.96 -0.57 0.00 0.00 179.45 181.00 1x2n h GLN 42 N -0.92 -0.74 -0.25 3.15 1.08 -0.56 -3.05 115.11 113.81 1x2n h GLN 42 Ca -0.01 0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1x2n h GLN 42 Cb 0.61 0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 28.13 1x2n h GLN 42 CO 0.01 -0.50 -0.27 0.82 -0.95 0.00 0.00 178.83 177.95 1x2n h ILE 43 N -0.77 0.34 -0.92 2.54 2.04 -0.71 -0.78 117.51 119.24 1x2n h ILE 43 Ca -0.06 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.17 1x2n h ILE 43 Cb 0.63 0.34 -0.15 0.00 -0.74 0.00 0.00 36.82 36.91 1x2n h ILE 43 CO 0.05 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.72 1x2n n ALA 44 N -2.84 0.94 0.14 1.87 0.00 -1.05 -0.17 120.51 119.40 1x2n n ALA 44 Ca -0.01 0.86 -0.06 0.00 0.00 0.00 0.00 53.44 54.22 1x2n n ALA 44 Cb 0.31 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 1.66 -0.57 -1.08 0.00 0.00 -1.13 2.16 119.26 120.31 1x2n h ALA 45 Ca 0.74 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.85 1x2n h ALA 45 Cb 2.03 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.90 1x2n h ALA 45 CO -0.62 -0.54 0.71 1.96 0.00 0.00 0.00 179.25 180.76 1x2n h GLN 46 N -0.76 0.29 -0.01 0.00 4.20 -0.72 0.63 115.11 118.74 1x2n h GLN 46 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1x2n h GLN 46 Cb 0.31 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1x2n h GLN 46 CO 0.07 0.19 -0.79 0.25 -0.67 0.00 0.00 178.83 177.88 1x2n n THR 47 N -4.55 0.00 -3.19 -0.54 -2.24 0.77 -4.81 114.28 99.72 1x2n n THR 47 Ca 0.26 -0.09 -0.23 0.00 -2.27 0.00 0.00 64.05 61.72 1x2n n THR 47 Cb 0.97 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 70.27 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 -0.99 -5.64 -4.70 3.42 3.02 0.64 -4.70 115.26 106.31 1x2n n ASN 48 Ca 0.06 -0.36 -0.23 0.00 -0.03 0.00 0.00 54.58 54.03 1x2n n ASN 48 Cb 0.38 -4.56 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 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 -6.75 3.32 0.14 3.41 1.43 0.37 -4.96 118.68 115.64 1x2n s LEU 49 Ca 0.37 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1x2n s LEU 49 Cb -0.17 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 1x2n s LEU 49 CO 0.46 -0.08 0.58 0.42 0.23 0.00 0.00 176.35 177.96 1x2n s THR 50 N -2.32 4.78 0.34 5.49 -4.23 -1.26 -4.42 115.64 114.02 1x2n s THR 50 Ca 0.33 1.02 0.27 0.00 -1.18 0.00 0.00 61.69 62.13 1x2n s THR 50 Cb -0.06 -3.80 0.41 0.00 1.34 0.00 0.00 72.50 70.39 1x2n s THR 50 CO 0.21 0.33 1.14 0.18 -0.54 0.00 0.00 174.62 175.95 1x2n n LEU 51 N 1.07 0.12 0.05 4.79 7.99 -1.26 0.19 117.00 129.94 1x2n n LEU 51 Ca -0.06 0.96 -0.13 0.00 -0.01 0.00 0.00 56.01 56.77 1x2n n LEU 51 Cb 0.51 -0.47 -0.09 0.00 -0.11 0.00 0.00 43.42 43.26 1x2n n LEU 51 CO 0.42 -1.03 0.62 0.25 -1.51 0.00 0.00 177.39 176.14 1x2n h LEU 52 N 0.00 -0.11 0.59 2.23 6.46 -1.96 -2.16 115.31 120.35 1x2n h LEU 52 Ca 0.66 -0.33 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 1x2n h LEU 52 Cb 2.23 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 42.19 1x2n h LEU 52 CO -0.27 0.29 -0.33 1.56 -0.62 0.00 0.00 178.44 179.07 1x2n h GLN 53 N -0.54 -0.82 -1.00 1.25 4.20 0.16 0.16 115.11 118.53 1x2n h GLN 53 Ca -0.01 0.06 0.21 0.00 0.06 0.00 0.00 58.65 58.96 1x2n h GLN 53 Cb 0.44 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 28.31 1x2n h GLN 53 CO 0.02 -0.55 0.62 0.28 -0.67 0.00 0.00 178.83 178.53 1x2n h VAL 54 N -0.85 0.66 0.56 -0.54 2.07 -1.38 -1.05 116.25 115.70 1x2n h VAL 54 Ca -0.07 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1x2n h VAL 54 Cb 0.68 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1x2n h VAL 54 CO 0.10 0.12 -0.27 0.78 0.02 0.00 0.00 177.57 178.32 1x2n h ASN 55 N 0.65 -0.63 -0.52 0.57 2.35 -1.00 -2.89 115.58 114.11 1x2n h ASN 55 Ca 0.57 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.40 1x2n h ASN 55 Cb 1.06 0.16 -0.10 0.00 0.05 0.00 0.00 38.32 39.49 1x2n h ASN 55 CO -0.35 -0.23 -0.45 0.78 -1.65 0.00 0.00 177.43 175.53 1x2n h ASN 56 N -1.17 -1.53 -0.64 5.81 -0.26 -0.46 0.29 115.58 117.62 1x2n h ASN 56 Ca -0.08 0.24 0.12 0.00 -0.56 0.00 0.00 56.30 56.03 1x2n h ASN 56 Cb 0.59 0.68 -0.12 0.00 -1.06 0.00 0.00 38.32 38.41 1x2n h ASN 56 CO 0.13 -0.35 -0.21 -0.25 -1.06 0.00 0.00 177.43 175.68 1x2n h TRP 57 N -0.27 -0.50 0.85 1.19 7.01 -1.30 -0.80 115.95 122.13 1x2n h TRP 57 Ca 0.16 0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1x2n h TRP 57 Cb 0.57 0.32 0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1x2n h TRP 57 CO -0.69 -0.31 -0.41 0.74 -2.79 0.00 0.00 178.44 174.98 1x2n h PHE 58 N -0.05 -1.06 -1.11 2.65 0.04 -0.88 0.42 116.94 116.95 1x2n h PHE 58 Ca 0.29 -0.03 0.43 0.00 2.80 0.00 0.00 57.97 61.47 1x2n h PHE 58 Cb 0.50 0.35 -0.17 0.00 2.20 0.00 0.00 35.95 38.84 1x2n h PHE 58 CO -0.56 -0.66 0.64 0.82 -0.60 0.00 0.00 178.31 177.96 1x2n h ILE 59 N -1.28 0.02 0.19 -0.55 2.04 0.01 0.72 117.51 118.66 1x2n h ILE 59 Ca -0.12 -0.01 -0.34 0.00 1.00 0.00 0.00 64.86 65.40 1x2n h ILE 59 Cb 0.88 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1x2n h ILE 59 CO 0.19 0.00 -1.62 -1.13 0.00 0.00 0.00 178.15 175.60 1x2n h ASN 60 N 0.02 0.62 -0.71 1.72 -1.24 -0.97 -3.34 115.58 111.68 1x2n h ASN 60 Ca 0.85 -0.82 0.07 0.00 0.71 0.00 0.00 56.30 57.12 1x2n h ASN 60 Cb 2.39 -0.20 -0.10 0.00 0.73 0.00 0.00 38.32 41.13 1x2n h ASN 60 CO -0.67 1.68 -0.56 0.00 -1.29 0.00 0.00 177.43 176.59 1x2n h ALA 61 N 0.23 -0.60 -0.79 1.57 0.00 0.51 0.48 119.26 120.66 1x2n h ALA 61 Ca -0.29 0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.82 1x2n h ALA 61 Cb 2.10 1.22 -0.06 0.00 0.00 0.00 0.00 17.79 21.05 1x2n h ALA 61 CO 0.20 -0.98 0.52 0.07 0.00 0.00 0.00 179.25 179.06 1x2n h ARG 62 N -0.19 0.58 -0.71 0.00 0.11 -1.63 -0.31 114.38 112.22 1x2n h ARG 62 Ca 0.13 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.14 1x2n h ARG 62 Cb 0.51 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 1x2n h ARG 62 CO -0.77 0.38 0.31 0.00 0.10 0.00 0.00 179.97 179.99 1x2n h ARG 63 N 0.59 1.04 0.61 0.08 2.47 -0.23 0.13 114.38 119.07 1x2n h ARG 63 Ca 0.38 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1x2n h ARG 63 Cb 0.66 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1x2n h ARG 63 CO -0.15 0.82 -0.29 0.00 0.56 0.00 0.00 179.97 180.91 1x2n h ARG 64 N 1.02 -0.79 -0.58 0.04 2.47 0.51 -1.14 114.38 115.91 1x2n h ARG 64 Ca 0.24 0.05 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1x2n h ARG 64 Cb 0.15 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1x2n h ARG 64 CO -0.03 -0.48 0.38 -0.84 0.56 0.00 0.00 179.97 179.57 1x2n h ILE 65 N -1.10 1.13 -0.20 2.04 3.07 -1.42 -2.53 117.51 118.50 1x2n h ILE 65 Ca -0.08 -0.26 -0.02 0.00 1.55 0.00 0.00 64.86 66.05 1x2n h ILE 65 Cb 0.67 0.31 -0.01 0.00 -0.27 0.00 0.00 36.82 37.53 1x2n h ILE 65 CO 0.14 0.14 0.05 -0.07 -1.05 0.00 0.00 178.15 177.36 1x2n h LEU 66 N 0.75 0.29 -0.97 0.16 3.38 -0.71 -3.47 115.31 114.74 1x2n h LEU 66 Ca 0.22 -0.22 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1x2n h LEU 66 Cb -0.04 -0.08 0.14 0.00 0.09 0.00 0.00 40.66 40.78 1x2n h LEU 66 CO -0.05 0.43 -0.68 0.00 0.09 0.00 0.00 178.44 178.23 1x2n n GLN 67 N -4.79 -7.67 -1.70 1.13 1.13 -0.44 -4.97 117.38 100.08 1x2n n GLN 67 Ca -0.04 0.82 -0.32 0.00 -1.94 0.00 0.00 57.00 55.52 1x2n n GLN 67 Cb 0.16 -5.82 0.04 0.00 0.11 0.00 0.00 30.24 24.73 1x2n n GLN 67 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1x2n s SER 68 N -3.46 5.34 0.00 1.08 0.15 -1.26 -4.82 113.70 110.73 1x2n s SER 68 Ca 0.49 1.77 0.00 0.00 0.70 0.00 0.00 55.95 58.91 1x2n s SER 68 Cb -0.22 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1x2n s SER 68 CO 0.72 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1x2n n GLY 69 N -1.34 0.47 0.24 9.45 0.00 -1.26 -4.87 105.19 107.88 1x2n n GLY 69 Ca 0.09 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1x2n n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2n h PRO 70 N 0.00 0.71 0.33 1.61 0.13 -2.03 -3.27 132.00 129.47 1x2n h PRO 70 Ca 0.00 -0.37 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1x2n h PRO 70 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1x2n h PRO 70 CO 0.00 0.99 -0.16 0.77 -0.23 0.00 0.00 178.00 179.37 1x2n h SER 71 N 0.58 -0.37 -3.45 1.44 0.02 -2.01 -3.42 113.55 106.34 1x2n h SER 71 Ca 0.05 -0.03 -0.39 0.00 -0.84 0.00 0.00 61.79 60.58 1x2n h SER 71 Cb 0.95 0.10 -0.35 0.00 0.14 0.00 0.00 62.40 63.24 1x2n h SER 71 CO 0.09 -0.21 -0.76 -0.94 -1.14 0.00 0.00 176.83 173.87 1x2n s SER 72 N -4.86 0.82 0.00 3.07 1.04 -1.23 -5.31 113.70 107.23 1x2n s SER 72 Ca -0.15 -0.08 0.17 0.00 0.48 0.00 0.00 55.95 56.37 1x2n s SER 72 Cb 0.04 -0.35 0.14 0.00 0.10 0.00 0.00 66.02 65.95 1x2n s SER 72 CO 0.63 -0.09 1.05 0.61 0.98 0.00 0.00 173.24 176.42