#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o s SER 2 N 0.00 -0.04 -0.12 1.61 0.01 -1.26 -5.19 113.70 108.71 1x4o s SER 2 Ca 0.00 0.08 -0.33 0.00 1.31 0.00 0.00 55.95 57.01 1x4o s SER 2 Cb 0.00 0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.44 1x4o s SER 2 CO 0.00 -0.01 1.17 -0.55 0.41 0.00 0.00 173.24 174.26 1x4o s SER 3 N 0.00 -0.15 0.00 2.44 0.15 -1.26 -5.19 113.70 109.69 1x4o s SER 3 Ca 0.08 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1x4o s SER 3 Cb -0.05 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1x4o s SER 3 CO -0.16 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x4o n GLY 4 N -0.20 1.33 3.82 9.45 0.00 -1.26 -5.18 105.19 113.16 1x4o n GLY 4 Ca -0.03 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4o s SER 5 N 0.00 4.77 0.19 1.61 0.15 -1.26 -5.07 113.70 114.09 1x4o s SER 5 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1x4o s SER 5 Cb 0.00 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 1x4o s SER 5 CO 0.00 -0.63 0.00 -0.24 1.20 0.00 0.00 173.24 173.57 1x4o n SER 6 N -1.43 0.24 -0.06 5.45 2.88 -1.26 -5.13 113.62 114.30 1x4o n SER 6 Ca 0.01 0.31 0.01 0.00 -1.33 0.00 0.00 58.87 57.87 1x4o n SER 6 Cb 0.63 0.13 -0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1x4o n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 7 N 2.19 -1.88 3.57 0.46 0.00 -1.26 -4.56 105.19 103.71 1x4o n GLY 7 Ca 0.00 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1x4o n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4o s LYS 8 N -1.92 3.12 0.52 1.61 1.02 -1.26 -4.94 119.74 117.88 1x4o s LYS 8 Ca 0.00 -1.09 -0.05 0.00 0.02 0.00 0.00 55.97 54.85 1x4o s LYS 8 Cb 0.00 -5.29 -0.02 0.00 -0.52 0.00 0.00 37.83 32.01 1x4o s LYS 8 CO 0.00 -2.99 0.82 0.14 -0.92 0.00 0.00 175.35 172.40 1x4o s VAL 9 N 7.74 4.36 0.34 3.17 -7.23 -1.26 -5.10 120.40 122.41 1x4o s VAL 9 Ca 0.60 0.06 0.08 0.00 -1.81 0.00 0.00 61.98 60.90 1x4o s VAL 9 Cb -0.01 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 1x4o s VAL 9 CO 0.02 -0.66 0.21 -0.94 -0.31 0.00 0.00 175.10 173.43 1x4o s SER 10 N -4.19 4.96 0.64 4.85 1.04 -1.26 -5.03 113.70 114.71 1x4o s SER 10 Ca 0.50 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 1x4o s SER 10 Cb -0.10 -0.83 -0.01 0.00 0.10 0.00 0.00 66.02 65.17 1x4o s SER 10 CO 0.44 -0.33 1.05 -2.16 0.98 0.00 0.00 173.24 173.23 1x4o s PRO 11 N -3.92 3.15 0.94 4.02 0.04 -1.26 -4.68 135.00 133.29 1x4o s PRO 11 Ca 0.39 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 1x4o s PRO 11 Cb -0.04 -2.02 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1x4o s PRO 11 CO 0.24 -0.94 1.15 -1.25 0.04 0.00 0.00 177.00 176.25 1x4o s PRO 12 N -4.61 0.93 -0.67 0.56 0.04 -1.26 -4.96 135.00 125.03 1x4o s PRO 12 Ca 0.60 0.20 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 1x4o s PRO 12 Cb -0.15 -1.82 0.40 0.00 0.04 0.00 0.00 34.50 32.98 1x4o s PRO 12 CO 0.46 -2.32 1.82 0.39 0.04 0.00 0.00 177.00 177.39 1x4o n GLU 13 N -3.84 2.92 -3.15 4.56 -0.58 -1.26 -4.82 120.64 114.47 1x4o n GLU 13 Ca 0.08 -3.65 0.04 0.00 -0.42 0.00 0.00 57.16 53.21 1x4o n GLU 13 Cb 0.59 -2.27 -0.01 0.00 -0.57 0.00 0.00 31.44 29.18 1x4o n GLU 13 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1x4o s ASP 14 N -1.94 -1.42 0.13 1.62 2.15 -1.26 -5.05 116.67 110.90 1x4o s ASP 14 Ca 0.56 0.63 -0.25 0.00 0.43 0.00 0.00 52.55 53.92 1x4o s ASP 14 Cb 0.45 2.09 -0.03 0.00 -0.30 0.00 0.00 42.92 45.13 1x4o s ASP 14 CO -0.20 -0.26 1.63 -0.33 -0.17 0.00 0.00 175.17 175.83 1x4o h GLU 15 N 7.99 -0.36 -1.26 4.34 5.08 -1.98 0.20 114.58 128.58 1x4o h GLU 15 Ca -0.16 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.59 1x4o h GLU 15 Cb 1.17 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1x4o h GLU 15 CO 0.21 -0.24 1.13 0.93 -1.00 0.00 0.00 179.01 180.04 1x4o h GLU 16 N -0.38 0.00 0.00 2.33 5.08 -1.99 0.24 114.58 119.86 1x4o h GLU 16 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1x4o h GLU 16 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1x4o h GLU 16 CO -0.28 0.00 -0.50 0.00 -1.00 0.00 0.00 179.01 177.23 1x4o h ALA 17 N 0.92 0.04 -1.90 3.43 0.00 -1.14 -2.38 119.26 118.24 1x4o h ALA 17 Ca 0.60 -0.52 0.55 0.00 0.00 0.00 0.00 54.91 55.54 1x4o h ALA 17 Cb 2.85 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 20.98 1x4o h ALA 17 CO -0.01 0.40 1.39 -0.22 0.00 0.00 0.00 179.25 180.82 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 0.15 1.48 116.57 120.84 1x4o h LYS 18 Ca -0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1x4o h LYS 18 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1x4o h LYS 18 CO -0.04 0.00 -0.79 -0.97 -2.27 0.00 0.00 179.45 175.39 1x4o h ASN 19 N 0.00 0.00 -0.14 4.20 -0.73 -1.06 -3.13 115.58 114.71 1x4o h ASN 19 Ca 0.90 -0.69 0.04 0.00 1.87 0.00 0.00 56.30 58.42 1x4o h ASN 19 Cb 3.68 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 42.23 1x4o h ASN 19 CO -0.01 1.30 -0.11 -0.07 -0.37 0.00 0.00 177.43 178.18 1x4o h LEU 20 N -1.00 -0.34 0.02 0.34 3.38 0.18 0.73 115.31 118.62 1x4o h LEU 20 Ca -0.22 0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1x4o h LEU 20 Cb 1.19 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1x4o h LEU 20 CO -0.13 -0.14 -0.47 0.00 0.09 0.00 0.00 178.44 177.78 1x4o h ALA 21 N 0.99 -0.80 0.14 1.53 0.00 0.13 1.12 119.26 122.37 1x4o h ALA 21 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x4o h ALA 21 Cb 0.25 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1x4o h ALA 21 CO -0.21 -1.03 -0.29 1.49 0.00 0.00 0.00 179.25 179.21 1x4o h GLU 22 N -0.64 -0.50 0.07 0.00 4.81 -1.40 0.87 114.58 117.79 1x4o h GLU 22 Ca 0.03 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1x4o h GLU 22 Cb 0.70 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1x4o h GLU 22 CO -0.33 -0.33 -0.24 -0.22 -0.73 0.00 0.00 179.01 177.16 1x4o h LYS 23 N -0.52 -0.34 -0.97 1.92 3.11 0.97 1.46 116.57 122.20 1x4o h LYS 23 Ca 0.03 0.02 0.14 0.00 -2.81 0.00 0.00 60.65 58.03 1x4o h LYS 23 Cb 0.54 0.08 -0.15 0.00 -1.00 0.00 0.00 32.23 31.70 1x4o h LYS 23 CO -0.16 -0.23 -0.43 1.25 -2.81 0.00 0.00 179.45 177.07 1x4o h LEU 24 N -0.36 -1.58 0.47 5.20 7.12 0.14 0.63 115.31 126.94 1x4o h LEU 24 Ca -0.01 0.31 -0.01 0.00 0.13 0.00 0.00 57.88 58.30 1x4o h LEU 24 Cb 0.35 0.79 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 1x4o h LEU 24 CO -0.12 -0.28 -0.36 0.00 -0.13 0.00 0.00 178.44 177.55 1x4o h ALA 25 N 1.17 -0.85 -0.96 1.25 0.00 -0.20 0.27 119.26 119.94 1x4o h ALA 25 Ca 0.30 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1x4o h ALA 25 Cb 0.56 0.49 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1x4o h ALA 25 CO -0.96 -1.00 0.43 0.00 0.00 0.00 0.00 179.25 177.71 1x4o h ARG 26 N -0.82 0.24 0.10 0.00 3.08 0.53 1.50 114.38 119.02 1x4o h ARG 26 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1x4o h ARG 26 Cb 0.70 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1x4o h ARG 26 CO -0.00 0.16 -0.05 0.35 -1.07 0.00 0.00 179.97 179.36 1x4o h PHE 27 N 0.25 -0.13 -1.11 3.04 3.57 0.92 -2.47 116.94 121.02 1x4o h PHE 27 Ca 0.67 -0.00 0.32 0.00 3.53 0.00 0.00 57.97 62.49 1x4o h PHE 27 Cb 1.49 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 1x4o h PHE 27 CO -0.12 -0.08 0.83 0.82 -2.23 0.00 0.00 178.31 177.53 1x4o h ILE 28 N -0.25 0.38 -0.56 1.41 2.04 0.10 1.46 117.51 122.09 1x4o h ILE 28 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1x4o h ILE 28 Cb 0.11 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1x4o h ILE 28 CO 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.14 1x4o h ALA 29 N 1.37 0.87 0.00 1.87 0.00 0.21 -1.14 119.26 122.45 1x4o h ALA 29 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1x4o h ALA 29 Cb 2.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1x4o h ALA 29 CO -0.01 0.65 0.00 -0.25 0.00 0.00 0.00 179.25 179.65 1x4o n ASP 30 N -4.17 0.49 0.00 0.00 8.00 0.50 -4.55 116.55 116.82 1x4o n ASP 30 Ca 0.02 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1x4o n ASP 30 Cb 0.36 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4o n GLY 31 N -0.43 0.81 0.00 0.44 0.00 -0.45 -5.11 105.19 100.46 1x4o n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x4o n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4o n GLY 32 N 5.00 -0.92 0.00 -0.02 0.00 -1.10 -4.94 105.19 103.21 1x4o n GLY 32 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1x4o n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 33 N 0.00 0.52 -0.10 1.61 -0.04 -1.26 -2.28 135.00 133.45 1x4o n PRO 33 Ca 0.00 0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1x4o n PRO 33 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1x4o n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.15 0.61 -0.23 0.54 2.13 -1.26 -4.16 120.64 117.12 1x4o n GLU 34 Ca 0.14 0.39 -0.07 0.00 0.66 0.00 0.00 57.16 58.28 1x4o n GLU 34 Cb 0.14 -1.65 0.06 0.00 0.27 0.00 0.00 31.44 30.26 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x4o h VAL 35 N -0.73 1.26 0.00 6.31 3.04 -1.88 -1.26 116.25 123.00 1x4o h VAL 35 Ca -0.49 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 1x4o h VAL 35 Cb 1.57 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1x4o h VAL 35 CO -0.21 0.38 0.10 -1.84 -1.01 0.00 0.00 177.57 174.99 1x4o n GLU 36 N -4.22 0.11 -0.04 4.17 0.28 -0.97 0.19 120.64 120.17 1x4o n GLU 36 Ca 0.05 0.60 -0.02 0.00 -0.16 0.00 0.00 57.16 57.62 1x4o n GLU 36 Cb 0.28 -1.97 -0.01 0.00 1.43 0.00 0.00 31.44 31.17 1x4o n GLU 36 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1x4o h THR 37 N 0.00 0.00 -0.54 3.84 2.02 -1.39 -3.17 112.91 113.66 1x4o h THR 37 Ca 0.00 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1x4o h THR 37 Cb 0.21 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1x4o h THR 37 CO 0.00 0.00 0.18 0.40 0.37 0.00 0.00 175.52 176.47 1x4o h ILE 38 N -0.52 1.23 -0.99 3.11 5.03 -1.25 1.13 117.51 125.26 1x4o h ILE 38 Ca 0.00 -0.76 0.07 0.00 -0.12 0.00 0.00 64.86 64.05 1x4o h ILE 38 Cb 0.24 0.71 -0.07 0.00 -3.03 0.00 0.00 36.82 34.67 1x4o h ILE 38 CO 0.00 0.28 0.64 0.00 -0.68 0.00 0.00 178.15 178.39 1x4o h ALA 39 N 1.04 1.38 0.01 1.87 0.00 0.18 0.31 119.26 124.06 1x4o h ALA 39 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x4o h ALA 39 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1x4o h ALA 39 CO -0.01 0.41 -0.01 -0.07 0.00 0.00 0.00 179.25 179.58 1x4o h LEU 40 N 1.14 -0.02 -1.73 0.00 3.38 -1.39 0.03 115.31 116.73 1x4o h LEU 40 Ca 0.43 -0.76 0.26 0.00 0.09 0.00 0.00 57.88 57.89 1x4o h LEU 40 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1x4o h LEU 40 CO -0.18 0.79 0.66 -0.61 0.09 0.00 0.00 178.44 179.19 1x4o h GLN 41 N -0.85 0.19 0.00 1.13 -0.00 0.17 0.50 115.11 116.25 1x4o h GLN 41 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1x4o h GLN 41 Cb 0.78 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.22 1x4o h GLN 41 CO 0.00 0.12 -0.09 -0.91 0.00 0.00 0.00 178.83 177.96 1x4o h ASN 42 N 0.19 0.00 -1.37 -0.69 2.35 -0.39 -3.31 115.58 112.35 1x4o h ASN 42 Ca 0.49 -0.02 0.40 0.00 -0.55 0.00 0.00 56.30 56.62 1x4o h ASN 42 Cb 1.59 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.88 1x4o h ASN 42 CO -0.11 0.56 0.95 0.78 -1.65 0.00 0.00 177.43 177.96 1x4o h ASN 43 N -1.00 0.13 -1.01 5.81 2.35 -0.27 0.94 115.58 122.52 1x4o h ASN 43 Ca -0.00 0.05 0.24 0.00 -0.55 0.00 0.00 56.30 56.04 1x4o h ASN 43 Cb 0.11 0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.40 1x4o h ASN 43 CO -0.00 -0.03 0.62 0.03 -1.65 0.00 0.00 177.43 176.40 1x4o h ARG 44 N 0.09 0.54 -0.15 0.81 3.08 -0.11 0.37 114.38 119.02 1x4o h ARG 44 Ca 0.71 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 60.52 1x4o h ARG 44 Cb 2.55 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.48 1x4o h ARG 44 CO -0.15 0.36 -0.74 0.93 -1.07 0.00 0.00 179.97 179.30 1x4o h GLU 45 N 0.56 0.69 -6.86 0.04 4.39 0.75 -3.44 114.58 110.72 1x4o h GLU 45 Ca 0.62 -0.55 -0.51 0.00 0.34 0.00 0.00 59.36 59.27 1x4o h GLU 45 Cb 1.25 0.11 0.04 0.00 -0.10 0.00 0.00 28.75 30.05 1x4o h GLU 45 CO -0.42 1.17 0.53 1.21 -1.16 0.00 0.00 179.01 180.34 1x4o s ASN 46 N -7.06 6.97 -0.20 1.42 3.84 0.13 -4.96 114.94 115.08 1x4o s ASN 46 Ca -0.09 2.40 -0.18 0.00 0.21 0.00 0.00 52.86 55.21 1x4o s ASN 46 Cb 0.09 -2.63 -0.20 0.00 -0.55 0.00 0.00 41.25 37.97 1x4o s ASN 46 CO 0.88 -0.37 0.17 1.67 -2.79 0.00 0.00 177.10 176.67 1x4o n GLN 47 N 0.83 0.61 -0.35 0.43 -0.06 -1.26 -4.25 117.38 113.32 1x4o n GLN 47 Ca 0.00 0.48 0.08 0.00 -2.00 0.00 0.00 57.00 55.56 1x4o n GLN 47 Cb 0.44 -1.71 0.18 0.00 -4.06 0.00 0.00 30.24 25.09 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x4o h ALA 48 N -0.43 0.80 0.00 1.69 0.00 -1.93 -1.74 119.26 117.65 1x4o h ALA 48 Ca -0.41 0.37 -0.37 0.00 0.00 0.00 0.00 54.91 54.51 1x4o h ALA 48 Cb 1.49 0.70 0.02 0.00 0.00 0.00 0.00 17.79 20.00 1x4o h ALA 48 CO -0.18 -0.44 2.40 1.19 0.00 0.00 0.00 179.25 182.22 1x4o n PHE 49 N -5.58 1.26 -0.00 0.00 3.72 -1.26 -4.13 117.46 111.46 1x4o n PHE 49 Ca 0.18 -1.78 0.02 0.00 -0.05 0.00 0.00 57.45 55.82 1x4o n PHE 49 Cb 0.57 -1.55 -0.12 0.00 -0.94 0.00 0.00 39.48 37.44 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x4o n SER 50 N 4.67 0.41 0.08 4.37 3.41 -0.66 -3.98 113.62 121.92 1x4o n SER 50 Ca 0.40 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1x4o n SER 50 Cb 0.15 0.92 0.36 0.00 -0.26 0.00 0.00 64.21 65.38 1x4o n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1x4o n PHE 51 N -2.65 0.41 0.10 7.33 1.16 -1.26 -0.39 117.46 122.17 1x4o n PHE 51 Ca -0.13 0.19 -0.18 0.00 -1.87 0.00 0.00 57.45 55.46 1x4o n PHE 51 Cb 0.81 -0.80 -0.12 0.00 -1.61 0.00 0.00 39.48 37.76 1x4o n PHE 51 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1x4o h LEU 52 N 0.00 0.61 0.00 5.98 3.38 -1.91 -2.56 115.31 120.81 1x4o h LEU 52 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1x4o h LEU 52 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1x4o h LEU 52 CO 0.00 1.44 -0.47 -1.22 0.09 0.00 0.00 178.44 178.29 1x4o n TYR 53 N -3.66 0.67 -1.54 1.13 4.01 -0.55 -4.84 117.16 112.38 1x4o n TYR 53 Ca -0.11 0.29 -0.45 0.00 -0.16 0.00 0.00 57.90 57.47 1x4o n TYR 53 Cb 0.99 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1x4o n ASP 54 N -4.17 2.80 -0.04 7.72 8.00 0.48 -4.83 116.55 126.51 1x4o n ASP 54 Ca -0.07 0.24 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1x4o n ASP 54 Cb 0.24 -1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 39.78 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4o h PRO 55 N 14.31 -0.01 -1.78 -0.24 0.13 -1.87 -3.17 132.00 139.36 1x4o h PRO 55 Ca -0.35 0.00 0.52 0.00 -0.87 0.00 0.00 66.00 65.30 1x4o h PRO 55 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 1x4o h PRO 55 CO 0.99 0.71 1.28 -0.97 -0.23 0.00 0.00 178.00 179.78 1x4o h ASN 56 N -0.76 0.01 -3.00 1.44 -0.73 -1.97 -3.35 115.58 107.22 1x4o h ASN 56 Ca -0.00 0.00 -0.57 0.00 1.87 0.00 0.00 56.30 57.60 1x4o h ASN 56 Cb 0.73 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.28 1x4o h ASN 56 CO 0.00 -0.01 1.14 -0.44 -0.37 0.00 0.00 177.43 177.76 1x4o s SER 57 N -4.20 6.22 0.59 1.15 0.01 -1.20 -4.83 113.70 111.43 1x4o s SER 57 Ca -0.05 1.12 0.33 0.00 1.31 0.00 0.00 55.95 58.66 1x4o s SER 57 Cb 0.26 -2.53 1.29 0.00 0.21 0.00 0.00 66.02 65.25 1x4o s SER 57 CO 0.87 -1.48 1.57 1.56 0.41 0.00 0.00 173.24 176.18 1x4o h GLN 58 N 11.32 0.00 -0.97 12.44 7.50 -1.88 0.80 115.11 144.33 1x4o h GLN 58 Ca -0.30 0.00 0.13 0.00 0.50 0.00 0.00 58.65 58.98 1x4o h GLN 58 Cb 1.13 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.58 1x4o h GLN 58 CO 1.05 0.00 0.62 0.78 -1.50 0.00 0.00 178.83 179.78 1x4o h GLY 59 N 0.00 1.53 1.16 3.46 0.00 -1.86 0.48 103.07 107.84 1x4o h GLY 59 Ca 0.50 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 1x4o h GLY 59 CO -0.01 0.13 0.50 -1.82 0.00 0.00 0.00 176.54 175.35 1x4o h TYR 60 N 0.90 1.08 0.26 5.60 3.20 0.11 -0.06 116.97 128.06 1x4o h TYR 60 Ca 0.49 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.35 1x4o h TYR 60 Cb 0.57 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1x4o h TYR 60 CO -0.00 0.72 -0.12 0.00 -1.64 0.00 0.00 178.16 177.11 1x4o h ARG 61 N 1.14 -0.34 -1.26 1.82 3.08 -1.09 -2.44 114.38 115.29 1x4o h ARG 61 Ca 0.30 0.02 0.36 0.00 0.07 0.00 0.00 59.98 60.73 1x4o h ARG 61 Cb -0.06 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.01 1x4o h ARG 61 CO -0.06 -0.22 0.89 -0.92 -1.07 0.00 0.00 179.97 178.59 1x4o h TYR 62 N -0.73 0.15 0.56 3.04 5.03 -1.04 -0.17 116.97 123.80 1x4o h TYR 62 Ca -0.04 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 1x4o h TYR 62 Cb 0.27 -0.04 0.01 0.00 1.55 0.00 0.00 36.73 38.51 1x4o h TYR 62 CO 0.03 -0.01 -0.27 -0.92 -1.32 0.00 0.00 178.16 175.68 1x4o h TYR 63 N 0.07 -0.69 -0.48 -3.82 3.20 -1.01 -2.98 116.97 111.26 1x4o h TYR 63 Ca 0.63 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.58 1x4o h TYR 63 Cb 2.33 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 40.73 1x4o h TYR 63 CO -0.00 -0.41 -0.16 0.00 -1.64 0.00 0.00 178.16 175.95 1x4o h ARG 64 N -1.17 -0.05 -0.48 1.82 2.47 -0.58 -2.04 114.38 114.36 1x4o h ARG 64 Ca -0.08 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 1x4o h ARG 64 Cb 0.60 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.86 1x4o h ARG 64 CO 0.13 -0.03 -0.41 0.37 0.56 0.00 0.00 179.97 180.58 1x4o h GLN 65 N -0.05 -0.15 -0.87 0.04 -0.00 -1.25 0.44 115.11 113.26 1x4o h GLN 65 Ca 0.23 0.01 0.23 0.00 -0.00 0.00 0.00 58.65 59.12 1x4o h GLN 65 Cb 0.41 0.03 -0.14 0.00 0.00 0.00 0.00 27.48 27.78 1x4o h GLN 65 CO -0.52 -0.10 0.22 0.87 0.00 0.00 0.00 178.83 179.30 1x4o h LYS 66 N -0.16 0.20 -0.15 1.69 1.79 -1.23 0.25 116.57 118.97 1x4o h LYS 66 Ca 0.08 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1x4o h LYS 66 Cb 0.37 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1x4o h LYS 66 CO -0.54 0.13 -0.31 1.25 -1.08 0.00 0.00 179.45 178.90 1x4o h LEU 67 N 0.20 -1.01 -1.04 2.94 5.85 0.45 0.17 115.31 122.88 1x4o h LEU 67 Ca 0.54 0.13 0.11 0.00 0.84 0.00 0.00 57.88 59.50 1x4o h LEU 67 Cb 1.09 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 42.44 1x4o h LEU 67 CO -0.66 -0.25 0.63 -0.78 -0.34 0.00 0.00 178.44 177.04 1x4o h ASP 68 N -0.28 0.92 -0.15 1.25 1.82 -0.20 0.28 116.42 120.07 1x4o h ASP 68 Ca 0.03 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1x4o h ASP 68 Cb 0.36 -0.15 -0.07 0.00 0.68 0.00 0.00 39.33 40.15 1x4o h ASP 68 CO -0.29 0.51 -0.50 -0.08 -1.61 0.00 0.00 179.24 177.27 1x4o h GLU 69 N 1.00 -0.53 0.12 0.28 4.22 0.18 0.17 114.58 120.03 1x4o h GLU 69 Ca 0.48 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.95 1x4o h GLU 69 Cb 0.44 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1x4o h GLU 69 CO -0.24 -0.35 -0.06 0.74 -2.18 0.00 0.00 179.01 176.92 1x4o h PHE 70 N -0.55 -0.15 -0.91 0.92 0.04 -0.10 -3.26 116.94 112.93 1x4o h PHE 70 Ca 0.05 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.91 1x4o h PHE 70 Cb 0.66 0.05 -0.12 0.00 2.20 0.00 0.00 35.95 38.75 1x4o h PHE 70 CO -0.56 0.22 -0.57 0.00 -0.60 0.00 0.00 178.31 176.80 1x4o h ARG 71 N -0.54 -0.06 -4.90 1.51 3.08 -0.19 -3.47 114.38 109.81 1x4o h ARG 71 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1x4o h ARG 71 Cb 0.43 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1x4o h ARG 71 CO 0.03 -0.04 -1.10 1.63 -1.07 0.00 0.00 179.97 179.42 1x4o n LYS 72 N -5.29 -4.29 -3.65 0.04 4.76 0.58 -4.98 118.16 105.33 1x4o n LYS 72 Ca 0.02 3.18 -0.28 0.00 -2.87 0.00 0.00 58.31 58.36 1x4o n LYS 72 Cb 0.28 -4.26 -0.11 0.00 -1.84 0.00 0.00 35.03 29.10 1x4o n LYS 72 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x4o s SER 73 N -0.54 3.19 0.00 4.39 0.01 -1.26 -5.06 113.70 114.43 1x4o s SER 73 Ca -0.12 -3.36 0.00 0.00 1.31 0.00 0.00 55.95 53.77 1x4o s SER 73 Cb 0.01 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.20 1x4o s SER 73 CO 0.33 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1x4o n GLY 74 N 2.54 1.17 3.55 3.44 0.00 -1.26 -4.67 105.19 109.96 1x4o n GLY 74 Ca 0.23 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1x4o n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4o s PRO 75 N -3.42 2.96 0.00 1.61 0.04 -1.26 -4.41 135.00 130.52 1x4o s PRO 75 Ca 0.00 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1x4o s PRO 75 Cb 0.00 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 30.02 1x4o s PRO 75 CO 0.00 -2.52 0.00 0.45 0.04 0.00 0.00 177.00 174.97 1x4o n SER 76 N 11.12 0.00 0.00 6.66 2.88 -1.26 -3.57 113.62 129.46 1x4o n SER 76 Ca 0.18 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1x4o n SER 76 Cb 0.50 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1x4o n SER 76 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4o n SER 77 N 2.71 0.15 0.00 -3.46 2.88 -1.26 -5.05 113.62 109.58 1x4o n SER 77 Ca 0.00 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1x4o n SER 77 Cb 0.00 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42