#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 2.34 -1.06 7.33 -0.00 -1.26 -4.90 118.94 121.39 1j7m s TRP 2 Ca 0.00 0.61 -0.24 0.00 -0.00 0.00 0.00 56.10 56.47 1j7m s TRP 2 Cb 0.00 -4.33 -0.12 0.00 -0.00 0.00 0.00 33.47 29.02 1j7m s TRP 2 CO 0.00 -1.99 2.03 -1.64 -0.00 0.00 0.00 176.95 175.35 1j7m s MET 3 N 5.17 2.09 0.55 5.86 -1.94 -1.26 -4.93 119.30 124.84 1j7m s MET 3 Ca 0.59 -0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1j7m s MET 3 Cb -0.13 -5.10 -0.00 0.00 2.01 0.00 0.00 34.83 31.61 1j7m s MET 3 CO 0.30 -4.29 0.86 -1.12 -0.01 0.00 0.00 175.02 170.76 1j7m s SER 4 N 7.75 5.78 0.49 3.03 0.01 -1.26 -3.64 113.70 125.87 1j7m s SER 4 Ca 0.74 0.74 0.07 0.00 1.31 0.00 0.00 55.95 58.82 1j7m s SER 4 Cb -0.04 -1.84 0.02 0.00 0.21 0.00 0.00 66.02 64.37 1j7m s SER 4 CO 0.11 -0.92 0.44 0.42 0.41 0.00 0.00 173.24 173.71 1j7m s THR 5 N -2.90 2.17 0.13 1.44 -4.23 -1.20 -4.60 115.64 106.45 1j7m s THR 5 Ca 0.52 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1j7m s THR 5 Cb -0.10 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1j7m s THR 5 CO 0.45 0.00 0.04 0.54 -0.54 0.00 0.00 174.62 175.11 1j7m s VAL 6 N -2.62 0.19 0.00 2.29 0.11 -1.24 -4.36 120.40 114.76 1j7m s VAL 6 Ca 0.44 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 1j7m s VAL 6 Cb -0.03 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 1j7m s VAL 6 CO 0.27 -0.53 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 1j7m n GLY 7 N -0.09 0.72 7.00 6.54 0.00 -1.26 0.22 105.19 118.32 1j7m n GLY 7 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.06 0.00 -0.02 0.00 -1.26 -4.43 105.19 100.54 1j7m n GLY 8 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.19 0.00 -0.43 1.61 2.04 -0.46 -4.80 115.26 110.03 1j7m n ASN 9 Ca 0.00 -0.60 0.04 0.00 -0.44 0.00 0.00 54.58 53.59 1j7m n ASN 9 Cb 0.00 0.00 0.13 0.00 -2.53 0.00 0.00 39.78 37.38 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 0.00 1.26 0.00 0.53 7.64 -1.02 -4.98 113.62 117.05 1j7m n SER 10 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1j7m n SER 10 Cb 0.15 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.89 1.52 1.86 0.23 0.00 -1.26 -2.99 105.19 105.43 1j7m n GLY 11 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 3.79 3.77 -0.02 0.00 -1.26 -4.10 105.19 107.37 1j7m n GLY 12 Ca 0.00 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.90 3.22 0.45 4.61 0.00 -1.16 -3.25 121.76 122.73 1j7m s ALA 13 Ca 0.38 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 1j7m s ALA 13 Cb 0.37 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.13 1j7m s ALA 13 CO -0.05 -0.16 1.28 -2.14 0.00 0.00 0.00 175.76 174.70 1j7m s PRO 14 N -2.04 3.73 0.48 0.00 0.02 -1.24 -3.64 135.00 132.32 1j7m s PRO 14 Ca 0.52 2.07 -0.21 0.00 0.02 0.00 0.00 61.00 63.40 1j7m s PRO 14 Cb -0.26 -2.55 -0.08 0.00 0.02 0.00 0.00 34.50 31.64 1j7m s PRO 14 CO 0.32 -0.66 1.10 0.00 -0.33 0.00 0.00 177.00 177.43 1j7m s VAL 16 N -1.76 3.91 0.00 0.00 1.01 0.36 -4.95 120.40 118.97 1j7m s VAL 16 Ca 0.66 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1j7m s VAL 16 Cb -0.23 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1j7m s VAL 16 CO 0.27 -0.21 -0.15 -0.36 0.00 0.00 0.00 175.10 174.65 1j7m s PHE 17 N 1.42 2.66 0.05 5.22 0.08 -1.26 -2.83 117.98 123.32 1j7m s PHE 17 Ca -0.01 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.63 1j7m s PHE 17 Cb -0.20 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.65 1j7m s PHE 17 CO 0.03 0.24 0.65 -1.25 -0.10 0.00 0.00 175.22 174.79 1j7m s PRO 18 N -1.17 4.36 0.05 0.24 0.05 -1.26 -5.08 135.00 132.18 1j7m s PRO 18 Ca 0.14 0.87 0.01 0.00 0.05 0.00 0.00 61.00 62.06 1j7m s PRO 18 Cb -0.11 -3.31 0.01 0.00 0.05 0.00 0.00 34.50 31.14 1j7m s PRO 18 CO 0.04 0.45 0.06 1.97 0.05 0.00 0.00 177.00 179.57 1j7m n PHE 19 N 2.32 -2.73 -3.70 0.56 -1.74 0.24 -4.83 117.46 107.58 1j7m n PHE 19 Ca -0.07 -0.17 -0.12 0.00 -0.56 0.00 0.00 57.45 56.54 1j7m n PHE 19 Cb 0.50 -0.04 -0.12 0.00 1.52 0.00 0.00 39.48 41.34 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 0.58 -0.15 0.00 1.97 2.01 -1.18 0.67 115.64 119.55 1j7m s THR 20 Ca 0.04 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1j7m s THR 20 Cb -0.00 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1j7m s THR 20 CO 0.03 0.06 0.00 0.33 -0.69 0.00 0.00 174.62 174.35 1j7m n PHE 21 N 4.53 0.00 -0.14 4.92 7.35 0.28 -2.22 117.46 132.18 1j7m n PHE 21 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1j7m n PHE 21 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1j7m n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1j7m n LEU 22 N 0.00 0.00 0.00 -2.13 7.99 -1.26 -2.94 117.00 118.66 1j7m n LEU 22 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 56.01 55.51 1j7m n LEU 22 Cb 0.00 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1j7m n LEU 22 CO 0.00 -0.61 0.00 0.61 -1.51 0.00 0.00 177.39 175.88 1j7m n GLY 23 N 2.70 0.72 3.10 -0.72 0.00 -1.26 -5.05 105.19 104.68 1j7m n GLY 23 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.31 1.92 -0.06 1.61 0.01 -1.15 -5.11 114.94 109.84 1j7m s ASN 24 Ca 0.00 -0.31 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 1j7m s ASN 24 Cb 0.00 -0.52 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 1j7m s ASN 24 CO 0.00 0.13 1.05 -0.54 -1.51 0.00 0.00 177.10 176.23 1j7m s LYS 25 N 0.06 4.44 -0.34 -0.60 1.02 -1.26 -0.56 119.74 122.50 1j7m s LYS 25 Ca -0.03 1.48 -0.04 0.00 0.02 0.00 0.00 55.97 57.39 1j7m s LYS 25 Cb -0.11 -3.52 0.06 0.00 -0.52 0.00 0.00 37.83 33.75 1j7m s LYS 25 CO 0.02 -0.28 0.09 0.71 -0.92 0.00 0.00 175.35 174.97 1j7m s TYR 26 N 1.78 3.33 -0.32 3.18 2.02 0.21 -4.91 117.35 122.65 1j7m s TYR 26 Ca 0.51 -1.82 0.23 0.00 -0.37 0.00 0.00 57.07 55.62 1j7m s TYR 26 Cb -0.21 -2.44 0.14 0.00 -0.40 0.00 0.00 41.96 39.05 1j7m s TYR 26 CO 0.22 -0.82 1.27 0.93 -1.57 0.00 0.00 175.55 175.58 1j7m h GLU 27 N 8.10 0.00 0.00 -0.62 5.08 -1.92 0.72 114.58 125.95 1j7m h GLU 27 Ca -0.20 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.97 1j7m h GLU 27 Cb 1.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1j7m h GLU 27 CO 0.60 0.00 -0.15 -1.13 -1.00 0.00 0.00 179.01 177.33 1j7m n SER 28 N -2.84 1.57 -4.75 1.42 3.41 -1.26 -4.76 113.62 106.41 1j7m n SER 28 Ca 0.02 -1.69 -0.31 0.00 -0.26 0.00 0.00 58.87 56.63 1j7m n SER 28 Cb 0.54 0.24 0.10 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.31 -0.14 0.00 -1.32 -0.03 -4.90 115.64 106.70 1j7m s THR 30 Ca 0.62 -1.99 0.15 0.00 -1.21 0.00 0.00 61.69 59.26 1j7m s THR 30 Cb -0.18 -2.47 0.33 0.00 -1.51 0.00 0.00 72.50 68.66 1j7m s THR 30 CO 0.56 -0.10 1.17 -1.54 -2.21 0.00 0.00 174.62 172.50 1j7m n SER 31 N -0.33 1.83 -4.78 8.08 3.41 -1.26 0.75 113.62 121.33 1j7m n SER 31 Ca -0.00 -3.26 -0.36 0.00 -0.26 0.00 0.00 58.87 54.99 1j7m n SER 31 Cb 0.66 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.62 2.85 0.00 7.33 0.00 -1.26 -3.33 121.76 124.73 1j7m s ALA 32 Ca 0.32 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1j7m s ALA 32 Cb 0.30 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1j7m s ALA 32 CO -0.02 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.53 1j7m n GLY 33 N 0.21 1.65 0.56 0.00 0.00 -1.26 -4.98 105.19 101.37 1j7m n GLY 33 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.48 0.00 1.61 1.74 -1.21 -5.07 116.66 112.22 1j7m n ARG 34 Ca 0.00 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1j7m n ARG 34 Cb 0.00 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 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 -2.99 1.60 0.00 0.55 7.64 -1.26 -5.06 113.62 114.10 1j7m n SER 35 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1j7m n SER 35 Cb 0.09 0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.68 0.00 0.00 6.43 5.75 -1.26 -5.09 116.55 121.70 1j7m n ASP 36 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1j7m n ASP 36 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 3.78 1.00 3.76 6.12 0.00 -1.26 -5.13 105.19 113.46 1j7m n GLY 37 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.78 0.28 1.61 3.01 -1.26 -5.05 119.74 120.11 1j7m s LYS 38 Ca 0.00 0.80 0.11 0.00 -1.01 0.00 0.00 55.97 55.87 1j7m s LYS 38 Cb 0.00 -1.87 -0.05 0.00 -1.01 0.00 0.00 37.83 34.90 1j7m s LYS 38 CO 0.00 -1.87 -0.10 -1.64 0.51 0.00 0.00 175.35 172.24 1j7m s MET 39 N -5.02 1.96 0.00 1.68 -1.94 -1.26 -4.60 119.30 110.12 1j7m s MET 39 Ca 0.62 -1.63 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 1j7m s MET 39 Cb -0.16 -1.94 0.00 0.00 2.01 0.00 0.00 34.83 34.74 1j7m s MET 39 CO 0.56 0.33 0.00 -2.67 -0.01 0.00 0.00 175.02 173.22 1j7m n TRP 40 N -0.76 -0.31 -3.63 -0.03 4.27 0.23 -0.39 117.44 116.82 1j7m n TRP 40 Ca -0.05 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.40 1j7m n TRP 40 Cb 0.60 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.47 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 -0.63 3.17 -0.34 0.00 0.00 -1.26 -1.40 121.76 121.30 1j7m s ALA 42 Ca -0.07 0.43 0.15 0.00 0.00 0.00 0.00 51.96 52.47 1j7m s ALA 42 Cb -0.03 -3.13 0.81 0.00 0.00 0.00 0.00 23.12 20.77 1j7m s ALA 42 CO 0.05 0.18 1.73 0.25 0.00 0.00 0.00 175.76 177.97 1j7m n THR 43 N 0.10 2.67 -3.99 0.00 -2.24 -0.17 -0.49 114.28 110.16 1j7m n THR 43 Ca 0.03 -1.40 -0.09 0.00 -2.27 0.00 0.00 64.05 60.32 1j7m n THR 43 Cb 0.52 -0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.68 0.14 0.46 4.28 -4.23 -1.26 -4.63 115.64 107.72 1j7m s THR 44 Ca 0.54 -1.17 0.12 0.00 -1.18 0.00 0.00 61.69 60.00 1j7m s THR 44 Cb 0.41 -0.74 0.25 0.00 1.34 0.00 0.00 72.50 73.75 1j7m s THR 44 CO 0.17 -0.65 2.07 0.00 -0.54 0.00 0.00 174.62 175.67 1j7m h ALA 45 N 4.01 1.80 -3.22 3.99 0.00 -1.90 -3.39 119.26 120.56 1j7m h ALA 45 Ca -0.33 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.99 1j7m h ALA 45 Cb 1.19 -0.07 -0.37 0.00 0.00 0.00 0.00 17.79 18.53 1j7m h ALA 45 CO 0.50 0.16 -0.80 1.21 0.00 0.00 0.00 179.25 180.32 1j7m s ASN 46 N -6.90 2.40 0.06 0.00 3.84 -1.26 -3.08 114.94 110.00 1j7m s ASN 46 Ca -0.06 -0.42 0.02 0.00 0.21 0.00 0.00 52.86 52.61 1j7m s ASN 46 Cb 0.17 -0.88 -0.25 0.00 -0.55 0.00 0.00 41.25 39.73 1j7m s ASN 46 CO 0.70 -0.13 1.05 0.22 -2.79 0.00 0.00 177.10 176.14 1j7m h TYR 47 N 8.15 0.26 -0.99 0.43 3.20 -1.63 -3.31 116.97 123.08 1j7m h TYR 47 Ca -0.29 -0.19 0.17 0.00 3.14 0.00 0.00 58.73 61.57 1j7m h TYR 47 Cb 1.13 -0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.29 1j7m h TYR 47 CO 0.47 1.18 0.61 -0.44 -1.64 0.00 0.00 178.16 178.34 1j7m h ASP 48 N 0.04 0.76 0.00 -2.11 3.32 -1.88 0.24 116.42 116.78 1j7m h ASP 48 Ca -0.14 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1j7m h ASP 48 Cb 1.92 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1j7m h ASP 48 CO 0.15 0.32 0.00 0.47 -1.72 0.00 0.00 179.24 178.46 1j7m n ASP 49 N -4.68 0.00 0.26 6.45 8.00 -1.25 -4.47 116.55 120.85 1j7m n ASP 49 Ca 0.21 0.33 0.16 0.00 0.71 0.00 0.00 54.79 56.20 1j7m n ASP 49 Cb 0.53 -0.28 0.55 0.00 -0.02 0.00 0.00 41.12 41.90 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 0.00 0.00 -7.02 -2.24 3.32 -1.65 -3.47 116.42 105.36 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 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1j7m h ASP 50 CO 0.00 0.00 -1.00 0.54 -1.72 0.00 0.00 179.24 177.06 1j7m n ARG 51 N -3.05 -0.53 -4.01 3.56 1.74 0.83 -4.95 116.66 110.25 1j7m n ARG 51 Ca 0.02 0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 1j7m n ARG 51 Cb 0.36 -2.94 -0.15 0.00 -1.02 0.00 0.00 32.46 28.71 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 -7.46 3.26 0.28 5.56 1.02 -1.26 -5.05 119.74 116.09 1j7m s LYS 52 Ca 0.28 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.60 1j7m s LYS 52 Cb -0.16 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1j7m s LYS 52 CO 0.99 -0.18 0.10 1.67 -0.92 0.00 0.00 175.35 177.00 1j7m s TRP 53 N 1.37 1.64 -0.25 3.18 1.48 -1.26 -1.00 118.94 124.10 1j7m s TRP 53 Ca 0.05 -1.16 -0.26 0.00 -1.06 0.00 0.00 56.10 53.67 1j7m s TRP 53 Cb -0.14 -0.98 0.09 0.00 -1.16 0.00 0.00 33.47 31.28 1j7m s TRP 53 CO -0.06 -0.29 0.82 0.20 -4.06 0.00 0.00 176.95 173.57 1j7m s GLY 54 N -3.37 -0.41 0.98 3.67 0.00 -0.50 -1.35 107.32 106.34 1j7m s GLY 54 Ca 0.37 2.16 -0.12 0.00 0.00 0.00 0.00 44.72 47.12 1j7m s GLY 54 CO 0.14 1.66 0.81 0.69 0.00 0.00 0.00 173.10 176.41 1j7m n PHE 55 N 2.28 -0.34 -2.60 1.90 3.72 0.60 0.10 117.46 123.13 1j7m n PHE 55 Ca -0.14 0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 1j7m n PHE 55 Cb 0.56 -1.86 -0.03 0.00 -0.94 0.00 0.00 39.48 37.21 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 3.83 3.02 -1.52 0.00 -0.04 -1.26 -4.82 135.00 134.22 1j7m n PRO 57 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1j7m n PRO 57 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 2.17 -4.92 3.54 -0.08 -1.26 -4.93 116.55 111.07 1j7m n ASP 58 Ca 0.00 0.03 -0.26 0.00 -1.51 0.00 0.00 54.79 53.06 1j7m n ASP 58 Cb 0.00 -1.38 -0.01 0.00 2.34 0.00 0.00 41.12 42.07 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 7.30 3.53 0.00 -0.67 -0.21 -1.26 -5.20 119.66 123.14 1j7m s GLN 59 Ca 1.08 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1j7m s GLN 59 Cb -0.58 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 30.88 1j7m s GLN 59 CO 0.39 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.98