#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4p s ASP 2 N 0.00 6.40 0.01 0.00 1.01 -1.26 -1.79 116.67 121.03 1r4p s ASP 2 Ca 0.00 -0.15 -0.18 0.00 0.71 0.00 0.00 52.55 52.93 1r4p s ASP 2 Cb 0.00 -2.37 -0.32 0.00 1.01 0.00 0.00 42.92 41.24 1r4p s ASP 2 CO 0.00 -0.88 1.00 0.00 0.21 0.00 0.00 175.17 175.50 1r4p s ALA 4 N -2.69 -1.32 -0.03 0.00 0.00 -1.19 -4.99 121.76 111.54 1r4p s ALA 4 Ca -0.11 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1r4p s ALA 4 Cb 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1r4p s ALA 4 CO 0.90 -0.31 0.06 0.21 0.00 0.00 0.00 175.76 176.62 1r4p s LYS 5 N -1.00 -0.00 0.00 0.00 2.20 -1.26 -0.59 119.74 119.09 1r4p s LYS 5 Ca -0.10 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1r4p s LYS 5 Cb -0.03 -0.24 0.00 0.00 -1.51 0.00 0.00 37.83 36.06 1r4p s LYS 5 CO 0.06 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1r4p n GLY 6 N 4.24 -2.46 3.88 5.54 0.00 -0.40 -4.49 105.19 111.49 1r4p n GLY 6 Ca -0.27 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1r4p n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r4p s LYS 7 N -1.96 3.29 -0.14 1.61 1.02 -1.26 -0.58 119.74 121.72 1r4p s LYS 7 Ca 0.00 0.63 -0.26 0.00 0.02 0.00 0.00 55.97 56.36 1r4p s LYS 7 Cb 0.00 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1r4p s LYS 7 CO 0.00 -0.76 0.84 0.42 -0.92 0.00 0.00 175.35 174.93 1r4p s ILE 8 N -3.25 4.89 -0.00 2.17 1.01 -1.26 -4.28 121.20 120.47 1r4p s ILE 8 Ca 0.56 1.67 -0.19 0.00 0.00 0.00 0.00 60.65 62.69 1r4p s ILE 8 Cb -0.11 -4.15 -0.33 0.00 0.01 0.00 0.00 42.46 37.88 1r4p s ILE 8 CO 0.53 0.06 0.97 -0.33 0.00 0.00 0.00 174.94 176.17 1r4p h GLU 9 N 7.22 0.44 -3.18 2.79 5.08 -0.77 -3.47 114.58 122.70 1r4p h GLU 9 Ca -0.31 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.31 1r4p h GLU 9 Cb 1.14 0.26 -0.10 0.00 0.50 0.00 0.00 28.75 30.56 1r4p h GLU 9 CO 0.82 1.34 0.10 -0.59 -1.00 0.00 0.00 179.01 179.69 1r4p s PHE 10 N -2.59 -0.25 0.17 4.33 -0.12 -1.25 -4.98 117.98 113.28 1r4p s PHE 10 Ca -0.11 -0.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.74 1r4p s PHE 10 Cb 0.03 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1r4p s PHE 10 CO 0.89 -0.93 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.53 1r4p s SER 11 N -2.84 1.68 -0.28 1.98 1.04 -1.26 -1.52 113.70 112.50 1r4p s SER 11 Ca 0.07 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.23 1r4p s SER 11 Cb -0.02 0.02 0.08 0.00 0.10 0.00 0.00 66.02 66.20 1r4p s SER 11 CO -0.05 -0.41 0.70 -0.75 0.98 0.00 0.00 173.24 173.72 1r4p s LYS 12 N -3.80 0.74 -0.19 4.02 2.20 0.70 -4.95 119.74 118.46 1r4p s LYS 12 Ca 0.20 1.15 -0.11 0.00 -0.36 0.00 0.00 55.97 56.85 1r4p s LYS 12 Cb 0.04 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.53 1r4p s LYS 12 CO 0.02 -0.13 0.17 -0.47 -0.36 0.00 0.00 175.35 174.58 1r4p s TYR 13 N 1.27 3.43 0.15 4.03 5.04 -1.26 0.32 117.35 130.34 1r4p s TYR 13 Ca -0.07 0.40 0.04 0.00 -2.44 0.00 0.00 57.07 55.01 1r4p s TYR 13 Cb -0.05 -2.19 -0.04 0.00 0.35 0.00 0.00 41.96 40.04 1r4p s TYR 13 CO -0.14 0.31 0.17 -0.80 -1.34 0.00 0.00 175.55 173.75 1r4p s ASN 14 N 0.29 5.71 0.56 4.32 0.01 0.32 -4.98 114.94 121.18 1r4p s ASN 14 Ca 0.10 -0.05 0.26 0.00 -0.71 0.00 0.00 52.86 52.46 1r4p s ASN 14 Cb -0.12 -1.56 1.51 0.00 0.41 0.00 0.00 41.25 41.50 1r4p s ASN 14 CO -0.00 0.07 2.05 -0.33 -1.51 0.00 0.00 177.10 177.38 1r4p h GLU 15 N 2.41 0.00 -0.85 -0.60 5.08 -1.98 0.49 114.58 119.12 1r4p h GLU 15 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1r4p h GLU 15 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1r4p h GLU 15 CO 0.65 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.26 1r4p n ASP 16 N -4.07 1.78 -3.33 1.42 5.75 -1.26 -4.86 116.55 111.97 1r4p n ASP 16 Ca 0.04 -2.16 -0.21 0.00 -0.01 0.00 0.00 54.79 52.46 1r4p n ASP 16 Cb 0.43 -0.49 0.08 0.00 -1.03 0.00 0.00 41.12 40.10 1r4p n ASP 16 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1r4p n ASP 17 N 0.10 -5.38 -4.40 -1.12 2.03 0.16 -5.02 116.55 102.92 1r4p n ASP 17 Ca 0.05 -0.51 -0.25 0.00 0.52 0.00 0.00 54.79 54.60 1r4p n ASP 17 Cb 0.40 -4.68 -0.11 0.00 -0.72 0.00 0.00 41.12 36.00 1r4p n ASP 17 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1r4p s THR 18 N -3.30 2.22 -0.17 5.18 -4.23 -1.24 -4.65 115.64 109.45 1r4p s THR 18 Ca 0.45 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1r4p s THR 18 Cb -0.20 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.60 1r4p s THR 18 CO 0.67 -0.22 -0.11 0.12 -0.54 0.00 0.00 174.62 174.55 1r4p s PHE 19 N -1.91 2.16 -0.08 3.99 5.36 0.61 -0.52 117.98 127.59 1r4p s PHE 19 Ca 0.21 -1.34 -0.08 0.00 -0.96 0.00 0.00 56.93 54.76 1r4p s PHE 19 Cb -0.07 -1.55 -0.04 0.00 -0.34 0.00 0.00 43.02 41.02 1r4p s PHE 19 CO 0.10 -0.68 0.21 0.99 -1.46 0.00 0.00 175.22 174.37 1r4p s THR 20 N 1.48 5.39 0.09 0.12 2.01 0.15 -0.29 115.64 124.59 1r4p s THR 20 Ca 0.01 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.40 1r4p s THR 20 Cb -0.15 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1r4p s THR 20 CO -0.09 0.58 -0.16 0.68 -0.69 0.00 0.00 174.62 174.94 1r4p s VAL 21 N -1.07 1.31 -0.20 3.82 -7.23 -0.07 -0.22 120.40 116.74 1r4p s VAL 21 Ca 0.18 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 58.90 1r4p s VAL 21 Cb -0.13 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1r4p s VAL 21 CO 0.07 -0.20 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.86 1r4p s LYS 22 N -1.89 3.41 -0.06 4.82 2.20 -0.58 -1.44 119.74 126.20 1r4p s LYS 22 Ca 0.02 -0.62 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1r4p s LYS 22 Cb -0.09 -2.95 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1r4p s LYS 22 CO 0.03 -0.10 -0.09 0.08 -0.36 0.00 0.00 175.35 174.91 1r4p s VAL 23 N 1.23 0.88 -1.39 4.02 1.01 0.85 0.05 120.40 127.05 1r4p s VAL 23 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1r4p s VAL 23 Cb -0.14 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1r4p s VAL 23 CO -0.02 0.30 0.59 -0.67 0.00 0.00 0.00 175.10 175.31 1r4p n ASP 24 N 4.02 -1.15 0.00 3.32 2.03 -1.26 -0.99 116.55 122.52 1r4p n ASP 24 Ca -0.22 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1r4p n ASP 24 Cb 0.51 -3.50 0.00 0.00 -0.72 0.00 0.00 41.12 37.42 1r4p n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r4p n GLY 25 N -1.77 0.34 3.33 0.27 0.00 -1.26 -4.98 105.19 101.12 1r4p n GLY 25 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1r4p n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r4p s LYS 26 N -0.80 1.83 -0.13 1.61 2.47 -0.16 -5.12 119.74 119.43 1r4p s LYS 26 Ca 0.00 -1.06 -0.07 0.00 -1.56 0.00 0.00 55.97 53.29 1r4p s LYS 26 Cb 0.00 -1.95 -0.04 0.00 -1.46 0.00 0.00 37.83 34.38 1r4p s LYS 26 CO 0.00 0.51 0.11 -1.21 0.16 0.00 0.00 175.35 174.92 1r4p s GLU 27 N -1.10 3.50 0.05 4.03 2.02 -1.26 -0.11 118.70 125.83 1r4p s GLU 27 Ca 0.11 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.89 1r4p s GLU 27 Cb -0.10 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1r4p s GLU 27 CO 0.01 0.67 -0.03 0.71 0.02 0.00 0.00 175.26 176.64 1r4p s TYR 28 N -0.72 0.49 0.10 1.61 2.02 -0.52 -0.19 117.35 120.14 1r4p s TYR 28 Ca 0.13 -0.97 0.02 0.00 -0.37 0.00 0.00 57.07 55.88 1r4p s TYR 28 Cb -0.12 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 1r4p s TYR 28 CO 0.03 -0.34 -0.06 1.67 -1.57 0.00 0.00 175.55 175.28 1r4p s TRP 29 N -3.46 0.91 -0.00 2.71 1.48 -0.65 -0.89 118.94 119.04 1r4p s TRP 29 Ca 0.03 -0.92 -0.03 0.00 -1.06 0.00 0.00 56.10 54.12 1r4p s TRP 29 Cb 0.05 -0.53 -0.00 0.00 -1.16 0.00 0.00 33.47 31.82 1r4p s TRP 29 CO -0.08 -0.15 0.06 -0.08 -4.06 0.00 0.00 176.95 172.63 1r4p s THR 30 N -3.63 0.06 -0.94 0.66 -1.32 0.60 -0.53 115.64 110.55 1r4p s THR 30 Ca 0.13 -0.51 0.14 0.00 -1.21 0.00 0.00 61.69 60.24 1r4p s THR 30 Cb 0.05 -0.25 0.45 0.00 -1.51 0.00 0.00 72.50 71.24 1r4p s THR 30 CO -0.04 -0.28 1.38 -1.20 -2.21 0.00 0.00 174.62 172.26 1r4p n SER 31 N 2.09 3.50 -4.63 8.08 7.64 -1.26 -0.28 113.62 128.76 1r4p n SER 31 Ca -0.19 -2.25 -0.43 0.00 1.01 0.00 0.00 58.87 57.01 1r4p n SER 31 Cb 0.57 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1r4p n SER 31 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r4p s ARG 32 N -1.46 3.90 0.43 1.43 1.81 -1.26 -4.86 118.95 118.93 1r4p s ARG 32 Ca 0.34 1.05 0.16 0.00 -1.72 0.00 0.00 55.73 55.56 1r4p s ARG 32 Cb 0.21 -3.85 0.95 0.00 -0.45 0.00 0.00 34.95 31.80 1r4p s ARG 32 CO 0.18 -1.14 1.93 -1.49 -0.68 0.00 0.00 175.30 174.10 1r4p h TRP 33 N 9.03 0.00 -0.87 -0.53 4.06 -1.97 -1.37 115.95 124.30 1r4p h TRP 33 Ca -0.24 0.00 0.19 0.00 2.06 0.00 0.00 58.89 60.90 1r4p h TRP 33 Cb 1.08 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.18 1r4p h TRP 33 CO 0.89 0.26 0.57 -0.91 -3.56 0.00 0.00 178.44 175.69 1r4p h ASN 34 N 0.00 0.41 1.35 -3.49 2.35 -2.01 -0.18 115.58 114.01 1r4p h ASN 34 Ca -0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1r4p h ASN 34 Cb 0.48 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1r4p h ASN 34 CO 0.03 0.18 0.00 0.18 -1.65 0.00 0.00 177.43 176.17 1r4p n LEU 35 N -4.50 0.71 0.22 1.61 4.77 -0.52 -3.84 117.00 115.45 1r4p n LEU 35 Ca 0.18 0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 56.59 1r4p n LEU 35 Cb 0.65 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1r4p n LEU 35 CO 0.31 -0.20 0.66 1.56 -1.33 0.00 0.00 177.39 178.39 1r4p h GLN 36 N 0.00 -0.51 -0.53 3.23 4.20 -1.07 0.39 115.11 120.82 1r4p h GLN 36 Ca 0.00 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1r4p h GLN 36 Cb 0.68 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1r4p h GLN 36 CO 0.00 -0.27 0.06 -1.00 -0.67 0.00 0.00 178.83 176.96 1r4p h PRO 37 N -0.65 0.85 -0.28 1.46 0.13 -1.71 0.79 132.00 132.60 1r4p h PRO 37 Ca -0.05 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1r4p h PRO 37 Cb 0.47 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1r4p h PRO 37 CO 0.09 0.81 0.15 -0.07 -0.23 0.00 0.00 178.00 178.75 1r4p h LEU 38 N 0.81 0.35 -0.29 1.56 3.38 -1.62 0.16 115.31 119.65 1r4p h LEU 38 Ca 0.16 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1r4p h LEU 38 Cb 0.39 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1r4p h LEU 38 CO 0.01 0.35 -0.26 -0.07 0.09 0.00 0.00 178.44 178.56 1r4p h LEU 39 N 0.33 0.74 -0.76 1.67 3.38 -0.04 -0.05 115.31 120.57 1r4p h LEU 39 Ca 0.10 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1r4p h LEU 39 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1r4p h LEU 39 CO -0.01 1.05 0.08 -0.61 0.09 0.00 0.00 178.44 179.03 1r4p h GLN 40 N 0.44 1.02 -0.80 1.13 4.15 -0.78 0.26 115.11 120.53 1r4p h GLN 40 Ca 0.05 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.17 1r4p h GLN 40 Cb 0.83 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.36 1r4p h GLN 40 CO 0.07 0.95 0.38 0.77 -1.93 0.00 0.00 178.83 179.07 1r4p h SER 41 N 0.95 1.06 -0.71 -0.69 0.02 -0.55 0.71 113.55 114.35 1r4p h SER 41 Ca 0.19 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1r4p h SER 41 Cb 0.45 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1r4p h SER 41 CO 0.01 0.90 0.42 0.00 -1.14 0.00 0.00 176.83 177.03 1r4p h ALA 42 N 1.20 0.90 -0.15 3.77 0.00 -0.38 -1.78 119.26 122.82 1r4p h ALA 42 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1r4p h ALA 42 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1r4p h ALA 42 CO -0.03 0.38 0.08 0.37 0.00 0.00 0.00 179.25 180.06 1r4p h GLN 43 N 0.97 0.20 0.00 0.00 4.15 0.29 0.16 115.11 120.88 1r4p h GLN 43 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1r4p h GLN 43 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1r4p h GLN 43 CO -0.05 0.20 0.00 1.47 -1.93 0.00 0.00 178.83 178.52 1r4p n LEU 44 N -4.95 0.69 -0.61 -2.39 -0.00 0.17 -2.64 117.00 107.27 1r4p n LEU 44 Ca -0.04 0.59 0.08 0.00 -0.00 0.00 0.00 56.01 56.63 1r4p n LEU 44 Cb 0.06 -0.41 0.07 0.00 -0.00 0.00 0.00 43.42 43.14 1r4p n LEU 44 CO 0.34 -0.28 0.49 0.35 -0.00 0.00 0.00 177.39 178.30 1r4p n THR 45 N -2.17 0.02 -2.18 1.47 -2.24 -0.68 -4.99 114.28 103.50 1r4p n THR 45 Ca 0.05 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1r4p n THR 45 Cb 0.36 1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 1r4p n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r4p n GLY 46 N 0.85 -0.04 3.76 3.38 0.00 -0.26 -4.99 105.19 107.90 1r4p n GLY 46 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1r4p n GLY 46 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r4p s MET 47 N -4.49 2.73 -0.21 1.61 -1.94 -0.12 -4.88 119.30 112.01 1r4p s MET 47 Ca 0.00 1.46 -0.19 0.00 -1.71 0.00 0.00 55.69 55.25 1r4p s MET 47 Cb 0.00 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 34.88 1r4p s MET 47 CO 0.00 -1.31 0.56 0.99 -0.01 0.00 0.00 175.02 175.25 1r4p s THR 48 N -2.25 5.06 0.07 2.05 2.01 0.14 -4.29 115.64 118.43 1r4p s THR 48 Ca 0.68 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.77 1r4p s THR 48 Cb -0.22 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1r4p s THR 48 CO 0.41 0.14 -0.04 0.68 -0.69 0.00 0.00 174.62 175.12 1r4p s VAL 49 N 1.84 3.82 -0.28 3.82 -7.23 0.25 -0.95 120.40 121.67 1r4p s VAL 49 Ca 0.26 -0.97 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1r4p s VAL 49 Cb -0.16 -2.77 0.06 0.00 0.56 0.00 0.00 36.38 34.07 1r4p s VAL 49 CO 0.10 0.20 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.14 1r4p s THR 50 N -1.21 2.57 -0.03 5.32 2.01 0.53 -1.27 115.64 123.56 1r4p s THR 50 Ca 0.22 -1.54 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 1r4p s THR 50 Cb -0.11 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1r4p s THR 50 CO 0.14 -0.09 1.05 -0.63 -0.69 0.00 0.00 174.62 174.40 1r4p s ILE 51 N 1.17 4.64 -0.01 1.82 -1.09 0.25 -0.98 121.20 127.00 1r4p s ILE 51 Ca -0.06 1.91 0.06 0.00 -2.23 0.00 0.00 60.65 60.32 1r4p s ILE 51 Cb -0.20 -4.22 -0.02 0.00 -1.58 0.00 0.00 42.46 36.44 1r4p s ILE 51 CO -0.03 0.09 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.04 1r4p s LYS 52 N 1.47 1.44 0.16 2.79 1.02 0.06 -0.01 119.74 126.67 1r4p s LYS 52 Ca 0.52 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.59 1r4p s LYS 52 Cb -0.22 -1.41 0.06 0.00 -0.52 0.00 0.00 37.83 35.74 1r4p s LYS 52 CO 0.24 0.38 0.85 0.45 -0.92 0.00 0.00 175.35 176.36 1r4p s SER 53 N -0.53 -0.27 0.15 2.83 0.15 -0.74 -3.61 113.70 111.68 1r4p s SER 53 Ca 0.07 -0.34 0.15 0.00 0.70 0.00 0.00 55.95 56.53 1r4p s SER 53 Cb -0.07 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.71 1r4p s SER 53 CO -0.00 -0.96 1.09 0.77 1.20 0.00 0.00 173.24 175.33 1r4p h SER 54 N 2.00 0.00 -3.10 5.45 4.64 -1.94 -0.36 113.55 120.25 1r4p h SER 54 Ca -0.24 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.35 1r4p h SER 54 Cb 1.25 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.11 1r4p h SER 54 CO 0.27 0.58 0.08 0.42 -0.87 0.00 0.00 176.83 177.31 1r4p s THR 55 N -2.92 5.08 -1.61 2.95 -4.23 -1.26 -4.86 115.64 108.79 1r4p s THR 55 Ca -0.00 -1.48 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 1r4p s THR 55 Cb 0.08 -4.47 0.64 0.00 1.34 0.00 0.00 72.50 70.09 1r4p s THR 55 CO 0.79 -1.07 1.53 0.00 -0.54 0.00 0.00 174.62 175.33 1r4p s GLU 57 N -1.45 4.28 0.46 0.00 1.03 -1.26 -4.93 118.70 116.84 1r4p s GLU 57 Ca 0.46 2.06 -0.23 0.00 0.03 0.00 0.00 54.97 57.30 1r4p s GLU 57 Cb 0.27 -2.96 -0.10 0.00 -0.80 0.00 0.00 34.13 30.54 1r4p s GLU 57 CO 0.27 -0.19 0.92 0.45 -1.33 0.00 0.00 175.26 175.37 1r4p n SER 58 N 0.62 0.78 -0.03 0.83 2.88 -1.26 -1.99 113.62 115.44 1r4p n SER 58 Ca 0.01 0.96 -0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1r4p n SER 58 Cb 0.43 -1.32 -0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1r4p n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r4p n GLY 59 N 1.31 0.25 3.96 0.46 0.00 0.73 -4.99 105.19 106.91 1r4p n GLY 59 Ca 0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1r4p n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r4p s SER 60 N -2.03 5.52 0.49 1.61 1.04 -0.84 -4.75 113.70 114.73 1r4p s SER 60 Ca 0.00 0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.48 1r4p s SER 60 Cb 0.00 -1.16 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 1r4p s SER 60 CO 0.00 -0.95 0.81 -0.83 0.98 0.00 0.00 173.24 173.25 1r4p s GLY 61 N -4.33 1.57 0.09 7.32 0.00 -1.26 -1.63 107.32 109.08 1r4p s GLY 61 Ca 0.53 -0.42 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 1r4p s GLY 61 CO 0.38 -0.24 0.19 -0.11 0.00 0.00 0.00 173.10 173.31 1r4p s PHE 62 N -2.74 0.20 0.00 1.90 -0.71 0.32 -4.84 117.98 112.10 1r4p s PHE 62 Ca 0.49 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 1r4p s PHE 62 Cb -0.10 -0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 1r4p s PHE 62 CO 0.44 -0.55 0.68 0.00 -1.34 0.00 0.00 175.22 174.45 1r4p n ALA 63 N -0.07 1.85 -3.65 1.99 0.00 -1.26 -4.40 120.51 114.97 1r4p n ALA 63 Ca -0.14 -0.47 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 1r4p n ALA 63 Cb 0.62 -0.22 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 1r4p n ALA 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1r4p s GLU 64 N 0.00 1.12 -0.23 0.00 2.12 -1.24 -5.08 118.70 115.39 1r4p s GLU 64 Ca 0.00 -0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.01 1r4p s GLU 64 Cb 0.00 -1.11 0.07 0.00 0.26 0.00 0.00 34.13 33.35 1r4p s GLU 64 CO 0.00 -0.12 0.57 0.54 -0.54 0.00 0.00 175.26 175.71 1r4p s VAL 65 N 1.13 -0.01 -0.01 3.70 0.11 -1.26 -0.76 120.40 123.31 1r4p s VAL 65 Ca -0.07 0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1r4p s VAL 65 Cb -0.14 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1r4p s VAL 65 CO -0.01 0.01 0.22 -1.58 -3.33 0.00 0.00 175.10 170.41 1r4p s GLN 66 N 1.20 3.50 -0.08 1.54 0.74 -0.15 -4.90 119.66 121.51 1r4p s GLN 66 Ca -0.07 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1r4p s GLN 66 Cb -0.06 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.96 1r4p s GLN 66 CO -0.12 0.67 -0.21 -0.06 -0.55 0.00 0.00 175.29 175.01 1r4p s PHE 67 N -1.31 2.21 0.02 1.67 0.40 -1.26 -0.35 117.98 119.36 1r4p s PHE 67 Ca 0.27 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 55.80 1r4p s PHE 67 Cb -0.13 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1r4p s PHE 67 CO 0.17 -0.32 -0.07 -0.80 0.70 0.00 0.00 175.22 174.89 1r4p s ASN 68 N 0.27 0.83 0.20 1.36 -0.87 -0.12 -4.98 114.94 111.62 1r4p s ASN 68 Ca -0.13 -0.29 -0.05 0.00 -1.57 0.00 0.00 52.86 50.82 1r4p s ASN 68 Cb -0.16 -0.04 0.13 0.00 -0.02 0.00 0.00 41.25 41.16 1r4p s ASN 68 CO 0.06 -0.03 1.55 0.78 -2.57 0.00 0.00 177.10 176.89 1r4p h ASN 69 N 5.38 0.73 0.00 -1.22 2.35 -1.93 0.40 115.58 121.29 1r4p h ASN 69 Ca -0.32 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1r4p h ASN 69 Cb 1.19 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1r4p h ASN 69 CO 0.46 1.05 0.00 -0.90 -1.65 0.00 0.00 177.43 176.39