#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m n TRP 2 N 0.00 0.41 -0.68 7.33 8.01 -1.26 -5.12 117.44 126.13 1j7m n TRP 2 Ca 0.00 -1.72 0.00 0.00 -1.31 0.00 0.00 57.50 54.47 1j7m n TRP 2 Cb 0.00 -0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.05 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1j7m n MET 3 N -1.01 0.08 0.00 -0.99 0.00 -1.26 -5.06 117.12 108.88 1j7m n MET 3 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.58 1j7m n MET 3 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.67 1j7m n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1j7m n SER 4 N -2.27 -0.02 -4.58 3.17 7.64 -1.26 -4.82 113.62 111.47 1j7m n SER 4 Ca 0.00 -0.27 -0.28 0.00 1.01 0.00 0.00 58.87 59.33 1j7m n SER 4 Cb 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 1j7m n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1j7m s THR 5 N -0.28 2.04 0.00 0.44 -4.23 -1.23 -4.50 115.64 107.87 1j7m s THR 5 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1j7m s THR 5 Cb 0.00 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1j7m s THR 5 CO 0.00 -0.02 0.62 0.52 -0.54 0.00 0.00 174.62 175.20 1j7m n VAL 6 N -4.55 0.38 -1.79 2.29 0.31 -1.11 -4.81 118.33 109.05 1j7m n VAL 6 Ca 0.04 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 1j7m n VAL 6 Cb 0.56 0.95 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 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 -0.19 3.75 7.00 2.92 0.00 -1.26 -4.63 105.19 112.78 1j7m n GLY 7 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.46 0.61 -0.02 0.00 -1.26 -3.48 105.19 99.58 1j7m n GLY 8 Ca 0.00 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.66 2.25 -0.05 1.61 2.04 -0.95 -4.55 115.26 114.94 1j7m n ASN 9 Ca 0.00 -1.62 -0.03 0.00 -0.44 0.00 0.00 54.58 52.49 1j7m n ASN 9 Cb 0.00 0.11 -0.01 0.00 -2.53 0.00 0.00 39.78 37.35 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1j7m h SER 10 N 3.01 0.00 0.00 0.53 0.02 -1.71 -3.48 113.55 111.91 1j7m h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j7m h SER 10 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1j7m h SER 10 CO 0.00 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 1j7m n GLY 11 N 1.68 1.85 0.08 -3.77 0.00 -1.23 -4.32 105.19 99.48 1j7m n GLY 11 Ca -0.05 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.33 3.75 -0.02 0.00 -1.26 -3.50 105.19 102.83 1j7m n GLY 12 Ca 0.00 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.33 3.35 0.77 4.61 0.00 -1.26 -4.73 121.76 121.17 1j7m s ALA 13 Ca -0.00 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1j7m s ALA 13 Cb 0.12 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1j7m s ALA 13 CO 0.80 0.12 1.10 -2.14 0.00 0.00 0.00 175.76 175.64 1j7m s PRO 14 N -1.20 2.32 0.16 0.00 0.02 -1.26 -3.71 135.00 131.33 1j7m s PRO 14 Ca 0.42 0.56 -0.19 0.00 0.02 0.00 0.00 61.00 61.81 1j7m s PRO 14 Cb -0.27 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 1j7m s PRO 14 CO 0.34 -1.43 0.65 0.00 -0.33 0.00 0.00 177.00 176.23 1j7m s VAL 16 N -1.36 3.93 0.03 0.00 1.01 0.43 -4.93 120.40 119.51 1j7m s VAL 16 Ca 0.37 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1j7m s VAL 16 Cb -0.18 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1j7m s VAL 16 CO 0.21 0.38 -0.23 -0.36 0.00 0.00 0.00 175.10 175.10 1j7m s PHE 17 N 1.46 2.41 0.11 5.22 0.08 -1.26 -3.20 117.98 122.80 1j7m s PHE 17 Ca 0.05 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.53 1j7m s PHE 17 Cb -0.15 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 40.79 1j7m s PHE 17 CO 0.01 0.14 0.64 -1.25 -0.10 0.00 0.00 175.22 174.67 1j7m s PRO 18 N -1.19 4.32 0.24 0.24 0.04 -1.26 -5.08 135.00 132.31 1j7m s PRO 18 Ca 0.12 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.07 1j7m s PRO 18 Cb -0.10 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 31.24 1j7m s PRO 18 CO 0.02 0.61 0.27 1.97 0.04 0.00 0.00 177.00 179.91 1j7m n PHE 19 N 1.63 -2.02 -3.73 0.56 -1.74 0.80 -4.80 117.46 108.15 1j7m n PHE 19 Ca -0.08 -0.93 -0.16 0.00 -0.56 0.00 0.00 57.45 55.72 1j7m n PHE 19 Cb 0.50 -0.21 -0.16 0.00 1.52 0.00 0.00 39.48 41.13 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 -0.78 -0.09 0.03 1.97 2.01 -1.20 0.77 115.64 118.35 1j7m s THR 20 Ca 0.20 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.50 1j7m s THR 20 Cb -0.02 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1j7m s THR 20 CO 0.13 0.11 -0.12 0.12 -0.69 0.00 0.00 174.62 174.17 1j7m s PHE 21 N 1.44 1.04 -0.86 4.92 5.36 -0.00 -2.42 117.98 127.46 1j7m s PHE 21 Ca -0.05 -0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 55.49 1j7m s PHE 21 Cb -0.12 -0.63 0.11 0.00 -0.34 0.00 0.00 43.02 42.04 1j7m s PHE 21 CO -0.04 0.01 0.27 1.28 -1.46 0.00 0.00 175.22 175.28 1j7m n LEU 22 N 2.08 -0.38 0.00 6.12 7.99 -1.26 0.88 117.00 132.43 1j7m n LEU 22 Ca -0.18 -0.34 0.00 0.00 -0.01 0.00 0.00 56.01 55.48 1j7m n LEU 22 Cb 0.55 -1.18 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1j7m n LEU 22 CO 0.23 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.77 1j7m n GLY 23 N -0.73 1.09 3.57 -0.72 0.00 -1.26 -5.05 105.19 102.10 1j7m n GLY 23 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.03 4.68 -0.18 1.61 0.01 0.25 -5.09 114.94 113.20 1j7m s ASN 24 Ca 0.00 -0.03 -0.29 0.00 -0.71 0.00 0.00 52.86 51.83 1j7m s ASN 24 Cb 0.00 -1.26 -0.00 0.00 0.41 0.00 0.00 41.25 40.40 1j7m s ASN 24 CO 0.00 0.34 1.05 -0.54 -1.51 0.00 0.00 177.10 176.44 1j7m s LYS 25 N -0.66 4.32 -0.38 -0.60 1.02 -1.26 -0.82 119.74 121.35 1j7m s LYS 25 Ca 0.10 1.41 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 1j7m s LYS 25 Cb -0.11 -3.61 0.06 0.00 -0.52 0.00 0.00 37.83 33.64 1j7m s LYS 25 CO 0.02 -0.52 0.19 0.71 -0.92 0.00 0.00 175.35 174.82 1j7m s TYR 26 N 2.79 3.32 -0.56 3.18 2.02 0.23 -4.88 117.35 123.45 1j7m s TYR 26 Ca 0.47 -1.53 0.23 0.00 -0.37 0.00 0.00 57.07 55.87 1j7m s TYR 26 Cb -0.17 -2.66 0.16 0.00 -0.40 0.00 0.00 41.96 38.89 1j7m s TYR 26 CO 0.11 -0.80 1.14 0.39 -1.57 0.00 0.00 175.55 174.83 1j7m n GLU 27 N 4.85 0.34 -3.99 -0.62 1.02 -1.26 -0.14 120.64 120.83 1j7m n GLU 27 Ca -0.10 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 1j7m n GLU 27 Cb 0.44 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.13 1.45 -4.67 1.62 3.41 -1.26 -4.82 113.62 107.22 1j7m n SER 28 Ca 0.02 -2.78 -0.30 0.00 -0.26 0.00 0.00 58.87 55.55 1j7m n SER 28 Cb 0.46 0.77 0.16 0.00 -0.26 0.00 0.00 64.21 65.34 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 -2.78 0.00 -0.06 0.00 -1.32 0.95 -4.93 115.64 107.50 1j7m s THR 30 Ca 0.65 -1.90 0.08 0.00 -1.21 0.00 0.00 61.69 59.31 1j7m s THR 30 Cb -0.20 -2.51 0.12 0.00 -1.51 0.00 0.00 72.50 68.41 1j7m s THR 30 CO 0.59 0.00 1.01 -1.54 -2.21 0.00 0.00 174.62 172.47 1j7m n SER 31 N -1.04 1.29 -4.74 8.08 3.41 -1.26 0.64 113.62 120.00 1j7m n SER 31 Ca 0.04 -2.36 -0.34 0.00 -0.26 0.00 0.00 58.87 55.95 1j7m n SER 31 Cb 0.63 -0.25 0.07 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.37 2.29 0.00 7.33 0.00 -1.26 -3.19 121.76 125.56 1j7m s ALA 32 Ca 0.14 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1j7m s ALA 32 Cb 0.12 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1j7m s ALA 32 CO 0.01 -1.57 0.00 0.41 0.00 0.00 0.00 175.76 174.61 1j7m n GLY 33 N 0.12 0.63 2.52 0.00 0.00 -1.26 -4.98 105.19 102.22 1j7m n GLY 33 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1j7m n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m n ARG 34 N -2.00 1.00 0.00 1.61 1.74 -1.19 -5.07 116.66 112.75 1j7m n ARG 34 Ca 0.00 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 1j7m n ARG 34 Cb 0.00 0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1j7m n ARG 34 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1j7m n SER 35 N -1.73 1.19 0.00 0.55 3.41 -1.26 -5.03 113.62 110.75 1j7m n SER 35 Ca -0.04 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1j7m n SER 35 Cb 0.42 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j7m n ASP 36 N -0.60 0.00 -2.01 4.04 5.75 -1.26 -5.09 116.55 117.38 1j7m n ASP 36 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1j7m n ASP 36 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1j7m n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j7m n GLY 37 N 4.18 0.34 3.34 6.12 0.00 -1.26 -5.06 105.19 112.85 1j7m n GLY 37 Ca 0.00 -0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1j7m n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m s LYS 38 N 0.06 3.90 0.30 1.61 1.02 -1.26 -5.03 119.74 120.33 1j7m s LYS 38 Ca 0.04 -2.80 -0.29 0.00 0.02 0.00 0.00 55.97 52.93 1j7m s LYS 38 Cb 0.20 -4.52 -0.12 0.00 -0.52 0.00 0.00 37.83 32.86 1j7m s LYS 38 CO -0.06 -1.29 1.41 -1.33 -0.92 0.00 0.00 175.35 173.16 1j7m n MET 39 N 3.49 2.26 -1.04 1.68 2.81 -1.26 -4.86 117.12 120.20 1j7m n MET 39 Ca 0.19 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 1j7m n MET 39 Cb 0.43 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.48 1j7m n MET 39 CO 0.00 0.00 0.00 -2.67 1.51 0.00 0.00 175.97 174.81 1j7m n TRP 40 N 1.18 0.00 -3.58 2.03 4.27 0.21 -0.65 117.44 120.89 1j7m n TRP 40 Ca 0.07 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.54 1j7m n TRP 40 Cb 0.35 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.24 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 -0.44 2.76 -2.23 0.00 0.00 -1.26 -2.02 121.76 118.57 1j7m s ALA 42 Ca -0.03 0.76 0.22 0.00 0.00 0.00 0.00 51.96 52.91 1j7m s ALA 42 Cb -0.02 -3.33 0.53 0.00 0.00 0.00 0.00 23.12 20.30 1j7m s ALA 42 CO 0.03 -0.62 1.46 0.25 0.00 0.00 0.00 175.76 176.88 1j7m n THR 43 N -1.15 0.67 -4.25 0.00 -2.24 -0.36 -0.43 114.28 106.52 1j7m n THR 43 Ca 0.11 -0.78 -0.18 0.00 -2.27 0.00 0.00 64.05 60.93 1j7m n THR 43 Cb 0.51 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.33 1.35 0.43 4.28 -4.23 -1.26 -4.43 115.64 110.44 1j7m s THR 44 Ca 0.41 -1.80 0.10 0.00 -1.18 0.00 0.00 61.69 59.22 1j7m s THR 44 Cb 0.23 -1.61 0.23 0.00 1.34 0.00 0.00 72.50 72.68 1j7m s THR 44 CO 0.31 -0.47 2.03 0.00 -0.54 0.00 0.00 174.62 175.95 1j7m h ALA 45 N 3.35 1.71 -3.51 3.99 0.00 -1.88 -3.38 119.26 119.54 1j7m h ALA 45 Ca -0.39 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 53.85 1j7m h ALA 45 Cb 1.20 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 18.51 1j7m h ALA 45 CO 0.53 0.23 -0.79 1.21 0.00 0.00 0.00 179.25 180.44 1j7m s ASN 46 N -6.85 3.49 0.10 0.00 3.84 -1.26 -3.25 114.94 111.00 1j7m s ASN 46 Ca -0.06 -1.01 -0.04 0.00 0.21 0.00 0.00 52.86 51.96 1j7m s ASN 46 Cb 0.17 -1.05 -0.21 0.00 -0.55 0.00 0.00 41.25 39.61 1j7m s ASN 46 CO 0.72 -0.23 1.21 0.22 -2.79 0.00 0.00 177.10 176.22 1j7m h TYR 47 N 8.03 0.54 -0.61 0.43 3.20 -1.65 -3.21 116.97 123.70 1j7m h TYR 47 Ca -0.20 -0.35 0.18 0.00 3.14 0.00 0.00 58.73 61.50 1j7m h TYR 47 Cb 1.09 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1j7m h TYR 47 CO 0.46 1.23 0.45 -0.44 -1.64 0.00 0.00 178.16 178.21 1j7m h ASP 48 N 0.13 0.00 0.00 -2.11 3.32 -1.87 0.40 116.42 116.29 1j7m h ASP 48 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1j7m h ASP 48 Cb 1.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1j7m h ASP 48 CO 0.19 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.18 1j7m n ASP 49 N -4.31 0.00 0.13 6.45 8.00 -1.23 -4.60 116.55 120.99 1j7m n ASP 49 Ca 0.12 0.33 -0.01 0.00 0.71 0.00 0.00 54.79 55.94 1j7m n ASP 49 Cb 0.69 -0.44 0.16 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.00 0.00 -6.30 -2.24 5.19 -1.58 -3.48 116.42 108.02 1j7m h ASP 50 Ca 0.00 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.95 1j7m h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1j7m h ASP 50 CO 0.00 0.63 -0.83 0.54 -3.12 0.00 0.00 179.24 176.45 1j7m n ARG 51 N -3.75 -4.42 -3.95 3.56 1.74 0.14 -4.97 116.66 105.01 1j7m n ARG 51 Ca -0.01 0.53 -0.35 0.00 -0.77 0.00 0.00 57.85 57.26 1j7m n ARG 51 Cb 0.63 -5.03 -0.14 0.00 -1.02 0.00 0.00 32.46 26.90 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 -6.34 3.13 0.41 5.56 1.02 -1.26 -5.01 119.74 117.24 1j7m s LYS 52 Ca 0.18 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.42 1j7m s LYS 52 Cb -0.09 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 1j7m s LYS 52 CO 0.85 -0.28 0.12 1.67 -0.92 0.00 0.00 175.35 176.79 1j7m s TRP 53 N 1.40 1.80 -0.19 3.18 1.48 -1.26 -1.22 118.94 124.13 1j7m s TRP 53 Ca 0.04 -1.24 -0.30 0.00 -1.06 0.00 0.00 56.10 53.54 1j7m s TRP 53 Cb -0.15 -1.19 0.15 0.00 -1.16 0.00 0.00 33.47 31.12 1j7m s TRP 53 CO -0.05 -0.25 1.10 0.20 -4.06 0.00 0.00 176.95 173.89 1j7m s GLY 54 N -3.61 -0.17 0.88 3.67 0.00 -0.86 -2.23 107.32 105.00 1j7m s GLY 54 Ca 0.24 2.23 -0.11 0.00 0.00 0.00 0.00 44.72 47.08 1j7m s GLY 54 CO 0.14 1.03 1.15 -1.36 0.00 0.00 0.00 173.10 174.07 1j7m s PHE 55 N -1.13 1.75 0.41 1.90 0.08 -1.23 0.27 117.98 120.01 1j7m s PHE 55 Ca 0.01 1.75 -0.25 0.00 0.12 0.00 0.00 56.93 58.56 1j7m s PHE 55 Cb -0.01 -3.34 -0.08 0.00 -0.57 0.00 0.00 43.02 39.02 1j7m s PHE 55 CO -0.01 -2.71 1.21 0.00 -0.10 0.00 0.00 175.22 173.61 1j7m n PRO 57 N 0.06 2.60 -1.77 0.00 -0.04 -1.26 -4.55 135.00 130.03 1j7m n PRO 57 Ca 0.04 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.10 1j7m n PRO 57 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1j7m n PRO 57 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1j7m s ASP 58 N -1.57 5.20 0.68 3.54 2.15 -1.26 -4.96 116.67 120.45 1j7m s ASP 58 Ca 0.00 1.18 -0.11 0.00 0.43 0.00 0.00 52.55 54.05 1j7m s ASP 58 Cb 0.00 -2.51 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1j7m s ASP 58 CO 0.00 -2.27 1.07 -1.10 -0.17 0.00 0.00 175.17 172.70 1j7m s GLN 59 N 6.92 3.10 0.00 4.34 -0.21 -1.26 -5.06 119.66 127.50 1j7m s GLN 59 Ca 0.88 0.60 0.00 0.00 0.02 0.00 0.00 55.36 56.85 1j7m s GLN 59 Cb -0.21 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1j7m s GLN 59 CO 0.29 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.98