#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 0.00 -1.98 7.33 8.01 -1.26 -4.73 117.44 124.82 1j7m n TRP 2 Ca 0.00 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.90 1j7m n TRP 2 Cb 0.00 0.00 0.16 0.00 -2.01 0.00 0.00 31.31 29.46 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1j7m s MET 3 N 0.00 0.99 0.25 -0.99 0.23 -1.26 -5.08 119.30 113.43 1j7m s MET 3 Ca 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.31 1j7m s MET 3 Cb 0.00 -1.90 0.05 0.00 -1.53 0.00 0.00 34.83 31.44 1j7m s MET 3 CO 0.00 -2.17 0.34 0.43 -2.03 0.00 0.00 175.02 171.58 1j7m n SER 4 N -3.60 0.50 -4.25 -1.18 7.64 -1.26 -4.74 113.62 106.72 1j7m n SER 4 Ca 0.14 -1.41 -0.26 0.00 1.01 0.00 0.00 58.87 58.35 1j7m n SER 4 Cb 0.60 -0.21 0.16 0.00 -1.01 0.00 0.00 64.21 63.74 1j7m n SER 4 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j7m n THR 5 N -1.84 0.00 -4.06 0.44 -2.24 -1.11 -4.80 114.28 100.67 1j7m n THR 5 Ca 0.06 -1.30 -0.03 0.00 -2.27 0.00 0.00 64.05 60.51 1j7m n THR 5 Cb 0.20 -1.18 -0.01 0.00 -2.10 0.00 0.00 70.33 67.25 1j7m n THR 5 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1j7m n VAL 6 N -3.31 0.00 0.00 2.28 0.31 -1.16 -4.81 118.33 111.64 1j7m n VAL 6 Ca 0.17 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1j7m n VAL 6 Cb 0.58 0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 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 2.69 1.85 2.06 2.92 0.00 -1.26 0.11 105.19 113.55 1j7m n GLY 7 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.51 2.68 -0.02 0.00 -1.26 -4.60 105.19 102.50 1j7m n GLY 8 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.25 -1.55 -0.10 1.61 2.04 -0.34 -4.91 115.26 111.76 1j7m n ASN 9 Ca 0.00 -2.26 -0.15 0.00 -0.44 0.00 0.00 54.58 51.72 1j7m n ASN 9 Cb 0.00 0.75 -0.09 0.00 -2.53 0.00 0.00 39.78 37.91 1j7m n ASN 9 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1j7m n SER 10 N -1.39 2.27 0.00 0.53 3.41 -1.22 -4.86 113.62 112.37 1j7m n SER 10 Ca -0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1j7m n SER 10 Cb 0.87 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1j7m n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j7m n GLY 11 N 2.39 2.35 1.03 5.00 0.00 -1.26 -3.96 105.19 110.74 1j7m n GLY 11 Ca -0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 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 5.15 3.64 -0.02 0.00 -1.26 -4.25 105.19 108.45 1j7m n GLY 12 Ca 0.00 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.15 3.17 0.65 4.61 0.00 -1.25 -4.90 121.76 120.88 1j7m s ALA 13 Ca 0.41 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1j7m s ALA 13 Cb 0.38 -1.24 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1j7m s ALA 13 CO -0.05 0.63 0.96 -1.25 0.00 0.00 0.00 175.76 176.05 1j7m s PRO 14 N -1.53 2.50 -0.02 0.00 0.04 -1.26 -2.76 135.00 131.97 1j7m s PRO 14 Ca 0.19 -0.19 -0.22 0.00 0.04 0.00 0.00 61.00 60.82 1j7m s PRO 14 Cb -0.11 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1j7m s PRO 14 CO 0.09 -1.00 0.64 0.00 0.04 0.00 0.00 177.00 176.78 1j7m s VAL 16 N 0.15 5.24 -0.02 0.00 1.01 0.19 -4.81 120.40 122.15 1j7m s VAL 16 Ca 0.34 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.98 1j7m s VAL 16 Cb -0.18 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1j7m s VAL 16 CO 0.18 0.29 -0.22 -0.36 0.00 0.00 0.00 175.10 174.98 1j7m s PHE 17 N 1.15 2.04 -0.01 5.22 0.08 -1.26 -2.72 117.98 122.49 1j7m s PHE 17 Ca 0.17 -0.43 -0.23 0.00 0.12 0.00 0.00 56.93 56.55 1j7m s PHE 17 Cb -0.14 -1.32 -0.05 0.00 -0.57 0.00 0.00 43.02 40.93 1j7m s PHE 17 CO 0.07 -0.07 0.69 -1.25 -0.10 0.00 0.00 175.22 174.56 1j7m s PRO 18 N -0.43 4.42 -0.19 0.24 0.05 -1.26 -5.06 135.00 132.77 1j7m s PRO 18 Ca 0.06 0.90 -0.10 0.00 0.05 0.00 0.00 61.00 61.91 1j7m s PRO 18 Cb -0.10 -3.38 -0.05 0.00 0.05 0.00 0.00 34.50 31.02 1j7m s PRO 18 CO -0.00 0.24 0.14 -0.59 0.05 0.00 0.00 177.00 176.84 1j7m s PHE 19 N 0.16 3.42 -0.18 0.56 -0.71 0.44 -4.70 117.98 116.98 1j7m s PHE 19 Ca 0.36 0.35 -0.19 0.00 -1.04 0.00 0.00 56.93 56.41 1j7m s PHE 19 Cb -0.19 -2.16 -0.03 0.00 -1.21 0.00 0.00 43.02 39.43 1j7m s PHE 19 CO 0.20 0.30 0.53 0.99 -1.34 0.00 0.00 175.22 175.90 1j7m s THR 20 N 0.31 5.11 0.00 -4.49 2.01 -0.83 0.66 115.64 118.42 1j7m s THR 20 Ca 0.09 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.13 1j7m s THR 20 Cb -0.11 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1j7m s THR 20 CO -0.01 0.20 -0.14 0.12 -0.69 0.00 0.00 174.62 174.10 1j7m s PHE 21 N 1.45 1.22 -1.33 4.92 5.36 0.68 -1.89 117.98 128.39 1j7m s PHE 21 Ca 0.25 -0.26 -0.16 0.00 -0.96 0.00 0.00 56.93 55.81 1j7m s PHE 21 Cb -0.15 -0.77 0.15 0.00 -0.34 0.00 0.00 43.02 41.91 1j7m s PHE 21 CO 0.10 -0.00 0.46 1.28 -1.46 0.00 0.00 175.22 175.60 1j7m n LEU 22 N 2.51 -0.83 0.00 6.12 7.99 -1.26 0.49 117.00 132.03 1j7m n LEU 22 Ca -0.15 -0.68 0.00 0.00 -0.01 0.00 0.00 56.01 55.17 1j7m n LEU 22 Cb 0.55 -1.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 1j7m n LEU 22 CO 0.24 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 1j7m n GLY 23 N -0.98 1.38 3.49 -0.72 0.00 -1.26 -5.04 105.19 102.06 1j7m n GLY 23 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.10 4.32 -0.18 1.61 0.01 0.18 -5.09 114.94 112.70 1j7m s ASN 24 Ca 0.00 -0.16 -0.29 0.00 -0.71 0.00 0.00 52.86 51.70 1j7m s ASN 24 Cb 0.00 -1.24 -0.00 0.00 0.41 0.00 0.00 41.25 40.42 1j7m s ASN 24 CO 0.00 0.29 1.01 -0.54 -1.51 0.00 0.00 177.10 176.35 1j7m s LYS 25 N -0.38 4.33 -0.36 -0.60 1.02 -1.26 -0.23 119.74 122.26 1j7m s LYS 25 Ca 0.05 1.35 -0.10 0.00 0.02 0.00 0.00 55.97 57.28 1j7m s LYS 25 Cb -0.12 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1j7m s LYS 25 CO 0.02 -0.49 0.19 0.71 -0.92 0.00 0.00 175.35 174.86 1j7m s TYR 26 N 2.66 3.23 -0.28 3.18 2.02 0.21 -4.90 117.35 123.47 1j7m s TYR 26 Ca 0.45 -0.94 0.23 0.00 -0.37 0.00 0.00 57.07 56.44 1j7m s TYR 26 Cb -0.16 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.03 1j7m s TYR 26 CO 0.11 -0.62 1.10 0.93 -1.57 0.00 0.00 175.55 175.50 1j7m h GLU 27 N 8.40 0.00 0.00 -0.62 5.08 -1.92 0.13 114.58 125.65 1j7m h GLU 27 Ca -0.27 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.52 1j7m h GLU 27 Cb 1.11 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.24 1j7m h GLU 27 CO 0.65 0.00 -0.46 -1.13 -1.00 0.00 0.00 179.01 177.07 1j7m n SER 28 N -2.65 1.89 -4.75 1.42 3.41 -1.26 -4.86 113.62 106.82 1j7m n SER 28 Ca 0.00 -3.14 -0.33 0.00 -0.26 0.00 0.00 58.87 55.15 1j7m n SER 28 Cb 0.54 0.81 0.08 0.00 -0.26 0.00 0.00 64.21 65.38 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 -2.43 0.73 -0.07 0.00 -1.32 0.31 -4.91 115.64 107.95 1j7m s THR 30 Ca 0.67 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.25 1j7m s THR 30 Cb -0.22 -2.58 0.15 0.00 -1.51 0.00 0.00 72.50 68.35 1j7m s THR 30 CO 0.48 0.00 1.05 -1.54 -2.21 0.00 0.00 174.62 172.39 1j7m n SER 31 N -0.88 1.44 -4.74 8.08 3.41 -1.26 0.71 113.62 120.38 1j7m n SER 31 Ca -0.02 -2.51 -0.36 0.00 -0.26 0.00 0.00 58.87 55.72 1j7m n SER 31 Cb 0.66 -0.29 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.62 2.37 0.00 7.33 0.00 -1.26 -2.92 121.76 125.67 1j7m s ALA 32 Ca 0.17 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1j7m s ALA 32 Cb 0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1j7m s ALA 32 CO 0.02 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1j7m n GLY 33 N 0.52 1.03 1.36 0.00 0.00 -1.26 -4.98 105.19 101.86 1j7m n GLY 33 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 1.42 0.00 1.61 1.74 -1.15 -5.08 116.66 113.19 1j7m n ARG 34 Ca 0.00 -1.33 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 1j7m n ARG 34 Cb 0.00 0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.72 1j7m n ARG 34 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1j7m n SER 35 N -1.42 2.34 0.00 0.55 2.88 -1.26 -5.02 113.62 111.68 1j7m n SER 35 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1j7m n SER 35 Cb 0.23 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j7m n ASP 36 N -1.13 0.00 -0.48 -3.46 5.75 -1.26 -5.06 116.55 110.91 1j7m n ASP 36 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1j7m n ASP 36 Cb 0.20 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 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 3.25 0.10 3.53 6.12 0.00 -1.26 -5.06 105.19 111.88 1j7m n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.78 0.32 1.61 1.02 -1.26 -4.97 119.74 120.24 1j7m s LYS 38 Ca 0.00 -1.72 -0.29 0.00 0.02 0.00 0.00 55.97 53.98 1j7m s LYS 38 Cb 0.00 -5.27 -0.12 0.00 -0.52 0.00 0.00 37.83 31.93 1j7m s LYS 38 CO 0.00 -2.06 1.54 -1.33 -0.92 0.00 0.00 175.35 172.58 1j7m n MET 39 N 7.74 2.64 -1.88 1.68 2.81 -1.26 -4.83 117.12 124.03 1j7m n MET 39 Ca 0.36 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 57.18 1j7m n MET 39 Cb 0.48 -2.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.30 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 1.45 0.00 -3.63 2.03 4.27 0.22 -0.02 117.44 121.75 1j7m n TRP 40 Ca 0.06 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.54 1j7m n TRP 40 Cb 0.37 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.25 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 0.61 2.47 -1.17 0.00 0.00 -1.26 -1.96 121.76 120.44 1j7m s ALA 42 Ca -0.02 0.54 0.18 0.00 0.00 0.00 0.00 51.96 52.66 1j7m s ALA 42 Cb -0.05 -3.31 0.63 0.00 0.00 0.00 0.00 23.12 20.39 1j7m s ALA 42 CO -0.03 -1.28 1.54 0.25 0.00 0.00 0.00 175.76 176.25 1j7m n THR 43 N -2.43 1.61 -4.15 0.00 -2.24 -0.41 -0.64 114.28 106.02 1j7m n THR 43 Ca 0.10 -1.19 -0.14 0.00 -2.27 0.00 0.00 64.05 60.54 1j7m n THR 43 Cb 0.52 0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.65 0.85 0.32 4.28 -4.23 -1.26 -4.54 115.64 109.42 1j7m s THR 44 Ca 0.46 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1j7m s THR 44 Cb 0.29 -1.15 0.26 0.00 1.34 0.00 0.00 72.50 73.24 1j7m s THR 44 CO 0.24 -0.48 1.99 0.00 -0.54 0.00 0.00 174.62 175.82 1j7m h ALA 45 N 3.86 1.48 -3.71 3.99 0.00 -1.88 -3.37 119.26 119.64 1j7m h ALA 45 Ca -0.37 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 1j7m h ALA 45 Cb 1.19 -0.29 -0.38 0.00 0.00 0.00 0.00 17.79 18.31 1j7m h ALA 45 CO 0.49 0.48 -0.79 1.21 0.00 0.00 0.00 179.25 180.63 1j7m s ASN 46 N -6.37 4.05 0.15 0.00 3.84 -1.26 -1.96 114.94 113.39 1j7m s ASN 46 Ca -0.11 -1.24 0.01 0.00 0.21 0.00 0.00 52.86 51.74 1j7m s ASN 46 Cb 0.18 -1.34 -0.06 0.00 -0.55 0.00 0.00 41.25 39.48 1j7m s ASN 46 CO 0.78 -0.21 1.34 0.22 -2.79 0.00 0.00 177.10 176.44 1j7m h TYR 47 N 7.88 0.33 -0.41 0.43 3.20 -1.55 -3.06 116.97 123.80 1j7m h TYR 47 Ca -0.19 -0.19 0.07 0.00 3.14 0.00 0.00 58.73 61.56 1j7m h TYR 47 Cb 1.06 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1j7m h TYR 47 CO 0.56 1.03 0.28 -0.44 -1.64 0.00 0.00 178.16 177.94 1j7m h ASP 48 N 0.11 0.20 0.00 -2.11 3.32 -1.93 0.29 116.42 116.30 1j7m h ASP 48 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1j7m h ASP 48 Cb 1.58 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1j7m h ASP 48 CO 0.14 0.13 -0.35 0.44 -1.72 0.00 0.00 179.24 177.88 1j7m h ASP 49 N 0.23 0.00 0.89 6.45 3.32 -1.89 -3.41 116.42 122.01 1j7m h ASP 49 Ca 0.18 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 1j7m h ASP 49 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1j7m h ASP 49 CO -0.03 0.57 -0.52 0.44 -1.72 0.00 0.00 179.24 177.98 1j7m h ASP 50 N -0.79 0.00 -6.48 6.45 5.19 -1.58 -3.48 116.42 115.72 1j7m h ASP 50 Ca 0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 1j7m h ASP 50 Cb 0.35 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 1j7m h ASP 50 CO 0.00 0.52 -0.88 0.54 -3.12 0.00 0.00 179.24 176.30 1j7m n ARG 51 N -3.54 -3.42 -4.09 3.56 5.12 0.10 -4.97 116.66 109.41 1j7m n ARG 51 Ca -0.00 0.42 -0.32 0.00 -1.93 0.00 0.00 57.85 56.01 1j7m n ARG 51 Cb 0.61 -4.61 -0.16 0.00 -1.16 0.00 0.00 32.46 27.14 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1j7m s LYS 52 N -6.54 2.72 0.41 5.56 1.02 -1.26 -5.07 119.74 116.58 1j7m s LYS 52 Ca 0.06 -0.92 0.04 0.00 0.02 0.00 0.00 55.97 55.16 1j7m s LYS 52 Cb -0.03 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1j7m s LYS 52 CO 0.89 -0.30 0.12 1.67 -0.92 0.00 0.00 175.35 176.80 1j7m s TRP 53 N 1.27 1.80 -0.18 3.18 1.48 -1.26 -1.28 118.94 123.94 1j7m s TRP 53 Ca 0.02 -1.24 -0.29 0.00 -1.06 0.00 0.00 56.10 53.52 1j7m s TRP 53 Cb -0.15 -1.20 0.12 0.00 -1.16 0.00 0.00 33.47 31.08 1j7m s TRP 53 CO -0.11 -0.24 0.97 0.20 -4.06 0.00 0.00 176.95 173.70 1j7m s GLY 54 N -3.62 -0.28 0.82 3.67 0.00 -0.83 -1.20 107.32 105.88 1j7m s GLY 54 Ca 0.23 2.12 -0.12 0.00 0.00 0.00 0.00 44.72 46.95 1j7m s GLY 54 CO 0.14 1.25 1.16 -1.36 0.00 0.00 0.00 173.10 174.29 1j7m s PHE 55 N -0.74 1.94 0.18 1.90 0.08 0.30 0.48 117.98 122.12 1j7m s PHE 55 Ca -0.01 1.68 -0.30 0.00 0.12 0.00 0.00 56.93 58.42 1j7m s PHE 55 Cb -0.02 -3.35 -0.08 0.00 -0.57 0.00 0.00 43.02 39.00 1j7m s PHE 55 CO 0.01 -2.58 1.15 0.00 -0.10 0.00 0.00 175.22 173.70 1j7m n PRO 57 N 2.45 0.81 -3.32 0.00 -0.04 -1.26 -4.31 135.00 129.33 1j7m n PRO 57 Ca 0.04 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1j7m n PRO 57 Cb 0.45 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.50 0.62 -0.70 3.54 -1.08 -1.26 -5.04 116.67 111.25 1j7m s ASP 58 Ca 0.15 -0.71 0.03 0.00 -0.52 0.00 0.00 52.55 51.50 1j7m s ASP 58 Cb 0.07 0.96 0.35 0.00 -1.46 0.00 0.00 42.92 42.84 1j7m s ASP 58 CO 0.11 -0.33 1.27 0.00 0.52 0.00 0.00 175.17 176.75 1j7m n GLN 59 N 5.07 3.82 0.00 4.34 6.02 -1.26 -5.06 117.38 130.31 1j7m n GLN 59 Ca 0.03 -4.68 0.00 0.00 -0.01 0.00 0.00 57.00 52.34 1j7m n GLN 59 Cb 0.49 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46