#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 0.15 -0.16 1.61 0.01 -1.26 -5.16 113.70 108.90 1x2n s SER 2 Ca 0.00 -1.19 -0.05 0.00 1.31 0.00 0.00 55.95 56.02 1x2n s SER 2 Cb 0.00 0.51 -0.03 0.00 0.21 0.00 0.00 66.02 66.71 1x2n s SER 2 CO 0.00 -1.04 0.01 -0.94 0.41 0.00 0.00 173.24 171.68 1x2n s SER 3 N -3.11 5.16 -0.14 2.44 1.04 -1.26 -5.10 113.70 112.74 1x2n s SER 3 Ca 0.30 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.72 1x2n s SER 3 Cb 0.02 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.32 1x2n s SER 3 CO 0.12 0.18 -0.16 -0.83 0.98 0.00 0.00 173.24 173.53 1x2n s GLY 4 N 0.29 1.17 -0.23 7.32 0.00 -1.26 -5.10 107.32 109.52 1x2n s GLY 4 Ca -0.00 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1x2n s GLY 4 CO 0.02 0.35 -0.08 -0.45 0.00 0.00 0.00 173.10 172.94 1x2n s SER 5 N 1.26 3.88 0.02 1.64 0.15 -1.26 -5.11 113.70 114.28 1x2n s SER 5 Ca 0.01 -1.16 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 1x2n s SER 5 Cb -0.14 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1x2n s SER 5 CO -0.08 -0.20 0.17 -0.94 1.20 0.00 0.00 173.24 173.39 1x2n s SER 6 N 1.33 0.02 0.00 5.45 1.04 -1.26 -5.15 113.70 115.12 1x2n s SER 6 Ca -0.05 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1x2n s SER 6 Cb -0.18 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1x2n s SER 6 CO -0.06 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1x2n n GLY 7 N 1.09 4.55 3.49 7.32 0.00 -1.26 -5.14 105.19 115.23 1x2n n GLY 7 Ca -0.21 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1x2n n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x2n s LYS 8 N -3.55 -1.01 -0.29 1.61 -2.85 -1.26 -5.06 119.74 107.32 1x2n s LYS 8 Ca 0.00 0.79 -0.16 0.00 -1.00 0.00 0.00 55.97 55.60 1x2n s LYS 8 Cb 0.00 -1.55 0.13 0.00 -2.06 0.00 0.00 37.83 34.35 1x2n s LYS 8 CO 0.00 -3.77 0.91 1.21 0.10 0.00 0.00 175.35 173.79 1x2n s ASN 9 N -2.55 -0.61 -0.21 0.03 3.84 -1.26 -5.07 114.94 109.11 1x2n s ASN 9 Ca 0.68 0.98 -0.17 0.00 0.21 0.00 0.00 52.86 54.57 1x2n s ASN 9 Cb -0.25 1.25 -0.12 0.00 -0.55 0.00 0.00 41.25 41.58 1x2n s ASN 9 CO 0.65 -0.15 -0.07 0.29 -2.79 0.00 0.00 177.10 175.02 1x2n n LYS 10 N 3.85 0.54 -3.78 0.43 5.02 -1.26 -5.03 118.16 117.93 1x2n n LYS 10 Ca -0.19 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1x2n n LYS 10 Cb 0.58 -1.64 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 1x2n n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1x2n s ARG 11 N -2.43 0.68 -0.32 1.97 1.70 -1.26 -5.11 118.95 114.18 1x2n s ARG 11 Ca -0.28 -0.30 -0.06 0.00 -0.47 0.00 0.00 55.73 54.62 1x2n s ARG 11 Cb 0.07 0.30 0.24 0.00 -0.57 0.00 0.00 34.95 34.99 1x2n s ARG 11 CO 0.47 -0.19 1.18 0.41 -1.08 0.00 0.00 175.30 176.09 1x2n n GLY 12 N 1.11 -1.82 3.88 3.88 0.00 -1.26 -5.16 105.19 105.81 1x2n n GLY 12 Ca -0.21 1.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.75 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 0.63 4.83 0.21 1.61 -7.23 -1.26 -5.10 120.40 114.10 1x2n s VAL 13 Ca 0.24 0.51 0.09 0.00 -1.81 0.00 0.00 61.98 61.01 1x2n s VAL 13 Cb 0.17 -3.73 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 1x2n s VAL 13 CO -0.10 -0.47 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.45 1x2n s LEU 14 N -3.76 3.20 0.73 1.32 1.43 -1.26 -5.12 118.68 115.22 1x2n s LEU 14 Ca 0.50 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1x2n s LEU 14 Cb -0.10 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.34 1x2n s LEU 14 CO 0.31 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.88 1x2n s PRO 15 N -3.22 2.46 0.23 1.29 0.04 -1.26 -4.90 135.00 129.64 1x2n s PRO 15 Ca 0.28 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 1x2n s PRO 15 Cb -0.08 -1.92 0.22 0.00 0.04 0.00 0.00 34.50 32.76 1x2n s PRO 15 CO 0.18 -1.50 1.88 -0.22 0.04 0.00 0.00 177.00 177.39 1x2n h LYS 16 N -0.69 1.23 -0.86 4.56 3.64 -2.00 -2.36 116.57 120.10 1x2n h LYS 16 Ca -0.45 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1x2n h LYS 16 Cb 1.24 -0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 1x2n h LYS 16 CO 0.52 0.86 0.51 1.25 -2.27 0.00 0.00 179.45 180.32 1x2n h HIS 17 N 1.25 0.94 0.27 1.91 2.76 -1.96 0.03 115.15 120.35 1x2n h HIS 17 Ca 0.33 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1x2n h HIS 17 Cb -0.07 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.60 1x2n h HIS 17 CO 0.00 0.42 -0.13 0.00 -1.30 0.00 0.00 177.93 176.92 1x2n h ALA 18 N 1.44 -0.36 -0.49 5.26 0.00 -1.68 -2.87 119.26 120.57 1x2n h ALA 18 Ca 0.40 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1x2n h ALA 18 Cb 0.30 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1x2n h ALA 18 CO -0.22 -0.62 0.33 1.79 0.00 0.00 0.00 179.25 180.52 1x2n h THR 19 N -0.52 1.01 0.36 0.00 1.35 -1.14 -2.77 112.91 111.20 1x2n h THR 19 Ca -0.04 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1x2n h THR 19 Cb 0.38 0.48 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 1x2n h THR 19 CO 0.06 0.09 -0.43 0.78 -0.25 0.00 0.00 175.52 175.77 1x2n h ASN 20 N 0.49 -1.20 0.30 5.36 2.35 -0.77 0.51 115.58 122.62 1x2n h ASN 20 Ca 0.20 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1x2n h ASN 20 Cb 0.20 0.41 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1x2n h ASN 20 CO -0.05 -0.54 -0.47 0.58 -1.65 0.00 0.00 177.43 175.29 1x2n h VAL 21 N -0.80 0.00 -1.00 2.81 2.07 -1.41 -0.25 116.25 117.67 1x2n h VAL 21 Ca -0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.68 1x2n h VAL 21 Cb 0.71 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 1x2n h VAL 21 CO -0.09 0.00 0.61 0.24 0.02 0.00 0.00 177.57 178.35 1x2n h MET 22 N -0.81 0.69 0.89 1.57 2.86 -1.46 -1.35 114.93 117.32 1x2n h MET 22 Ca -0.03 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1x2n h MET 22 Cb 0.75 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.26 1x2n h MET 22 CO -0.15 0.46 -0.43 0.00 1.06 0.00 0.00 176.91 177.85 1x2n h ARG 23 N 0.72 -1.15 -0.44 1.72 3.08 0.82 0.16 114.38 119.29 1x2n h ARG 23 Ca 0.59 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.80 1x2n h ARG 23 Cb 0.98 0.26 -0.09 0.00 0.08 0.00 0.00 29.97 31.20 1x2n h ARG 23 CO -0.38 -0.76 -0.17 1.03 -1.07 0.00 0.00 179.97 178.62 1x2n h SER 24 N -1.24 -0.58 0.52 7.04 0.87 -0.39 -0.20 113.55 119.57 1x2n h SER 24 Ca -0.12 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1x2n h SER 24 Cb 0.92 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1x2n h SER 24 CO 0.20 -0.20 -0.27 -0.25 -0.53 0.00 0.00 176.83 175.78 1x2n h TRP 25 N -0.07 -0.71 -0.61 2.24 7.01 -1.22 -1.37 115.95 121.22 1x2n h TRP 25 Ca 0.21 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.32 1x2n h TRP 25 Cb 0.40 0.24 -0.12 0.00 -2.10 0.00 0.00 29.16 27.58 1x2n h TRP 25 CO -0.43 -0.43 -0.18 1.25 -2.79 0.00 0.00 178.44 175.85 1x2n h LEU 26 N -0.74 -0.67 -0.60 0.65 5.85 -0.15 0.58 115.31 120.24 1x2n h LEU 26 Ca -0.07 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1x2n h LEU 26 Cb 0.58 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1x2n h LEU 26 CO 0.10 -0.22 0.36 -0.26 -0.34 0.00 0.00 178.44 178.08 1x2n h PHE 27 N -0.03 0.68 -0.39 1.25 0.04 -0.89 0.76 116.94 118.36 1x2n h PHE 27 Ca 0.29 0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.13 1x2n h PHE 27 Cb 0.48 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1x2n h PHE 27 CO -0.53 0.39 0.27 1.96 -0.60 0.00 0.00 178.31 179.80 1x2n h GLN 28 N 0.72 0.29 -0.28 1.51 4.20 0.23 -2.17 115.11 119.61 1x2n h GLN 28 Ca 0.24 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.73 1x2n h GLN 28 Cb 0.03 -0.07 -0.17 0.00 0.30 0.00 0.00 27.48 27.57 1x2n h GLN 28 CO -0.11 0.19 -0.64 0.72 -0.67 0.00 0.00 178.83 178.33 1x2n n HIS 29 N -4.48 1.01 -0.30 2.96 8.25 -0.46 -4.83 115.22 117.37 1x2n n HIS 29 Ca 0.05 -1.74 0.13 0.00 -0.26 0.00 0.00 57.72 55.89 1x2n n HIS 29 Cb 0.25 -0.28 0.29 0.00 1.12 0.00 0.00 29.99 31.36 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 1.63 0.29 -0.61 1.59 6.09 0.12 0.19 117.51 126.80 1x2n h ILE 30 Ca 0.13 -0.06 0.08 0.00 -1.37 0.00 0.00 64.86 63.64 1x2n h ILE 30 Cb 1.22 0.09 -0.07 0.00 0.47 0.00 0.00 36.82 38.53 1x2n h ILE 30 CO 0.28 0.03 0.26 1.23 -3.07 0.00 0.00 178.15 176.88 1x2n h GLY 31 N 0.18 0.87 -6.63 8.18 0.00 -1.85 -3.33 103.07 100.49 1x2n h GLY 31 Ca 0.55 -0.15 -0.60 0.00 0.00 0.00 0.00 47.33 47.14 1x2n h GLY 31 CO -0.68 0.02 -0.84 -1.58 0.00 0.00 0.00 176.54 173.46 1x2n s HIS 32 N -6.09 1.66 -1.16 5.60 5.65 0.60 -5.05 115.29 116.50 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 0.17 -1.41 -0.10 0.00 -1.18 0.00 0.00 32.58 30.06 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 2.93 1.59 -3.65 2.88 -0.04 -0.74 -4.84 135.00 133.13 1x2n n PRO 33 Ca 0.22 -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 10.62 0.61 0.26 0.54 1.51 -1.26 -4.91 117.35 124.72 1x2n s TYR 34 Ca 0.68 -0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 1x2n s TYR 34 Cb 0.01 -0.92 -0.09 0.00 -0.11 0.00 0.00 41.96 40.84 1x2n s TYR 34 CO 0.14 -0.63 1.26 -1.25 -1.11 0.00 0.00 175.55 173.96 1x2n s PRO 35 N 2.00 4.44 0.30 -1.71 0.04 -1.26 -5.02 135.00 133.79 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 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1x2n s PRO 35 CO -0.15 -0.12 0.83 0.95 0.04 0.00 0.00 177.00 178.55 1x2n s THR 36 N -0.62 4.45 0.35 1.26 -4.23 -1.26 -4.84 115.64 110.75 1x2n s THR 36 Ca 0.51 1.43 0.29 0.00 -1.18 0.00 0.00 61.69 62.73 1x2n s THR 36 Cb -0.37 -3.82 0.43 0.00 1.34 0.00 0.00 72.50 70.09 1x2n s THR 36 CO 0.44 0.03 1.11 -0.62 -0.54 0.00 0.00 174.62 175.04 1x2n n GLU 37 N 0.26 -0.01 -0.06 3.99 1.02 -1.26 0.74 120.64 125.32 1x2n n GLU 37 Ca 0.02 0.84 -0.04 0.00 -0.02 0.00 0.00 57.16 57.95 1x2n n GLU 37 Cb 0.52 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 1x2n n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1x2n h ASP 38 N 0.00 0.00 -0.99 1.62 3.32 -2.00 -3.30 116.42 115.07 1x2n h ASP 38 Ca 0.64 -0.29 0.38 0.00 0.02 0.00 0.00 57.03 57.79 1x2n h ASP 38 Cb 2.31 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 41.68 1x2n h ASP 38 CO -0.19 0.66 0.41 -0.62 -1.72 0.00 0.00 179.24 177.77 1x2n n GLU 39 N -4.73 -0.06 -0.18 3.56 -0.58 0.23 0.14 120.64 119.01 1x2n n GLU 39 Ca -0.03 1.40 -0.07 0.00 -0.42 0.00 0.00 57.16 58.04 1x2n n GLU 39 Cb 0.15 -2.43 0.02 0.00 -0.57 0.00 0.00 31.44 28.61 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 0.72 0.11 3.49 1.57 -1.48 0.37 116.57 121.34 1x2n h LYS 40 Ca 0.78 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.50 1x2n h LYS 40 Cb 1.99 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1x2n h LYS 40 CO -0.81 0.49 -0.05 0.87 -0.57 0.00 0.00 179.45 179.39 1x2n h LYS 41 N 0.72 -0.14 0.34 3.15 1.57 0.11 -1.41 116.57 120.93 1x2n h LYS 41 Ca 0.19 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1x2n h LYS 41 Cb -0.05 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1x2n h LYS 41 CO -0.04 0.32 -0.26 1.96 -0.57 0.00 0.00 179.45 180.85 1x2n h GLN 42 N -0.66 -0.58 0.32 3.15 1.08 -0.75 -3.07 115.11 114.58 1x2n h GLN 42 Ca -0.01 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1x2n h GLN 42 Cb 0.52 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1x2n h GLN 42 CO 0.02 -0.39 -0.35 0.82 -0.95 0.00 0.00 178.83 177.99 1x2n h ILE 43 N -0.61 0.28 -1.04 2.54 2.04 -0.36 -1.95 117.51 118.41 1x2n h ILE 43 Ca -0.03 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.20 1x2n h ILE 43 Cb 0.53 0.28 -0.12 0.00 -0.74 0.00 0.00 36.82 36.77 1x2n h ILE 43 CO -0.00 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.80 1x2n n ALA 44 N -2.66 1.04 0.01 1.87 0.00 -0.53 0.77 120.51 121.00 1x2n n ALA 44 Ca -0.09 0.71 -0.10 0.00 0.00 0.00 0.00 53.44 53.95 1x2n n ALA 44 Cb 0.36 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 1.32 -0.12 -0.75 0.00 0.00 -1.27 1.24 119.26 119.67 1x2n h ALA 45 Ca 0.69 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.45 1x2n h ALA 45 Cb 2.17 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.96 1x2n h ALA 45 CO -0.41 -0.19 0.50 1.96 0.00 0.00 0.00 179.25 181.11 1x2n h GLN 46 N -0.88 0.59 0.00 0.00 4.20 0.66 -0.80 115.11 118.88 1x2n h GLN 46 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1x2n h GLN 46 Cb 0.57 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1x2n h GLN 46 CO 0.02 0.39 -1.03 0.25 -0.67 0.00 0.00 178.83 177.79 1x2n n THR 47 N -4.50 0.02 -2.63 -0.54 -2.24 0.73 -4.83 114.28 100.29 1x2n n THR 47 Ca 0.13 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 1x2n n THR 47 Cb 0.38 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.61 -4.97 -4.73 3.42 5.15 0.35 -4.57 115.26 108.30 1x2n n ASN 48 Ca 0.03 -0.14 -0.23 0.00 -0.60 0.00 0.00 54.58 53.65 1x2n n ASN 48 Cb 0.36 -3.92 -0.06 0.00 -0.53 0.00 0.00 39.78 35.63 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 -4.99 3.39 0.16 1.20 1.43 0.30 -4.96 118.68 115.21 1x2n s LEU 49 Ca 0.14 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 1x2n s LEU 49 Cb -0.06 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1x2n s LEU 49 CO 0.17 -0.13 0.59 0.42 0.23 0.00 0.00 176.35 177.64 1x2n s THR 50 N -2.31 4.79 0.27 5.49 -4.23 -1.26 -4.42 115.64 113.96 1x2n s THR 50 Ca 0.34 0.94 0.15 0.00 -1.18 0.00 0.00 61.69 61.94 1x2n s THR 50 Cb -0.06 -3.77 0.26 0.00 1.34 0.00 0.00 72.50 70.27 1x2n s THR 50 CO 0.22 0.24 1.15 0.18 -0.54 0.00 0.00 174.62 175.87 1x2n n LEU 51 N 0.81 0.25 0.15 4.79 7.99 -1.26 0.15 117.00 129.87 1x2n n LEU 51 Ca -0.05 1.21 -0.14 0.00 -0.01 0.00 0.00 56.01 57.02 1x2n n LEU 51 Cb 0.52 -0.58 -0.08 0.00 -0.11 0.00 0.00 43.42 43.16 1x2n n LEU 51 CO 0.43 -1.35 0.68 0.25 -1.51 0.00 0.00 177.39 175.89 1x2n h LEU 52 N 0.00 -0.30 0.61 2.23 6.46 -1.97 -2.11 115.31 120.23 1x2n h LEU 52 Ca 0.61 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 58.24 1x2n h LEU 52 Cb 1.62 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 1x2n h LEU 52 CO -0.56 -0.07 -0.48 1.56 -0.62 0.00 0.00 178.44 178.27 1x2n h GLN 53 N -0.52 -1.02 -1.07 1.25 4.20 0.10 0.98 115.11 119.04 1x2n h GLN 53 Ca -0.04 0.07 0.30 0.00 0.06 0.00 0.00 58.65 59.04 1x2n h GLN 53 Cb 0.39 0.23 -0.12 0.00 0.30 0.00 0.00 27.48 28.28 1x2n h GLN 53 CO 0.06 -0.68 0.66 0.28 -0.67 0.00 0.00 178.83 178.48 1x2n h VAL 54 N -1.06 0.42 0.37 -0.54 2.07 -1.33 0.50 116.25 116.69 1x2n h VAL 54 Ca -0.08 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1x2n h VAL 54 Cb 0.89 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1x2n h VAL 54 CO 0.01 0.07 -0.18 0.78 0.02 0.00 0.00 177.57 178.27 1x2n h ASN 55 N 0.38 -0.42 -0.34 0.57 2.35 -0.76 -2.98 115.58 114.37 1x2n h ASN 55 Ca 0.67 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 56.41 1x2n h ASN 55 Cb 1.64 0.11 -0.09 0.00 0.05 0.00 0.00 38.32 40.03 1x2n h ASN 55 CO -0.42 0.02 -0.35 0.78 -1.65 0.00 0.00 177.43 175.82 1x2n h ASN 56 N -1.06 -1.14 -0.56 5.81 -0.26 0.17 0.25 115.58 118.80 1x2n h ASN 56 Ca -0.05 0.19 0.11 0.00 -0.56 0.00 0.00 56.30 55.98 1x2n h ASN 56 Cb 0.48 0.51 -0.11 0.00 -1.06 0.00 0.00 38.32 38.14 1x2n h ASN 56 CO 0.08 -0.34 -0.28 -0.25 -1.06 0.00 0.00 177.43 175.59 1x2n h TRP 57 N -0.30 -0.73 0.82 1.19 7.01 -1.05 0.16 115.95 123.06 1x2n h TRP 57 Ca 0.15 0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.17 1x2n h TRP 57 Cb 0.55 0.40 0.01 0.00 -2.10 0.00 0.00 29.16 28.02 1x2n h TRP 57 CO -0.53 -0.35 -0.40 0.74 -2.79 0.00 0.00 178.44 175.12 1x2n h PHE 58 N -0.13 -1.03 -0.98 2.65 0.04 -1.13 0.26 116.94 116.62 1x2n h PHE 58 Ca 0.24 -0.02 0.31 0.00 2.80 0.00 0.00 57.97 61.30 1x2n h PHE 58 Cb 0.52 0.34 -0.15 0.00 2.20 0.00 0.00 35.95 38.86 1x2n h PHE 58 CO -0.58 -0.63 0.51 0.82 -0.60 0.00 0.00 178.31 177.83 1x2n h ILE 59 N -1.24 0.28 -0.01 -0.55 2.04 -0.07 0.37 117.51 118.33 1x2n h ILE 59 Ca -0.11 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1x2n h ILE 59 Cb 0.86 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1x2n h ILE 59 CO 0.19 0.05 -0.33 -1.13 0.00 0.00 0.00 178.15 176.93 1x2n h ASN 60 N 0.28 0.30 0.65 1.72 -1.24 -0.52 -3.07 115.58 113.71 1x2n h ASN 60 Ca 0.71 -0.76 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1x2n h ASN 60 Cb 1.61 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.56 1x2n h ASN 60 CO -0.63 1.02 -0.47 0.00 -1.29 0.00 0.00 177.43 176.06 1x2n h ALA 61 N 0.29 -1.14 -1.00 1.57 0.00 0.20 -2.05 119.26 117.14 1x2n h ALA 61 Ca -0.04 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.92 1x2n h ALA 61 Cb 1.06 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 1x2n h ALA 61 CO 0.06 -1.16 0.68 0.07 0.00 0.00 0.00 179.25 178.90 1x2n h ARG 62 N -1.07 0.23 -0.15 0.00 -0.00 -0.55 0.53 114.38 113.37 1x2n h ARG 62 Ca -0.08 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.98 59.80 1x2n h ARG 62 Cb 0.89 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.79 1x2n h ARG 62 CO 0.04 0.15 -0.29 0.00 -0.00 0.00 0.00 179.97 179.88 1x2n h ARG 63 N 0.24 0.29 0.27 0.08 3.08 -1.28 -2.33 114.38 114.73 1x2n h ARG 63 Ca 0.52 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 1x2n h ARG 63 Cb 1.60 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1x2n h ARG 63 CO -0.15 0.56 -0.13 0.00 -1.07 0.00 0.00 179.97 179.17 1x2n h ARG 64 N 0.25 -0.35 -0.92 0.04 3.08 0.59 0.17 114.38 117.25 1x2n h ARG 64 Ca 0.04 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.23 1x2n h ARG 64 Cb 0.65 0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 1x2n h ARG 64 CO 0.05 0.00 0.55 -0.84 -1.07 0.00 0.00 179.97 178.66 1x2n h ILE 65 N -0.84 0.88 0.27 2.04 3.07 -1.46 -2.90 117.51 118.56 1x2n h ILE 65 Ca -0.04 -0.30 -0.01 0.00 1.55 0.00 0.00 64.86 66.06 1x2n h ILE 65 Cb 0.51 -0.06 0.00 0.00 -0.27 0.00 0.00 36.82 37.00 1x2n h ILE 65 CO 0.06 0.16 -0.13 -0.07 -1.05 0.00 0.00 178.15 177.12 1x2n h LEU 66 N 0.87 -0.31 -9.06 0.16 -0.00 -1.44 -3.19 115.31 102.34 1x2n h LEU 66 Ca 0.46 -0.18 -0.57 0.00 -0.00 0.00 0.00 57.88 57.60 1x2n h LEU 66 Cb 0.49 0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.19 1x2n h LEU 66 CO -0.28 0.19 1.00 -1.10 -0.00 0.00 0.00 178.44 178.25 1x2n s GLN 67 N -3.36 4.01 -1.27 1.13 -1.52 0.61 -3.15 119.66 116.10 1x2n s GLN 67 Ca -0.10 1.56 -0.06 0.00 -1.95 0.00 0.00 55.36 54.81 1x2n s GLN 67 Cb 0.01 -3.89 0.01 0.00 -0.22 0.00 0.00 33.01 28.91 1x2n s GLN 67 CO 0.36 -1.01 1.10 0.43 -0.25 0.00 0.00 175.29 175.91 1x2n n SER 68 N 7.47 -5.00 0.00 5.90 7.64 -1.26 -4.66 113.62 123.71 1x2n n SER 68 Ca 0.16 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1x2n n SER 68 Cb 0.45 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 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 -1.72 1.57 3.56 0.23 0.00 -1.19 -4.77 105.19 102.88 1x2n n GLY 69 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1x2n n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2n s PRO 70 N 0.14 2.58 -0.08 1.61 0.04 -1.26 -4.96 135.00 133.06 1x2n s PRO 70 Ca 0.00 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 60.95 1x2n s PRO 70 Cb 0.00 -4.83 -0.05 0.00 0.04 0.00 0.00 34.50 29.66 1x2n s PRO 70 CO 0.00 -3.16 0.29 0.45 0.04 0.00 0.00 177.00 174.62 1x2n s SER 71 N 8.07 6.56 -0.54 6.66 0.15 -1.26 -5.04 113.70 128.30 1x2n s SER 71 Ca 0.69 0.67 -0.28 0.00 0.70 0.00 0.00 55.95 57.73 1x2n s SER 71 Cb -0.09 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1x2n s SER 71 CO 0.07 0.29 1.13 -0.94 1.20 0.00 0.00 173.24 174.99 1x2n s SER 72 N -0.63 6.50 0.00 5.45 1.04 -1.26 -5.27 113.70 119.53 1x2n s SER 72 Ca 0.19 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1x2n s SER 72 Cb -0.14 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1x2n s SER 72 CO 0.08 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.55