#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 2.75 -0.54 0.66 -0.00 -1.26 -4.89 118.94 115.66 1j7m s TRP 2 Ca 0.00 0.82 -0.26 0.00 -0.00 0.00 0.00 56.10 56.66 1j7m s TRP 2 Cb 0.00 -3.63 -0.08 0.00 -0.00 0.00 0.00 33.47 29.75 1j7m s TRP 2 CO 0.00 -2.34 2.42 -1.33 -0.00 0.00 0.00 176.95 175.70 1j7m n MET 3 N 5.93 0.95 -2.13 5.86 2.81 -1.26 -4.93 117.12 124.35 1j7m n MET 3 Ca 0.14 -0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 55.77 1j7m n MET 3 Cb 0.44 -3.49 0.02 0.00 -0.71 0.00 0.00 33.22 29.48 1j7m n MET 3 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1j7m n SER 4 N 16.47 1.24 -4.70 7.83 7.64 -1.26 -4.60 113.62 136.23 1j7m n SER 4 Ca 0.39 -1.79 -0.25 0.00 1.01 0.00 0.00 58.87 58.23 1j7m n SER 4 Cb 0.53 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.89 3.88 0.16 0.44 -4.23 -1.26 -4.64 115.64 109.11 1j7m s THR 5 Ca 0.25 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1j7m s THR 5 Cb -0.02 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.76 1j7m s THR 5 CO 0.16 -0.23 -0.12 0.54 -0.54 0.00 0.00 174.62 174.44 1j7m s VAL 6 N -1.96 1.35 0.00 2.29 0.11 -1.23 -4.79 120.40 116.17 1j7m s VAL 6 Ca 0.30 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.27 1j7m s VAL 6 Cb -0.08 -1.88 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 1j7m s VAL 6 CO 0.21 -0.68 0.00 0.61 -3.33 0.00 0.00 175.10 171.91 1j7m n GLY 7 N -0.20 0.41 7.00 6.54 0.00 -1.26 0.22 105.19 117.89 1j7m n GLY 7 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 1.71 0.00 -0.02 0.00 -1.26 -4.43 105.19 101.19 1j7m n GLY 8 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.06 0.00 -0.52 1.61 6.94 0.07 -4.90 115.26 117.40 1j7m n ASN 9 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1j7m n ASN 9 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1j7m n ASN 9 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1j7m n SER 10 N 0.00 0.00 -0.91 0.53 7.64 -1.25 -2.07 113.62 117.56 1j7m n SER 10 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1j7m n SER 10 Cb 0.00 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.00 1.16 1.39 0.23 0.00 -1.26 -1.64 105.19 105.07 1j7m n GLY 11 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.03 0.84 3.79 -0.02 0.00 -0.88 -5.06 105.19 103.83 1j7m n GLY 12 Ca -0.12 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 2.75 0.54 4.61 0.00 -0.65 -3.98 121.76 123.04 1j7m s ALA 13 Ca 0.00 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1j7m s ALA 13 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 1j7m s ALA 13 CO 0.00 -0.69 1.19 -2.14 0.00 0.00 0.00 175.76 174.11 1j7m s PRO 14 N -3.73 3.32 -0.17 0.00 0.02 -1.26 -4.09 135.00 129.09 1j7m s PRO 14 Ca 0.66 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 63.17 1j7m s PRO 14 Cb -0.17 -2.11 -0.00 0.00 0.02 0.00 0.00 34.50 32.23 1j7m s PRO 14 CO 0.31 -0.92 1.06 0.00 -0.33 0.00 0.00 177.00 177.12 1j7m s VAL 16 N 2.72 4.74 -0.05 0.00 1.01 -0.23 -4.93 120.40 123.65 1j7m s VAL 16 Ca 0.47 1.81 0.06 0.00 0.00 0.00 0.00 61.98 64.33 1j7m s VAL 16 Cb -0.17 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1j7m s VAL 16 CO 0.12 -0.15 -0.25 -0.36 0.00 0.00 0.00 175.10 174.47 1j7m s PHE 17 N 3.07 2.44 -0.04 5.22 0.08 -1.26 -2.18 117.98 125.30 1j7m s PHE 17 Ca 0.40 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.55 1j7m s PHE 17 Cb -0.15 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1j7m s PHE 17 CO 0.07 -0.19 0.64 -1.25 -0.10 0.00 0.00 175.22 174.39 1j7m s PRO 18 N -0.22 4.39 0.02 0.24 0.05 -1.26 -5.05 135.00 133.17 1j7m s PRO 18 Ca -0.02 0.79 -0.00 0.00 0.05 0.00 0.00 61.00 61.82 1j7m s PRO 18 Cb -0.13 -3.40 0.00 0.00 0.05 0.00 0.00 34.50 31.02 1j7m s PRO 18 CO 0.03 0.21 0.03 1.97 0.05 0.00 0.00 177.00 179.29 1j7m n PHE 19 N 3.30 -3.40 -3.71 0.56 -1.74 0.31 -4.72 117.46 108.06 1j7m n PHE 19 Ca -0.04 -0.05 -0.14 0.00 -0.56 0.00 0.00 57.45 56.66 1j7m n PHE 19 Cb 0.51 -0.02 -0.14 0.00 1.52 0.00 0.00 39.48 41.35 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 0.09 -0.17 0.02 1.97 2.01 -0.12 0.64 115.64 120.08 1j7m s THR 20 Ca 0.02 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1j7m s THR 20 Cb -0.00 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1j7m s THR 20 CO 0.01 0.10 -0.11 0.12 -0.69 0.00 0.00 174.62 174.05 1j7m s PHE 21 N 1.71 0.96 -1.50 4.92 5.36 0.12 -1.97 117.98 127.59 1j7m s PHE 21 Ca -0.04 -0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 55.46 1j7m s PHE 21 Cb -0.11 -0.59 0.19 0.00 -0.34 0.00 0.00 43.02 42.16 1j7m s PHE 21 CO -0.07 -0.00 0.48 1.28 -1.46 0.00 0.00 175.22 175.44 1j7m n LEU 22 N 2.28 -0.66 0.00 6.12 7.99 -1.26 0.48 117.00 131.96 1j7m n LEU 22 Ca -0.17 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 54.93 1j7m n LEU 22 Cb 0.56 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 1j7m n LEU 22 CO 0.23 0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1j7m n GLY 23 N -0.94 1.42 3.49 -0.72 0.00 -1.26 -5.04 105.19 102.13 1j7m n GLY 23 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.10 4.35 -0.04 1.61 0.01 0.18 -5.09 114.94 112.85 1j7m s ASN 24 Ca 0.00 -0.15 -0.30 0.00 -0.71 0.00 0.00 52.86 51.70 1j7m s ASN 24 Cb 0.00 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.37 1j7m s ASN 24 CO 0.00 0.29 1.03 -0.54 -1.51 0.00 0.00 177.10 176.37 1j7m s LYS 25 N -0.36 4.48 -0.31 -0.60 1.02 -1.26 -0.70 119.74 122.01 1j7m s LYS 25 Ca 0.04 1.46 -0.05 0.00 0.02 0.00 0.00 55.97 57.44 1j7m s LYS 25 Cb -0.12 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1j7m s LYS 25 CO 0.02 -0.20 0.07 0.71 -0.92 0.00 0.00 175.35 175.03 1j7m s TYR 26 N 1.50 3.21 -0.84 3.18 2.02 0.21 -4.90 117.35 121.71 1j7m s TYR 26 Ca 0.52 -1.36 0.24 0.00 -0.37 0.00 0.00 57.07 56.09 1j7m s TYR 26 Cb -0.21 -2.23 0.33 0.00 -0.40 0.00 0.00 41.96 39.45 1j7m s TYR 26 CO 0.24 -0.69 1.28 0.39 -1.57 0.00 0.00 175.55 175.19 1j7m n GLU 27 N 4.79 0.12 -4.44 -0.62 1.02 -1.26 -0.53 120.64 119.72 1j7m n GLU 27 Ca -0.14 0.02 -0.24 0.00 -0.02 0.00 0.00 57.16 56.79 1j7m n GLU 27 Cb 0.46 -1.56 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 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 -3.45 2.43 0.73 1.62 1.04 -1.26 -4.84 113.70 109.97 1j7m s SER 28 Ca 0.08 -1.72 -0.14 0.00 0.48 0.00 0.00 55.95 54.65 1j7m s SER 28 Cb 0.16 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.88 1j7m s SER 28 CO 0.74 -1.00 1.15 0.00 0.98 0.00 0.00 173.24 175.11 1j7m s THR 30 N -2.34 0.59 -0.04 0.00 -1.32 0.79 -4.92 115.64 108.41 1j7m s THR 30 Ca 0.69 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.23 1j7m s THR 30 Cb -0.23 -2.48 0.09 0.00 -1.51 0.00 0.00 72.50 68.37 1j7m s THR 30 CO 0.47 0.00 0.95 -1.54 -2.21 0.00 0.00 174.62 172.29 1j7m n SER 31 N -1.09 1.20 -4.76 8.08 3.41 -1.26 0.70 113.62 119.89 1j7m n SER 31 Ca -0.03 -2.16 -0.41 0.00 -0.26 0.00 0.00 58.87 56.02 1j7m n SER 31 Cb 0.65 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.57 2.15 0.00 7.33 0.00 -1.26 -1.39 120.51 126.77 1j7m n ALA 32 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1j7m n ALA 32 Cb 0.54 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 0.53 2.25 0.16 0.00 0.00 -1.26 -4.74 105.19 102.14 1j7m n GLY 33 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.98 0.02 -2.33 1.61 1.74 -0.72 -4.98 116.66 110.02 1j7m n ARG 34 Ca 0.00 0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 1j7m n ARG 34 Cb 0.00 -0.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 1j7m n ARG 34 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1j7m n SER 35 N -2.59 -4.07 -0.07 0.55 3.41 -0.48 -4.78 113.62 105.59 1j7m n SER 35 Ca -0.01 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1j7m n SER 35 Cb 0.02 -3.48 -0.07 0.00 -0.26 0.00 0.00 64.21 60.42 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j7m n ASP 36 N -1.70 2.80 0.00 4.04 5.75 -1.26 -5.07 116.55 121.10 1j7m n ASP 36 Ca -0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.56 1j7m n ASP 36 Cb 0.60 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 2.74 -0.77 3.69 6.12 0.00 -1.26 -5.13 105.19 110.58 1j7m n GLY 37 Ca -0.24 0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.38 -3.43 1.61 4.01 -1.26 -5.00 118.16 116.47 1j7m n LYS 38 Ca 0.00 0.85 -0.27 0.00 -0.51 0.00 0.00 58.31 58.39 1j7m n LYS 38 Cb 0.00 -2.64 -0.03 0.00 -0.51 0.00 0.00 35.03 31.86 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1j7m s MET 39 N 0.71 3.56 0.00 1.97 -1.94 -1.26 -4.80 119.30 117.54 1j7m s MET 39 Ca 0.75 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 1j7m s MET 39 Cb -0.61 -2.70 0.00 0.00 2.01 0.00 0.00 34.83 33.53 1j7m s MET 39 CO 0.38 0.24 0.00 -2.67 -0.01 0.00 0.00 175.02 172.96 1j7m n TRP 40 N -1.12 -0.14 -3.59 -0.03 4.27 0.22 -0.11 117.44 116.94 1j7m n TRP 40 Ca -0.03 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.43 1j7m n TRP 40 Cb 0.55 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.43 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 -0.25 2.88 -1.88 0.00 0.00 -1.26 -1.67 121.76 119.57 1j7m s ALA 42 Ca -0.03 0.36 0.20 0.00 0.00 0.00 0.00 51.96 52.49 1j7m s ALA 42 Cb -0.03 -3.20 0.49 0.00 0.00 0.00 0.00 23.12 20.38 1j7m s ALA 42 CO 0.03 -0.50 1.41 0.25 0.00 0.00 0.00 175.76 176.95 1j7m n THR 43 N -1.65 0.81 -4.17 0.00 -2.24 -0.40 -1.07 114.28 105.57 1j7m n THR 43 Ca 0.08 -0.91 -0.15 0.00 -2.27 0.00 0.00 64.05 60.80 1j7m n THR 43 Cb 0.53 0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.13 0.97 0.23 4.28 -4.23 -1.26 -4.35 115.64 110.14 1j7m s THR 44 Ca 0.39 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1j7m s THR 44 Cb 0.21 -1.24 0.20 0.00 1.34 0.00 0.00 72.50 73.01 1j7m s THR 44 CO 0.29 -0.46 1.85 0.00 -0.54 0.00 0.00 174.62 175.76 1j7m h ALA 45 N 3.79 1.12 -3.44 3.99 0.00 -1.89 -3.37 119.26 119.46 1j7m h ALA 45 Ca -0.38 -0.12 -0.69 0.00 0.00 0.00 0.00 54.91 53.72 1j7m h ALA 45 Cb 1.19 -0.35 -0.32 0.00 0.00 0.00 0.00 17.79 18.31 1j7m h ALA 45 CO 0.49 0.62 -0.68 1.21 0.00 0.00 0.00 179.25 180.89 1j7m s ASN 46 N -6.18 4.97 0.06 0.00 3.84 -1.26 -0.94 114.94 115.42 1j7m s ASN 46 Ca -0.13 -1.29 0.05 0.00 0.21 0.00 0.00 52.86 51.70 1j7m s ASN 46 Cb 0.16 -1.74 -0.23 0.00 -0.55 0.00 0.00 41.25 38.89 1j7m s ASN 46 CO 0.82 -0.28 1.05 0.22 -2.79 0.00 0.00 177.10 176.12 1j7m h TYR 47 N 8.03 0.13 -0.91 0.43 3.20 -1.56 -3.22 116.97 123.07 1j7m h TYR 47 Ca -0.21 -0.10 0.16 0.00 3.14 0.00 0.00 58.73 61.73 1j7m h TYR 47 Cb 1.06 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1j7m h TYR 47 CO 0.61 1.10 0.59 -0.44 -1.64 0.00 0.00 178.16 178.38 1j7m h ASP 48 N 0.02 0.62 0.00 -2.11 3.32 -1.93 0.47 116.42 116.81 1j7m h ASP 48 Ca -0.13 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1j7m h ASP 48 Cb 1.89 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1j7m h ASP 48 CO 0.13 0.29 -0.09 0.44 -1.72 0.00 0.00 179.24 178.29 1j7m h ASP 49 N 0.64 0.00 0.41 6.45 5.19 -1.92 -3.40 116.42 123.78 1j7m h ASP 49 Ca 0.47 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.80 1j7m h ASP 49 Cb 0.85 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.34 1j7m h ASP 49 CO -0.23 0.21 -0.40 0.44 -3.12 0.00 0.00 179.24 176.14 1j7m h ASP 50 N -0.32 0.00 -6.61 6.45 3.32 -1.60 -3.47 116.42 114.19 1j7m h ASP 50 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1j7m h ASP 50 Cb 0.09 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.53 1j7m h ASP 50 CO 0.00 0.40 -0.87 0.54 -1.72 0.00 0.00 179.24 177.59 1j7m n ARG 51 N -4.05 -3.16 -3.84 3.56 5.12 0.16 -4.95 116.66 109.50 1j7m n ARG 51 Ca -0.02 0.38 -0.36 0.00 -1.93 0.00 0.00 57.85 55.92 1j7m n ARG 51 Cb 0.43 -4.67 -0.13 0.00 -1.16 0.00 0.00 32.46 26.93 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 -6.73 3.22 0.35 5.56 1.02 -1.26 -5.00 119.74 116.89 1j7m s LYS 52 Ca 0.25 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.51 1j7m s LYS 52 Cb -0.14 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1j7m s LYS 52 CO 0.91 -0.32 0.08 -2.67 -0.92 0.00 0.00 175.35 172.43 1j7m n TRP 53 N 4.82 0.35 -3.64 3.18 4.27 -1.26 -1.27 117.44 123.88 1j7m n TRP 53 Ca -0.16 -2.04 -0.06 0.00 -3.89 0.00 0.00 57.50 51.35 1j7m n TRP 53 Cb 0.49 -0.08 -0.07 0.00 -1.36 0.00 0.00 31.31 30.29 1j7m n TRP 53 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1j7m s GLY 54 N -3.04 0.14 0.71 -1.67 0.00 -0.67 -0.75 107.32 102.03 1j7m s GLY 54 Ca 0.11 3.17 -0.16 0.00 0.00 0.00 0.00 44.72 47.85 1j7m s GLY 54 CO 0.08 1.91 1.24 -1.36 0.00 0.00 0.00 173.10 174.97 1j7m s PHE 55 N 0.13 2.01 0.17 1.90 0.08 0.59 0.59 117.98 123.45 1j7m s PHE 55 Ca 0.05 1.57 -0.30 0.00 0.12 0.00 0.00 56.93 58.37 1j7m s PHE 55 Cb -0.05 -3.57 -0.08 0.00 -0.57 0.00 0.00 43.02 38.75 1j7m s PHE 55 CO -0.12 -2.79 1.33 0.00 -0.10 0.00 0.00 175.22 173.55 1j7m n PRO 57 N 3.10 0.68 -3.18 0.00 -0.04 -1.26 -3.68 135.00 130.62 1j7m n PRO 57 Ca 0.08 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 1j7m n PRO 57 Cb 0.43 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.66 3.48 -4.75 3.54 2.03 -1.26 -5.10 116.55 113.83 1j7m n ASP 58 Ca 0.05 -3.44 -0.30 0.00 0.52 0.00 0.00 54.79 51.62 1j7m n ASP 58 Cb 0.02 -0.62 0.11 0.00 -0.72 0.00 0.00 41.12 39.91 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 -2.77 1.87 0.00 -0.67 -1.52 -1.24 -5.03 119.66 110.30 1j7m s GLN 59 Ca 0.43 0.98 0.00 0.00 -1.95 0.00 0.00 55.36 54.82 1j7m s GLN 59 Cb 0.22 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 31.14 1j7m s GLN 59 CO -0.08 -1.86 0.00 0.41 -0.25 0.00 0.00 175.29 173.52