#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m s TRP 2 N 0.00 -1.47 -0.38 0.66 -0.11 -1.26 -5.13 118.94 111.25 1j7m s TRP 2 Ca 0.00 1.23 -0.21 0.00 1.22 0.00 0.00 56.10 58.33 1j7m s TRP 2 Cb 0.00 0.32 0.01 0.00 -1.50 0.00 0.00 33.47 32.30 1j7m s TRP 2 CO 0.00 -0.92 0.68 0.00 -4.62 0.00 0.00 176.95 172.09 1j7m s MET 3 N 2.76 3.58 0.40 5.86 0.23 -1.26 -5.05 119.30 125.82 1j7m s MET 3 Ca 0.15 -0.01 -0.04 0.00 -1.03 0.00 0.00 55.69 54.76 1j7m s MET 3 Cb -0.13 -3.85 -0.04 0.00 -1.53 0.00 0.00 34.83 29.27 1j7m s MET 3 CO -0.23 -0.85 0.67 -1.12 -2.03 0.00 0.00 175.02 171.46 1j7m s SER 4 N 1.88 6.33 0.76 -1.18 0.01 -1.26 -4.16 113.70 116.08 1j7m s SER 4 Ca 0.26 0.77 -0.09 0.00 1.31 0.00 0.00 55.95 58.19 1j7m s SER 4 Cb -0.14 -2.17 0.08 0.00 0.21 0.00 0.00 66.02 64.00 1j7m s SER 4 CO 0.17 -0.41 1.10 0.42 0.41 0.00 0.00 173.24 174.93 1j7m s THR 5 N -2.46 2.13 0.00 1.44 -4.23 -0.95 -4.69 115.64 106.89 1j7m s THR 5 Ca 0.45 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1j7m s THR 5 Cb -0.10 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1j7m s THR 5 CO 0.38 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.98 1j7m n VAL 6 N -3.14 0.00 0.00 2.29 0.31 -0.89 -4.82 118.33 112.08 1j7m n VAL 6 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1j7m n VAL 6 Cb 0.61 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1j7m n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j7m n GLY 7 N 5.00 2.25 4.27 2.92 0.00 -1.26 0.97 105.19 119.34 1j7m n GLY 7 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1j7m n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 8 N 0.00 0.67 0.75 -0.02 0.00 -1.26 -4.67 105.19 100.66 1j7m n GLY 8 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1j7m n GLY 8 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j7m n ASN 9 N -1.60 -0.31 0.08 1.61 2.04 -0.86 -4.92 115.26 111.31 1j7m n ASN 9 Ca 0.00 -1.52 0.05 0.00 -0.44 0.00 0.00 54.58 52.67 1j7m n ASN 9 Cb 0.00 0.07 -0.03 0.00 -2.53 0.00 0.00 39.78 37.30 1j7m n ASN 9 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1j7m h SER 10 N 0.06 0.00 0.00 0.53 4.64 -1.83 -3.49 113.55 113.47 1j7m h SER 10 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1j7m h SER 10 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1j7m h SER 10 CO -0.10 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1j7m n GLY 11 N 1.28 2.34 0.00 -0.77 0.00 -1.26 -3.49 105.19 103.29 1j7m n GLY 11 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1j7m n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 12 N 0.00 0.84 3.76 -0.02 0.00 -1.26 -4.67 105.19 103.85 1j7m n GLY 12 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1j7m n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7m s ALA 13 N -0.62 3.29 0.81 4.61 0.00 -1.23 -4.49 121.76 124.13 1j7m s ALA 13 Ca 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1j7m s ALA 13 Cb 0.00 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.07 1j7m s ALA 13 CO 0.00 0.18 1.11 -1.25 0.00 0.00 0.00 175.76 175.79 1j7m s PRO 14 N -1.52 1.28 0.38 0.00 0.04 -1.26 -2.24 135.00 131.68 1j7m s PRO 14 Ca 0.45 -0.95 -0.20 0.00 0.04 0.00 0.00 61.00 60.34 1j7m s PRO 14 Cb -0.24 -2.18 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 1j7m s PRO 14 CO 0.29 -1.80 0.88 0.00 0.04 0.00 0.00 177.00 176.41 1j7m s VAL 16 N -2.03 2.73 0.03 0.00 1.01 0.59 -4.94 120.40 117.80 1j7m s VAL 16 Ca 0.58 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.81 1j7m s VAL 16 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1j7m s VAL 16 CO 0.16 0.39 -0.25 -0.36 0.00 0.00 0.00 175.10 175.04 1j7m s PHE 17 N 1.36 2.20 0.03 5.22 0.08 -1.26 -2.98 117.98 122.63 1j7m s PHE 17 Ca 0.04 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 1j7m s PHE 17 Cb -0.15 -1.34 -0.06 0.00 -0.57 0.00 0.00 43.02 40.91 1j7m s PHE 17 CO -0.07 0.09 0.65 -1.25 -0.10 0.00 0.00 175.22 174.53 1j7m s PRO 18 N -1.10 4.37 0.00 0.24 0.05 -1.26 -5.09 135.00 132.20 1j7m s PRO 18 Ca 0.10 0.85 0.00 0.00 0.05 0.00 0.00 61.00 62.01 1j7m s PRO 18 Cb -0.10 -3.33 0.00 0.00 0.05 0.00 0.00 34.50 31.13 1j7m s PRO 18 CO 0.01 0.40 0.00 1.97 0.05 0.00 0.00 177.00 179.44 1j7m n PHE 19 N 2.51 -2.52 -3.70 0.56 -1.74 0.35 -4.85 117.46 108.07 1j7m n PHE 19 Ca -0.06 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.71 1j7m n PHE 19 Cb 0.51 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.38 1j7m n PHE 19 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1j7m s THR 20 N 0.71 -0.16 -0.06 1.97 2.01 -1.17 0.28 115.64 119.22 1j7m s THR 20 Ca 0.00 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1j7m s THR 20 Cb 0.00 -0.44 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 1j7m s THR 20 CO 0.00 0.07 -0.20 0.12 -0.69 0.00 0.00 174.62 173.93 1j7m s PHE 21 N 1.65 2.00 -1.24 4.92 5.36 0.85 -2.22 117.98 129.30 1j7m s PHE 21 Ca -0.06 -0.66 -0.03 0.00 -0.96 0.00 0.00 56.93 55.22 1j7m s PHE 21 Cb -0.11 -1.35 0.03 0.00 -0.34 0.00 0.00 43.02 41.25 1j7m s PHE 21 CO -0.09 -0.24 0.08 1.28 -1.46 0.00 0.00 175.22 174.78 1j7m n LEU 22 N 3.27 -0.72 0.00 6.12 7.99 -1.26 0.16 117.00 132.56 1j7m n LEU 22 Ca -0.19 -0.98 0.00 0.00 -0.01 0.00 0.00 56.01 54.83 1j7m n LEU 22 Cb 0.53 -1.22 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 1j7m n LEU 22 CO 0.26 0.31 0.00 0.61 -1.51 0.00 0.00 177.39 177.06 1j7m n GLY 23 N -2.00 1.20 3.38 -0.72 0.00 -1.26 -5.06 105.19 100.73 1j7m n GLY 23 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1j7m n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j7m s ASN 24 N -2.45 3.78 -0.07 1.61 0.01 0.12 -5.10 114.94 112.85 1j7m s ASN 24 Ca 0.00 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.53 1j7m s ASN 24 Cb 0.00 -1.13 -0.03 0.00 0.41 0.00 0.00 41.25 40.51 1j7m s ASN 24 CO 0.00 0.25 1.16 -0.54 -1.51 0.00 0.00 177.10 176.46 1j7m s LYS 25 N -0.19 4.36 -0.22 -0.60 -0.14 -1.26 -0.11 119.74 121.58 1j7m s LYS 25 Ca -0.01 1.61 -0.02 0.00 -1.36 0.00 0.00 55.97 56.20 1j7m s LYS 25 Cb -0.13 -3.56 0.01 0.00 -1.68 0.00 0.00 37.83 32.47 1j7m s LYS 25 CO 0.03 -0.42 -0.10 0.71 -0.76 0.00 0.00 175.35 174.81 1j7m s TYR 26 N 2.20 2.94 -0.46 3.18 2.02 0.14 -4.93 117.35 122.45 1j7m s TYR 26 Ca 0.54 -1.37 0.22 0.00 -0.37 0.00 0.00 57.07 56.09 1j7m s TYR 26 Cb -0.23 -2.03 -0.11 0.00 -0.40 0.00 0.00 41.96 39.18 1j7m s TYR 26 CO 0.21 -0.69 0.85 0.39 -1.57 0.00 0.00 175.55 174.73 1j7m n GLU 27 N 4.70 0.39 -3.94 -0.62 1.02 -1.26 -0.49 120.64 120.43 1j7m n GLU 27 Ca -0.18 -0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.69 1j7m n GLU 27 Cb 0.49 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 1j7m n GLU 27 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j7m n SER 28 N -2.06 1.96 -4.68 1.62 3.41 -1.26 -4.85 113.62 107.76 1j7m n SER 28 Ca 0.00 -2.69 -0.30 0.00 -0.26 0.00 0.00 58.87 55.62 1j7m n SER 28 Cb 0.47 0.58 0.16 0.00 -0.26 0.00 0.00 64.21 65.16 1j7m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s THR 30 N -2.85 0.00 -0.08 0.00 -1.32 0.05 -4.95 115.64 106.48 1j7m s THR 30 Ca 0.65 -1.85 0.13 0.00 -1.21 0.00 0.00 61.69 59.40 1j7m s THR 30 Cb -0.19 -2.47 0.23 0.00 -1.51 0.00 0.00 72.50 68.56 1j7m s THR 30 CO 0.58 0.00 1.11 -1.54 -2.21 0.00 0.00 174.62 172.57 1j7m n SER 31 N -0.70 1.32 -4.77 8.08 3.41 -1.26 0.12 113.62 119.82 1j7m n SER 31 Ca 0.02 -2.73 -0.40 0.00 -0.26 0.00 0.00 58.87 55.50 1j7m n SER 31 Cb 0.64 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1j7m n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s ALA 32 N -1.64 3.43 0.00 7.33 0.00 -1.26 -2.33 121.76 127.30 1j7m s ALA 32 Ca 0.23 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1j7m s ALA 32 Cb 0.22 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1j7m s ALA 32 CO -0.02 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1j7m n GLY 33 N 0.60 0.85 3.64 0.00 0.00 -1.26 -4.97 105.19 104.05 1j7m n GLY 33 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1j7m n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j7m s ARG 34 N -0.30 4.02 0.00 1.61 0.52 -0.98 -4.96 118.95 118.85 1j7m s ARG 34 Ca 0.00 -0.31 0.21 0.00 -0.52 0.00 0.00 55.73 55.12 1j7m s ARG 34 Cb 0.00 -3.40 0.55 0.00 0.52 0.00 0.00 34.95 32.62 1j7m s ARG 34 CO 0.00 0.14 1.45 0.43 0.02 0.00 0.00 175.30 177.34 1j7m n SER 35 N 4.01 2.66 0.00 0.23 7.64 -1.26 -4.65 113.62 122.25 1j7m n SER 35 Ca -0.16 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1j7m n SER 35 Cb 0.52 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1j7m n ASP 36 N 0.97 0.00 0.00 6.43 5.68 -1.26 -5.07 116.55 123.30 1j7m n ASP 36 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1j7m n ASP 36 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1j7m n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j7m n GLY 37 N 3.03 0.01 3.70 6.12 0.00 -1.26 -5.12 105.19 111.66 1j7m n GLY 37 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.47 1j7m n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j7m n LYS 38 N 0.00 1.41 -3.19 1.61 5.02 -1.26 -4.92 118.16 116.84 1j7m n LYS 38 Ca 0.00 0.52 -0.38 0.00 -2.02 0.00 0.00 58.31 56.43 1j7m n LYS 38 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 35.03 32.71 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j7m s MET 39 N 3.57 4.25 0.00 1.97 -1.94 -1.26 -4.70 119.30 121.19 1j7m s MET 39 Ca 0.96 0.81 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 1j7m s MET 39 Cb -0.97 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 32.77 1j7m s MET 39 CO 0.62 0.54 0.00 -2.67 -0.01 0.00 0.00 175.02 173.49 1j7m n TRP 40 N 1.29 0.00 -3.53 -0.03 4.27 0.33 -0.33 117.44 119.44 1j7m n TRP 40 Ca -0.07 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.40 1j7m n TRP 40 Cb 0.51 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.40 1j7m n TRP 40 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1j7m s ALA 42 N -1.41 3.31 -1.44 0.00 0.00 -1.26 -1.12 121.76 119.84 1j7m s ALA 42 Ca -0.06 0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.42 1j7m s ALA 42 Cb -0.00 -2.98 0.71 0.00 0.00 0.00 0.00 23.12 20.85 1j7m s ALA 42 CO 0.05 0.26 1.62 0.25 0.00 0.00 0.00 175.76 177.93 1j7m n THR 43 N 0.54 1.57 -4.05 0.00 -2.24 -0.27 -0.30 114.28 109.53 1j7m n THR 43 Ca 0.00 -1.13 -0.12 0.00 -2.27 0.00 0.00 64.05 60.54 1j7m n THR 43 Cb 0.51 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.88 1j7m n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1j7m s THR 44 N -1.57 0.44 0.25 4.28 -4.23 -1.26 -4.62 115.64 108.94 1j7m s THR 44 Ca 0.51 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1j7m s THR 44 Cb 0.31 -0.64 0.24 0.00 1.34 0.00 0.00 72.50 73.75 1j7m s THR 44 CO 0.28 -0.47 1.87 0.00 -0.54 0.00 0.00 174.62 175.76 1j7m h ALA 45 N 4.37 1.28 -3.71 3.99 0.00 -1.90 -3.37 119.26 119.91 1j7m h ALA 45 Ca -0.35 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 53.91 1j7m h ALA 45 Cb 1.20 -0.27 -0.38 0.00 0.00 0.00 0.00 17.79 18.34 1j7m h ALA 45 CO 0.43 0.36 -0.79 1.21 0.00 0.00 0.00 179.25 180.46 1j7m s ASN 46 N -5.84 4.07 0.15 0.00 3.84 -1.26 -3.06 114.94 112.84 1j7m s ASN 46 Ca -0.13 -1.27 -0.01 0.00 0.21 0.00 0.00 52.86 51.66 1j7m s ASN 46 Cb 0.19 -1.31 -0.05 0.00 -0.55 0.00 0.00 41.25 39.53 1j7m s ASN 46 CO 0.80 -0.22 1.34 0.22 -2.79 0.00 0.00 177.10 176.45 1j7m h TYR 47 N 7.89 0.48 -0.96 0.43 5.03 -1.61 -2.92 116.97 125.30 1j7m h TYR 47 Ca -0.18 -0.26 0.24 0.00 2.58 0.00 0.00 58.73 61.11 1j7m h TYR 47 Cb 1.06 -0.05 -0.07 0.00 1.55 0.00 0.00 36.73 39.21 1j7m h TYR 47 CO 0.55 1.07 0.64 -0.44 -1.32 0.00 0.00 178.16 178.66 1j7m h ASP 48 N 0.18 0.37 0.00 -2.11 3.32 -1.92 0.43 116.42 116.68 1j7m h ASP 48 Ca -0.06 0.05 -0.28 0.00 0.02 0.00 0.00 57.03 56.76 1j7m h ASP 48 Cb 1.53 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 1j7m h ASP 48 CO 0.15 0.12 -1.75 0.47 -1.72 0.00 0.00 179.24 176.50 1j7m n ASP 49 N -4.51 1.92 0.11 6.45 8.00 -1.23 -4.64 116.55 122.64 1j7m n ASP 49 Ca 0.21 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1j7m n ASP 49 Cb 0.81 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1j7m n ASP 49 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1j7m h ASP 50 N -1.00 0.00 -6.70 -2.24 5.19 -1.49 -3.48 116.42 106.70 1j7m h ASP 50 Ca -0.43 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.44 1j7m h ASP 50 Cb 1.32 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.73 1j7m h ASP 50 CO -0.26 0.62 -0.92 0.54 -3.12 0.00 0.00 179.24 176.10 1j7m n ARG 51 N -3.21 -2.35 -4.13 3.56 1.74 0.15 -4.97 116.66 107.45 1j7m n ARG 51 Ca -0.00 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.03 1j7m n ARG 51 Cb 0.79 -4.14 -0.15 0.00 -1.02 0.00 0.00 32.46 27.95 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j7m s LYS 52 N -6.84 3.27 0.36 5.56 1.02 -1.26 -5.06 119.74 116.79 1j7m s LYS 52 Ca 0.03 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.36 1j7m s LYS 52 Cb -0.01 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1j7m s LYS 52 CO 0.93 -0.13 0.08 1.67 -0.92 0.00 0.00 175.35 176.98 1j7m s TRP 53 N 1.22 1.88 -0.28 3.18 1.48 -1.26 -1.12 118.94 124.04 1j7m s TRP 53 Ca 0.02 -1.09 -0.25 0.00 -1.06 0.00 0.00 56.10 53.72 1j7m s TRP 53 Cb -0.14 -1.24 0.12 0.00 -1.16 0.00 0.00 33.47 31.05 1j7m s TRP 53 CO -0.04 -0.11 1.03 0.20 -4.06 0.00 0.00 176.95 173.96 1j7m s GLY 54 N -3.54 -0.16 0.74 3.67 0.00 -0.28 -2.02 107.32 105.72 1j7m s GLY 54 Ca 0.30 2.64 -0.15 0.00 0.00 0.00 0.00 44.72 47.51 1j7m s GLY 54 CO 0.14 1.79 1.25 -1.36 0.00 0.00 0.00 173.10 174.93 1j7m s PHE 55 N 0.16 1.91 -0.15 1.90 0.08 0.27 0.68 117.98 122.84 1j7m s PHE 55 Ca 0.03 1.59 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 1j7m s PHE 55 Cb -0.05 -3.59 -0.05 0.00 -0.57 0.00 0.00 43.02 38.77 1j7m s PHE 55 CO -0.06 -2.91 1.76 0.00 -0.10 0.00 0.00 175.22 173.91 1j7m n PRO 57 N 7.69 0.90 -3.05 0.00 -0.04 -1.26 -4.02 135.00 135.21 1j7m n PRO 57 Ca 0.20 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.51 1j7m n PRO 57 Cb 0.44 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1j7m n PRO 57 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j7m n ASP 58 N -0.89 -1.85 -4.76 3.54 2.03 -1.26 -5.07 116.55 108.28 1j7m n ASP 58 Ca 0.17 -2.72 -0.40 0.00 0.52 0.00 0.00 54.79 52.36 1j7m n ASP 58 Cb 0.08 0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 1j7m n ASP 58 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1j7m s GLN 59 N 0.32 4.75 0.00 -0.67 -0.21 -1.26 -5.04 119.66 117.55 1j7m s GLN 59 Ca 0.32 1.36 0.00 0.00 0.02 0.00 0.00 55.36 57.06 1j7m s GLN 59 Cb 0.06 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.79 1j7m s GLN 59 CO -0.14 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.98