#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 2.76 -0.58 7.33 -0.11 -1.26 -4.93 118.94 122.16 1j7m s TRP 2 Ca 0.00 -1.21 -0.11 0.00 1.22 0.00 0.00 56.10 56.00 1j7m s TRP 2 Cb 0.00 -4.61 0.15 0.00 -1.50 0.00 0.00 33.47 27.51 1j7m s TRP 2 CO 0.00 -1.79 0.48 -1.64 -4.62 0.00 0.00 176.95 169.38 1j7m s MET 3 N 4.14 2.84 2.83 5.86 -1.94 -1.26 -5.00 119.30 126.77 1j7m s MET 3 Ca 0.45 -2.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.43 1j7m s MET 3 Cb -0.00 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.75 1j7m s MET 3 CO -0.05 -1.24 0.00 0.45 -0.01 0.00 0.00 175.02 174.16 1j7m n SER 4 N 4.61 -2.41 -3.94 3.03 2.88 -1.26 -4.90 113.62 111.63 1j7m n SER 4 Ca -0.03 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.33 1j7m n SER 4 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1j7m n SER 4 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1j7m n THR 5 N 0.00 0.00 -4.26 2.46 -2.24 -1.18 -4.82 114.28 104.24 1j7m n THR 5 Ca 0.00 -1.49 -0.15 0.00 -2.27 0.00 0.00 64.05 60.15 1j7m n THR 5 Cb 0.00 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 1j7m n THR 5 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j7m s VAL 6 N -1.85 1.07 0.00 2.28 0.11 -1.24 -4.97 120.40 115.79 1j7m s VAL 6 Ca 0.22 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.23 1j7m s VAL 6 Cb -0.02 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 1j7m s VAL 6 CO 0.14 -0.63 0.00 0.61 -3.33 0.00 0.00 175.10 171.89 1j7m n GLY 7 N -0.25 0.65 7.00 6.54 0.00 -1.26 0.23 105.19 118.10 1j7m n GLY 7 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.93 1.47 -0.02 0.00 -1.26 -4.40 105.19 101.91 1j7m n GLY 8 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.55 -0.34 0.00 1.61 2.04 0.38 -4.91 115.26 110.49 1j7m n ASN 9 Ca 0.00 -2.03 -0.09 0.00 -0.44 0.00 0.00 54.58 52.02 1j7m n ASN 9 Cb 0.00 0.13 -0.03 0.00 -2.53 0.00 0.00 39.78 37.35 1j7m n ASN 9 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1j7m h SER 10 N 0.58 -0.35 -1.22 0.53 4.64 -1.72 -3.45 113.55 112.57 1j7m h SER 10 Ca -0.43 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1j7m h SER 10 Cb 1.52 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1j7m h SER 10 CO -0.14 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.28 1j7m n GLY 11 N -1.25 0.70 1.17 -0.77 0.00 -1.26 -4.58 105.19 99.19 1j7m n GLY 11 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.61 0.67 3.26 -0.02 0.00 -1.26 -5.11 105.19 102.12 1j7m n GLY 12 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.78 -0.90 0.84 4.61 0.00 -1.26 -5.01 121.76 117.26 1j7m s ALA 13 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1j7m s ALA 13 Cb 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 23.12 22.95 1j7m s ALA 13 CO 0.00 -0.22 0.87 -0.35 0.00 0.00 0.00 175.76 176.07 1j7m n PRO 14 N 2.16 -0.49 -3.04 0.00 -0.04 -1.26 -3.10 135.00 129.23 1j7m n PRO 14 Ca -0.17 -1.74 -0.41 0.00 -0.04 0.00 0.00 63.50 61.15 1j7m n PRO 14 Cb 0.57 -0.78 -0.05 0.00 -0.04 0.00 0.00 33.50 33.20 1j7m n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j7m s VAL 16 N 2.19 4.47 -0.05 0.00 1.01 0.15 -4.96 120.40 123.21 1j7m s VAL 16 Ca 0.31 0.76 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1j7m s VAL 16 Cb -0.16 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.77 1j7m s VAL 16 CO 0.10 -0.83 -0.18 -0.36 0.00 0.00 0.00 175.10 173.83 1j7m s PHE 17 N 3.75 2.59 0.08 5.22 0.08 -1.26 -2.50 117.98 125.94 1j7m s PHE 17 Ca 0.37 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.86 1j7m s PHE 17 Cb -0.10 -1.61 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 1j7m s PHE 17 CO 0.26 0.05 0.69 -1.25 -0.10 0.00 0.00 175.22 174.87 1j7m s PRO 18 N -0.54 4.41 0.00 0.24 0.05 -1.26 -5.08 135.00 132.82 1j7m s PRO 18 Ca 0.07 0.95 0.00 0.00 0.05 0.00 0.00 61.00 62.07 1j7m s PRO 18 Cb -0.11 -3.29 0.00 0.00 0.05 0.00 0.00 34.50 31.14 1j7m s PRO 18 CO 0.01 0.49 0.00 1.97 0.05 0.00 0.00 177.00 179.52 1j7m n PHE 19 N 2.11 -2.45 -3.73 0.56 1.16 0.33 -4.82 117.46 110.61 1j7m n PHE 19 Ca -0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.38 1j7m n PHE 19 Cb 0.50 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.23 1j7m n PHE 19 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1j7m s THR 20 N 0.73 -0.07 0.01 1.97 2.01 -0.95 0.53 115.64 119.86 1j7m s THR 20 Ca 0.00 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.22 1j7m s THR 20 Cb 0.00 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1j7m s THR 20 CO 0.00 0.08 -0.10 0.12 -0.69 0.00 0.00 174.62 174.03 1j7m s PHE 21 N 1.32 0.91 -1.12 4.92 5.36 0.13 -1.54 117.98 127.96 1j7m s PHE 21 Ca -0.08 -0.24 -0.13 0.00 -0.96 0.00 0.00 56.93 55.52 1j7m s PHE 21 Cb -0.11 -0.57 0.13 0.00 -0.34 0.00 0.00 43.02 42.13 1j7m s PHE 21 CO -0.07 -0.01 0.37 1.28 -1.46 0.00 0.00 175.22 175.33 1j7m n LEU 22 N 2.49 -0.61 0.00 6.12 7.99 -1.26 0.71 117.00 132.45 1j7m n LEU 22 Ca -0.15 -0.51 0.00 0.00 -0.01 0.00 0.00 56.01 55.34 1j7m n LEU 22 Cb 0.56 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.43 1j7m n LEU 22 CO 0.24 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1j7m n GLY 23 N -0.87 1.45 3.64 -0.72 0.00 -1.26 -5.04 105.19 102.38 1j7m n GLY 23 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.12 5.18 -0.13 1.61 0.01 0.22 -5.08 114.94 113.62 1j7m s ASN 24 Ca 0.00 0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.93 1j7m s ASN 24 Cb 0.00 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 1j7m s ASN 24 CO 0.00 0.31 1.11 -0.54 -1.51 0.00 0.00 177.10 176.47 1j7m s LYS 25 N -0.50 4.33 -0.33 -0.60 1.02 -1.26 -0.70 119.74 121.71 1j7m s LYS 25 Ca 0.09 1.50 -0.08 0.00 0.02 0.00 0.00 55.97 57.50 1j7m s LYS 25 Cb -0.12 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1j7m s LYS 25 CO 0.02 -0.49 0.13 0.71 -0.92 0.00 0.00 175.35 174.80 1j7m s TYR 26 N 2.61 3.21 -0.36 3.18 2.02 0.19 -4.91 117.35 123.29 1j7m s TYR 26 Ca 0.50 -1.05 0.23 0.00 -0.37 0.00 0.00 57.07 56.38 1j7m s TYR 26 Cb -0.20 -2.33 0.04 0.00 -0.40 0.00 0.00 41.96 39.07 1j7m s TYR 26 CO 0.15 -0.63 1.03 0.39 -1.57 0.00 0.00 175.55 174.93 1j7m n GLU 27 N 4.90 0.49 -3.06 -0.62 1.02 -1.26 -0.51 120.64 121.60 1j7m n GLU 27 Ca -0.13 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 56.96 1j7m n GLU 27 Cb 0.47 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.39 1.17 -4.58 1.62 3.41 -1.26 -4.84 113.62 106.75 1j7m n SER 28 Ca 0.01 -1.95 -0.29 0.00 -0.26 0.00 0.00 58.87 56.37 1j7m n SER 28 Cb 0.51 0.43 0.21 0.00 -0.26 0.00 0.00 64.21 65.10 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 -2.61 0.01 -0.06 0.00 -1.32 -0.02 -4.97 115.64 106.67 1j7m s THR 30 Ca 0.67 -1.59 0.08 0.00 -1.21 0.00 0.00 61.69 59.64 1j7m s THR 30 Cb -0.23 -2.26 0.13 0.00 -1.51 0.00 0.00 72.50 68.63 1j7m s THR 30 CO 0.61 -0.03 1.02 -1.54 -2.21 0.00 0.00 174.62 172.47 1j7m n SER 31 N -0.33 1.30 -4.77 8.08 3.41 -1.26 0.30 113.62 120.35 1j7m n SER 31 Ca -0.01 -2.38 -0.41 0.00 -0.26 0.00 0.00 58.87 55.81 1j7m n SER 31 Cb 0.63 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.70 2.46 -0.06 7.33 0.00 -1.26 -0.70 120.51 127.57 1j7m n ALA 32 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1j7m n ALA 32 Cb 0.59 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 1.06 2.44 0.06 0.00 0.00 -1.26 -4.70 105.19 102.79 1j7m n GLY 33 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.31 0.00 1.61 1.74 -0.61 -5.00 116.66 112.70 1j7m n ARG 34 Ca 0.00 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1j7m n ARG 34 Cb 0.00 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.83 0.00 0.00 0.55 7.64 0.12 -4.16 113.62 114.94 1j7m n SER 35 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1j7m n SER 35 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 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 3.66 0.00 -3.03 6.43 5.68 -1.26 -4.95 116.55 123.08 1j7m n ASP 36 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 1j7m n ASP 36 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 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 3.25 -0.08 1.12 6.12 0.00 -1.26 -4.29 105.19 110.05 1j7m n GLY 37 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.20 -3.06 -2.92 1.61 4.76 -1.26 -4.94 118.16 110.15 1j7m n LYS 38 Ca -0.08 2.33 -0.33 0.00 -2.87 0.00 0.00 58.31 57.36 1j7m n LYS 38 Cb 0.24 -2.78 -0.07 0.00 -1.84 0.00 0.00 35.03 30.58 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1j7m s MET 39 N -4.72 4.19 0.10 1.97 -1.94 -1.26 -4.84 119.30 112.80 1j7m s MET 39 Ca 0.00 1.00 0.02 0.00 -1.71 0.00 0.00 55.69 55.00 1j7m s MET 39 Cb 0.00 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.53 1j7m s MET 39 CO 0.00 0.05 0.07 -2.67 -0.01 0.00 0.00 175.02 172.46 1j7m n TRP 40 N -0.45 -0.13 -3.74 -0.03 4.27 0.15 -0.87 117.44 116.63 1j7m n TRP 40 Ca 0.05 -0.78 -0.13 0.00 -3.89 0.00 0.00 57.50 52.75 1j7m n TRP 40 Cb 0.53 0.05 -0.10 0.00 -1.36 0.00 0.00 31.31 30.44 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 0.14 2.87 -0.71 0.00 0.00 -1.26 -1.13 121.76 121.66 1j7m s ALA 42 Ca -0.01 0.52 0.15 0.00 0.00 0.00 0.00 51.96 52.62 1j7m s ALA 42 Cb -0.03 -3.23 0.50 0.00 0.00 0.00 0.00 23.12 20.36 1j7m s ALA 42 CO 0.01 -0.37 1.42 0.25 0.00 0.00 0.00 175.76 177.07 1j7m n THR 43 N -1.19 1.69 -4.04 0.00 -2.24 -0.31 -0.67 114.28 107.52 1j7m n THR 43 Ca 0.09 -1.36 -0.12 0.00 -2.27 0.00 0.00 64.05 60.39 1j7m n THR 43 Cb 0.53 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.88 0.41 0.24 4.28 -4.23 -1.26 -4.57 115.64 108.63 1j7m s THR 44 Ca 0.38 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1j7m s THR 44 Cb 0.26 -0.51 0.21 0.00 1.34 0.00 0.00 72.50 73.80 1j7m s THR 44 CO 0.16 -0.42 1.83 0.00 -0.54 0.00 0.00 174.62 175.65 1j7m h ALA 45 N 4.54 1.15 -3.66 3.99 0.00 -1.89 -3.35 119.26 120.03 1j7m h ALA 45 Ca -0.35 0.01 -0.67 0.00 0.00 0.00 0.00 54.91 53.90 1j7m h ALA 45 Cb 1.20 -0.18 -0.37 0.00 0.00 0.00 0.00 17.79 18.45 1j7m h ALA 45 CO 0.41 0.17 -0.73 1.21 0.00 0.00 0.00 179.25 180.31 1j7m s ASN 46 N -5.68 4.72 0.16 0.00 3.84 -1.26 -2.25 114.94 114.46 1j7m s ASN 46 Ca -0.13 -1.64 -0.02 0.00 0.21 0.00 0.00 52.86 51.28 1j7m s ASN 46 Cb 0.19 -1.64 -0.00 0.00 -0.55 0.00 0.00 41.25 39.24 1j7m s ASN 46 CO 0.78 -0.29 1.38 0.22 -2.79 0.00 0.00 177.10 176.40 1j7m h TYR 47 N 7.81 0.57 -0.98 0.43 3.20 -1.41 -2.97 116.97 123.60 1j7m h TYR 47 Ca -0.15 -0.27 0.13 0.00 3.14 0.00 0.00 58.73 61.57 1j7m h TYR 47 Cb 1.04 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.15 1j7m h TYR 47 CO 0.58 1.06 0.62 -0.44 -1.64 0.00 0.00 178.16 178.34 1j7m h ASP 48 N 0.26 0.88 0.00 -2.11 3.32 -1.90 0.68 116.42 117.55 1j7m h ASP 48 Ca -0.05 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1j7m h ASP 48 Cb 1.41 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1j7m h ASP 48 CO 0.14 0.46 -0.55 0.44 -1.72 0.00 0.00 179.24 178.01 1j7m h ASP 49 N 0.94 0.01 0.59 6.45 3.32 -1.90 -3.40 116.42 122.44 1j7m h ASP 49 Ca 0.49 -0.80 -0.28 0.00 0.02 0.00 0.00 57.03 56.46 1j7m h ASP 49 Cb 0.54 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1j7m h ASP 49 CO -0.26 1.22 -1.39 0.44 -1.72 0.00 0.00 179.24 177.53 1j7m h ASP 50 N -0.98 0.30 -6.10 6.45 3.32 -1.48 -3.48 116.42 114.46 1j7m h ASP 50 Ca -0.15 -0.38 -0.43 0.00 0.02 0.00 0.00 57.03 56.09 1j7m h ASP 50 Cb 1.15 -0.10 0.04 0.00 0.22 0.00 0.00 39.33 40.64 1j7m h ASP 50 CO -0.08 1.31 -0.77 0.54 -1.72 0.00 0.00 179.24 178.52 1j7m n ARG 51 N -3.42 -5.81 -3.88 3.56 5.12 0.24 -4.98 116.66 107.48 1j7m n ARG 51 Ca -0.12 0.67 -0.35 0.00 -1.93 0.00 0.00 57.85 56.11 1j7m n ARG 51 Cb 1.02 -5.48 -0.14 0.00 -1.16 0.00 0.00 32.46 26.71 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 -6.23 3.26 0.37 5.56 1.02 -1.26 -5.01 119.74 117.45 1j7m s LYS 52 Ca 0.36 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.67 1j7m s LYS 52 Cb -0.17 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1j7m s LYS 52 CO 0.80 -0.27 0.10 1.67 -0.92 0.00 0.00 175.35 176.73 1j7m s TRP 53 N 1.47 1.83 -0.25 3.18 1.48 -1.26 -1.17 118.94 124.21 1j7m s TRP 53 Ca 0.04 -1.16 -0.26 0.00 -1.06 0.00 0.00 56.10 53.66 1j7m s TRP 53 Cb -0.15 -1.19 0.08 0.00 -1.16 0.00 0.00 33.47 31.05 1j7m s TRP 53 CO -0.02 -0.19 0.80 0.20 -4.06 0.00 0.00 176.95 173.68 1j7m s GLY 54 N -3.55 -0.44 0.92 3.67 0.00 -0.29 -0.47 107.32 107.16 1j7m s GLY 54 Ca 0.28 2.12 -0.11 0.00 0.00 0.00 0.00 44.72 47.01 1j7m s GLY 54 CO 0.14 1.68 1.10 -1.36 0.00 0.00 0.00 173.10 174.66 1j7m s PHE 55 N 0.15 2.01 0.14 1.90 0.08 0.62 0.11 117.98 122.99 1j7m s PHE 55 Ca -0.00 1.45 0.03 0.00 0.12 0.00 0.00 56.93 58.52 1j7m s PHE 55 Cb -0.04 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1j7m s PHE 55 CO 0.00 -2.64 0.24 0.00 -0.10 0.00 0.00 175.22 172.72 1j7m n PRO 57 N -0.34 2.90 -1.69 0.00 -0.04 -1.26 -4.86 135.00 129.70 1j7m n PRO 57 Ca -0.07 0.00 -0.55 0.00 -0.04 0.00 0.00 63.50 62.84 1j7m n PRO 57 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 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 2.48 -4.59 3.54 2.03 -1.26 -4.82 116.55 113.93 1j7m n ASP 58 Ca 0.00 1.06 -0.42 0.00 0.52 0.00 0.00 54.79 55.95 1j7m n ASP 58 Cb 0.00 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.18 1j7m n ASP 58 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1j7m s GLN 59 N 3.21 3.12 0.00 -0.67 -1.52 -1.26 -5.23 119.66 117.31 1j7m s GLN 59 Ca 0.95 1.66 0.00 0.00 -1.95 0.00 0.00 55.36 56.03 1j7m s GLN 59 Cb -0.99 -4.31 0.00 0.00 -0.22 0.00 0.00 33.01 27.49 1j7m s GLN 59 CO 0.61 -2.11 0.00 0.41 -0.25 0.00 0.00 175.29 173.95