#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 3.16 0.24 1.43 0.52 -1.26 -5.07 118.94 117.96 1j7m s TRP 2 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 56.10 55.08 1j7m s TRP 2 Cb 0.00 -2.31 -0.09 0.00 -1.15 0.00 0.00 33.47 29.92 1j7m s TRP 2 CO 0.00 -0.51 1.30 0.00 0.02 0.00 0.00 176.95 177.76 1j7m s MET 3 N 1.56 4.39 0.21 4.98 0.23 -1.26 -5.05 119.30 124.36 1j7m s MET 3 Ca 0.04 2.09 0.02 0.00 -1.03 0.00 0.00 55.69 56.81 1j7m s MET 3 Cb -0.17 -3.16 0.02 0.00 -1.53 0.00 0.00 34.83 30.00 1j7m s MET 3 CO 0.04 -0.21 0.19 0.43 -2.03 0.00 0.00 175.02 173.45 1j7m n SER 4 N 2.02 1.41 -4.35 -1.18 7.64 -1.26 -3.28 113.62 114.63 1j7m n SER 4 Ca 0.04 -1.66 -0.25 0.00 1.01 0.00 0.00 58.87 58.01 1j7m n SER 4 Cb 0.42 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.82 1.98 0.00 0.44 -4.23 -1.24 -3.58 115.64 108.19 1j7m s THR 5 Ca 0.14 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1j7m s THR 5 Cb -0.01 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1j7m s THR 5 CO 0.09 -0.10 0.00 0.52 -0.54 0.00 0.00 174.62 174.60 1j7m n VAL 6 N 0.71 0.00 0.00 2.29 0.31 -0.71 -4.33 118.33 116.60 1j7m n VAL 6 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1j7m n VAL 6 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 4.57 1.56 5.75 2.92 0.00 -1.26 0.12 105.19 118.85 1j7m n GLY 7 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.84 0.00 -0.02 0.00 -1.26 -4.61 105.19 100.14 1j7m n GLY 8 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.53 0.00 0.24 1.61 2.04 -0.53 -4.84 115.26 111.25 1j7m n ASN 9 Ca 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.27 1j7m n ASN 9 Cb 0.00 0.00 0.46 0.00 -2.53 0.00 0.00 39.78 37.71 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 -1.77 -3.49 113.55 108.84 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1j7m h SER 10 CO 0.00 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 1j7m n GLY 11 N 0.41 1.08 2.39 -3.77 0.00 -1.26 -4.22 105.19 99.81 1j7m n GLY 11 Ca 0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 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 4.27 3.79 -0.02 0.00 -1.26 -4.16 105.19 107.80 1j7m n GLY 12 Ca 0.00 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.68 3.46 0.22 4.61 0.00 -1.26 -4.48 121.76 120.62 1j7m s ALA 13 Ca 0.40 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1j7m s ALA 13 Cb 0.37 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.48 1j7m s ALA 13 CO 0.00 0.31 1.64 -2.14 0.00 0.00 0.00 175.76 175.57 1j7m s PRO 14 N -1.30 4.15 -0.10 0.00 0.02 -1.26 -3.72 135.00 132.79 1j7m s PRO 14 Ca 0.36 2.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 1j7m s PRO 14 Cb -0.22 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 1j7m s PRO 14 CO 0.24 -0.67 1.42 0.00 -0.33 0.00 0.00 177.00 177.66 1j7m s VAL 16 N 3.54 4.25 -0.03 0.00 1.01 -0.64 -4.94 120.40 123.58 1j7m s VAL 16 Ca 0.63 1.44 0.07 0.00 0.00 0.00 0.00 61.98 64.11 1j7m s VAL 16 Cb -0.27 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1j7m s VAL 16 CO 0.22 -0.41 -0.23 -0.36 0.00 0.00 0.00 175.10 174.31 1j7m s PHE 17 N 4.06 2.43 0.14 5.22 0.08 -1.26 -2.69 117.98 125.95 1j7m s PHE 17 Ca 0.54 -0.37 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 1j7m s PHE 17 Cb -0.17 -1.54 -0.07 0.00 -0.57 0.00 0.00 43.02 40.68 1j7m s PHE 17 CO 0.20 0.01 0.81 -1.25 -0.10 0.00 0.00 175.22 174.89 1j7m s PRO 18 N -0.63 4.60 0.21 0.24 0.05 -1.26 -5.08 135.00 133.13 1j7m s PRO 18 Ca 0.10 1.20 0.03 0.00 0.05 0.00 0.00 61.00 62.38 1j7m s PRO 18 Cb -0.10 -3.30 0.03 0.00 0.05 0.00 0.00 34.50 31.18 1j7m s PRO 18 CO -0.01 0.46 0.25 1.97 0.05 0.00 0.00 177.00 179.73 1j7m n PHE 19 N 1.99 -2.27 -3.70 0.56 -1.74 0.16 -4.84 117.46 107.62 1j7m n PHE 19 Ca -0.04 -0.80 -0.18 0.00 -0.56 0.00 0.00 57.45 55.88 1j7m n PHE 19 Cb 0.49 -0.19 -0.17 0.00 1.52 0.00 0.00 39.48 41.13 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 -0.52 -0.11 -0.07 1.97 2.01 -1.13 0.04 115.64 117.84 1j7m s THR 20 Ca 0.19 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.58 1j7m s THR 20 Cb -0.02 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.34 1j7m s THR 20 CO 0.12 0.14 -0.21 0.12 -0.69 0.00 0.00 174.62 174.10 1j7m s PHE 21 N 1.79 2.18 -1.02 4.92 5.36 0.33 -2.15 117.98 129.39 1j7m s PHE 21 Ca -0.00 -0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 55.20 1j7m s PHE 21 Cb -0.12 -1.46 0.03 0.00 -0.34 0.00 0.00 43.02 41.13 1j7m s PHE 21 CO -0.03 -0.26 0.08 1.28 -1.46 0.00 0.00 175.22 174.83 1j7m n LEU 22 N 3.24 -0.59 0.00 6.12 7.99 -1.26 0.46 117.00 132.96 1j7m n LEU 22 Ca -0.19 -0.80 0.00 0.00 -0.01 0.00 0.00 56.01 55.01 1j7m n LEU 22 Cb 0.52 -1.00 0.00 0.00 -0.11 0.00 0.00 43.42 42.83 1j7m n LEU 22 CO 0.26 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1j7m n GLY 23 N -1.75 1.09 3.70 -0.72 0.00 -1.26 -5.07 105.19 101.18 1j7m n GLY 23 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.10 4.97 -0.19 1.61 0.01 0.17 -5.11 114.94 114.31 1j7m s ASN 24 Ca 0.00 -0.33 -0.15 0.00 -0.71 0.00 0.00 52.86 51.67 1j7m s ASN 24 Cb 0.00 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 1j7m s ASN 24 CO 0.00 0.08 0.33 -0.54 -1.51 0.00 0.00 177.10 175.46 1j7m s LYS 25 N -3.02 4.19 -0.17 -0.60 -0.14 -1.26 -0.51 119.74 118.24 1j7m s LYS 25 Ca 0.29 0.11 0.01 0.00 -1.36 0.00 0.00 55.97 55.01 1j7m s LYS 25 Cb -0.09 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 1j7m s LYS 25 CO 0.20 0.07 -0.19 0.71 -0.76 0.00 0.00 175.35 175.38 1j7m s TYR 26 N 0.98 2.75 -0.22 3.18 1.51 0.11 -4.95 117.35 120.71 1j7m s TYR 26 Ca 0.17 -1.43 0.22 0.00 -1.01 0.00 0.00 57.07 55.02 1j7m s TYR 26 Cb -0.14 -1.89 -0.32 0.00 -0.11 0.00 0.00 41.96 39.50 1j7m s TYR 26 CO 0.06 -0.69 0.56 0.39 -1.11 0.00 0.00 175.55 174.77 1j7m n GLU 27 N 4.37 0.53 -2.85 -0.62 1.02 -1.26 0.40 120.64 122.23 1j7m n GLU 27 Ca -0.20 -0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 56.68 1j7m n GLU 27 Cb 0.51 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.11 1.25 -4.66 1.62 3.41 -1.26 -4.83 113.62 107.04 1j7m n SER 28 Ca -0.02 -1.76 -0.29 0.00 -0.26 0.00 0.00 58.87 56.53 1j7m n SER 28 Cb 0.52 0.33 0.17 0.00 -0.26 0.00 0.00 64.21 64.97 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 -2.86 0.00 -0.10 0.00 -1.32 0.15 -4.94 115.64 106.56 1j7m s THR 30 Ca 0.65 -1.71 0.15 0.00 -1.21 0.00 0.00 61.69 59.57 1j7m s THR 30 Cb -0.20 -2.36 0.22 0.00 -1.51 0.00 0.00 72.50 68.66 1j7m s THR 30 CO 0.58 0.00 1.11 -1.54 -2.21 0.00 0.00 174.62 172.56 1j7m n SER 31 N -0.34 2.05 -4.73 8.08 3.41 -1.26 0.85 113.62 121.69 1j7m n SER 31 Ca 0.00 -2.83 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 1j7m n SER 31 Cb 0.64 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.22 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 2.39 -0.47 7.33 0.00 -1.26 -0.07 120.51 127.27 1j7m n ALA 32 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1j7m n ALA 32 Cb 0.60 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 2.62 1.76 0.76 0.00 0.00 -1.26 -4.73 105.19 104.35 1j7m n GLY 33 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.16 -2.26 1.61 1.74 -0.48 -5.01 116.66 110.41 1j7m n ARG 34 Ca 0.00 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.99 1j7m n ARG 34 Cb 0.00 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 30.65 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 -3.71 -4.49 0.00 0.55 3.41 0.90 -4.87 113.62 105.41 1j7m n SER 35 Ca -0.06 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1j7m n SER 35 Cb 0.24 -3.83 0.00 0.00 -0.26 0.00 0.00 64.21 60.35 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 -1.68 0.00 0.00 4.04 5.68 -1.26 -5.07 116.55 118.26 1j7m n ASP 36 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 1j7m n ASP 36 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 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 3.73 0.00 3.27 6.12 0.00 -1.26 -5.02 105.19 112.03 1j7m n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1j7m n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j7m n LYS 38 N -0.06 2.92 -1.95 1.61 5.02 -1.26 -4.96 118.16 119.49 1j7m n LYS 38 Ca 0.00 -2.94 -0.41 0.00 -2.02 0.00 0.00 58.31 52.93 1j7m n LYS 38 Cb 0.00 -3.42 -0.02 0.00 -0.02 0.00 0.00 35.03 31.57 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1j7m s MET 39 N 4.03 4.23 0.00 1.97 -1.94 -1.26 -4.85 119.30 121.47 1j7m s MET 39 Ca 0.53 2.37 0.00 0.00 -1.71 0.00 0.00 55.69 56.88 1j7m s MET 39 Cb 0.08 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1j7m s MET 39 CO 0.03 -0.49 0.00 -2.67 -0.01 0.00 0.00 175.02 171.88 1j7m n TRP 40 N 2.48 0.00 -3.56 -0.03 4.27 0.25 0.34 117.44 121.19 1j7m n TRP 40 Ca 0.08 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.60 1j7m n TRP 40 Cb 0.39 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.31 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 -1.92 3.08 -2.19 0.00 0.00 -1.26 -1.78 121.76 117.68 1j7m s ALA 42 Ca 0.02 0.50 0.22 0.00 0.00 0.00 0.00 51.96 52.71 1j7m s ALA 42 Cb -0.01 -3.19 0.50 0.00 0.00 0.00 0.00 23.12 20.42 1j7m s ALA 42 CO -0.03 0.05 1.44 0.25 0.00 0.00 0.00 175.76 177.47 1j7m n THR 43 N -0.25 0.71 -4.29 0.00 -2.24 -0.14 -1.62 114.28 106.45 1j7m n THR 43 Ca 0.05 -0.85 -0.18 0.00 -2.27 0.00 0.00 64.05 60.81 1j7m n THR 43 Cb 0.52 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.27 1.49 0.18 4.28 -4.23 -1.26 -4.29 115.64 110.55 1j7m s THR 44 Ca 0.42 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1j7m s THR 44 Cb 0.23 -1.82 0.10 0.00 1.34 0.00 0.00 72.50 72.35 1j7m s THR 44 CO 0.31 -0.55 1.79 0.00 -0.54 0.00 0.00 174.62 175.64 1j7m h ALA 45 N 2.97 0.82 -3.77 3.99 0.00 -1.90 -3.38 119.26 118.00 1j7m h ALA 45 Ca -0.39 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 1j7m h ALA 45 Cb 1.20 -0.25 -0.38 0.00 0.00 0.00 0.00 17.79 18.36 1j7m h ALA 45 CO 0.58 0.35 -0.76 1.21 0.00 0.00 0.00 179.25 180.63 1j7m s ASN 46 N -5.98 4.61 0.15 0.00 3.84 -1.26 -2.84 114.94 113.46 1j7m s ASN 46 Ca -0.13 -1.69 -0.08 0.00 0.21 0.00 0.00 52.86 51.17 1j7m s ASN 46 Cb 0.13 -1.59 -0.01 0.00 -0.55 0.00 0.00 41.25 39.23 1j7m s ASN 46 CO 0.78 -0.27 1.43 0.22 -2.79 0.00 0.00 177.10 176.48 1j7m h TYR 47 N 7.73 0.93 -1.14 0.43 5.03 -1.61 -3.05 116.97 125.29 1j7m h TYR 47 Ca -0.13 -0.34 0.34 0.00 2.58 0.00 0.00 58.73 61.18 1j7m h TYR 47 Cb 1.03 -0.17 -0.12 0.00 1.55 0.00 0.00 36.73 39.03 1j7m h TYR 47 CO 0.57 1.13 0.73 -0.44 -1.32 0.00 0.00 178.16 178.83 1j7m h ASP 48 N 0.55 0.38 0.00 -2.11 3.32 -1.92 0.63 116.42 117.27 1j7m h ASP 48 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1j7m h ASP 48 Cb 1.17 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1j7m h ASP 48 CO 0.12 -0.06 -0.34 0.47 -1.72 0.00 0.00 179.24 177.72 1j7m n ASP 49 N -4.72 1.14 0.21 6.45 9.92 -1.21 -4.59 116.55 123.75 1j7m n ASP 49 Ca 0.31 0.47 0.14 0.00 -0.53 0.00 0.00 54.79 55.18 1j7m n ASP 49 Cb 1.11 -0.73 0.42 0.00 -0.64 0.00 0.00 41.12 41.29 1j7m n ASP 49 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1j7m h ASP 50 N -0.63 0.00 -6.89 -2.24 5.19 -1.48 -3.48 116.42 106.89 1j7m h ASP 50 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 1j7m h ASP 50 Cb 0.34 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.78 1j7m h ASP 50 CO 0.00 0.00 -0.74 0.54 -3.12 0.00 0.00 179.24 175.92 1j7m n ARG 51 N -2.88 -0.61 -3.94 3.56 1.74 0.22 -4.93 116.66 109.81 1j7m n ARG 51 Ca 0.03 -0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.72 1j7m n ARG 51 Cb 0.40 -1.95 -0.14 0.00 -1.02 0.00 0.00 32.46 29.75 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 -6.63 2.96 0.35 5.56 1.02 -1.26 -5.07 119.74 116.67 1j7m s LYS 52 Ca 0.23 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1j7m s LYS 52 Cb -0.13 -3.00 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1j7m s LYS 52 CO 0.73 -0.36 0.03 1.67 -0.92 0.00 0.00 175.35 176.50 1j7m s TRP 53 N 1.36 2.14 -0.19 3.18 1.48 -1.26 -0.96 118.94 124.69 1j7m s TRP 53 Ca 0.02 -0.84 -0.29 0.00 -1.06 0.00 0.00 56.10 53.93 1j7m s TRP 53 Cb -0.16 -1.43 0.12 0.00 -1.16 0.00 0.00 33.47 30.84 1j7m s TRP 53 CO -0.04 0.18 0.97 0.20 -4.06 0.00 0.00 176.95 174.20 1j7m s GLY 54 N -3.55 -0.27 0.98 3.67 0.00 -0.73 -1.45 107.32 105.96 1j7m s GLY 54 Ca 0.35 2.16 -0.11 0.00 0.00 0.00 0.00 44.72 47.13 1j7m s GLY 54 CO 0.16 1.29 1.10 -1.36 0.00 0.00 0.00 173.10 174.29 1j7m s PHE 55 N -0.67 1.66 0.25 1.90 0.08 0.31 0.17 117.98 121.68 1j7m s PHE 55 Ca -0.01 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.29 1j7m s PHE 55 Cb -0.02 -3.23 -0.09 0.00 -0.57 0.00 0.00 43.02 39.11 1j7m s PHE 55 CO 0.00 -3.04 1.04 0.00 -0.10 0.00 0.00 175.22 173.13 1j7m n PRO 57 N 1.48 2.92 -1.57 0.00 -0.04 -1.24 -4.68 135.00 131.87 1j7m n PRO 57 Ca -0.01 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1j7m n PRO 57 Cb 0.46 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 3.07 0.00 3.54 -0.08 -1.26 -4.93 116.55 116.90 1j7m n ASP 58 Ca 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1j7m n ASP 58 Cb 0.00 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.00 1j7m n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j7m n GLN 59 N 8.28 3.75 0.00 -0.67 6.02 -1.26 -5.13 117.38 128.38 1j7m n GLN 59 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1j7m n GLN 59 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46