#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m h TRP 2 N 0.00 0.43 -1.80 7.33 7.01 -2.03 -3.40 115.95 123.49 1j7m h TRP 2 Ca 0.00 -0.31 -0.71 0.00 2.11 0.00 0.00 58.89 59.98 1j7m h TRP 2 Cb 0.00 -0.02 -0.15 0.00 -2.10 0.00 0.00 29.16 26.90 1j7m h TRP 2 CO 0.00 1.39 1.51 0.00 -2.79 0.00 0.00 178.44 178.55 1j7m s MET 3 N -2.43 3.96 0.65 2.65 0.23 -1.26 -4.99 119.30 118.12 1j7m s MET 3 Ca -0.17 -2.22 -0.03 0.00 -1.03 0.00 0.00 55.69 52.24 1j7m s MET 3 Cb 0.02 -5.18 0.07 0.00 -1.53 0.00 0.00 34.83 28.20 1j7m s MET 3 CO 0.78 -1.92 0.92 -1.12 -2.03 0.00 0.00 175.02 171.65 1j7m s SER 4 N 3.44 4.85 0.87 -1.18 0.01 -1.26 -4.68 113.70 115.75 1j7m s SER 4 Ca 0.44 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.70 1j7m s SER 4 Cb -0.01 -0.77 0.17 0.00 0.21 0.00 0.00 66.02 65.61 1j7m s SER 4 CO 0.00 -1.51 1.20 0.42 0.41 0.00 0.00 173.24 173.76 1j7m s THR 5 N -3.05 2.05 0.00 1.44 -4.23 -1.08 -4.38 115.64 106.39 1j7m s THR 5 Ca 0.61 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1j7m s THR 5 Cb -0.09 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1j7m s THR 5 CO 0.42 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 175.02 1j7m n VAL 6 N -3.41 0.00 0.00 2.29 0.31 -0.49 -4.54 118.33 112.49 1j7m n VAL 6 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1j7m n VAL 6 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.98 0.32 2.52 2.92 0.00 -1.26 0.13 105.19 110.79 1j7m n GLY 7 Ca 0.00 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.66 0.00 -0.02 0.00 -1.26 -4.82 105.19 95.43 1j7m n GLY 8 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 2.94 0.00 0.24 1.61 2.04 -1.06 -3.13 115.26 117.90 1j7m n ASN 9 Ca -0.02 0.22 0.16 0.00 -0.44 0.00 0.00 54.58 54.50 1j7m n ASN 9 Cb 0.50 -0.39 0.61 0.00 -2.53 0.00 0.00 39.78 37.97 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 0.00 0.00 0.00 0.53 0.02 -1.78 -3.48 113.55 108.84 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 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1j7m h SER 10 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1j7m n GLY 11 N 0.14 1.61 2.51 -3.77 0.00 -1.18 -3.53 105.19 100.96 1j7m n GLY 11 Ca 0.01 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 5.91 3.88 -0.02 0.00 -1.26 -3.88 105.19 109.83 1j7m n GLY 12 Ca 0.00 -2.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.10 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 -3.76 3.71 0.32 4.61 0.00 -1.23 -4.62 121.76 120.80 1j7m s ALA 13 Ca 0.52 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.79 1j7m s ALA 13 Cb 0.43 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 1j7m s ALA 13 CO -0.19 0.60 1.00 -2.14 0.00 0.00 0.00 175.76 175.03 1j7m s PRO 14 N -2.48 4.53 -0.19 0.00 0.02 -1.26 -2.65 135.00 132.98 1j7m s PRO 14 Ca 0.40 1.49 -0.29 0.00 0.02 0.00 0.00 61.00 62.63 1j7m s PRO 14 Cb -0.12 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 1j7m s PRO 14 CO 0.22 0.20 1.44 0.00 -0.33 0.00 0.00 177.00 178.52 1j7m s VAL 16 N 4.26 4.32 -0.09 0.00 1.01 -0.47 -4.97 120.40 124.45 1j7m s VAL 16 Ca 0.63 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1j7m s VAL 16 Cb -0.24 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.57 1j7m s VAL 16 CO 0.23 -1.00 -0.01 -0.36 0.00 0.00 0.00 175.10 173.97 1j7m s PHE 17 N 4.14 3.12 0.04 5.22 0.08 -1.26 -2.06 117.98 127.27 1j7m s PHE 17 Ca 0.40 0.12 -0.26 0.00 0.12 0.00 0.00 56.93 57.31 1j7m s PHE 17 Cb -0.09 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1j7m s PHE 17 CO 0.27 0.39 0.79 -1.25 -0.10 0.00 0.00 175.22 175.32 1j7m s PRO 18 N -0.69 4.52 -0.13 0.24 0.05 -1.26 -5.07 135.00 132.65 1j7m s PRO 18 Ca 0.11 1.11 -0.06 0.00 0.05 0.00 0.00 61.00 62.22 1j7m s PRO 18 Cb -0.12 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 31.02 1j7m s PRO 18 CO 0.02 0.25 0.07 -0.59 0.05 0.00 0.00 177.00 176.80 1j7m s PHE 19 N 0.05 3.34 -0.27 0.56 -0.12 0.53 -4.76 117.98 117.31 1j7m s PHE 19 Ca 0.40 0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 57.43 1j7m s PHE 19 Cb -0.21 -1.94 -0.05 0.00 -0.63 0.00 0.00 43.02 40.19 1j7m s PHE 19 CO 0.24 0.45 0.22 0.99 -0.05 0.00 0.00 175.22 177.07 1j7m s THR 20 N -0.49 5.29 -0.13 -4.49 2.01 -1.00 0.13 115.64 116.97 1j7m s THR 20 Ca 0.10 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.35 1j7m s THR 20 Cb -0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 1j7m s THR 20 CO 0.02 0.26 -0.09 0.12 -0.69 0.00 0.00 174.62 174.23 1j7m s PHE 21 N 1.64 2.89 -1.23 4.92 5.36 0.16 -1.18 117.98 130.53 1j7m s PHE 21 Ca 0.09 -0.45 -0.09 0.00 -0.96 0.00 0.00 56.93 55.52 1j7m s PHE 21 Cb -0.15 -1.86 0.09 0.00 -0.34 0.00 0.00 43.02 40.76 1j7m s PHE 21 CO 0.09 -0.09 0.23 1.28 -1.46 0.00 0.00 175.22 175.28 1j7m n LEU 22 N 3.36 -0.63 0.00 6.12 7.99 -1.26 -0.10 117.00 132.48 1j7m n LEU 22 Ca -0.18 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 54.92 1j7m n LEU 22 Cb 0.53 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1j7m n LEU 22 CO 0.31 0.19 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1j7m n GLY 23 N -1.47 3.04 3.66 -0.72 0.00 -1.26 -5.09 105.19 103.35 1j7m n GLY 23 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.24 4.93 -0.16 1.61 0.01 0.86 -5.09 114.94 115.86 1j7m s ASN 24 Ca 0.00 -0.11 -0.21 0.00 -0.71 0.00 0.00 52.86 51.83 1j7m s ASN 24 Cb 0.00 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.43 1j7m s ASN 24 CO 0.00 0.24 0.62 -0.54 -1.51 0.00 0.00 177.10 175.91 1j7m s LYS 25 N -1.78 4.28 -0.25 -0.60 1.02 -1.26 0.36 119.74 121.50 1j7m s LYS 25 Ca 0.21 0.64 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1j7m s LYS 25 Cb -0.11 -3.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 1j7m s LYS 25 CO 0.12 -0.11 -0.03 0.71 -0.92 0.00 0.00 175.35 175.12 1j7m s TYR 26 N 1.48 3.05 -0.18 3.18 1.51 0.36 -4.92 117.35 121.83 1j7m s TYR 26 Ca 0.30 -1.27 0.20 0.00 -1.01 0.00 0.00 57.07 55.30 1j7m s TYR 26 Cb -0.16 -2.11 -0.07 0.00 -0.11 0.00 0.00 41.96 39.50 1j7m s TYR 26 CO 0.12 -0.65 0.92 0.39 -1.11 0.00 0.00 175.55 175.22 1j7m n GLU 27 N 4.75 0.62 -3.80 -0.62 1.02 -1.26 -0.35 120.64 121.00 1j7m n GLU 27 Ca -0.16 0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 56.90 1j7m n GLU 27 Cb 0.48 -1.80 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 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 -2.73 2.41 -4.56 1.62 3.41 -1.26 -4.86 113.62 107.65 1j7m n SER 28 Ca -0.04 -2.53 -0.28 0.00 -0.26 0.00 0.00 58.87 55.75 1j7m n SER 28 Cb 0.66 0.39 0.23 0.00 -0.26 0.00 0.00 64.21 65.23 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 -2.65 0.00 -0.01 0.00 -1.32 -0.25 -4.98 115.64 106.43 1j7m s THR 30 Ca 0.67 -1.62 0.14 0.00 -1.21 0.00 0.00 61.69 59.68 1j7m s THR 30 Cb -0.23 -2.55 0.24 0.00 -1.51 0.00 0.00 72.50 68.46 1j7m s THR 30 CO 0.62 0.00 1.10 -1.54 -2.21 0.00 0.00 174.62 172.59 1j7m n SER 31 N -1.14 0.61 -4.77 8.08 3.41 -1.26 0.69 113.62 119.24 1j7m n SER 31 Ca 0.01 -2.07 -0.41 0.00 -0.26 0.00 0.00 58.87 56.14 1j7m n SER 31 Cb 0.62 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.13 3.55 0.00 7.33 0.00 -1.26 -2.48 121.76 128.77 1j7m s ALA 32 Ca 0.19 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1j7m s ALA 32 Cb 0.22 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1j7m s ALA 32 CO -0.09 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.24 1j7m n GLY 33 N 0.82 1.72 3.90 0.00 0.00 -1.26 -4.99 105.19 105.38 1j7m n GLY 33 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.08 3.61 0.00 1.61 0.52 -1.04 -4.99 118.95 118.58 1j7m s ARG 34 Ca 0.00 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1j7m s ARG 34 Cb 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1j7m s ARG 34 CO 0.00 0.48 0.63 -1.13 0.02 0.00 0.00 175.30 175.30 1j7m n SER 35 N 0.14 1.25 0.00 0.23 3.41 -1.26 -4.86 113.62 112.54 1j7m n SER 35 Ca -0.03 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1j7m n SER 35 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.15 0.00 0.00 4.04 5.68 -1.26 -5.06 116.55 119.80 1j7m n ASP 36 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1j7m n ASP 36 Cb 0.09 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 2.34 0.00 3.77 6.12 0.00 -1.26 -5.14 105.19 111.01 1j7m n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 4.32 -0.01 1.61 -0.14 -1.26 -5.01 119.74 119.25 1j7m s LYS 38 Ca 0.00 2.15 -0.06 0.00 -1.36 0.00 0.00 55.97 56.70 1j7m s LYS 38 Cb 0.00 -3.02 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 1j7m s LYS 38 CO 0.00 -0.20 0.25 -1.64 -0.76 0.00 0.00 175.35 173.00 1j7m s MET 39 N -1.85 3.56 0.00 1.68 -1.94 -1.26 -4.67 119.30 114.83 1j7m s MET 39 Ca 0.50 -0.09 0.00 0.00 -1.71 0.00 0.00 55.69 54.39 1j7m s MET 39 Cb -0.38 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.36 1j7m s MET 39 CO 0.51 0.67 0.00 -2.67 -0.01 0.00 0.00 175.02 173.51 1j7m n TRP 40 N 1.23 0.00 -3.54 -0.03 4.27 0.22 -1.12 117.44 118.47 1j7m n TRP 40 Ca -0.12 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.31 1j7m n TRP 40 Cb 0.53 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.42 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 -1.03 3.28 -0.69 0.00 0.00 -1.26 -1.59 121.76 120.47 1j7m s ALA 42 Ca -0.10 0.41 0.16 0.00 0.00 0.00 0.00 51.96 52.44 1j7m s ALA 42 Cb -0.01 -3.07 0.73 0.00 0.00 0.00 0.00 23.12 20.78 1j7m s ALA 42 CO 0.09 0.23 1.65 0.25 0.00 0.00 0.00 175.76 177.97 1j7m n THR 43 N 0.67 2.22 -4.09 0.00 -2.24 -0.36 -1.37 114.28 109.12 1j7m n THR 43 Ca 0.00 -1.34 -0.12 0.00 -2.27 0.00 0.00 64.05 60.32 1j7m n THR 43 Cb 0.50 -0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.27 0.56 0.27 4.28 -4.23 -1.26 -4.53 115.64 108.45 1j7m s THR 44 Ca 0.51 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1j7m s THR 44 Cb 0.36 -0.89 0.26 0.00 1.34 0.00 0.00 72.50 73.57 1j7m s THR 44 CO 0.20 -0.52 1.94 0.00 -0.54 0.00 0.00 174.62 175.69 1j7m h ALA 45 N 4.08 1.34 -3.76 3.99 0.00 -1.88 -3.37 119.26 119.65 1j7m h ALA 45 Ca -0.36 -0.06 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 1j7m h ALA 45 Cb 1.19 -0.37 -0.38 0.00 0.00 0.00 0.00 17.79 18.23 1j7m h ALA 45 CO 0.47 0.60 -0.79 1.21 0.00 0.00 0.00 179.25 180.74 1j7m s ASN 46 N -6.14 4.19 0.14 0.00 3.84 -1.26 -2.36 114.94 113.35 1j7m s ASN 46 Ca -0.12 -1.31 -0.03 0.00 0.21 0.00 0.00 52.86 51.60 1j7m s ASN 46 Cb 0.18 -1.39 -0.06 0.00 -0.55 0.00 0.00 41.25 39.44 1j7m s ASN 46 CO 0.81 -0.21 1.33 0.22 -2.79 0.00 0.00 177.10 176.46 1j7m h TYR 47 N 7.85 0.54 -1.03 0.43 5.03 -1.32 -3.19 116.97 125.29 1j7m h TYR 47 Ca -0.18 -0.29 0.26 0.00 2.58 0.00 0.00 58.73 61.10 1j7m h TYR 47 Cb 1.05 -0.06 -0.11 0.00 1.55 0.00 0.00 36.73 39.16 1j7m h TYR 47 CO 0.58 1.10 0.64 -0.44 -1.32 0.00 0.00 178.16 178.71 1j7m h ASP 48 N 0.21 0.55 0.00 -2.11 5.19 -1.93 0.51 116.42 118.84 1j7m h ASP 48 Ca -0.07 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1j7m h ASP 48 Cb 1.53 0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.05 1j7m h ASP 48 CO 0.15 0.10 -0.22 0.44 -3.12 0.00 0.00 179.24 176.60 1j7m h ASP 49 N 0.48 0.00 1.38 6.45 3.32 -1.92 -3.41 116.42 122.72 1j7m h ASP 49 Ca 0.61 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.58 1j7m h ASP 49 Cb 1.38 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1j7m h ASP 49 CO -0.37 0.43 -0.39 0.44 -1.72 0.00 0.00 179.24 177.64 1j7m h ASP 50 N -0.65 0.00 -6.78 6.45 5.19 -1.55 -3.48 116.42 115.60 1j7m h ASP 50 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1j7m h ASP 50 Cb 0.22 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.60 1j7m h ASP 50 CO 0.00 0.39 -0.93 0.54 -3.12 0.00 0.00 179.24 176.12 1j7m n ARG 51 N -3.27 -2.06 -3.82 3.56 1.74 0.18 -4.94 116.66 108.04 1j7m n ARG 51 Ca 0.02 0.25 -0.36 0.00 -0.77 0.00 0.00 57.85 56.99 1j7m n ARG 51 Cb 0.64 -4.02 -0.13 0.00 -1.02 0.00 0.00 32.46 27.93 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 -6.96 3.46 0.32 5.56 1.02 -1.26 -5.04 119.74 116.84 1j7m s LYS 52 Ca 0.02 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1j7m s LYS 52 Cb -0.01 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1j7m s LYS 52 CO 0.94 -0.23 0.10 1.67 -0.92 0.00 0.00 175.35 176.92 1j7m s TRP 53 N 1.54 1.73 -0.22 3.18 1.48 -1.26 -1.23 118.94 124.16 1j7m s TRP 53 Ca 0.06 -1.17 -0.28 0.00 -1.06 0.00 0.00 56.10 53.64 1j7m s TRP 53 Cb -0.15 -1.06 0.14 0.00 -1.16 0.00 0.00 33.47 31.24 1j7m s TRP 53 CO 0.00 -0.26 1.10 0.20 -4.06 0.00 0.00 176.95 173.93 1j7m s GLY 54 N -3.44 -0.13 0.85 3.67 0.00 -0.62 -2.24 107.32 105.41 1j7m s GLY 54 Ca 0.34 2.47 -0.11 0.00 0.00 0.00 0.00 44.72 47.42 1j7m s GLY 54 CO 0.15 1.37 1.15 -1.36 0.00 0.00 0.00 173.10 174.41 1j7m s PHE 55 N -0.59 1.86 0.30 1.90 0.08 0.35 0.34 117.98 122.22 1j7m s PHE 55 Ca 0.02 1.72 -0.11 0.00 0.12 0.00 0.00 56.93 58.67 1j7m s PHE 55 Cb -0.02 -3.33 -0.08 0.00 -0.57 0.00 0.00 43.02 39.02 1j7m s PHE 55 CO -0.04 -2.62 0.66 0.00 -0.10 0.00 0.00 175.22 173.13 1j7m n PRO 57 N -0.50 0.57 -3.29 0.00 -0.04 -1.26 -4.54 135.00 125.94 1j7m n PRO 57 Ca 0.02 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.03 1j7m n PRO 57 Cb 0.53 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.68 6.18 -0.36 3.54 2.15 -1.26 -4.92 116.67 120.31 1j7m s ASP 58 Ca 0.12 -1.34 0.05 0.00 0.43 0.00 0.00 52.55 51.81 1j7m s ASP 58 Cb 0.05 -2.23 0.46 0.00 -0.30 0.00 0.00 42.92 40.91 1j7m s ASP 58 CO 0.09 -0.80 1.36 0.00 -0.17 0.00 0.00 175.17 175.65 1j7m n GLN 59 N 5.56 3.38 0.00 4.34 1.13 -1.26 -4.87 117.38 125.65 1j7m n GLN 59 Ca -0.11 -3.97 0.00 0.00 -1.94 0.00 0.00 57.00 50.98 1j7m n GLN 59 Cb 0.43 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.52 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03