#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m s TRP 2 N 0.00 2.18 0.41 1.43 -0.11 -1.26 -5.11 118.94 116.49 1j7m s TRP 2 Ca 0.00 -2.68 0.07 0.00 1.22 0.00 0.00 56.10 54.71 1j7m s TRP 2 Cb 0.00 -1.81 -0.05 0.00 -1.50 0.00 0.00 33.47 30.11 1j7m s TRP 2 CO 0.00 -0.72 0.21 0.00 -4.62 0.00 0.00 176.95 171.82 1j7m s MET 3 N -0.33 2.28 0.77 5.86 0.23 -1.26 -5.14 119.30 121.71 1j7m s MET 3 Ca 0.25 -1.78 -0.08 0.00 -1.03 0.00 0.00 55.69 53.05 1j7m s MET 3 Cb -0.08 -2.05 0.17 0.00 -1.53 0.00 0.00 34.83 31.33 1j7m s MET 3 CO -0.12 -0.12 1.05 0.43 -2.03 0.00 0.00 175.02 174.23 1j7m n SER 4 N -1.28 0.57 -4.97 -1.18 7.64 -1.26 -4.62 113.62 108.51 1j7m n SER 4 Ca -0.00 -1.68 -0.18 0.00 1.01 0.00 0.00 58.87 58.02 1j7m n SER 4 Cb 0.64 -0.75 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -3.19 2.88 0.14 0.44 -4.23 -1.24 -4.76 115.64 105.68 1j7m s THR 5 Ca 0.63 -1.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1j7m s THR 5 Cb -0.02 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1j7m s THR 5 CO 0.43 0.00 0.03 0.54 -0.54 0.00 0.00 174.62 175.08 1j7m s VAL 6 N -2.39 0.32 0.00 2.29 0.11 -1.24 -4.31 120.40 115.18 1j7m s VAL 6 Ca 0.53 -1.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 1j7m s VAL 6 Cb -0.08 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1j7m s VAL 6 CO 0.31 -0.51 0.00 0.61 -3.33 0.00 0.00 175.10 172.19 1j7m n GLY 7 N -0.13 0.72 7.00 6.54 0.00 -1.26 0.21 105.19 118.27 1j7m n GLY 7 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 1.35 0.00 -0.02 0.00 -1.26 -4.42 105.19 100.84 1j7m n GLY 8 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.45 1.13 -0.29 1.61 6.94 -0.98 -4.82 115.26 116.39 1j7m n ASN 9 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 54.58 54.68 1j7m n ASN 9 Cb 0.00 0.12 0.36 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.69 0.00 0.53 0.02 -1.82 -3.47 113.55 109.50 1j7m h SER 10 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1j7m h SER 10 Cb 0.22 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1j7m h SER 10 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1j7m n GLY 11 N -1.42 1.59 1.71 -3.77 0.00 -1.26 -4.52 105.19 97.52 1j7m n GLY 11 Ca 0.19 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 1.12 3.76 -0.02 0.00 -1.26 -3.97 105.19 104.81 1j7m n GLY 12 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.61 3.31 0.33 4.61 0.00 -1.26 -3.65 121.76 124.48 1j7m s ALA 13 Ca 0.32 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.58 1j7m s ALA 13 Cb 0.37 -3.20 -0.11 0.00 0.00 0.00 0.00 23.12 20.18 1j7m s ALA 13 CO -0.15 0.20 1.53 -2.14 0.00 0.00 0.00 175.76 175.21 1j7m s PRO 14 N -1.40 4.13 -0.02 0.00 0.02 -1.26 -3.77 135.00 132.70 1j7m s PRO 14 Ca 0.43 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.70 1j7m s PRO 14 Cb -0.24 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1j7m s PRO 14 CO 0.30 -0.56 1.20 0.00 -0.33 0.00 0.00 177.00 177.61 1j7m s VAL 16 N 1.82 4.93 -0.04 0.00 1.01 -0.19 -4.95 120.40 122.98 1j7m s VAL 16 Ca 0.57 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1j7m s VAL 16 Cb -0.26 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1j7m s VAL 16 CO 0.25 0.02 -0.20 -0.36 0.00 0.00 0.00 175.10 174.81 1j7m s PHE 17 N 2.37 2.54 -0.06 5.22 0.08 -1.26 -2.44 117.98 124.42 1j7m s PHE 17 Ca 0.32 -0.34 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 1j7m s PHE 17 Cb -0.16 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 1j7m s PHE 17 CO 0.09 0.05 0.72 -1.25 -0.10 0.00 0.00 175.22 174.73 1j7m s PRO 18 N -0.59 4.44 -0.16 0.24 0.05 -1.26 -5.03 135.00 132.68 1j7m s PRO 18 Ca 0.09 0.91 -0.15 0.00 0.05 0.00 0.00 61.00 61.89 1j7m s PRO 18 Cb -0.11 -3.45 -0.04 0.00 0.05 0.00 0.00 34.50 30.95 1j7m s PRO 18 CO 0.00 0.05 0.37 -0.59 0.05 0.00 0.00 177.00 176.88 1j7m s PHE 19 N 0.83 3.45 -0.21 0.56 -0.71 0.41 -4.62 117.98 117.68 1j7m s PHE 19 Ca 0.38 0.67 -0.18 0.00 -1.04 0.00 0.00 56.93 56.76 1j7m s PHE 19 Cb -0.18 -2.45 -0.03 0.00 -1.21 0.00 0.00 43.02 39.15 1j7m s PHE 19 CO 0.19 0.14 0.50 0.99 -1.34 0.00 0.00 175.22 175.70 1j7m s THR 20 N 0.77 5.11 0.03 -4.49 2.01 -0.72 0.38 115.64 118.72 1j7m s THR 20 Ca 0.20 0.91 0.06 0.00 0.31 0.00 0.00 61.69 63.16 1j7m s THR 20 Cb -0.14 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1j7m s THR 20 CO 0.07 0.17 -0.17 0.12 -0.69 0.00 0.00 174.62 174.12 1j7m s PHE 21 N 1.70 1.49 -0.43 4.92 5.36 -0.14 -1.82 117.98 129.05 1j7m s PHE 21 Ca 0.23 -0.34 -0.03 0.00 -0.96 0.00 0.00 56.93 55.83 1j7m s PHE 21 Cb -0.15 -0.91 0.03 0.00 -0.34 0.00 0.00 43.02 41.65 1j7m s PHE 21 CO 0.09 0.04 0.09 1.28 -1.46 0.00 0.00 175.22 175.26 1j7m n LEU 22 N 2.10 -0.36 0.00 6.12 7.99 -1.26 0.42 117.00 132.01 1j7m n LEU 22 Ca -0.17 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1j7m n LEU 22 Cb 0.54 -1.31 0.00 0.00 -0.11 0.00 0.00 43.42 42.54 1j7m n LEU 22 CO 0.23 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.72 1j7m n GLY 23 N -0.65 0.84 3.45 -0.72 0.00 -1.26 -5.05 105.19 101.80 1j7m n GLY 23 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.00 4.17 -0.22 1.61 0.01 0.17 -5.09 114.94 112.60 1j7m s ASN 24 Ca 0.00 -0.21 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 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 0.27 1.15 -0.54 -1.51 0.00 0.00 177.10 176.47 1j7m s LYS 25 N -0.27 4.21 -0.43 -0.60 -0.14 -1.26 -0.96 119.74 120.28 1j7m s LYS 25 Ca 0.02 1.45 -0.12 0.00 -1.36 0.00 0.00 55.97 55.96 1j7m s LYS 25 Cb -0.13 -3.72 0.07 0.00 -1.68 0.00 0.00 37.83 32.37 1j7m s LYS 25 CO 0.03 -0.72 0.31 0.71 -0.76 0.00 0.00 175.35 174.92 1j7m s TYR 26 N 3.44 3.29 -0.66 3.18 2.02 0.16 -4.88 117.35 123.90 1j7m s TYR 26 Ca 0.49 -1.19 0.25 0.00 -0.37 0.00 0.00 57.07 56.26 1j7m s TYR 26 Cb -0.18 -2.96 0.56 0.00 -0.40 0.00 0.00 41.96 38.99 1j7m s TYR 26 CO 0.11 -0.79 1.55 0.93 -1.57 0.00 0.00 175.55 175.78 1j7m h GLU 27 N 8.55 0.00 0.00 -0.62 5.08 -1.91 0.12 114.58 125.80 1j7m h GLU 27 Ca -0.25 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.78 1j7m h GLU 27 Cb 1.10 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1j7m h GLU 27 CO 0.79 0.00 -0.29 -1.13 -1.00 0.00 0.00 179.01 177.39 1j7m n SER 28 N -2.27 0.73 -4.68 1.42 3.41 -1.26 -4.83 113.62 106.14 1j7m n SER 28 Ca 0.04 -2.33 -0.30 0.00 -0.26 0.00 0.00 58.87 56.02 1j7m n SER 28 Cb 0.44 0.73 0.16 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.79 0.01 -0.05 0.00 -1.32 0.59 -4.94 115.64 107.14 1j7m s THR 30 Ca 0.65 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 59.20 1j7m s THR 30 Cb -0.20 -2.50 0.11 0.00 -1.51 0.00 0.00 72.50 68.40 1j7m s THR 30 CO 0.58 0.00 0.98 -1.54 -2.21 0.00 0.00 174.62 172.43 1j7m n SER 31 N -1.15 1.28 -4.77 8.08 3.41 -1.26 0.30 113.62 119.51 1j7m n SER 31 Ca 0.06 -2.26 -0.41 0.00 -0.26 0.00 0.00 58.87 56.00 1j7m n SER 31 Cb 0.63 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.27 3.54 0.00 7.33 0.00 -1.26 -1.39 121.76 128.71 1j7m s ALA 32 Ca 0.12 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1j7m s ALA 32 Cb 0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1j7m s ALA 32 CO 0.01 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1j7m n GLY 33 N 0.64 2.73 0.22 0.00 0.00 -1.26 -4.76 105.19 102.76 1j7m n GLY 33 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.98 0.00 -2.59 1.61 1.74 -0.85 -5.00 116.66 109.58 1j7m n ARG 34 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1j7m n ARG 34 Cb 0.00 -0.29 0.01 0.00 -1.02 0.00 0.00 32.46 31.16 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 -2.27 -5.63 -0.00 0.55 2.88 -0.49 -4.88 113.62 103.78 1j7m n SER 35 Ca 0.00 -0.11 -0.03 0.00 -1.33 0.00 0.00 58.87 57.40 1j7m n SER 35 Cb 0.00 -4.59 -0.01 0.00 -0.75 0.00 0.00 64.21 58.86 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 -1.86 1.04 0.01 -3.46 5.75 -1.26 -5.09 116.55 111.69 1j7m n ASP 36 Ca -0.18 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1j7m n ASP 36 Cb 0.65 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 2.70 -0.63 3.60 6.12 0.00 -1.26 -5.11 105.19 110.61 1j7m n GLY 37 Ca -0.04 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.44 0.63 1.61 3.01 -1.26 -4.99 119.74 120.18 1j7m s LYS 38 Ca 0.00 1.41 -0.12 0.00 -1.01 0.00 0.00 55.97 56.25 1j7m s LYS 38 Cb 0.00 -4.15 -0.03 0.00 -1.01 0.00 0.00 37.83 32.64 1j7m s LYS 38 CO 0.00 -1.73 1.04 -1.64 0.51 0.00 0.00 175.35 173.53 1j7m s MET 39 N 5.42 3.38 0.00 1.68 -1.94 -1.26 -4.89 119.30 121.68 1j7m s MET 39 Ca 0.77 0.92 0.00 0.00 -1.71 0.00 0.00 55.69 55.66 1j7m s MET 39 Cb -0.22 -2.05 0.00 0.00 2.01 0.00 0.00 34.83 34.57 1j7m s MET 39 CO 0.33 -0.74 0.00 -2.67 -0.01 0.00 0.00 175.02 171.93 1j7m n TRP 40 N -2.61 -0.09 -3.59 -0.03 4.27 0.15 0.16 117.44 115.69 1j7m n TRP 40 Ca 0.07 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.53 1j7m n TRP 40 Cb 0.54 0.00 -0.07 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 -0.28 2.90 -1.91 0.00 0.00 -1.26 -1.21 121.76 120.00 1j7m s ALA 42 Ca -0.04 0.33 0.21 0.00 0.00 0.00 0.00 51.96 52.46 1j7m s ALA 42 Cb -0.03 -3.18 0.56 0.00 0.00 0.00 0.00 23.12 20.47 1j7m s ALA 42 CO 0.04 -0.48 1.48 0.25 0.00 0.00 0.00 175.76 177.05 1j7m n THR 43 N -1.68 0.91 -4.21 0.00 -2.24 -0.55 -1.03 114.28 105.49 1j7m n THR 43 Ca 0.08 -0.95 -0.17 0.00 -2.27 0.00 0.00 64.05 60.73 1j7m n THR 43 Cb 0.53 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.07 1.16 0.11 4.28 -4.23 -1.26 -4.43 115.64 110.20 1j7m s THR 44 Ca 0.44 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.13 1j7m s THR 44 Cb 0.23 -1.38 -0.10 0.00 1.34 0.00 0.00 72.50 72.59 1j7m s THR 44 CO 0.31 -0.42 1.76 0.00 -0.54 0.00 0.00 174.62 175.72 1j7m h ALA 45 N 3.69 0.15 -3.25 3.99 0.00 -1.89 -3.38 119.26 118.56 1j7m h ALA 45 Ca -0.39 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 1j7m h ALA 45 Cb 1.19 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 18.64 1j7m h ALA 45 CO 0.49 -0.37 -0.63 1.21 0.00 0.00 0.00 179.25 179.96 1j7m s ASN 46 N -5.29 5.19 0.15 0.00 3.84 -1.26 -1.76 114.94 115.80 1j7m s ASN 46 Ca -0.13 -1.29 0.07 0.00 0.21 0.00 0.00 52.86 51.72 1j7m s ASN 46 Cb 0.07 -1.82 -0.10 0.00 -0.55 0.00 0.00 41.25 38.85 1j7m s ASN 46 CO 0.68 -0.34 1.34 0.22 -2.79 0.00 0.00 177.10 176.21 1j7m h TYR 47 N 8.14 0.04 -0.52 0.43 3.20 -1.54 -3.03 116.97 123.69 1j7m h TYR 47 Ca -0.22 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.72 1j7m h TYR 47 Cb 1.07 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 1j7m h TYR 47 CO 0.60 0.95 0.35 -0.44 -1.64 0.00 0.00 178.16 177.98 1j7m h ASP 48 N 0.01 0.27 0.00 -2.11 3.32 -1.88 0.30 116.42 116.33 1j7m h ASP 48 Ca -0.02 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1j7m h ASP 48 Cb 1.65 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1j7m h ASP 48 CO 0.12 0.17 -0.70 0.47 -1.72 0.00 0.00 179.24 177.58 1j7m n ASP 49 N -4.46 1.82 0.08 6.45 8.00 -1.24 -4.61 116.55 122.60 1j7m n ASP 49 Ca 0.08 0.58 -0.07 0.00 0.71 0.00 0.00 54.79 56.09 1j7m n ASP 49 Cb 0.37 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 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 -1.00 0.08 -6.49 -2.24 3.32 -1.56 -3.48 116.42 105.06 1j7m h ASP 50 Ca -0.08 -0.08 -0.50 0.00 0.02 0.00 0.00 57.03 56.39 1j7m h ASP 50 Cb 0.70 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 1j7m h ASP 50 CO -0.05 0.96 -0.84 0.54 -1.72 0.00 0.00 179.24 178.13 1j7m n ARG 51 N -3.51 -3.91 -3.86 3.56 5.12 0.10 -4.96 116.66 109.21 1j7m n ARG 51 Ca -0.02 0.46 -0.36 0.00 -1.93 0.00 0.00 57.85 56.01 1j7m n ARG 51 Cb 0.86 -4.97 -0.13 0.00 -1.16 0.00 0.00 32.46 27.05 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 -6.62 3.24 0.33 5.56 1.02 -1.26 -5.05 119.74 116.96 1j7m s LYS 52 Ca 0.36 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.66 1j7m s LYS 52 Cb -0.19 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1j7m s LYS 52 CO 0.88 -0.30 0.14 1.67 -0.92 0.00 0.00 175.35 176.82 1j7m s TRP 53 N 1.48 1.69 -0.19 3.18 1.48 -1.26 -1.48 118.94 123.83 1j7m s TRP 53 Ca 0.04 -1.31 -0.27 0.00 -1.06 0.00 0.00 56.10 53.50 1j7m s TRP 53 Cb -0.16 -0.98 0.08 0.00 -1.16 0.00 0.00 33.47 31.26 1j7m s TRP 53 CO -0.01 -0.41 0.79 0.20 -4.06 0.00 0.00 176.95 173.46 1j7m s GLY 54 N -3.45 -0.46 0.88 3.67 0.00 -0.35 -2.33 107.32 105.29 1j7m s GLY 54 Ca 0.33 1.93 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 1j7m s GLY 54 CO 0.17 1.45 1.17 -1.36 0.00 0.00 0.00 173.10 174.53 1j7m s PHE 55 N -0.27 1.64 -0.39 1.90 0.08 0.58 0.68 117.98 122.20 1j7m s PHE 55 Ca -0.03 1.76 -0.23 0.00 0.12 0.00 0.00 56.93 58.55 1j7m s PHE 55 Cb -0.03 -3.41 0.01 0.00 -0.57 0.00 0.00 43.02 39.02 1j7m s PHE 55 CO 0.03 -2.88 0.79 0.00 -0.10 0.00 0.00 175.22 173.06 1j7m n PRO 57 N 6.51 1.00 -3.17 0.00 -0.04 -1.26 -4.02 135.00 134.02 1j7m n PRO 57 Ca 0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 1j7m n PRO 57 Cb 0.48 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1j7m n PRO 57 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j7m n ASP 58 N -0.82 -0.90 0.07 3.54 -0.08 -1.26 -4.97 116.55 112.13 1j7m n ASP 58 Ca 0.15 -2.65 -0.17 0.00 -1.51 0.00 0.00 54.79 50.61 1j7m n ASP 58 Cb 0.07 -0.03 -0.09 0.00 2.34 0.00 0.00 41.12 43.41 1j7m n ASP 58 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1j7m h GLN 59 N 4.80 0.51 0.00 -0.67 4.20 -1.97 -3.49 115.11 118.50 1j7m h GLN 59 Ca 0.13 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1j7m h GLN 59 Cb 0.94 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1j7m h GLN 59 CO 0.35 1.24 0.00 0.41 -0.67 0.00 0.00 178.83 180.16