#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 4.14 -4.10 7.33 -0.00 -1.26 -4.99 117.44 118.56 1j7m n TRP 2 Ca 0.00 -3.62 -0.18 0.00 -0.00 0.00 0.00 57.50 53.71 1j7m n TRP 2 Cb 0.00 -1.39 -0.16 0.00 -0.00 0.00 0.00 31.31 29.76 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1j7m s MET 3 N -1.80 0.54 0.05 5.87 0.23 -1.26 -5.14 119.30 117.79 1j7m s MET 3 Ca 0.31 -0.08 0.01 0.00 -1.03 0.00 0.00 55.69 54.90 1j7m s MET 3 Cb -0.04 -0.59 -0.00 0.00 -1.53 0.00 0.00 34.83 32.67 1j7m s MET 3 CO -0.04 -0.03 0.03 0.45 -2.03 0.00 0.00 175.02 173.41 1j7m n SER 4 N 3.69 0.26 -4.99 -1.18 2.88 -1.26 -4.72 113.62 108.29 1j7m n SER 4 Ca -0.22 -1.31 -0.19 0.00 -1.33 0.00 0.00 58.87 55.83 1j7m n SER 4 Cb 0.53 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1j7m n SER 4 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1j7m s THR 5 N -2.05 3.66 0.21 2.46 -4.23 -1.22 -4.86 115.64 109.62 1j7m s THR 5 Ca 0.05 -0.96 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 1j7m s THR 5 Cb 0.00 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 1j7m s THR 5 CO 0.03 -0.11 -0.05 0.54 -0.54 0.00 0.00 174.62 174.49 1j7m s VAL 6 N -2.27 1.24 0.00 2.29 0.11 -1.24 -4.88 120.40 115.65 1j7m s VAL 6 Ca 0.49 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 1j7m s VAL 6 Cb -0.10 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1j7m s VAL 6 CO 0.32 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 1j7m n GLY 7 N -0.38 2.49 6.89 6.54 0.00 -1.26 0.21 105.19 119.67 1j7m n GLY 7 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.31 0.94 -0.02 0.00 -1.26 -4.54 105.19 101.62 1j7m n GLY 8 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.70 -0.66 -0.07 1.61 2.04 0.02 -4.91 115.26 111.59 1j7m n ASN 9 Ca 0.00 -1.82 -0.12 0.00 -0.44 0.00 0.00 54.58 52.19 1j7m n ASN 9 Cb 0.00 0.19 -0.10 0.00 -2.53 0.00 0.00 39.78 37.34 1j7m n ASN 9 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1j7m h SER 10 N 0.07 0.00 0.00 0.53 4.64 -1.78 -3.46 113.55 113.55 1j7m h SER 10 Ca -0.43 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.17 1j7m h SER 10 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1j7m h SER 10 CO -0.21 0.96 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 1j7m n GLY 11 N 1.62 1.90 1.71 -0.77 0.00 -1.26 -4.41 105.19 103.98 1j7m n GLY 11 Ca -0.11 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 3.72 -0.02 0.00 -1.26 -4.66 105.19 104.18 1j7m n GLY 12 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.69 3.41 0.62 4.61 0.00 -1.26 -4.88 121.76 123.57 1j7m s ALA 13 Ca 0.33 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1j7m s ALA 13 Cb 0.38 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1j7m s ALA 13 CO -0.15 0.56 0.96 -1.25 0.00 0.00 0.00 175.76 175.88 1j7m s PRO 14 N -0.80 2.94 0.26 0.00 0.04 -1.26 -3.45 135.00 132.73 1j7m s PRO 14 Ca 0.12 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.03 1j7m s PRO 14 Cb -0.12 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1j7m s PRO 14 CO 0.03 -0.78 1.17 0.00 0.04 0.00 0.00 177.00 177.46 1j7m s VAL 16 N -0.80 4.04 -0.04 0.00 1.01 0.20 -4.96 120.40 119.85 1j7m s VAL 16 Ca 0.48 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1j7m s VAL 16 Cb -0.34 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 1j7m s VAL 16 CO 0.42 -0.01 -0.18 -0.36 0.00 0.00 0.00 175.10 174.97 1j7m s PHE 17 N 1.49 2.59 -0.02 5.22 0.08 -1.26 -2.53 117.98 123.56 1j7m s PHE 17 Ca 0.02 -0.24 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 1j7m s PHE 17 Cb -0.18 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1j7m s PHE 17 CO 0.03 0.13 0.68 -1.25 -0.10 0.00 0.00 175.22 174.71 1j7m s PRO 18 N -0.73 4.41 0.32 0.24 0.05 -1.26 -5.07 135.00 132.96 1j7m s PRO 18 Ca 0.11 0.87 0.04 0.00 0.05 0.00 0.00 61.00 62.07 1j7m s PRO 18 Cb -0.10 -3.39 0.06 0.00 0.05 0.00 0.00 34.50 31.11 1j7m s PRO 18 CO 0.00 0.23 0.44 1.97 0.05 0.00 0.00 177.00 179.70 1j7m n PHE 19 N 3.16 -2.73 -3.67 0.56 -1.74 0.88 -4.80 117.46 109.13 1j7m n PHE 19 Ca -0.04 -1.08 -0.20 0.00 -0.56 0.00 0.00 57.45 55.57 1j7m n PHE 19 Cb 0.51 -0.31 -0.18 0.00 1.52 0.00 0.00 39.48 41.02 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 -1.02 -0.11 -0.09 1.97 2.01 -0.88 0.54 115.64 118.06 1j7m s THR 20 Ca 0.33 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.77 1j7m s THR 20 Cb -0.02 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.31 1j7m s THR 20 CO 0.21 0.16 -0.21 0.12 -0.69 0.00 0.00 174.62 174.22 1j7m s PHE 21 N 2.17 2.59 -1.19 4.92 5.36 0.36 -1.85 117.98 130.34 1j7m s PHE 21 Ca 0.05 -0.72 -0.04 0.00 -0.96 0.00 0.00 56.93 55.26 1j7m s PHE 21 Cb -0.12 -1.69 0.04 0.00 -0.34 0.00 0.00 43.02 40.91 1j7m s PHE 21 CO -0.03 -0.22 0.11 1.28 -1.46 0.00 0.00 175.22 174.90 1j7m n LEU 22 N 3.16 -0.68 0.00 6.12 7.99 -1.26 0.31 117.00 132.64 1j7m n LEU 22 Ca -0.18 -0.93 0.00 0.00 -0.01 0.00 0.00 56.01 54.89 1j7m n LEU 22 Cb 0.52 -1.16 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1j7m n LEU 22 CO 0.27 0.28 0.00 0.61 -1.51 0.00 0.00 177.39 177.04 1j7m n GLY 23 N -1.85 1.02 3.65 -0.72 0.00 -1.26 -5.07 105.19 100.96 1j7m n GLY 23 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.73 4.82 -0.18 1.61 0.01 0.15 -5.10 114.94 113.53 1j7m s ASN 24 Ca 0.00 -0.25 -0.18 0.00 -0.71 0.00 0.00 52.86 51.72 1j7m s ASN 24 Cb 0.00 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.55 1j7m s ASN 24 CO 0.00 0.17 0.51 -0.54 -1.51 0.00 0.00 177.10 175.74 1j7m s LYS 25 N -2.28 4.23 -0.25 -0.60 -0.14 -1.26 -0.49 119.74 118.95 1j7m s LYS 25 Ca 0.24 0.44 -0.01 0.00 -1.36 0.00 0.00 55.97 55.28 1j7m s LYS 25 Cb -0.11 -3.53 0.03 0.00 -1.68 0.00 0.00 37.83 32.54 1j7m s LYS 25 CO 0.17 -0.07 -0.06 0.71 -0.76 0.00 0.00 175.35 175.34 1j7m s TYR 26 N 1.37 3.10 -0.77 3.18 1.51 0.19 -4.93 117.35 121.00 1j7m s TYR 26 Ca 0.25 -1.65 0.23 0.00 -1.01 0.00 0.00 57.07 54.89 1j7m s TYR 26 Cb -0.15 -2.05 0.16 0.00 -0.11 0.00 0.00 41.96 39.81 1j7m s TYR 26 CO 0.10 -0.75 1.14 0.39 -1.11 0.00 0.00 175.55 175.32 1j7m n GLU 27 N 4.65 0.18 -1.29 -0.62 1.02 -1.26 -0.08 120.64 123.22 1j7m n GLU 27 Ca -0.16 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1j7m n GLU 27 Cb 0.46 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.79 0.69 -4.80 1.62 3.41 -1.26 -4.83 113.62 106.66 1j7m n SER 28 Ca 0.03 -0.65 -0.29 0.00 -0.26 0.00 0.00 58.87 57.71 1j7m n SER 28 Cb 0.40 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.47 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 -3.37 0.01 -0.11 0.00 -1.32 0.14 -4.95 115.64 106.04 1j7m s THR 30 Ca 0.63 -1.59 0.16 0.00 -1.21 0.00 0.00 61.69 59.68 1j7m s THR 30 Cb -0.14 -2.26 0.24 0.00 -1.51 0.00 0.00 72.50 68.84 1j7m s THR 30 CO 0.52 -0.03 1.13 -1.54 -2.21 0.00 0.00 174.62 172.49 1j7m n SER 31 N -0.33 1.92 -4.74 8.08 3.41 -1.26 0.88 113.62 121.58 1j7m n SER 31 Ca -0.01 -2.91 -0.42 0.00 -0.26 0.00 0.00 58.87 55.27 1j7m n SER 31 Cb 0.63 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.17 2.70 -0.80 7.33 0.00 -1.26 -1.53 120.51 125.78 1j7m n ALA 32 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1j7m n ALA 32 Cb 0.65 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 2.86 0.66 0.00 0.00 0.00 -1.26 -4.83 105.19 102.63 1j7m n GLY 33 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -2.02 1.61 1.74 -0.58 -4.98 116.66 110.43 1j7m n ARG 34 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1j7m n ARG 34 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 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 -1.07 -5.33 -0.10 0.55 7.64 -1.03 -4.85 113.62 109.43 1j7m n SER 35 Ca 0.00 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 1j7m n SER 35 Cb 0.00 -4.43 -0.14 0.00 -1.01 0.00 0.00 64.21 58.63 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 -1.34 1.06 0.00 6.43 5.75 -1.26 -5.02 116.55 122.17 1j7m n ASP 36 Ca -0.21 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 1j7m n ASP 36 Cb 0.65 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 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 1.98 3.16 3.73 6.12 0.00 -1.26 -5.13 105.19 113.78 1j7m n GLY 37 Ca -0.38 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 4.48 0.19 1.61 -0.14 -1.26 -5.06 119.74 119.56 1j7m s LYS 38 Ca 0.00 1.03 -0.13 0.00 -1.36 0.00 0.00 55.97 55.51 1j7m s LYS 38 Cb 0.00 -3.42 -0.07 0.00 -1.68 0.00 0.00 37.83 32.66 1j7m s LYS 38 CO 0.00 0.13 0.56 -1.64 -0.76 0.00 0.00 175.35 173.64 1j7m s MET 39 N 0.51 3.91 0.00 1.68 -1.94 -1.26 -4.80 119.30 117.40 1j7m s MET 39 Ca 0.40 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 54.80 1j7m s MET 39 Cb -0.19 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1j7m s MET 39 CO 0.21 0.40 0.00 -2.67 -0.01 0.00 0.00 175.02 172.96 1j7m n TRP 40 N 0.40 0.00 -3.69 -0.03 4.27 0.25 0.21 117.44 118.86 1j7m n TRP 40 Ca -0.03 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.44 1j7m n TRP 40 Cb 0.52 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.38 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 -0.06 3.24 -1.94 0.00 0.00 -1.26 -1.37 121.76 120.37 1j7m s ALA 42 Ca -0.03 0.70 0.22 0.00 0.00 0.00 0.00 51.96 52.85 1j7m s ALA 42 Cb -0.03 -3.26 0.64 0.00 0.00 0.00 0.00 23.12 20.46 1j7m s ALA 42 CO 0.02 -0.05 1.53 0.25 0.00 0.00 0.00 175.76 177.51 1j7m n THR 43 N 0.64 1.01 -4.09 0.00 -2.24 -0.56 -0.63 114.28 108.41 1j7m n THR 43 Ca 0.02 -0.97 -0.14 0.00 -2.27 0.00 0.00 64.05 60.69 1j7m n THR 43 Cb 0.48 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.10 0.48 0.14 4.28 -4.23 -1.25 -4.62 115.64 109.34 1j7m s THR 44 Ca 0.48 -0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 60.01 1j7m s THR 44 Cb 0.25 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.57 1j7m s THR 44 CO 0.32 -0.23 1.75 0.00 -0.54 0.00 0.00 174.62 175.91 1j7m h ALA 45 N 4.98 0.32 -2.84 3.99 0.00 -1.89 -3.34 119.26 120.48 1j7m h ALA 45 Ca -0.33 0.04 -0.71 0.00 0.00 0.00 0.00 54.91 53.90 1j7m h ALA 45 Cb 1.20 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 1j7m h ALA 45 CO 0.44 -0.32 -0.44 1.21 0.00 0.00 0.00 179.25 180.13 1j7m s ASN 46 N -5.32 5.54 0.23 0.00 3.84 -1.26 -2.08 114.94 115.88 1j7m s ASN 46 Ca -0.13 -1.99 0.04 0.00 0.21 0.00 0.00 52.86 50.99 1j7m s ASN 46 Cb 0.11 -1.94 0.23 0.00 -0.55 0.00 0.00 41.25 39.09 1j7m s ASN 46 CO 0.70 -0.63 1.55 0.22 -2.79 0.00 0.00 177.10 176.15 1j7m h TYR 47 N 8.26 0.32 -1.01 0.43 5.03 -1.49 -2.73 116.97 125.78 1j7m h TYR 47 Ca -0.17 -0.13 0.31 0.00 2.58 0.00 0.00 58.73 61.32 1j7m h TYR 47 Cb 1.06 -0.06 -0.14 0.00 1.55 0.00 0.00 36.73 39.14 1j7m h TYR 47 CO 0.61 0.80 0.58 -0.44 -1.32 0.00 0.00 178.16 178.40 1j7m h ASP 48 N 0.18 0.54 0.00 -2.11 3.32 -1.87 0.48 116.42 116.97 1j7m h ASP 48 Ca -0.01 0.18 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1j7m h ASP 48 Cb 1.13 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1j7m h ASP 48 CO 0.10 -0.09 -1.34 0.47 -1.72 0.00 0.00 179.24 176.66 1j7m n ASP 49 N -5.00 1.90 0.01 6.45 8.00 -1.21 -4.64 116.55 122.07 1j7m n ASP 49 Ca 0.31 0.42 -0.06 0.00 0.71 0.00 0.00 54.79 56.17 1j7m n ASP 49 Cb 0.95 -0.83 0.14 0.00 -0.02 0.00 0.00 41.12 41.35 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 0.52 -5.93 -2.24 3.32 -1.41 -3.47 116.42 106.20 1j7m h ASP 50 Ca -0.24 -0.22 -0.45 0.00 0.02 0.00 0.00 57.03 56.14 1j7m h ASP 50 Cb 1.10 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 1j7m h ASP 50 CO -0.15 0.86 -0.68 0.54 -1.72 0.00 0.00 179.24 178.08 1j7m n ARG 51 N -4.03 -4.27 -3.78 3.56 5.12 0.17 -4.95 116.66 108.48 1j7m n ARG 51 Ca -0.01 0.53 -0.36 0.00 -1.93 0.00 0.00 57.85 56.07 1j7m n ARG 51 Cb 0.50 -5.33 -0.13 0.00 -1.16 0.00 0.00 32.46 26.34 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 -6.39 3.47 0.37 5.56 1.02 -1.26 -5.03 119.74 117.48 1j7m s LYS 52 Ca 0.56 -0.60 0.04 0.00 0.02 0.00 0.00 55.97 55.99 1j7m s LYS 52 Cb -0.29 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1j7m s LYS 52 CO 0.69 -0.26 0.09 1.67 -0.92 0.00 0.00 175.35 176.62 1j7m s TRP 53 N 1.57 1.86 -0.24 3.18 1.48 -1.26 -1.50 118.94 124.02 1j7m s TRP 53 Ca 0.05 -1.12 -0.26 0.00 -1.06 0.00 0.00 56.10 53.72 1j7m s TRP 53 Cb -0.15 -1.23 0.10 0.00 -1.16 0.00 0.00 33.47 31.02 1j7m s TRP 53 CO 0.02 -0.13 0.91 0.20 -4.06 0.00 0.00 176.95 173.89 1j7m s GLY 54 N -3.56 -0.32 0.76 3.67 0.00 -0.47 -0.80 107.32 106.61 1j7m s GLY 54 Ca 0.29 2.30 -0.15 0.00 0.00 0.00 0.00 44.72 47.15 1j7m s GLY 54 CO 0.14 1.64 1.16 0.69 0.00 0.00 0.00 173.10 176.73 1j7m n PHE 55 N 2.06 1.24 -1.74 1.90 3.72 0.58 0.10 117.46 125.32 1j7m n PHE 55 Ca -0.13 0.40 -0.34 0.00 -0.05 0.00 0.00 57.45 57.33 1j7m n PHE 55 Cb 0.56 -2.13 0.06 0.00 -0.94 0.00 0.00 39.48 37.02 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 -2.28 2.84 -1.69 0.00 -0.04 -1.26 -4.80 135.00 127.78 1j7m n PRO 57 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1j7m n PRO 57 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.79 5.98 0.11 3.54 2.15 -1.26 -4.73 116.67 120.67 1j7m s ASP 58 Ca 0.00 2.20 0.00 0.00 0.43 0.00 0.00 52.55 55.18 1j7m s ASP 58 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1j7m s ASP 58 CO 0.00 -1.49 0.00 0.00 -0.17 0.00 0.00 175.17 173.51 1j7m n GLN 59 N 8.11 0.00 0.00 4.34 6.02 -1.26 -5.26 117.38 129.34 1j7m n GLN 59 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1j7m n GLN 59 Cb 0.43 -0.26 0.00 0.00 1.02 0.00 0.00 30.24 31.43 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46