#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 0.00 -3.03 1.43 7.01 -2.01 -3.42 115.95 115.93 1j7m h TRP 2 Ca 0.00 0.00 -0.73 0.00 2.11 0.00 0.00 58.89 60.27 1j7m h TRP 2 Cb 0.00 0.00 -0.21 0.00 -2.10 0.00 0.00 29.16 26.85 1j7m h TRP 2 CO 0.00 0.00 0.48 0.00 -2.79 0.00 0.00 178.44 176.13 1j7m s MET 3 N -1.08 3.56 0.11 2.65 0.23 -1.26 -4.98 119.30 118.52 1j7m s MET 3 Ca -0.00 -2.01 0.00 0.00 -1.03 0.00 0.00 55.69 52.65 1j7m s MET 3 Cb 0.00 -4.66 -0.00 0.00 -1.53 0.00 0.00 34.83 28.64 1j7m s MET 3 CO 0.01 -1.56 0.01 0.43 -2.03 0.00 0.00 175.02 171.88 1j7m n SER 4 N 5.48 1.80 -4.51 -1.18 7.64 -1.26 -3.17 113.62 118.42 1j7m n SER 4 Ca 0.17 -1.53 -0.25 0.00 1.01 0.00 0.00 58.87 58.26 1j7m n SER 4 Cb 0.48 0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.63 1.42 0.25 0.44 -4.23 0.52 -4.73 115.64 107.68 1j7m s THR 5 Ca 0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1j7m s THR 5 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 1j7m s THR 5 CO 0.01 0.00 -0.09 0.54 -0.54 0.00 0.00 174.62 174.55 1j7m s VAL 6 N -3.04 1.64 0.00 2.29 0.11 -1.23 -4.61 120.40 115.57 1j7m s VAL 6 Ca 0.32 -2.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.21 1j7m s VAL 6 Cb 0.08 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 1j7m s VAL 6 CO 0.15 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 1j7m n GLY 7 N -0.49 1.42 6.82 6.54 0.00 -1.26 0.23 105.19 118.44 1j7m n GLY 7 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.43 0.00 -0.02 0.00 -1.26 -4.61 105.19 100.74 1j7m n GLY 8 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.39 0.00 0.30 1.61 6.94 -0.74 -4.94 115.26 117.05 1j7m n ASN 9 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 54.58 54.41 1j7m n ASN 9 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1j7m h SER 10 N 0.00 -0.98 0.00 0.53 0.02 -1.82 -3.47 113.55 107.83 1j7m h SER 10 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1j7m h SER 10 Cb 0.00 0.30 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1j7m h SER 10 CO 0.00 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 175.74 1j7m n GLY 11 N -1.47 1.37 0.04 -3.77 0.00 -1.26 -4.31 105.19 95.79 1j7m n GLY 11 Ca -0.11 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.22 3.79 -0.02 0.00 -1.26 -0.35 105.19 106.13 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 -3.08 3.31 0.48 4.61 0.00 -1.26 -4.48 121.76 121.33 1j7m s ALA 13 Ca 0.08 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1j7m s ALA 13 Cb 0.12 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1j7m s ALA 13 CO 0.37 0.24 0.75 -1.25 0.00 0.00 0.00 175.76 175.88 1j7m s PRO 14 N -1.91 3.31 0.09 0.00 0.04 -1.19 -3.12 135.00 132.23 1j7m s PRO 14 Ca 0.46 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 1j7m s PRO 14 Cb -0.19 -2.43 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 1j7m s PRO 14 CO 0.23 -0.27 0.96 0.00 0.04 0.00 0.00 177.00 177.97 1j7m s VAL 16 N 0.15 4.56 0.03 0.00 1.01 0.20 -4.93 120.40 121.42 1j7m s VAL 16 Ca 0.48 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1j7m s VAL 16 Cb -0.23 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1j7m s VAL 16 CO 0.30 0.00 -0.00 -0.36 0.00 0.00 0.00 175.10 175.04 1j7m s PHE 17 N 1.59 3.04 -0.01 5.22 0.40 -1.26 -2.86 117.98 124.11 1j7m s PHE 17 Ca 0.04 0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.15 1j7m s PHE 17 Cb -0.18 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1j7m s PHE 17 CO 0.06 0.46 0.80 -1.25 0.70 0.00 0.00 175.22 175.99 1j7m s PRO 18 N -1.81 4.49 -0.22 0.24 0.05 -1.26 -5.04 135.00 131.45 1j7m s PRO 18 Ca 0.22 1.09 -0.10 0.00 0.05 0.00 0.00 61.00 62.26 1j7m s PRO 18 Cb -0.12 -3.42 -0.05 0.00 0.05 0.00 0.00 34.50 30.97 1j7m s PRO 18 CO 0.13 0.11 0.13 -0.59 0.05 0.00 0.00 177.00 176.83 1j7m s PHE 19 N 0.54 3.30 -0.18 0.56 -0.71 0.34 -4.71 117.98 117.14 1j7m s PHE 19 Ca 0.42 0.17 -0.20 0.00 -1.04 0.00 0.00 56.93 56.27 1j7m s PHE 19 Cb -0.20 -2.21 -0.03 0.00 -1.21 0.00 0.00 43.02 39.38 1j7m s PHE 19 CO 0.22 0.10 0.59 0.99 -1.34 0.00 0.00 175.22 175.78 1j7m s THR 20 N 0.82 5.06 0.00 -4.49 2.01 -0.96 0.56 115.64 118.63 1j7m s THR 20 Ca 0.07 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.26 1j7m s THR 20 Cb -0.13 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1j7m s THR 20 CO 0.02 0.16 -0.21 0.12 -0.69 0.00 0.00 174.62 174.02 1j7m s PHE 21 N 1.63 1.86 -0.47 4.92 5.36 0.62 -2.16 117.98 129.74 1j7m s PHE 21 Ca 0.28 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.84 1j7m s PHE 21 Cb -0.16 -1.17 0.05 0.00 -0.34 0.00 0.00 43.02 41.41 1j7m s PHE 21 CO 0.11 0.01 0.14 1.28 -1.46 0.00 0.00 175.22 175.30 1j7m n LEU 22 N 2.34 -0.26 0.00 6.12 7.99 -1.26 0.76 117.00 132.70 1j7m n LEU 22 Ca -0.16 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1j7m n LEU 22 Cb 0.53 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.64 1j7m n LEU 22 CO 0.23 0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 1j7m n GLY 23 N -0.65 1.02 3.67 -0.72 0.00 -1.26 -5.06 105.19 102.19 1j7m n GLY 23 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.30 5.42 -0.20 1.61 0.01 0.23 -5.07 114.94 114.63 1j7m s ASN 24 Ca 0.00 0.13 -0.29 0.00 -0.71 0.00 0.00 52.86 51.99 1j7m s ASN 24 Cb 0.00 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.95 1j7m s ASN 24 CO 0.00 0.30 1.09 -0.54 -1.51 0.00 0.00 177.10 176.45 1j7m s LYS 25 N -0.42 4.27 -0.38 -0.60 1.02 -1.26 -0.28 119.74 122.09 1j7m s LYS 25 Ca 0.09 1.44 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 1j7m s LYS 25 Cb -0.12 -3.66 0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1j7m s LYS 25 CO 0.02 -0.62 0.23 0.71 -0.92 0.00 0.00 175.35 174.76 1j7m s TYR 26 N 3.17 3.24 -0.34 3.18 2.02 0.19 -4.89 117.35 123.93 1j7m s TYR 26 Ca 0.47 -0.83 0.23 0.00 -0.37 0.00 0.00 57.07 56.57 1j7m s TYR 26 Cb -0.17 -2.47 0.09 0.00 -0.40 0.00 0.00 41.96 39.01 1j7m s TYR 26 CO 0.09 -0.61 1.14 0.93 -1.57 0.00 0.00 175.55 175.53 1j7m h GLU 27 N 8.48 0.00 -5.08 -0.62 5.08 -1.92 1.00 114.58 121.52 1j7m h GLU 27 Ca -0.26 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.52 1j7m h GLU 27 Cb 1.11 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.23 1j7m h GLU 27 CO 0.68 0.00 -0.52 -1.54 -1.00 0.00 0.00 179.01 176.63 1j7m s SER 28 N -5.18 2.99 0.89 1.42 1.04 -1.26 -4.88 113.70 108.71 1j7m s SER 28 Ca 0.01 -1.66 -0.11 0.00 0.48 0.00 0.00 55.95 54.68 1j7m s SER 28 Cb 0.10 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.83 1j7m s SER 28 CO 0.77 -0.91 1.11 0.00 0.98 0.00 0.00 173.24 175.19 1j7m s THR 30 N -2.75 0.31 -0.07 0.00 -1.32 0.71 -4.91 115.64 107.61 1j7m s THR 30 Ca 0.65 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.23 1j7m s THR 30 Cb -0.21 -2.55 0.15 0.00 -1.51 0.00 0.00 72.50 68.38 1j7m s THR 30 CO 0.58 0.00 1.04 -1.54 -2.21 0.00 0.00 174.62 172.49 1j7m n SER 31 N -0.61 1.74 -4.76 8.08 3.41 -1.26 0.12 113.62 120.34 1j7m n SER 31 Ca 0.01 -2.50 -0.39 0.00 -0.26 0.00 0.00 58.87 55.74 1j7m n SER 31 Cb 0.66 -0.26 0.03 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 -1.77 2.94 0.00 7.33 0.00 -1.26 -2.47 121.76 126.53 1j7m s ALA 32 Ca 0.17 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1j7m s ALA 32 Cb 0.15 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j7m s ALA 32 CO 0.02 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.94 1j7m n GLY 33 N 0.67 2.88 0.00 0.00 0.00 -1.26 -4.98 105.19 102.50 1j7m n GLY 33 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.70 0.00 1.61 1.74 -1.03 -5.08 116.66 113.60 1j7m n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j7m n ARG 34 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 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 -1.95 0.00 0.00 0.55 3.41 -1.26 -5.06 113.62 109.30 1j7m n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1j7m n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.23 0.00 0.00 4.04 5.68 -1.26 -5.06 116.55 119.72 1j7m n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1j7m n ASP 36 Cb 0.00 0.00 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 2.97 0.51 3.77 6.12 0.00 -1.26 -5.12 105.19 112.19 1j7m n GLY 37 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.10 0.09 1.61 3.01 -1.26 -5.04 119.74 121.24 1j7m s LYS 38 Ca 0.00 1.50 0.10 0.00 -1.01 0.00 0.00 55.97 56.56 1j7m s LYS 38 Cb 0.00 -1.98 -0.03 0.00 -1.01 0.00 0.00 37.83 34.81 1j7m s LYS 38 CO 0.00 -1.03 -0.26 -1.64 0.51 0.00 0.00 175.35 172.93 1j7m s MET 39 N -3.67 1.64 0.00 1.68 -1.94 -1.26 -4.58 119.30 111.17 1j7m s MET 39 Ca 0.70 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1j7m s MET 39 Cb -0.22 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1j7m s MET 39 CO 0.34 0.49 0.00 -2.67 -0.01 0.00 0.00 175.02 173.16 1j7m n TRP 40 N 1.33 0.00 -3.63 -0.03 4.27 0.32 0.16 117.44 119.86 1j7m n TRP 40 Ca -0.17 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.31 1j7m n TRP 40 Cb 0.52 0.00 -0.07 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 0.29 2.77 -1.27 0.00 0.00 -1.26 -1.98 121.76 120.31 1j7m s ALA 42 Ca 0.01 0.85 0.14 0.00 0.00 0.00 0.00 51.96 52.95 1j7m s ALA 42 Cb -0.05 -3.36 0.56 0.00 0.00 0.00 0.00 23.12 20.26 1j7m s ALA 42 CO -0.01 -0.73 1.43 0.25 0.00 0.00 0.00 175.76 176.71 1j7m n THR 43 N -1.09 1.37 -4.14 0.00 -2.24 -0.57 -0.63 114.28 106.99 1j7m n THR 43 Ca 0.10 -0.89 -0.09 0.00 -2.27 0.00 0.00 64.05 60.90 1j7m n THR 43 Cb 0.50 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.75 0.47 0.38 4.28 -4.23 -1.26 -4.37 115.64 109.15 1j7m s THR 44 Ca 0.39 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1j7m s THR 44 Cb 0.25 -1.69 0.18 0.00 1.34 0.00 0.00 72.50 72.58 1j7m s THR 44 CO 0.19 -0.86 1.94 0.00 -0.54 0.00 0.00 174.62 175.36 1j7m h ALA 45 N 3.00 1.53 -3.33 3.99 0.00 -1.87 -3.40 119.26 119.19 1j7m h ALA 45 Ca -0.35 -0.17 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1j7m h ALA 45 Cb 1.16 -0.11 -0.37 0.00 0.00 0.00 0.00 17.79 18.47 1j7m h ALA 45 CO 0.65 0.34 -0.80 1.21 0.00 0.00 0.00 179.25 180.65 1j7m s ASN 46 N -6.82 2.97 0.08 0.00 3.84 -1.26 -2.28 114.94 111.47 1j7m s ASN 46 Ca -0.06 -0.70 0.04 0.00 0.21 0.00 0.00 52.86 52.35 1j7m s ASN 46 Cb 0.16 -1.04 -0.23 0.00 -0.55 0.00 0.00 41.25 39.58 1j7m s ASN 46 CO 0.74 -0.15 1.15 0.22 -2.79 0.00 0.00 177.10 176.26 1j7m h TYR 47 N 8.07 0.15 -0.61 0.43 3.20 -1.64 -3.10 116.97 123.48 1j7m h TYR 47 Ca -0.27 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.57 1j7m h TYR 47 Cb 1.11 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 1j7m h TYR 47 CO 0.47 1.10 0.41 -0.44 -1.64 0.00 0.00 178.16 178.05 1j7m h ASP 48 N 0.02 0.44 0.00 -2.11 3.32 -1.94 0.29 116.42 116.44 1j7m h ASP 48 Ca -0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1j7m h ASP 48 Cb 1.86 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1j7m h ASP 48 CO 0.14 0.27 -0.36 0.44 -1.72 0.00 0.00 179.24 178.02 1j7m h ASP 49 N 0.49 0.00 0.64 6.45 5.19 -1.90 -3.40 116.42 123.89 1j7m h ASP 49 Ca 0.27 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.64 1j7m h ASP 49 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1j7m h ASP 49 CO -0.08 0.55 -0.20 0.44 -3.12 0.00 0.00 179.24 176.83 1j7m h ASP 50 N -0.74 0.00 -7.07 6.45 3.32 -1.60 -3.47 116.42 113.31 1j7m h ASP 50 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1j7m h ASP 50 Cb 0.36 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.68 1j7m h ASP 50 CO 0.00 0.20 -0.96 0.54 -1.72 0.00 0.00 179.24 177.30 1j7m n ARG 51 N -3.54 -1.06 -4.29 3.56 1.74 0.10 -4.94 116.66 108.23 1j7m n ARG 51 Ca -0.01 0.12 -0.33 0.00 -0.77 0.00 0.00 57.85 56.86 1j7m n ARG 51 Cb 0.35 -3.78 -0.16 0.00 -1.02 0.00 0.00 32.46 27.85 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 -7.32 2.93 0.30 5.56 1.02 -1.26 -5.08 119.74 115.89 1j7m s LYS 52 Ca 0.10 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.31 1j7m s LYS 52 Cb -0.06 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1j7m s LYS 52 CO 1.00 -0.15 0.15 1.67 -0.92 0.00 0.00 175.35 177.10 1j7m s TRP 53 N 1.15 1.60 -0.26 3.18 1.48 -1.26 -1.51 118.94 123.32 1j7m s TRP 53 Ca 0.01 -1.35 -0.26 0.00 -1.06 0.00 0.00 56.10 53.44 1j7m s TRP 53 Cb -0.14 -0.87 0.12 0.00 -1.16 0.00 0.00 33.47 31.42 1j7m s TRP 53 CO -0.09 -0.50 1.02 0.20 -4.06 0.00 0.00 176.95 173.52 1j7m s GLY 54 N -3.38 -0.18 0.76 3.67 0.00 -0.84 -1.79 107.32 105.56 1j7m s GLY 54 Ca 0.35 2.54 -0.15 0.00 0.00 0.00 0.00 44.72 47.46 1j7m s GLY 54 CO 0.17 1.68 0.99 0.69 0.00 0.00 0.00 173.10 176.63 1j7m n PHE 55 N 1.95 0.67 -1.72 1.90 3.72 0.62 0.28 117.46 124.88 1j7m n PHE 55 Ca -0.12 0.39 -0.43 0.00 -0.05 0.00 0.00 57.45 57.24 1j7m n PHE 55 Cb 0.56 -2.07 -0.02 0.00 -0.94 0.00 0.00 39.48 37.01 1j7m n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7m n PRO 57 N 2.79 0.61 -3.73 0.00 -0.04 -1.26 -4.32 135.00 129.04 1j7m n PRO 57 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1j7m n PRO 57 Cb 0.35 -1.29 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.74 3.44 -0.38 3.54 -1.08 -1.26 -5.00 116.67 114.18 1j7m s ASP 58 Ca 0.17 -1.19 0.09 0.00 -0.52 0.00 0.00 52.55 51.10 1j7m s ASP 58 Cb 0.08 -0.71 0.44 0.00 -1.46 0.00 0.00 42.92 41.27 1j7m s ASP 58 CO 0.13 -0.35 1.09 0.00 0.52 0.00 0.00 175.17 176.55 1j7m n GLN 59 N 4.97 2.88 0.00 4.34 6.02 -1.26 -5.06 117.38 129.28 1j7m n GLN 59 Ca -0.06 -4.14 0.00 0.00 -0.01 0.00 0.00 57.00 52.79 1j7m n GLN 59 Cb 0.45 -2.01 0.00 0.00 1.02 0.00 0.00 30.24 29.70 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46