#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 -0.06 -0.40 1.43 -0.00 -1.26 -4.99 118.94 113.66 1j7m s TRP 2 Ca 0.00 -0.82 0.05 0.00 -0.00 0.00 0.00 56.10 55.33 1j7m s TRP 2 Cb 0.00 -0.58 0.45 0.00 -0.00 0.00 0.00 33.47 33.33 1j7m s TRP 2 CO 0.00 -0.91 1.35 0.00 -0.00 0.00 0.00 176.95 177.39 1j7m n MET 3 N 4.61 3.40 -0.94 5.86 0.00 -1.26 -4.55 117.12 124.24 1j7m n MET 3 Ca 0.06 -4.05 -0.12 0.00 0.00 0.00 0.00 57.70 53.58 1j7m n MET 3 Cb 0.43 -2.28 0.08 0.00 0.00 0.00 0.00 33.22 31.46 1j7m n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1j7m n SER 4 N -0.70 0.14 -4.94 3.17 7.64 -1.26 -3.36 113.62 114.30 1j7m n SER 4 Ca 0.47 -1.26 -0.24 0.00 1.01 0.00 0.00 58.87 58.85 1j7m n SER 4 Cb 0.84 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 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 -2.11 5.11 0.00 0.44 -4.23 -0.74 -3.35 115.64 110.76 1j7m s THR 5 Ca 0.33 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1j7m s THR 5 Cb -0.01 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1j7m s THR 5 CO 0.23 -0.55 0.65 0.52 -0.54 0.00 0.00 174.62 174.93 1j7m n VAL 6 N -1.75 0.42 -2.20 2.29 0.31 -0.99 -4.10 118.33 112.31 1j7m n VAL 6 Ca -0.05 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1j7m n VAL 6 Cb 0.56 0.91 0.00 0.00 -0.91 0.00 0.00 33.84 34.40 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 -0.21 3.42 0.42 2.92 0.00 -1.26 -4.61 105.19 105.86 1j7m n GLY 7 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.27 0.00 -0.02 0.00 -1.26 -3.32 105.19 98.33 1j7m n GLY 8 Ca 0.00 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.97 0.00 -0.06 1.61 2.04 -1.21 -3.46 115.26 111.22 1j7m n ASN 9 Ca -0.01 0.20 -0.09 0.00 -0.44 0.00 0.00 54.58 54.23 1j7m n ASN 9 Cb 0.19 -0.38 -0.08 0.00 -2.53 0.00 0.00 39.78 36.98 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 -5.53 0.53 0.02 -1.75 -3.50 113.55 103.32 1j7m h SER 10 Ca 0.00 -0.58 -0.07 0.00 -0.84 0.00 0.00 61.79 60.29 1j7m h SER 10 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1j7m h SER 10 CO 0.00 0.83 -0.58 0.61 -1.14 0.00 0.00 176.83 176.54 1j7m n GLY 11 N 1.67 -1.07 0.00 -3.77 0.00 -1.21 -4.47 105.19 96.34 1j7m n GLY 11 Ca -0.07 1.17 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.44 2.26 3.77 -0.02 0.00 -1.26 -5.04 105.19 104.46 1j7m n GLY 12 Ca 0.07 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.32 2.75 0.41 4.61 0.00 -1.26 -4.32 121.76 123.63 1j7m s ALA 13 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1j7m s ALA 13 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1j7m s ALA 13 CO 0.00 -0.84 0.88 -1.25 0.00 0.00 0.00 175.76 174.56 1j7m s PRO 14 N -3.12 4.09 0.22 0.00 0.04 -1.26 -1.80 135.00 133.17 1j7m s PRO 14 Ca 0.71 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 1j7m s PRO 14 Cb -0.27 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 1j7m s PRO 14 CO 0.31 -0.02 0.99 0.00 0.04 0.00 0.00 177.00 178.33 1j7m s VAL 16 N -0.86 4.52 0.04 0.00 1.01 0.36 -4.94 120.40 120.54 1j7m s VAL 16 Ca 0.44 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1j7m s VAL 16 Cb -0.27 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1j7m s VAL 16 CO 0.34 0.21 -0.07 -0.36 0.00 0.00 0.00 175.10 175.22 1j7m s PHE 17 N 1.63 2.86 0.07 5.22 0.40 -1.26 -3.08 117.98 123.81 1j7m s PHE 17 Ca 0.06 -0.07 -0.27 0.00 -0.60 0.00 0.00 56.93 56.04 1j7m s PHE 17 Cb -0.16 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 1j7m s PHE 17 CO 0.05 0.39 0.85 -1.25 0.70 0.00 0.00 175.22 175.97 1j7m s PRO 18 N -1.72 4.58 -0.18 0.24 0.05 -1.26 -5.04 135.00 131.67 1j7m s PRO 18 Ca 0.19 1.24 -0.05 0.00 0.05 0.00 0.00 61.00 62.43 1j7m s PRO 18 Cb -0.11 -3.37 -0.03 0.00 0.05 0.00 0.00 34.50 31.04 1j7m s PRO 18 CO 0.10 0.24 -0.01 -0.59 0.05 0.00 0.00 177.00 176.79 1j7m s PHE 19 N 0.01 3.05 -0.16 0.56 -0.71 0.12 -4.67 117.98 116.19 1j7m s PHE 19 Ca 0.42 -0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 55.81 1j7m s PHE 19 Cb -0.22 -2.02 -0.04 0.00 -1.21 0.00 0.00 43.02 39.54 1j7m s PHE 19 CO 0.26 -0.10 0.50 0.99 -1.34 0.00 0.00 175.22 175.53 1j7m s THR 20 N 0.62 5.15 -0.05 -4.49 2.01 -1.09 0.87 115.64 118.66 1j7m s THR 20 Ca -0.01 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.00 1j7m s THR 20 Cb -0.14 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1j7m s THR 20 CO 0.02 0.25 -0.21 0.12 -0.69 0.00 0.00 174.62 174.12 1j7m s PHE 21 N 1.13 2.04 -1.25 4.92 5.36 0.15 -2.29 117.98 128.04 1j7m s PHE 21 Ca 0.25 -0.61 -0.06 0.00 -0.96 0.00 0.00 56.93 55.56 1j7m s PHE 21 Cb -0.15 -1.36 0.06 0.00 -0.34 0.00 0.00 43.02 41.23 1j7m s PHE 21 CO 0.10 -0.20 0.14 1.28 -1.46 0.00 0.00 175.22 175.08 1j7m n LEU 22 N 3.08 -0.69 0.00 6.12 7.99 -1.26 0.15 117.00 132.39 1j7m n LEU 22 Ca -0.18 -0.96 0.00 0.00 -0.01 0.00 0.00 56.01 54.86 1j7m n LEU 22 Cb 0.52 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.63 1j7m n LEU 22 CO 0.25 0.27 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1j7m n GLY 23 N -1.81 3.42 3.47 -0.72 0.00 -1.26 -5.06 105.19 103.23 1j7m n GLY 23 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.87 4.34 -0.10 1.61 0.01 0.12 -5.09 114.94 114.97 1j7m s ASN 24 Ca 0.00 -0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.67 1j7m s ASN 24 Cb 0.00 -1.41 -0.02 0.00 0.41 0.00 0.00 41.25 40.24 1j7m s ASN 24 CO 0.00 0.25 1.05 -0.54 -1.51 0.00 0.00 177.10 176.34 1j7m s LYS 25 N -0.11 4.41 -0.21 -0.60 1.02 -1.26 0.30 119.74 123.29 1j7m s LYS 25 Ca -0.00 1.45 -0.04 0.00 0.02 0.00 0.00 55.97 57.40 1j7m s LYS 25 Cb -0.13 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1j7m s LYS 25 CO 0.03 -0.35 -0.02 0.71 -0.92 0.00 0.00 175.35 174.81 1j7m s TYR 26 N 2.07 3.00 -0.98 3.18 2.02 0.25 -4.91 117.35 121.98 1j7m s TYR 26 Ca 0.50 -0.63 0.20 0.00 -0.37 0.00 0.00 57.07 56.77 1j7m s TYR 26 Cb -0.20 -2.08 -0.22 0.00 -0.40 0.00 0.00 41.96 39.06 1j7m s TYR 26 CO 0.19 -0.35 0.87 0.39 -1.57 0.00 0.00 175.55 175.08 1j7m n GLU 27 N 4.43 0.22 -4.42 -0.62 1.02 -1.26 0.12 120.64 120.13 1j7m n GLU 27 Ca -0.17 -0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.75 1j7m n GLU 27 Cb 0.51 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1j7m n GLU 27 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j7m s SER 28 N -2.93 2.07 0.89 1.62 1.04 -1.26 -4.89 113.70 110.24 1j7m s SER 28 Ca 0.08 -1.46 -0.10 0.00 0.48 0.00 0.00 55.95 54.94 1j7m s SER 28 Cb 0.16 0.15 0.13 0.00 0.10 0.00 0.00 66.02 66.56 1j7m s SER 28 CO 0.84 -0.74 1.12 0.00 0.98 0.00 0.00 173.24 175.44 1j7m s THR 30 N -2.73 0.10 -0.09 0.00 -1.32 0.16 -4.94 115.64 106.82 1j7m s THR 30 Ca 0.65 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 59.26 1j7m s THR 30 Cb -0.21 -2.51 0.23 0.00 -1.51 0.00 0.00 72.50 68.50 1j7m s THR 30 CO 0.58 0.00 1.12 -1.54 -2.21 0.00 0.00 174.62 172.56 1j7m n SER 31 N -0.85 1.47 -4.77 8.08 3.41 -1.26 0.84 113.62 120.54 1j7m n SER 31 Ca 0.03 -2.79 -0.41 0.00 -0.26 0.00 0.00 58.87 55.44 1j7m n SER 31 Cb 0.65 -0.36 -0.01 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 s ALA 32 N -1.86 3.61 0.00 7.33 0.00 -1.26 -2.08 121.76 127.50 1j7m s ALA 32 Ca 0.23 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1j7m s ALA 32 Cb 0.22 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1j7m s ALA 32 CO -0.01 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1j7m n GLY 33 N 0.90 1.67 3.85 0.00 0.00 -1.26 -4.98 105.19 105.36 1j7m n GLY 33 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.10 3.11 0.00 1.61 0.52 -0.88 -5.00 118.95 118.20 1j7m s ARG 34 Ca 0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1j7m s ARG 34 Cb 0.00 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1j7m s ARG 34 CO 0.00 0.54 0.52 0.45 0.02 0.00 0.00 175.30 176.83 1j7m n SER 35 N -0.08 0.96 0.00 0.23 2.88 -1.26 -4.88 113.62 111.48 1j7m n SER 35 Ca -0.08 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 1j7m n SER 35 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.12 0.00 0.00 -3.46 5.68 -1.26 -5.05 116.55 112.34 1j7m n ASP 36 Ca 0.00 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1j7m n ASP 36 Cb 0.15 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 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 2.26 0.09 3.69 6.12 0.00 -1.26 -5.13 105.19 110.97 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 0.54 0.00 0.00 0.00 173.32 173.86 1j7m s LYS 38 N 0.00 4.14 0.14 1.61 3.01 -1.26 -4.97 119.74 122.41 1j7m s LYS 38 Ca 0.00 2.56 -0.16 0.00 -1.01 0.00 0.00 55.97 57.36 1j7m s LYS 38 Cb 0.00 -3.53 -0.07 0.00 -1.01 0.00 0.00 37.83 33.22 1j7m s LYS 38 CO 0.00 -0.82 0.58 -1.64 0.51 0.00 0.00 175.35 173.98 1j7m s MET 39 N 2.53 4.06 0.00 1.68 -1.94 -1.26 -4.75 119.30 119.62 1j7m s MET 39 Ca 0.79 0.59 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 1j7m s MET 39 Cb -0.46 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.40 1j7m s MET 39 CO 0.35 0.50 0.00 -2.67 -0.01 0.00 0.00 175.02 173.19 1j7m n TRP 40 N 0.97 0.00 -3.58 -0.03 4.27 0.25 0.03 117.44 119.34 1j7m n TRP 40 Ca -0.06 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.45 1j7m n TRP 40 Cb 0.51 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.41 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 -1.14 2.93 -2.08 0.00 0.00 -1.26 -1.42 121.76 118.79 1j7m s ALA 42 Ca -0.01 0.55 0.19 0.00 0.00 0.00 0.00 51.96 52.70 1j7m s ALA 42 Cb -0.00 -3.22 0.54 0.00 0.00 0.00 0.00 23.12 20.43 1j7m s ALA 42 CO 0.01 -0.18 1.45 0.25 0.00 0.00 0.00 175.76 177.29 1j7m n THR 43 N -0.84 0.75 -4.14 0.00 -2.24 0.06 -0.49 114.28 107.38 1j7m n THR 43 Ca 0.08 -0.78 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 1j7m n THR 43 Cb 0.53 0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.25 0.91 0.35 4.28 -4.23 -1.26 -4.41 115.64 110.04 1j7m s THR 44 Ca 0.40 -1.29 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1j7m s THR 44 Cb 0.21 -0.98 0.29 0.00 1.34 0.00 0.00 72.50 73.36 1j7m s THR 44 CO 0.28 -0.33 1.97 0.00 -0.54 0.00 0.00 174.62 176.00 1j7m h ALA 45 N 4.23 1.65 -3.61 3.99 0.00 -1.85 -3.37 119.26 120.30 1j7m h ALA 45 Ca -0.39 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 53.86 1j7m h ALA 45 Cb 1.19 -0.21 -0.37 0.00 0.00 0.00 0.00 17.79 18.40 1j7m h ALA 45 CO 0.42 0.25 -0.80 1.21 0.00 0.00 0.00 179.25 180.33 1j7m s ASN 46 N -6.25 3.85 0.08 0.00 3.84 -1.26 -2.68 114.94 112.53 1j7m s ASN 46 Ca -0.10 -1.12 -0.12 0.00 0.21 0.00 0.00 52.86 51.73 1j7m s ASN 46 Cb 0.19 -1.33 -0.21 0.00 -0.55 0.00 0.00 41.25 39.35 1j7m s ASN 46 CO 0.77 -0.18 1.21 0.22 -2.79 0.00 0.00 177.10 176.33 1j7m h TYR 47 N 7.90 0.95 -1.15 0.43 3.20 -1.62 -3.29 116.97 123.40 1j7m h TYR 47 Ca -0.23 -0.53 0.33 0.00 3.14 0.00 0.00 58.73 61.45 1j7m h TYR 47 Cb 1.07 -0.10 -0.10 0.00 1.54 0.00 0.00 36.73 39.13 1j7m h TYR 47 CO 0.54 1.36 0.74 -0.44 -1.64 0.00 0.00 178.16 178.73 1j7m h ASP 48 N 0.35 0.35 0.00 -2.11 5.19 -1.93 0.45 116.42 118.71 1j7m h ASP 48 Ca -0.13 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1j7m h ASP 48 Cb 1.70 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.26 1j7m h ASP 48 CO 0.20 -0.02 0.00 0.47 -3.12 0.00 0.00 179.24 176.77 1j7m n ASP 49 N -4.63 0.00 0.29 6.45 8.00 -1.24 -4.55 116.55 120.86 1j7m n ASP 49 Ca 0.30 0.09 0.18 0.00 0.71 0.00 0.00 54.79 56.06 1j7m n ASP 49 Cb 1.10 -0.10 0.78 0.00 -0.02 0.00 0.00 41.12 42.88 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 -6.85 -2.24 5.19 -1.62 -3.47 116.42 107.43 1j7m h ASP 50 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1j7m h ASP 50 Cb 0.00 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.37 1j7m h ASP 50 CO 0.00 0.03 -0.94 0.54 -3.12 0.00 0.00 179.24 175.75 1j7m n ARG 51 N -3.16 -1.76 -3.89 3.56 1.74 0.16 -4.94 116.66 108.37 1j7m n ARG 51 Ca -0.00 0.21 -0.35 0.00 -0.77 0.00 0.00 57.85 56.93 1j7m n ARG 51 Cb 0.26 -3.88 -0.14 0.00 -1.02 0.00 0.00 32.46 27.68 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 -7.06 3.24 0.41 5.56 1.02 -1.26 -5.01 119.74 116.64 1j7m s LYS 52 Ca 0.04 -0.72 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1j7m s LYS 52 Cb -0.02 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1j7m s LYS 52 CO 0.96 -0.28 0.11 1.67 -0.92 0.00 0.00 175.35 176.89 1j7m s TRP 53 N 1.46 1.81 -0.24 3.18 1.48 -1.26 -0.76 118.94 124.61 1j7m s TRP 53 Ca 0.04 -1.22 -0.33 0.00 -1.06 0.00 0.00 56.10 53.53 1j7m s TRP 53 Cb -0.15 -1.21 0.16 0.00 -1.16 0.00 0.00 33.47 31.11 1j7m s TRP 53 CO -0.02 -0.22 1.28 0.20 -4.06 0.00 0.00 176.95 174.12 1j7m s GLY 54 N -3.62 -0.11 0.86 3.67 0.00 -0.51 -3.29 107.32 104.32 1j7m s GLY 54 Ca 0.23 2.23 -0.11 0.00 0.00 0.00 0.00 44.72 47.07 1j7m s GLY 54 CO 0.14 0.85 1.11 -1.36 0.00 0.00 0.00 173.10 173.83 1j7m s PHE 55 N -1.61 2.15 0.27 1.90 0.08 -1.23 0.46 117.98 120.01 1j7m s PHE 55 Ca 0.08 1.58 -0.29 0.00 0.12 0.00 0.00 56.93 58.42 1j7m s PHE 55 Cb -0.01 -3.17 -0.09 0.00 -0.57 0.00 0.00 43.02 39.18 1j7m s PHE 55 CO -0.05 -2.33 1.04 0.00 -0.10 0.00 0.00 175.22 173.78 1j7m n PRO 57 N 1.20 2.45 -1.86 0.00 -0.04 -1.21 -4.61 135.00 130.93 1j7m n PRO 57 Ca -0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 1j7m n PRO 57 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.56 5.87 0.00 3.54 2.15 -1.26 -4.91 116.67 120.49 1j7m s ASP 58 Ca 0.00 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.64 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 -1.67 0.00 0.00 -0.17 0.00 0.00 175.17 173.33 1j7m n GLN 59 N 8.34 0.00 0.00 4.34 6.02 -1.26 -5.10 117.38 129.72 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 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46