#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 3.09 -0.50 0.66 -2.14 -1.26 -5.01 118.94 113.77 1j7m s TRP 2 Ca 0.00 -0.23 -0.02 0.00 2.66 0.00 0.00 56.10 58.51 1j7m s TRP 2 Cb 0.00 -1.93 0.28 0.00 -3.10 0.00 0.00 33.47 28.72 1j7m s TRP 2 CO 0.00 0.05 2.14 -1.33 -2.66 0.00 0.00 176.95 175.15 1j7m n MET 3 N -1.57 2.28 -3.02 3.25 2.81 -1.26 -4.92 117.12 114.68 1j7m n MET 3 Ca -0.01 -2.44 -0.20 0.00 -1.81 0.00 0.00 57.70 53.24 1j7m n MET 3 Cb 0.58 -1.98 0.07 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.59 5.05 0.43 7.83 0.01 -1.26 -3.71 113.70 121.46 1j7m s SER 4 Ca 0.48 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 56.95 1j7m s SER 4 Cb 0.37 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.93 1j7m s SER 4 CO -0.08 -1.39 0.61 0.42 0.41 0.00 0.00 173.24 173.21 1j7m s THR 5 N -2.70 3.32 0.00 1.44 -4.23 -0.78 -4.65 115.64 108.04 1j7m s THR 5 Ca 0.62 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1j7m s THR 5 Cb -0.06 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1j7m s THR 5 CO 0.39 -0.08 0.00 0.52 -0.54 0.00 0.00 174.62 174.91 1j7m n VAL 6 N -1.94 0.00 0.00 2.29 0.31 0.04 -4.05 118.33 114.98 1j7m n VAL 6 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1j7m n VAL 6 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 2.70 1.61 5.06 2.92 0.00 -1.26 0.11 105.19 116.33 1j7m n GLY 7 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.75 0.00 -0.02 0.00 -1.26 -4.53 105.19 100.13 1j7m n GLY 8 Ca 0.00 -0.31 0.00 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 -2.12 0.67 0.33 1.61 6.94 -1.03 -4.79 115.26 116.87 1j7m n ASN 9 Ca 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 54.58 54.77 1j7m n ASN 9 Cb 0.00 0.09 1.14 0.00 -2.36 0.00 0.00 39.78 38.65 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1j7m h SER 10 N 0.00 0.00 0.00 0.53 0.02 -1.83 -3.48 113.55 108.80 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 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1j7m h SER 10 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1j7m n GLY 11 N -1.02 1.24 2.36 -3.77 0.00 -1.26 -4.17 105.19 98.57 1j7m n GLY 11 Ca -0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 6.11 3.83 -0.02 0.00 -1.26 -3.71 105.19 110.14 1j7m n GLY 12 Ca 0.00 -2.72 -0.34 0.00 0.00 0.00 0.00 46.02 42.96 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 -3.58 3.24 0.19 4.61 0.00 -1.26 -4.17 121.76 120.79 1j7m s ALA 13 Ca 0.49 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1j7m s ALA 13 Cb 0.41 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.49 1j7m s ALA 13 CO -0.13 0.25 1.51 -2.14 0.00 0.00 0.00 175.76 175.25 1j7m s PRO 14 N -2.76 4.24 0.25 0.00 0.02 -1.26 -1.86 135.00 133.63 1j7m s PRO 14 Ca 0.54 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 1j7m s PRO 14 Cb -0.12 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 1j7m s PRO 14 CO 0.17 -0.53 1.41 0.00 -0.33 0.00 0.00 177.00 177.73 1j7m s VAL 16 N -0.09 5.23 -0.00 0.00 1.01 0.41 -4.96 120.40 122.00 1j7m s VAL 16 Ca 0.58 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1j7m s VAL 16 Cb -0.41 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1j7m s VAL 16 CO 0.43 -0.14 -0.11 -0.36 0.00 0.00 0.00 175.10 174.92 1j7m s PHE 17 N 1.84 2.77 0.02 5.22 0.08 -1.26 -2.81 117.98 123.84 1j7m s PHE 17 Ca 0.08 -0.11 -0.24 0.00 0.12 0.00 0.00 56.93 56.78 1j7m s PHE 17 Cb -0.17 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 1j7m s PHE 17 CO 0.11 0.30 0.74 -1.25 -0.10 0.00 0.00 175.22 175.02 1j7m s PRO 18 N -1.23 4.46 -0.17 0.24 0.05 -1.26 -5.06 135.00 132.04 1j7m s PRO 18 Ca 0.15 1.00 -0.06 0.00 0.05 0.00 0.00 61.00 62.14 1j7m s PRO 18 Cb -0.11 -3.38 -0.04 0.00 0.05 0.00 0.00 34.50 31.03 1j7m s PRO 18 CO 0.05 0.24 0.03 -0.59 0.05 0.00 0.00 177.00 176.78 1j7m s PHE 19 N 0.13 3.18 -0.17 0.56 -0.12 0.27 -4.72 117.98 117.11 1j7m s PHE 19 Ca 0.38 -0.03 -0.14 0.00 -0.05 0.00 0.00 56.93 57.09 1j7m s PHE 19 Cb -0.20 -2.02 -0.04 0.00 -0.63 0.00 0.00 43.02 40.13 1j7m s PHE 19 CO 0.21 0.13 0.32 0.99 -0.05 0.00 0.00 175.22 176.82 1j7m s THR 20 N 0.26 5.28 0.04 -4.49 2.01 -0.95 0.58 115.64 118.35 1j7m s THR 20 Ca 0.02 0.58 0.04 0.00 0.31 0.00 0.00 61.69 62.64 1j7m s THR 20 Cb -0.13 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1j7m s THR 20 CO 0.01 0.35 -0.11 0.12 -0.69 0.00 0.00 174.62 174.30 1j7m s PHE 21 N 0.73 0.97 -1.36 4.92 5.36 0.19 -2.29 117.98 126.50 1j7m s PHE 21 Ca 0.17 -0.37 -0.17 0.00 -0.96 0.00 0.00 56.93 55.60 1j7m s PHE 21 Cb -0.14 -0.58 0.17 0.00 -0.34 0.00 0.00 43.02 42.14 1j7m s PHE 21 CO 0.05 0.00 0.43 1.28 -1.46 0.00 0.00 175.22 175.53 1j7m n LEU 22 N 1.85 -0.60 0.00 6.12 7.99 -1.26 0.85 117.00 131.95 1j7m n LEU 22 Ca -0.19 -0.78 0.00 0.00 -0.01 0.00 0.00 56.01 55.03 1j7m n LEU 22 Cb 0.55 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 1j7m n LEU 22 CO 0.22 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 1j7m n GLY 23 N -0.90 1.59 3.47 -0.72 0.00 -1.26 -5.03 105.19 102.34 1j7m n GLY 23 Ca 0.09 0.00 -0.33 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 -3.23 4.40 -0.15 1.61 0.01 0.25 -5.08 114.94 112.73 1j7m s ASN 24 Ca 0.00 -0.18 -0.29 0.00 -0.71 0.00 0.00 52.86 51.67 1j7m s ASN 24 Cb 0.00 -1.48 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 1j7m s ASN 24 CO 0.00 0.23 1.07 -0.54 -1.51 0.00 0.00 177.10 176.35 1j7m s LYS 25 N -0.02 4.33 -0.31 -0.60 1.02 -1.26 -0.63 119.74 122.27 1j7m s LYS 25 Ca -0.01 1.44 -0.08 0.00 0.02 0.00 0.00 55.97 57.33 1j7m s LYS 25 Cb -0.14 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1j7m s LYS 25 CO 0.03 -0.49 0.13 0.71 -0.92 0.00 0.00 175.35 174.81 1j7m s TYR 26 N 2.63 3.17 -0.53 3.18 2.02 0.19 -4.91 117.35 123.12 1j7m s TYR 26 Ca 0.48 -0.81 0.23 0.00 -0.37 0.00 0.00 57.07 56.60 1j7m s TYR 26 Cb -0.18 -2.32 0.04 0.00 -0.40 0.00 0.00 41.96 39.10 1j7m s TYR 26 CO 0.13 -0.53 1.01 0.39 -1.57 0.00 0.00 175.55 174.98 1j7m n GLU 27 N 4.93 0.35 -4.51 -0.62 1.02 -1.26 -0.56 120.64 119.99 1j7m n GLU 27 Ca -0.14 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.75 1j7m n GLU 27 Cb 0.48 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 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 -4.17 2.81 1.01 1.62 1.04 -1.26 -4.88 113.70 109.87 1j7m s SER 28 Ca 0.03 -1.70 -0.11 0.00 0.48 0.00 0.00 55.95 54.65 1j7m s SER 28 Cb 0.14 0.54 0.20 0.00 0.10 0.00 0.00 66.02 67.00 1j7m s SER 28 CO 0.80 -0.96 1.10 0.00 0.98 0.00 0.00 173.24 175.16 1j7m s THR 30 N -2.58 0.01 -0.11 0.00 -1.32 -0.59 -4.97 115.64 106.08 1j7m s THR 30 Ca 0.67 -1.74 0.14 0.00 -1.21 0.00 0.00 61.69 59.55 1j7m s THR 30 Cb -0.24 -2.32 0.29 0.00 -1.51 0.00 0.00 72.50 68.72 1j7m s THR 30 CO 0.61 -0.05 1.14 -1.54 -2.21 0.00 0.00 174.62 172.57 1j7m n SER 31 N -0.30 1.61 -4.78 8.08 3.41 -1.26 -0.00 113.62 120.39 1j7m n SER 31 Ca -0.00 -3.00 -0.41 0.00 -0.26 0.00 0.00 58.87 55.20 1j7m n SER 31 Cb 0.64 -0.40 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.16 3.51 0.00 7.33 0.00 -1.26 -1.16 121.76 128.03 1j7m s ALA 32 Ca 0.28 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1j7m s ALA 32 Cb 0.27 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1j7m s ALA 32 CO -0.02 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.16 1j7m n GLY 33 N 0.54 2.09 0.00 0.00 0.00 -1.26 -4.76 105.19 101.80 1j7m n GLY 33 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.48 1.61 1.74 -0.67 -4.98 116.66 110.88 1j7m n ARG 34 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1j7m n ARG 34 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1j7m n ARG 34 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1j7m n SER 35 N -0.97 -5.21 -0.07 0.55 2.88 -0.31 -4.82 113.62 105.67 1j7m n SER 35 Ca 0.00 0.41 -0.11 0.00 -1.33 0.00 0.00 58.87 57.84 1j7m n SER 35 Cb 0.00 -4.15 -0.15 0.00 -0.75 0.00 0.00 64.21 59.16 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 -0.91 0.60 0.00 -3.46 5.75 -1.26 -5.02 116.55 112.25 1j7m n ASP 36 Ca -0.16 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1j7m n ASP 36 Cb 0.58 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 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 1.75 0.97 3.74 6.12 0.00 -1.26 -5.13 105.19 111.38 1j7m n GLY 37 Ca -0.29 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 4.27 0.27 1.61 3.01 -1.26 -5.02 119.74 122.62 1j7m s LYS 38 Ca 0.00 2.29 0.04 0.00 -1.01 0.00 0.00 55.97 57.29 1j7m s LYS 38 Cb 0.00 -3.11 -0.03 0.00 -1.01 0.00 0.00 37.83 33.68 1j7m s LYS 38 CO 0.00 -0.41 0.41 -1.64 0.51 0.00 0.00 175.35 174.22 1j7m s MET 39 N -0.33 3.43 0.12 1.68 -1.94 -1.26 -4.75 119.30 116.24 1j7m s MET 39 Ca 0.59 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 1j7m s MET 39 Cb -0.42 -2.83 -0.00 0.00 2.01 0.00 0.00 34.83 33.59 1j7m s MET 39 CO 0.43 0.34 0.13 -2.67 -0.01 0.00 0.00 175.02 173.23 1j7m n TRP 40 N -1.52 -0.51 -3.69 -0.03 4.27 1.00 -1.32 117.44 115.64 1j7m n TRP 40 Ca -0.07 -0.87 -0.13 0.00 -3.89 0.00 0.00 57.50 52.53 1j7m n TRP 40 Cb 0.57 0.14 -0.09 0.00 -1.36 0.00 0.00 31.31 30.57 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 0.46 2.88 -0.97 0.00 0.00 -1.26 -1.53 121.76 121.33 1j7m s ALA 42 Ca -0.01 0.35 0.17 0.00 0.00 0.00 0.00 51.96 52.46 1j7m s ALA 42 Cb -0.04 -3.19 0.59 0.00 0.00 0.00 0.00 23.12 20.48 1j7m s ALA 42 CO -0.02 -0.52 1.51 0.25 0.00 0.00 0.00 175.76 176.98 1j7m n THR 43 N -1.69 1.68 -4.04 0.00 -2.24 -0.54 -0.44 114.28 107.00 1j7m n THR 43 Ca 0.08 -1.26 -0.12 0.00 -2.27 0.00 0.00 64.05 60.48 1j7m n THR 43 Cb 0.53 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.77 0.37 0.25 4.28 -4.23 -1.26 -4.53 115.64 108.75 1j7m s THR 44 Ca 0.43 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 60.11 1j7m s THR 44 Cb 0.28 -0.43 0.23 0.00 1.34 0.00 0.00 72.50 73.92 1j7m s THR 44 CO 0.21 -0.30 1.74 0.00 -0.54 0.00 0.00 174.62 175.73 1j7m h ALA 45 N 4.92 1.13 -3.78 3.99 0.00 -1.86 -3.34 119.26 120.34 1j7m h ALA 45 Ca -0.33 0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1j7m h ALA 45 Cb 1.20 0.06 -0.37 0.00 0.00 0.00 0.00 17.79 18.68 1j7m h ALA 45 CO 0.43 -0.18 -0.77 1.21 0.00 0.00 0.00 179.25 179.95 1j7m s ASN 46 N -5.36 4.58 0.25 0.00 3.84 -1.26 -2.25 114.94 114.74 1j7m s ASN 46 Ca -0.12 -1.58 0.06 0.00 0.21 0.00 0.00 52.86 51.43 1j7m s ASN 46 Cb 0.21 -1.59 0.29 0.00 -0.55 0.00 0.00 41.25 39.61 1j7m s ASN 46 CO 0.77 -0.25 1.58 0.22 -2.79 0.00 0.00 177.10 176.63 1j7m h TYR 47 N 7.76 0.23 0.00 0.43 3.20 -1.57 -2.70 116.97 124.31 1j7m h TYR 47 Ca -0.16 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 1j7m h TYR 47 Cb 1.04 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1j7m h TYR 47 CO 0.59 0.73 -0.17 -0.44 -1.64 0.00 0.00 178.16 177.23 1j7m h ASP 48 N 0.13 0.00 0.00 -2.11 3.32 -1.91 0.36 116.42 116.22 1j7m h ASP 48 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1j7m h ASP 48 Cb 1.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1j7m h ASP 48 CO 0.09 0.17 -0.25 0.44 -1.72 0.00 0.00 179.24 177.96 1j7m h ASP 49 N 0.00 0.00 1.18 6.45 3.32 -1.85 -3.40 116.42 122.11 1j7m h ASP 49 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1j7m h ASP 49 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1j7m h ASP 49 CO 0.02 0.67 -0.76 0.44 -1.72 0.00 0.00 179.24 177.89 1j7m h ASP 50 N -1.00 0.00 -6.65 6.45 3.32 -1.54 -3.49 116.42 113.52 1j7m h ASP 50 Ca -0.02 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.48 1j7m h ASP 50 Cb 0.31 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 1j7m h ASP 50 CO -0.01 0.01 -0.92 0.54 -1.72 0.00 0.00 179.24 177.15 1j7m n ARG 51 N -2.69 -2.45 -4.31 3.56 1.74 0.13 -4.97 116.66 107.66 1j7m n ARG 51 Ca 0.01 0.31 -0.33 0.00 -0.77 0.00 0.00 57.85 57.08 1j7m n ARG 51 Cb 0.53 -4.18 -0.16 0.00 -1.02 0.00 0.00 32.46 27.63 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 -6.77 3.01 0.33 5.56 1.02 -1.26 -5.07 119.74 116.56 1j7m s LYS 52 Ca 0.05 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.25 1j7m s LYS 52 Cb -0.02 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1j7m s LYS 52 CO 0.92 -0.14 0.20 1.67 -0.92 0.00 0.00 175.35 177.08 1j7m s TRP 53 N 1.13 1.67 -0.19 3.18 1.48 -1.26 -1.47 118.94 123.48 1j7m s TRP 53 Ca 0.01 -1.48 -0.30 0.00 -1.06 0.00 0.00 56.10 53.28 1j7m s TRP 53 Cb -0.14 -0.84 0.14 0.00 -1.16 0.00 0.00 33.47 31.46 1j7m s TRP 53 CO -0.09 -0.63 1.05 0.20 -4.06 0.00 0.00 176.95 173.42 1j7m s GLY 54 N -3.41 -0.21 1.00 3.67 0.00 -0.58 -2.45 107.32 105.34 1j7m s GLY 54 Ca 0.35 2.19 -0.12 0.00 0.00 0.00 0.00 44.72 47.15 1j7m s GLY 54 CO 0.21 1.11 1.08 -1.36 0.00 0.00 0.00 173.10 174.14 1j7m s PHE 55 N -0.98 1.81 0.40 1.90 0.08 0.30 0.94 117.98 122.43 1j7m s PHE 55 Ca -0.00 1.33 0.08 0.00 0.12 0.00 0.00 56.93 58.46 1j7m s PHE 55 Cb -0.01 -3.18 -0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1j7m s PHE 55 CO -0.00 -3.04 0.51 0.00 -0.10 0.00 0.00 175.22 172.58 1j7m n PRO 57 N -1.74 2.09 -1.87 0.00 -0.04 -1.26 -4.76 135.00 127.43 1j7m n PRO 57 Ca 0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1j7m n PRO 57 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 -1.57 6.45 -0.19 3.54 2.15 -1.26 -4.95 116.67 120.83 1j7m s ASP 58 Ca 0.00 2.94 -0.17 0.00 0.43 0.00 0.00 52.55 55.75 1j7m s ASP 58 Cb 0.00 -2.66 -0.07 0.00 -0.30 0.00 0.00 42.92 39.90 1j7m s ASP 58 CO 0.00 -0.81 -0.34 0.00 -0.17 0.00 0.00 175.17 173.85 1j7m n GLN 59 N 0.99 0.54 0.00 4.34 6.02 -1.26 -5.18 117.38 122.82 1j7m n GLN 59 Ca 0.03 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1j7m n GLN 59 Cb 0.39 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46