#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 2.81 -0.55 1.43 -0.11 -1.26 -4.86 118.94 116.40 1j7m s TRP 2 Ca 0.00 1.15 -0.32 0.00 1.22 0.00 0.00 56.10 58.15 1j7m s TRP 2 Cb 0.00 -3.13 -0.13 0.00 -1.50 0.00 0.00 33.47 28.71 1j7m s TRP 2 CO 0.00 -1.80 2.38 -1.33 -4.62 0.00 0.00 176.95 171.57 1j7m n MET 3 N -3.45 0.76 -1.74 5.86 2.81 -1.26 -4.83 117.12 115.26 1j7m n MET 3 Ca 0.07 0.13 -0.31 0.00 -1.81 0.00 0.00 57.70 55.78 1j7m n MET 3 Cb 0.56 -2.44 0.03 0.00 -0.71 0.00 0.00 33.22 30.66 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 8.98 5.78 0.43 7.83 0.01 -1.26 -2.56 113.70 132.92 1j7m s SER 4 Ca 1.14 1.55 0.00 0.00 1.31 0.00 0.00 55.95 59.94 1j7m s SER 4 Cb -0.80 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 62.93 1j7m s SER 4 CO 0.44 -1.17 0.66 0.42 0.41 0.00 0.00 173.24 173.99 1j7m s THR 5 N -3.06 4.21 0.10 1.44 -4.23 -0.90 -4.39 115.64 108.81 1j7m s THR 5 Ca 0.57 -0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1j7m s THR 5 Cb -0.13 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1j7m s THR 5 CO 0.53 -0.39 -0.00 0.54 -0.54 0.00 0.00 174.62 174.76 1j7m s VAL 6 N -2.52 0.31 0.00 2.29 0.11 -1.25 -4.50 120.40 114.84 1j7m s VAL 6 Ca 0.47 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1j7m s VAL 6 Cb -0.10 -1.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1j7m s VAL 6 CO 0.38 -0.73 0.00 0.61 -3.33 0.00 0.00 175.10 172.02 1j7m n GLY 7 N -0.03 1.20 7.00 6.54 0.00 -1.26 0.21 105.19 118.85 1j7m n GLY 7 Ca -0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 2.15 0.54 -0.02 0.00 -1.26 -4.45 105.19 102.15 1j7m n GLY 8 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.10 -0.04 0.01 1.61 2.04 -0.28 -4.92 115.26 113.59 1j7m n ASN 9 Ca 0.00 -1.27 0.11 0.00 -0.44 0.00 0.00 54.58 52.98 1j7m n ASN 9 Cb 0.00 -0.03 -0.01 0.00 -2.53 0.00 0.00 39.78 37.21 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 0.01 0.68 0.00 0.53 7.64 -1.17 -4.93 113.62 116.37 1j7m n SER 10 Ca -0.01 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1j7m n SER 10 Cb 0.56 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 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 1.43 2.13 0.70 0.23 0.00 -1.26 -3.93 105.19 104.49 1j7m n GLY 11 Ca 0.03 -0.39 -0.01 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 0.78 3.77 -0.02 0.00 -1.26 -4.66 105.19 103.80 1j7m n GLY 12 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.97 0.25 4.61 0.00 -1.25 -3.99 121.76 124.35 1j7m s ALA 13 Ca 0.03 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1j7m s ALA 13 Cb 0.04 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 1j7m s ALA 13 CO -0.02 -0.67 1.02 -1.25 0.00 0.00 0.00 175.76 174.85 1j7m s PRO 14 N -2.70 4.75 -0.02 0.00 0.04 -1.26 -2.11 135.00 133.70 1j7m s PRO 14 Ca 0.64 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 1j7m s PRO 14 Cb -0.29 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1j7m s PRO 14 CO 0.35 0.36 1.39 0.00 0.04 0.00 0.00 177.00 179.14 1j7m s VAL 16 N 2.56 5.02 -0.03 0.00 1.01 -0.52 -4.92 120.40 123.53 1j7m s VAL 16 Ca 0.63 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.79 1j7m s VAL 16 Cb -0.30 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1j7m s VAL 16 CO 0.25 0.09 -0.22 -0.36 0.00 0.00 0.00 175.10 174.87 1j7m s PHE 17 N 2.10 2.46 -0.00 5.22 0.08 -1.26 -2.74 117.98 123.85 1j7m s PHE 17 Ca 0.27 -0.34 -0.24 0.00 0.12 0.00 0.00 56.93 56.74 1j7m s PHE 17 Cb -0.16 -1.54 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1j7m s PHE 17 CO 0.09 0.05 0.71 -1.25 -0.10 0.00 0.00 175.22 174.73 1j7m s PRO 18 N -0.71 4.44 -0.17 0.24 0.05 -1.26 -5.06 135.00 132.54 1j7m s PRO 18 Ca 0.11 0.94 -0.07 0.00 0.05 0.00 0.00 61.00 62.02 1j7m s PRO 18 Cb -0.10 -3.38 -0.04 0.00 0.05 0.00 0.00 34.50 31.02 1j7m s PRO 18 CO -0.00 0.23 0.09 -0.59 0.05 0.00 0.00 177.00 176.78 1j7m s PHE 19 N 0.19 3.35 -0.18 0.56 -0.12 0.46 -4.73 117.98 117.50 1j7m s PHE 19 Ca 0.37 0.23 -0.15 0.00 -0.05 0.00 0.00 56.93 57.33 1j7m s PHE 19 Cb -0.19 -2.05 -0.04 0.00 -0.63 0.00 0.00 43.02 40.11 1j7m s PHE 19 CO 0.20 0.32 0.34 0.99 -0.05 0.00 0.00 175.22 177.03 1j7m s THR 20 N -0.00 5.25 0.03 -4.49 2.01 -0.88 0.92 115.64 118.48 1j7m s THR 20 Ca 0.07 0.62 0.06 0.00 0.31 0.00 0.00 61.69 62.75 1j7m s THR 20 Cb -0.12 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1j7m s THR 20 CO 0.00 0.31 -0.17 0.12 -0.69 0.00 0.00 174.62 174.19 1j7m s PHE 21 N 0.94 1.53 -0.49 4.92 5.36 0.33 -2.02 117.98 128.55 1j7m s PHE 21 Ca 0.17 -0.35 -0.06 0.00 -0.96 0.00 0.00 56.93 55.73 1j7m s PHE 21 Cb -0.14 -0.92 0.06 0.00 -0.34 0.00 0.00 43.02 41.68 1j7m s PHE 21 CO 0.06 0.05 0.16 1.28 -1.46 0.00 0.00 175.22 175.31 1j7m n LEU 22 N 2.02 -0.22 0.00 6.12 7.99 -1.26 0.87 117.00 132.52 1j7m n LEU 22 Ca -0.17 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 1j7m n LEU 22 Cb 0.54 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1j7m n LEU 22 CO 0.23 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 1j7m n GLY 23 N -0.65 1.08 3.60 -0.72 0.00 -1.26 -5.05 105.19 102.19 1j7m n GLY 23 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.81 5.02 -0.14 1.61 0.01 0.25 -5.08 114.94 113.80 1j7m s ASN 24 Ca 0.00 0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 51.88 1j7m s ASN 24 Cb 0.00 -1.56 -0.01 0.00 0.41 0.00 0.00 41.25 40.09 1j7m s ASN 24 CO 0.00 0.29 1.08 -0.54 -1.51 0.00 0.00 177.10 176.42 1j7m s LYS 25 N -0.35 4.34 -0.35 -0.60 1.02 -1.26 -0.51 119.74 122.03 1j7m s LYS 25 Ca 0.06 1.46 -0.08 0.00 0.02 0.00 0.00 55.97 57.44 1j7m s LYS 25 Cb -0.12 -3.60 0.03 0.00 -0.52 0.00 0.00 37.83 33.62 1j7m s LYS 25 CO 0.02 -0.48 0.14 0.71 -0.92 0.00 0.00 175.35 174.82 1j7m s TYR 26 N 2.58 3.24 -0.25 3.18 2.02 0.26 -4.91 117.35 123.48 1j7m s TYR 26 Ca 0.49 -1.20 0.20 0.00 -0.37 0.00 0.00 57.07 56.19 1j7m s TYR 26 Cb -0.19 -2.33 0.06 0.00 -0.40 0.00 0.00 41.96 39.10 1j7m s TYR 26 CO 0.15 -0.68 1.19 0.93 -1.57 0.00 0.00 175.55 175.56 1j7m h GLU 27 N 8.30 0.00 0.00 -0.62 5.08 -1.92 0.13 114.58 125.55 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 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 1j7m h GLU 27 CO 0.62 0.13 -0.26 -1.13 -1.00 0.00 0.00 179.01 177.38 1j7m n SER 28 N -2.90 1.80 -4.68 1.42 3.41 -1.26 -4.84 113.62 106.57 1j7m n SER 28 Ca -0.01 -2.19 -0.30 0.00 -0.26 0.00 0.00 58.87 56.11 1j7m n SER 28 Cb 0.63 0.41 0.15 0.00 -0.26 0.00 0.00 64.21 65.14 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 -2.78 0.15 -0.03 0.00 -1.32 0.92 -4.92 115.64 107.67 1j7m s THR 30 Ca 0.65 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 59.17 1j7m s THR 30 Cb -0.20 -2.52 0.06 0.00 -1.51 0.00 0.00 72.50 68.33 1j7m s THR 30 CO 0.58 0.00 0.94 -1.54 -2.21 0.00 0.00 174.62 172.39 1j7m n SER 31 N -0.70 1.53 -4.77 8.08 3.41 -1.26 0.45 113.62 120.36 1j7m n SER 31 Ca 0.02 -2.04 -0.41 0.00 -0.26 0.00 0.00 58.87 56.18 1j7m n SER 31 Cb 0.65 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.13 3.63 0.00 7.33 0.00 -1.26 -1.93 121.76 128.40 1j7m s ALA 32 Ca 0.07 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1j7m s ALA 32 Cb 0.06 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1j7m s ALA 32 CO 0.01 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1j7m n GLY 33 N 1.08 2.98 3.71 0.00 0.00 -1.26 -4.99 105.19 106.70 1j7m n GLY 33 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1j7m n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j7m s ARG 34 N -0.01 3.09 0.00 1.61 0.52 -0.81 -4.99 118.95 118.36 1j7m s ARG 34 Ca 0.00 -0.36 0.11 0.00 -0.52 0.00 0.00 55.73 54.96 1j7m s ARG 34 Cb 0.00 -2.87 0.17 0.00 0.52 0.00 0.00 34.95 32.77 1j7m s ARG 34 CO 0.00 0.70 1.00 0.43 0.02 0.00 0.00 175.30 177.45 1j7m n SER 35 N 2.16 2.30 0.00 0.23 7.64 -1.26 -4.79 113.62 119.90 1j7m n SER 35 Ca -0.19 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1j7m n SER 35 Cb 0.54 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.62 0.00 0.00 6.43 5.68 -1.26 -5.07 116.55 122.94 1j7m n ASP 36 Ca 0.09 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1j7m n ASP 36 Cb 0.34 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 2.31 0.24 3.70 6.12 0.00 -1.26 -5.13 105.19 111.18 1j7m n GLY 37 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.13 0.33 1.61 3.01 -1.26 -4.97 119.74 122.59 1j7m s LYS 38 Ca 0.00 2.62 -0.14 0.00 -1.01 0.00 0.00 55.97 57.44 1j7m s LYS 38 Cb 0.00 -3.49 -0.08 0.00 -1.01 0.00 0.00 37.83 33.24 1j7m s LYS 38 CO 0.00 -0.83 0.73 -1.64 0.51 0.00 0.00 175.35 174.12 1j7m s MET 39 N 2.44 3.95 0.00 1.68 -1.94 -1.26 -4.82 119.30 119.36 1j7m s MET 39 Ca 0.80 0.61 0.00 0.00 -1.71 0.00 0.00 55.69 55.40 1j7m s MET 39 Cb -0.47 -2.43 0.00 0.00 2.01 0.00 0.00 34.83 33.94 1j7m s MET 39 CO 0.36 0.13 0.00 -2.67 -0.01 0.00 0.00 175.02 172.83 1j7m n TRP 40 N -0.53 0.00 -3.61 -0.03 4.27 0.17 -0.07 117.44 117.65 1j7m n TRP 40 Ca 0.03 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.50 1j7m n TRP 40 Cb 0.53 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 -0.04 2.61 -1.63 0.00 0.00 -1.26 -2.00 121.76 119.43 1j7m s ALA 42 Ca -0.02 0.50 0.19 0.00 0.00 0.00 0.00 51.96 52.63 1j7m s ALA 42 Cb -0.04 -3.28 0.55 0.00 0.00 0.00 0.00 23.12 20.35 1j7m s ALA 42 CO 0.02 -1.03 1.46 0.25 0.00 0.00 0.00 175.76 176.45 1j7m n THR 43 N -2.16 1.02 -4.17 0.00 -2.24 -0.99 -1.44 114.28 104.30 1j7m n THR 43 Ca 0.10 -1.01 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 1j7m n THR 43 Cb 0.52 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.02 0.90 0.37 4.28 -4.23 -1.26 -4.43 115.64 110.25 1j7m s THR 44 Ca 0.41 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1j7m s THR 44 Cb 0.22 -1.38 0.28 0.00 1.34 0.00 0.00 72.50 72.95 1j7m s THR 44 CO 0.28 -0.60 2.00 0.00 -0.54 0.00 0.00 174.62 175.77 1j7m h ALA 45 N 3.51 1.64 -3.50 3.99 0.00 -1.88 -3.38 119.26 119.64 1j7m h ALA 45 Ca -0.37 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 1j7m h ALA 45 Cb 1.19 -0.21 -0.37 0.00 0.00 0.00 0.00 17.79 18.39 1j7m h ALA 45 CO 0.54 0.30 -0.80 1.21 0.00 0.00 0.00 179.25 180.50 1j7m s ASN 46 N -6.43 3.53 0.15 0.00 3.84 -1.26 -2.08 114.94 112.68 1j7m s ASN 46 Ca -0.09 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.05 1j7m s ASN 46 Cb 0.18 -1.20 -0.09 0.00 -0.55 0.00 0.00 41.25 39.59 1j7m s ASN 46 CO 0.76 -0.18 1.34 0.22 -2.79 0.00 0.00 177.10 176.45 1j7m h TYR 47 N 7.97 0.11 -0.56 0.43 3.20 -1.58 -3.17 116.97 123.37 1j7m h TYR 47 Ca -0.24 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.60 1j7m h TYR 47 Cb 1.09 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1j7m h TYR 47 CO 0.50 0.96 0.37 -0.44 -1.64 0.00 0.00 178.16 177.92 1j7m h ASP 48 N 0.03 0.54 0.03 -2.11 3.32 -1.94 0.46 116.42 116.74 1j7m h ASP 48 Ca -0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1j7m h ASP 48 Cb 1.64 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.06 1j7m h ASP 48 CO 0.13 0.37 -0.01 0.44 -1.72 0.00 0.00 179.24 178.45 1j7m h ASP 49 N 0.63 -0.03 0.09 6.45 3.32 -1.91 -3.40 116.42 121.59 1j7m h ASP 49 Ca 0.23 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.09 1j7m h ASP 49 Cb 0.11 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1j7m h ASP 49 CO -0.06 0.25 -0.69 0.44 -1.72 0.00 0.00 179.24 177.45 1j7m h ASP 50 N -0.57 0.63 -6.12 6.45 5.19 -1.59 -3.48 116.42 116.94 1j7m h ASP 50 Ca -0.00 -0.40 -0.43 0.00 -0.62 0.00 0.00 57.03 55.58 1j7m h ASP 50 Cb 0.03 -0.19 0.04 0.00 0.18 0.00 0.00 39.33 39.38 1j7m h ASP 50 CO 0.01 1.14 -0.78 0.54 -3.12 0.00 0.00 179.24 177.02 1j7m n ARG 51 N -3.89 -5.56 -4.07 3.56 5.12 0.16 -4.98 116.66 107.00 1j7m n ARG 51 Ca -0.05 0.65 -0.34 0.00 -1.93 0.00 0.00 57.85 56.18 1j7m n ARG 51 Cb 0.69 -5.41 -0.15 0.00 -1.16 0.00 0.00 32.46 26.43 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 -6.22 3.15 0.31 5.56 1.02 -1.26 -5.09 119.74 117.21 1j7m s LYS 52 Ca 0.31 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1j7m s LYS 52 Cb -0.15 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1j7m s LYS 52 CO 0.81 -0.19 0.11 1.67 -0.92 0.00 0.00 175.35 176.82 1j7m s TRP 53 N 1.33 1.69 -0.12 3.18 1.48 -1.26 -2.34 118.94 122.90 1j7m s TRP 53 Ca 0.05 -1.18 -0.29 0.00 -1.06 0.00 0.00 56.10 53.61 1j7m s TRP 53 Cb -0.14 -1.02 0.08 0.00 -1.16 0.00 0.00 33.47 31.23 1j7m s TRP 53 CO -0.08 -0.29 0.72 0.20 -4.06 0.00 0.00 176.95 173.44 1j7m s GLY 54 N -3.41 -0.53 1.02 3.67 0.00 -0.84 -1.13 107.32 106.09 1j7m s GLY 54 Ca 0.35 1.58 -0.12 0.00 0.00 0.00 0.00 44.72 46.53 1j7m s GLY 54 CO 0.15 1.18 0.97 0.69 0.00 0.00 0.00 173.10 176.09 1j7m n PHE 55 N 1.36 -0.20 -1.84 1.90 3.72 0.58 0.75 117.46 123.73 1j7m n PHE 55 Ca -0.17 0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1j7m n PHE 55 Cb 0.57 -1.86 -0.02 0.00 -0.94 0.00 0.00 39.48 37.23 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 2.47 2.88 -1.53 0.00 -0.04 -1.26 -4.74 135.00 132.77 1j7m n PRO 57 Ca 0.09 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.10 1j7m n PRO 57 Cb 0.38 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 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 2.61 -4.28 3.54 -0.08 -1.26 -4.91 116.55 112.17 1j7m n ASP 58 Ca 0.00 0.17 -0.44 0.00 -1.51 0.00 0.00 54.79 53.01 1j7m n ASP 58 Cb 0.00 -1.43 -0.05 0.00 2.34 0.00 0.00 41.12 41.98 1j7m n ASP 58 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1j7m s GLN 59 N 6.69 3.09 0.00 -0.67 -0.21 -1.26 -5.18 119.66 122.11 1j7m s GLN 59 Ca 1.05 -2.10 0.27 0.00 0.02 0.00 0.00 55.36 54.60 1j7m s GLN 59 Cb -0.53 -4.22 0.76 0.00 1.00 0.00 0.00 33.01 30.01 1j7m s GLN 59 CO 0.39 -1.27 1.58 0.41 -2.12 0.00 0.00 175.29 174.28