#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 -2.26 0.66 2.14 -1.26 -4.93 117.44 111.79 1j7m n TRP 2 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1j7m n TRP 2 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1j7m n TRP 2 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1j7m n MET 3 N 0.00 3.89 -1.27 -2.67 2.81 -1.26 -4.99 117.12 113.63 1j7m n MET 3 Ca 0.00 -3.53 -0.30 0.00 -1.81 0.00 0.00 57.70 52.06 1j7m n MET 3 Cb 0.00 -2.84 0.11 0.00 -0.71 0.00 0.00 33.22 29.78 1j7m n MET 3 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1j7m s SER 4 N 0.65 4.13 0.48 7.83 0.01 -1.26 -4.03 113.70 121.51 1j7m s SER 4 Ca 0.43 1.64 0.07 0.00 1.31 0.00 0.00 55.95 59.40 1j7m s SER 4 Cb 0.12 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 64.01 1j7m s SER 4 CO -0.02 -2.24 0.40 0.42 0.41 0.00 0.00 173.24 172.21 1j7m s THR 5 N -2.94 2.20 0.00 1.44 -4.23 -0.29 -4.58 115.64 107.24 1j7m s THR 5 Ca 0.62 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1j7m s THR 5 Cb -0.17 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1j7m s THR 5 CO 0.56 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 175.16 1j7m n VAL 6 N -1.66 0.00 0.00 2.29 0.31 -1.03 -4.47 118.33 113.77 1j7m n VAL 6 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1j7m n VAL 6 Cb 0.63 -0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 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 1.85 5.30 2.92 0.00 -1.26 0.12 105.19 119.12 1j7m n GLY 7 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.88 0.00 -0.02 0.00 -1.26 -4.58 105.19 100.21 1j7m n GLY 8 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.72 0.00 -0.04 1.61 2.04 -0.62 -4.92 115.26 111.60 1j7m n ASN 9 Ca 0.00 -0.97 -0.03 0.00 -0.44 0.00 0.00 54.58 53.14 1j7m n ASN 9 Cb 0.00 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.24 1j7m n ASN 9 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1j7m n SER 10 N 0.00 1.13 0.00 0.53 7.64 -1.14 -4.97 113.62 116.80 1j7m n SER 10 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1j7m n SER 10 Cb 0.24 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1j7m n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j7m n GLY 11 N 1.64 2.15 0.05 0.23 0.00 -1.26 -4.14 105.19 103.85 1j7m n GLY 11 Ca -0.05 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.31 3.84 -0.02 0.00 -1.26 -1.13 105.19 105.30 1j7m n GLY 12 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.09 3.69 0.63 4.61 0.00 -1.26 -4.79 121.76 121.56 1j7m s ALA 13 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1j7m s ALA 13 Cb 0.12 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.88 1j7m s ALA 13 CO 0.42 0.49 0.93 -1.25 0.00 0.00 0.00 175.76 176.34 1j7m s PRO 14 N -1.25 2.55 0.24 0.00 0.04 -1.26 -3.43 135.00 131.90 1j7m s PRO 14 Ca 0.26 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.77 1j7m s PRO 14 Cb -0.16 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 1j7m s PRO 14 CO 0.15 -0.93 0.95 0.00 0.04 0.00 0.00 177.00 177.21 1j7m s VAL 16 N -1.13 4.10 0.01 0.00 1.01 0.22 -4.93 120.40 119.68 1j7m s VAL 16 Ca 0.41 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1j7m s VAL 16 Cb -0.26 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1j7m s VAL 16 CO 0.32 -0.07 -0.14 -0.36 0.00 0.00 0.00 175.10 174.86 1j7m s PHE 17 N 1.49 2.70 0.08 5.22 0.08 -1.26 -3.01 117.98 123.28 1j7m s PHE 17 Ca 0.01 -0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.66 1j7m s PHE 17 Cb -0.18 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.66 1j7m s PHE 17 CO 0.04 0.28 0.72 -1.25 -0.10 0.00 0.00 175.22 174.90 1j7m s PRO 18 N -1.28 4.45 0.49 0.24 0.05 -1.26 -5.07 135.00 132.63 1j7m s PRO 18 Ca 0.15 1.00 0.07 0.00 0.05 0.00 0.00 61.00 62.27 1j7m s PRO 18 Cb -0.11 -3.31 0.07 0.00 0.05 0.00 0.00 34.50 31.21 1j7m s PRO 18 CO 0.05 0.44 0.60 1.97 0.05 0.00 0.00 177.00 180.11 1j7m n PHE 19 N 2.23 -1.91 -4.00 0.56 -1.74 0.67 -4.82 117.46 108.44 1j7m n PHE 19 Ca -0.05 -1.88 -0.21 0.00 -0.56 0.00 0.00 57.45 54.75 1j7m n PHE 19 Cb 0.50 -0.45 -0.17 0.00 1.52 0.00 0.00 39.48 40.88 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 -2.18 0.45 0.00 1.97 2.01 -1.17 0.37 115.64 117.09 1j7m s THR 20 Ca 0.45 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.46 1j7m s THR 20 Cb -0.04 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1j7m s THR 20 CO 0.29 0.23 -0.08 0.12 -0.69 0.00 0.00 174.62 174.49 1j7m s PHE 21 N 1.30 0.70 -1.58 4.92 5.36 -0.45 -1.55 117.98 126.67 1j7m s PHE 21 Ca -0.05 -0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 1j7m s PHE 21 Cb -0.13 -0.44 0.19 0.00 -0.34 0.00 0.00 43.02 42.30 1j7m s PHE 21 CO -0.02 -0.02 0.53 1.28 -1.46 0.00 0.00 175.22 175.53 1j7m n LEU 22 N 2.66 -0.81 0.00 6.12 7.99 -1.26 0.44 117.00 132.14 1j7m n LEU 22 Ca -0.15 -0.95 0.00 0.00 -0.01 0.00 0.00 56.01 54.90 1j7m n LEU 22 Cb 0.57 -1.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.31 1j7m n LEU 22 CO 0.24 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 1j7m n GLY 23 N -1.01 1.14 3.74 -0.72 0.00 -1.26 -5.04 105.19 102.04 1j7m n GLY 23 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 5.20 -0.19 1.61 0.01 0.17 -5.10 114.94 113.54 1j7m s ASN 24 Ca 0.00 -0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 51.75 1j7m s ASN 24 Cb 0.00 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.36 1j7m s ASN 24 CO 0.00 0.08 0.37 -0.54 -1.51 0.00 0.00 177.10 175.50 1j7m s LYS 25 N -3.05 4.19 -0.29 -0.60 1.02 -1.26 -1.34 119.74 118.41 1j7m s LYS 25 Ca 0.30 0.17 -0.03 0.00 0.02 0.00 0.00 55.97 56.43 1j7m s LYS 25 Cb -0.10 -3.51 0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1j7m s LYS 25 CO 0.21 0.03 -0.00 0.71 -0.92 0.00 0.00 175.35 175.38 1j7m s TYR 26 N 1.11 3.19 -1.30 3.18 1.51 0.16 -4.92 117.35 120.29 1j7m s TYR 26 Ca 0.18 -1.66 0.23 0.00 -1.01 0.00 0.00 57.07 54.81 1j7m s TYR 26 Cb -0.14 -2.12 0.14 0.00 -0.11 0.00 0.00 41.96 39.73 1j7m s TYR 26 CO 0.07 -0.76 1.16 0.39 -1.11 0.00 0.00 175.55 175.31 1j7m n GLU 27 N 4.67 0.35 -2.65 -0.62 1.02 -1.26 -0.24 120.64 121.91 1j7m n GLU 27 Ca -0.14 -0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 56.68 1j7m n GLU 27 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.10 0.25 -4.67 1.62 3.41 -1.26 -4.85 113.62 107.01 1j7m n SER 28 Ca 0.07 -1.62 -0.29 0.00 -0.26 0.00 0.00 58.87 56.77 1j7m n SER 28 Cb 0.36 0.41 0.17 0.00 -0.26 0.00 0.00 64.21 64.89 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 -2.93 0.05 -0.03 0.00 -1.32 0.43 -4.96 115.64 106.88 1j7m s THR 30 Ca 0.65 -1.67 0.05 0.00 -1.21 0.00 0.00 61.69 59.51 1j7m s THR 30 Cb -0.19 -2.10 0.07 0.00 -1.51 0.00 0.00 72.50 68.77 1j7m s THR 30 CO 0.58 -0.22 1.03 -1.54 -2.21 0.00 0.00 174.62 172.25 1j7m n SER 31 N -0.22 2.04 -4.70 8.08 3.41 -1.26 0.76 113.62 121.72 1j7m n SER 31 Ca -0.04 -2.26 -0.43 0.00 -0.26 0.00 0.00 58.87 55.88 1j7m n SER 31 Cb 0.64 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 1j7m n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m n ALA 32 N -0.73 1.46 0.00 7.33 0.00 -1.26 0.05 120.51 127.35 1j7m n ALA 32 Ca 0.04 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1j7m n ALA 32 Cb 0.36 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1j7m n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7m n GLY 33 N 1.64 2.61 0.46 0.00 0.00 -1.26 -4.73 105.19 103.91 1j7m n GLY 33 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.99 0.00 -2.20 1.61 1.74 -0.21 -5.00 116.66 110.62 1j7m n ARG 34 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1j7m n ARG 34 Cb 0.00 -0.18 -0.02 0.00 -1.02 0.00 0.00 32.46 31.23 1j7m n ARG 34 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1j7m n SER 35 N -2.28 -5.04 -0.06 0.55 7.64 0.11 -4.85 113.62 109.69 1j7m n SER 35 Ca 0.00 0.15 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 1j7m n SER 35 Cb 0.00 -4.29 -0.02 0.00 -1.01 0.00 0.00 64.21 58.89 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 -1.71 1.27 0.00 6.43 5.75 -1.26 -5.06 116.55 121.97 1j7m n ASP 36 Ca -0.20 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1j7m n ASP 36 Cb 0.64 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 1.50 -0.25 3.59 6.12 0.00 -1.26 -5.10 105.19 109.79 1j7m n GLY 37 Ca -0.09 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.91 3.42 0.39 1.61 3.01 -1.26 -4.99 119.74 120.01 1j7m s LYS 38 Ca 0.00 0.96 -0.22 0.00 -1.01 0.00 0.00 55.97 55.70 1j7m s LYS 38 Cb 0.00 -4.10 -0.10 0.00 -1.01 0.00 0.00 37.83 32.61 1j7m s LYS 38 CO 0.00 -1.76 0.93 -1.64 0.51 0.00 0.00 175.35 173.38 1j7m s MET 39 N 5.32 4.31 0.00 1.68 -1.94 -1.26 -4.87 119.30 122.53 1j7m s MET 39 Ca 0.65 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.76 1j7m s MET 39 Cb -0.15 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1j7m s MET 39 CO 0.31 0.08 0.00 -2.67 -0.01 0.00 0.00 175.02 172.73 1j7m n TRP 40 N -0.27 0.00 -3.56 -0.03 4.27 0.23 0.27 117.44 118.35 1j7m n TRP 40 Ca 0.05 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.49 1j7m n TRP 40 Cb 0.53 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.41 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 -0.71 3.27 -1.35 0.00 0.00 -1.26 -0.89 121.76 120.82 1j7m s ALA 42 Ca -0.08 0.48 0.17 0.00 0.00 0.00 0.00 51.96 52.53 1j7m s ALA 42 Cb -0.02 -3.12 0.62 0.00 0.00 0.00 0.00 23.12 20.60 1j7m s ALA 42 CO 0.07 0.21 1.51 0.25 0.00 0.00 0.00 175.76 177.80 1j7m n THR 43 N 0.76 1.47 -4.19 0.00 -2.24 0.42 -0.61 114.28 109.90 1j7m n THR 43 Ca 0.00 -1.00 -0.12 0.00 -2.27 0.00 0.00 64.05 60.66 1j7m n THR 43 Cb 0.50 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.69 0.87 0.40 4.28 -4.23 -1.25 -4.47 115.64 109.54 1j7m s THR 44 Ca 0.45 -1.88 0.22 0.00 -1.18 0.00 0.00 61.69 59.29 1j7m s THR 44 Cb 0.28 -1.63 0.24 0.00 1.34 0.00 0.00 72.50 72.72 1j7m s THR 44 CO 0.23 -0.76 2.00 0.00 -0.54 0.00 0.00 174.62 175.55 1j7m h ALA 45 N 3.08 1.36 -3.25 3.99 0.00 -1.89 -3.40 119.26 119.15 1j7m h ALA 45 Ca -0.36 -0.16 -0.49 0.00 0.00 0.00 0.00 54.91 53.90 1j7m h ALA 45 Cb 1.18 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.56 1j7m h ALA 45 CO 0.61 0.22 -0.78 1.21 0.00 0.00 0.00 179.25 180.51 1j7m s ASN 46 N -6.44 2.18 -0.02 0.00 3.84 -1.26 -3.07 114.94 110.17 1j7m s ASN 46 Ca -0.03 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.68 1j7m s ASN 46 Cb 0.14 -0.65 -0.26 0.00 -0.55 0.00 0.00 41.25 39.93 1j7m s ASN 46 CO 0.63 -0.19 0.77 0.22 -2.79 0.00 0.00 177.10 175.74 1j7m h TYR 47 N 8.24 0.33 -0.88 0.43 3.20 -1.49 -3.11 116.97 123.69 1j7m h TYR 47 Ca -0.22 -0.24 0.14 0.00 3.14 0.00 0.00 58.73 61.54 1j7m h TYR 47 Cb 1.12 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.31 1j7m h TYR 47 CO 0.44 1.34 0.57 -0.44 -1.64 0.00 0.00 178.16 178.42 1j7m h ASP 48 N 0.05 0.65 0.00 -2.11 3.32 -1.85 0.23 116.42 116.72 1j7m h ASP 48 Ca -0.26 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1j7m h ASP 48 Cb 2.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.46 1j7m h ASP 48 CO 0.13 0.34 -0.16 0.44 -1.72 0.00 0.00 179.24 178.27 1j7m h ASP 49 N 0.69 0.00 1.01 6.45 5.19 -1.88 -3.41 116.42 124.48 1j7m h ASP 49 Ca 0.44 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1j7m h ASP 49 Cb 0.68 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.19 1j7m h ASP 49 CO -0.19 0.26 -0.02 0.44 -3.12 0.00 0.00 179.24 176.61 1j7m h ASP 50 N -0.36 0.00 -6.95 6.45 5.19 -1.62 -3.47 116.42 115.66 1j7m h ASP 50 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1j7m h ASP 50 Cb 0.16 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.51 1j7m h ASP 50 CO 0.00 0.02 -0.91 0.54 -3.12 0.00 0.00 179.24 175.77 1j7m n ARG 51 N -3.12 -0.81 -3.95 3.56 1.74 0.81 -4.94 116.66 109.95 1j7m n ARG 51 Ca 0.01 0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.81 1j7m n ARG 51 Cb 0.32 -3.10 -0.14 0.00 -1.02 0.00 0.00 32.46 28.51 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 -7.12 3.23 0.30 5.56 1.02 -1.26 -5.04 119.74 116.43 1j7m s LYS 52 Ca 0.09 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.39 1j7m s LYS 52 Cb -0.05 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 1j7m s LYS 52 CO 0.92 -0.23 0.10 1.67 -0.92 0.00 0.00 175.35 176.89 1j7m s TRP 53 N 1.43 1.70 -0.22 3.18 1.48 -1.26 -0.43 118.94 124.81 1j7m s TRP 53 Ca 0.05 -1.16 -0.27 0.00 -1.06 0.00 0.00 56.10 53.66 1j7m s TRP 53 Cb -0.14 -1.04 0.11 0.00 -1.16 0.00 0.00 33.47 31.24 1j7m s TRP 53 CO -0.05 -0.26 0.93 0.20 -4.06 0.00 0.00 176.95 173.71 1j7m s GLY 54 N -3.41 -0.29 0.68 3.67 0.00 -0.07 -1.59 107.32 106.31 1j7m s GLY 54 Ca 0.35 2.24 -0.17 0.00 0.00 0.00 0.00 44.72 47.15 1j7m s GLY 54 CO 0.15 1.50 1.27 -1.36 0.00 0.00 0.00 173.10 174.66 1j7m s PHE 55 N -0.28 2.02 0.15 1.90 0.08 0.32 0.94 117.98 123.12 1j7m s PHE 55 Ca -0.00 1.53 -0.31 0.00 0.12 0.00 0.00 56.93 58.26 1j7m s PHE 55 Cb -0.03 -3.64 -0.10 0.00 -0.57 0.00 0.00 43.02 38.68 1j7m s PHE 55 CO -0.01 -2.88 1.67 0.00 -0.10 0.00 0.00 175.22 173.90 1j7m n PRO 57 N 4.52 0.58 -3.52 0.00 -0.04 -1.26 -4.46 135.00 130.82 1j7m n PRO 57 Ca 0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1j7m n PRO 57 Cb 0.38 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.70 -0.51 -0.33 3.54 2.15 -1.26 -5.07 116.67 113.49 1j7m s ASP 58 Ca 0.14 0.95 -0.12 0.00 0.43 0.00 0.00 52.55 53.94 1j7m s ASP 58 Cb 0.06 1.63 -0.02 0.00 -0.30 0.00 0.00 42.92 44.29 1j7m s ASP 58 CO 0.11 -0.25 0.22 -1.10 -0.17 0.00 0.00 175.17 173.98 1j7m s GLN 59 N 2.70 3.57 0.00 4.34 -0.21 -1.26 -5.07 119.66 123.74 1j7m s GLN 59 Ca 0.04 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1j7m s GLN 59 Cb -0.13 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1j7m s GLN 59 CO -0.16 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.03