#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws7 s ALA 2 N 0.00 0.38 -0.02 3.17 0.00 -1.26 -5.07 121.76 118.97 1ws7 s ALA 2 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1ws7 s ALA 2 Cb 0.00 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1ws7 s ALA 2 CO 0.00 -3.75 -0.12 0.99 0.00 0.00 0.00 175.76 172.88 1ws7 s THR 3 N -2.89 0.94 -0.27 0.00 2.01 -1.26 -5.00 115.64 109.17 1ws7 s THR 3 Ca 0.71 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 1ws7 s THR 3 Cb -0.10 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1ws7 s THR 3 CO 0.56 0.27 0.26 -0.69 -0.69 0.00 0.00 174.62 174.34 1ws7 s VAL 4 N -0.11 5.26 -0.35 3.82 1.01 -1.26 -1.54 120.40 127.24 1ws7 s VAL 4 Ca 0.02 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.20 1ws7 s VAL 4 Cb -0.06 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1ws7 s VAL 4 CO 0.00 0.23 0.23 -1.00 0.00 0.00 0.00 175.10 174.56 1ws7 s HIS 5 N 1.77 3.22 -0.52 5.22 3.76 0.11 -4.94 115.29 123.90 1ws7 s HIS 5 Ca 0.10 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.37 1ws7 s HIS 5 Cb -0.16 -2.47 0.03 0.00 1.11 0.00 0.00 32.58 31.09 1ws7 s HIS 5 CO 0.10 -0.42 1.16 0.15 -0.85 0.00 0.00 174.74 174.88 1ws7 s LYS 6 N 1.69 3.63 -0.05 1.40 1.02 -1.26 -1.27 119.74 124.90 1ws7 s LYS 6 Ca 0.05 0.43 -0.33 0.00 0.02 0.00 0.00 55.97 56.15 1ws7 s LYS 6 Cb -0.18 -3.95 -0.11 0.00 -0.52 0.00 0.00 37.83 33.07 1ws7 s LYS 6 CO 0.10 -1.51 1.92 0.28 -0.92 0.00 0.00 175.35 175.22 1ws7 n VAL 7 N 6.78 0.66 -0.98 3.17 0.31 -0.63 -0.81 118.33 126.82 1ws7 n VAL 7 Ca 0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1ws7 n VAL 7 Cb 0.49 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1ws7 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws7 n GLY 8 N 4.48 0.71 7.00 2.92 0.00 -1.26 -3.61 105.19 115.43 1ws7 n GLY 8 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1ws7 n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ws7 n ASP 9 N 0.00 0.00 0.25 1.61 8.00 0.01 -0.87 116.55 125.54 1ws7 n ASP 9 Ca 0.00 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 1ws7 n ASP 9 Cb 0.00 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 41.99 1ws7 n ASP 9 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ws7 h SER 10 N 4.28 0.00 0.62 -2.24 4.64 -1.90 -1.10 113.55 117.85 1ws7 h SER 10 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1ws7 h SER 10 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ws7 h SER 10 CO 0.00 0.00 -0.79 0.74 -0.87 0.00 0.00 176.83 175.91 1ws7 h THR 11 N 0.00 1.50 -0.39 2.95 2.02 -1.33 -3.49 112.91 114.16 1ws7 h THR 11 Ca 0.06 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.72 1ws7 h THR 11 Cb 0.49 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1ws7 h THR 11 CO -0.00 0.73 0.00 0.61 0.37 0.00 0.00 175.52 177.23 1ws7 n GLY 12 N 0.70 -0.80 3.48 2.16 0.00 -0.42 -4.62 105.19 105.69 1ws7 n GLY 12 Ca -0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1ws7 n GLY 12 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ws7 s TRP 13 N 0.00 3.16 0.24 1.61 -0.00 -0.11 -4.29 118.94 119.55 1ws7 s TRP 13 Ca 0.00 -0.37 -0.17 0.00 -0.00 0.00 0.00 56.10 55.56 1ws7 s TRP 13 Cb 0.00 -2.93 0.01 0.00 -0.00 0.00 0.00 33.47 30.55 1ws7 s TRP 13 CO 0.00 -0.72 0.57 -0.08 -0.00 0.00 0.00 176.95 176.72 1ws7 s THR 14 N 2.17 0.01 0.00 5.86 -1.32 -1.26 -4.49 115.64 116.61 1ws7 s THR 14 Ca 0.12 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.53 1ws7 s THR 14 Cb -0.17 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 1ws7 s THR 14 CO 0.14 -0.04 0.31 0.41 -2.21 0.00 0.00 174.62 173.23 1ws7 n THR 15 N -0.39 0.00 -0.28 5.08 -1.04 -1.26 -4.75 114.28 111.64 1ws7 n THR 15 Ca -0.05 -0.43 0.03 0.00 -2.04 0.00 0.00 64.05 61.57 1ws7 n THR 15 Cb 0.61 1.11 0.12 0.00 -1.82 0.00 0.00 70.33 70.35 1ws7 n THR 15 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ws7 h LEU 16 N 0.00 -0.69 -8.45 -4.42 7.12 -1.99 -3.42 115.31 103.45 1ws7 h LEU 16 Ca 0.00 0.24 -0.20 0.00 0.13 0.00 0.00 57.88 58.05 1ws7 h LEU 16 Cb 0.05 0.48 -0.15 0.00 -0.53 0.00 0.00 40.66 40.52 1ws7 h LEU 16 CO 0.00 -0.26 -0.67 0.68 -0.13 0.00 0.00 178.44 178.06 1ws7 s VAL 17 N -6.22 0.39 0.34 1.05 -7.23 -1.26 -5.12 120.40 102.35 1ws7 s VAL 17 Ca -0.14 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 1ws7 s VAL 17 Cb 0.23 -1.87 -0.11 0.00 0.56 0.00 0.00 36.38 35.19 1ws7 s VAL 17 CO 0.76 -0.67 1.44 -2.84 -0.31 0.00 0.00 175.10 173.48 1ws7 s PRO 18 N -3.94 4.20 -0.11 4.82 0.02 -1.26 -4.99 135.00 133.74 1ws7 s PRO 18 Ca 0.18 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.59 1ws7 s PRO 18 Cb 0.07 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 31.62 1ws7 s PRO 18 CO -0.02 -0.43 0.23 -0.47 -0.33 0.00 0.00 177.00 175.98 1ws7 s TYR 19 N -0.88 -0.32 -1.03 6.54 5.04 -1.26 -5.09 117.35 120.35 1ws7 s TYR 19 Ca 0.53 0.80 -0.22 0.00 -2.44 0.00 0.00 57.07 55.74 1ws7 s TYR 19 Cb -0.44 -0.05 0.06 0.00 0.35 0.00 0.00 41.96 41.88 1ws7 s TYR 19 CO 0.56 -0.28 1.43 0.34 -1.34 0.00 0.00 175.55 176.26 1ws7 s ASP 20 N 1.90 6.54 0.55 4.32 -1.08 -1.26 -4.80 116.67 122.83 1ws7 s ASP 20 Ca -0.03 -1.58 0.33 0.00 -0.52 0.00 0.00 52.55 50.75 1ws7 s ASP 20 Cb -0.11 -2.55 1.51 0.00 -1.46 0.00 0.00 42.92 40.30 1ws7 s ASP 20 CO -0.08 -1.44 2.05 1.88 0.52 0.00 0.00 175.17 178.10 1ws7 h TYR 21 N 9.56 0.00 -0.40 -5.34 -1.99 -1.84 -1.90 116.97 115.06 1ws7 h TYR 21 Ca 0.21 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.78 1ws7 h TYR 21 Cb 1.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1ws7 h TYR 21 CO 1.28 0.06 -0.35 0.00 -0.00 0.00 0.00 178.16 179.14 1ws7 h ALA 22 N 1.94 0.58 -0.07 3.88 0.00 -1.87 -0.67 119.26 123.05 1ws7 h ALA 22 Ca -0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 1ws7 h ALA 22 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ws7 h ALA 22 CO 0.01 0.67 -0.57 0.87 0.00 0.00 0.00 179.25 180.23 1ws7 h LYS 23 N 0.78 0.22 -0.18 0.00 1.57 -1.81 -1.14 116.57 116.01 1ws7 h LYS 23 Ca 0.07 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ws7 h LYS 23 Cb 0.95 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1ws7 h LYS 23 CO 0.09 0.73 0.08 2.35 -0.57 0.00 0.00 179.45 182.13 1ws7 h TRP 24 N 0.16 0.26 -0.30 -1.35 7.01 -1.11 -1.34 115.95 119.28 1ws7 h TRP 24 Ca -0.00 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 1ws7 h TRP 24 Cb 1.05 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 28.01 1ws7 h TRP 24 CO 0.02 0.29 0.14 0.00 -2.79 0.00 0.00 178.44 176.09 1ws7 h ALA 25 N 0.95 0.36 0.00 2.65 0.00 -0.90 -1.70 119.26 120.62 1ws7 h ALA 25 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ws7 h ALA 25 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ws7 h ALA 25 CO -0.01 -0.25 0.00 0.66 0.00 0.00 0.00 179.25 179.65 1ws7 h SER 26 N 0.29 0.00 0.45 0.00 4.64 -1.02 -0.46 113.55 117.45 1ws7 h SER 26 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ws7 h SER 26 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ws7 h SER 26 CO -0.10 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.22 1ws7 n SER 27 N -2.90 0.34 -4.69 4.97 3.41 -0.52 -4.84 113.62 109.40 1ws7 n SER 27 Ca -0.00 -0.41 -0.23 0.00 -0.26 0.00 0.00 58.87 57.97 1ws7 n SER 27 Cb 0.20 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1ws7 n SER 27 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ws7 s ASN 28 N -2.54 4.56 -0.22 4.04 0.01 -0.18 -5.09 114.94 115.51 1ws7 s ASN 28 Ca 0.27 -0.76 -0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1ws7 s ASN 28 Cb 0.20 -0.75 0.06 0.00 0.41 0.00 0.00 41.25 41.17 1ws7 s ASN 28 CO 0.48 -0.18 -0.03 -0.75 -1.51 0.00 0.00 177.10 175.11 1ws7 s LYS 29 N -3.76 1.41 -0.16 -0.60 2.20 -1.26 -4.97 119.74 112.59 1ws7 s LYS 29 Ca 0.35 -0.85 -0.16 0.00 -0.36 0.00 0.00 55.97 54.94 1ws7 s LYS 29 Cb -0.04 -2.47 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1ws7 s LYS 29 CO 0.21 -0.60 0.40 -0.06 -0.36 0.00 0.00 175.35 174.94 1ws7 s PHE 30 N 1.50 3.45 0.15 4.03 0.40 -1.26 -5.06 117.98 121.20 1ws7 s PHE 30 Ca -0.05 0.71 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 1ws7 s PHE 30 Cb -0.18 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1ws7 s PHE 30 CO -0.07 0.12 -0.23 -1.01 0.70 0.00 0.00 175.22 174.74 1ws7 s HIS 31 N 0.85 2.09 0.26 0.36 3.76 -1.26 -0.88 115.29 120.46 1ws7 s HIS 31 Ca 0.21 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.41 1ws7 s HIS 31 Cb -0.14 -1.08 -0.13 0.00 1.11 0.00 0.00 32.58 32.34 1ws7 s HIS 31 CO 0.08 0.37 1.45 0.28 -0.85 0.00 0.00 174.74 176.06 1ws7 n VAL 32 N 0.57 1.04 0.00 -0.90 0.31 -1.26 -1.16 118.33 116.93 1ws7 n VAL 32 Ca -0.15 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1ws7 n VAL 32 Cb 0.55 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1ws7 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws7 n GLY 33 N 2.06 3.22 3.72 2.92 0.00 0.08 -5.01 105.19 112.18 1ws7 n GLY 33 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1ws7 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws7 s ASP 34 N -0.92 1.77 0.16 1.61 1.01 -0.31 -4.62 116.67 115.37 1ws7 s ASP 34 Ca 0.00 0.51 -0.09 0.00 0.71 0.00 0.00 52.55 53.68 1ws7 s ASP 34 Cb 0.00 -0.70 -0.01 0.00 1.01 0.00 0.00 42.92 43.23 1ws7 s ASP 34 CO 0.00 -3.59 0.29 -0.94 0.21 0.00 0.00 175.17 171.15 1ws7 s SER 35 N -4.25 0.03 -0.02 0.27 1.04 -0.59 -1.75 113.70 108.43 1ws7 s SER 35 Ca 0.72 -0.85 0.05 0.00 0.48 0.00 0.00 55.95 56.35 1ws7 s SER 35 Cb -0.08 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1ws7 s SER 35 CO 0.55 -0.90 -0.16 -0.76 0.98 0.00 0.00 173.24 172.95 1ws7 s LEU 36 N -2.96 2.65 -0.22 2.42 1.43 0.37 -0.71 118.68 121.65 1ws7 s LEU 36 Ca 0.17 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1ws7 s LEU 36 Cb 0.03 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1ws7 s LEU 36 CO -0.00 0.31 -0.14 -0.22 0.23 0.00 0.00 176.35 176.53 1ws7 s LEU 37 N -0.97 2.76 -0.39 1.79 2.96 -0.40 -0.21 118.68 124.22 1ws7 s LEU 37 Ca 0.13 -1.04 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 1ws7 s LEU 37 Cb -0.11 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.15 1ws7 s LEU 37 CO 0.02 -0.12 0.25 -0.36 -1.32 0.00 0.00 176.35 174.82 1ws7 s PHE 38 N 1.23 3.24 -0.23 5.38 0.40 -0.15 -1.61 117.98 126.24 1ws7 s PHE 38 Ca -0.03 -0.80 -0.09 0.00 -0.60 0.00 0.00 56.93 55.41 1ws7 s PHE 38 Cb -0.17 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.81 1ws7 s PHE 38 CO -0.08 -0.62 0.12 -0.80 0.70 0.00 0.00 175.22 174.53 1ws7 s ASN 39 N 1.61 5.79 0.14 1.36 0.02 -1.26 -1.85 114.94 120.75 1ws7 s ASN 39 Ca 0.03 0.03 -0.26 0.00 -1.02 0.00 0.00 52.86 51.65 1ws7 s ASN 39 Cb -0.19 -2.03 0.07 0.00 0.02 0.00 0.00 41.25 39.11 1ws7 s ASN 39 CO 0.08 0.06 0.98 -0.72 0.02 0.00 0.00 177.10 177.53 1ws7 s TYR 40 N 1.05 -0.13 -0.51 2.20 -0.85 -0.26 -0.93 117.35 117.92 1ws7 s TYR 40 Ca 0.06 -0.16 -0.26 0.00 -0.52 0.00 0.00 57.07 56.19 1ws7 s TYR 40 Cb -0.14 0.63 0.03 0.00 0.38 0.00 0.00 41.96 42.86 1ws7 s TYR 40 CO 0.04 -0.78 1.02 1.21 -1.52 0.00 0.00 175.55 175.52 1ws7 s ASN 41 N -2.93 6.47 0.00 -0.18 3.84 -1.26 -4.45 114.94 116.42 1ws7 s ASN 41 Ca 0.12 0.05 0.06 0.00 0.21 0.00 0.00 52.86 53.30 1ws7 s ASN 41 Cb -0.01 -2.49 0.38 0.00 -0.55 0.00 0.00 41.25 38.59 1ws7 s ASN 41 CO 0.02 -1.22 0.82 -0.46 -2.79 0.00 0.00 177.10 173.46 1ws7 n ASN 42 N 7.63 0.00 0.01 -4.21 2.04 -1.26 -0.89 115.26 118.57 1ws7 n ASN 42 Ca 0.06 -0.69 0.11 0.00 -0.44 0.00 0.00 54.58 53.63 1ws7 n ASN 42 Cb 0.48 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.81 1ws7 n ASN 42 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1ws7 n LYS 43 N -0.73 0.06 -0.04 -3.83 4.76 -1.26 -4.41 118.16 112.72 1ws7 n LYS 43 Ca 0.05 -0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.44 1ws7 n LYS 43 Cb 0.02 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 1ws7 n LYS 43 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1ws7 n PHE 44 N -1.60 0.00 -4.48 2.13 3.01 -0.07 -5.10 117.46 111.35 1ws7 n PHE 44 Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.26 1ws7 n PHE 44 Cb 0.36 -0.31 -0.08 0.00 -0.01 0.00 0.00 39.48 39.43 1ws7 n PHE 44 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1ws7 s HIS 45 N -2.16 1.78 0.31 1.38 3.76 -0.95 -4.86 115.29 114.55 1ws7 s HIS 45 Ca -0.08 -1.29 -0.08 0.00 -0.15 0.00 0.00 55.06 53.46 1ws7 s HIS 45 Cb 0.02 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.61 1ws7 s HIS 45 CO 0.21 -0.33 0.51 0.54 -0.85 0.00 0.00 174.74 174.82 1ws7 s ASN 46 N -3.56 0.43 -0.14 1.40 6.03 -1.26 -4.54 114.94 113.30 1ws7 s ASN 46 Ca 0.27 -1.25 -0.00 0.00 -1.03 0.00 0.00 52.86 50.85 1ws7 s ASN 46 Cb 0.03 0.66 0.03 0.00 -3.03 0.00 0.00 41.25 38.94 1ws7 s ASN 46 CO 0.16 -1.29 -0.09 -0.69 -2.03 0.00 0.00 177.10 173.16 1ws7 s VAL 47 N -3.31 1.21 -0.09 3.54 1.01 -0.30 -4.17 120.40 118.29 1ws7 s VAL 47 Ca 0.26 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1ws7 s VAL 47 Cb -0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1ws7 s VAL 47 CO 0.15 0.31 -0.22 -0.76 0.00 0.00 0.00 175.10 174.59 1ws7 s LEU 48 N 1.62 2.24 -0.14 3.92 1.43 0.15 -0.36 118.68 127.54 1ws7 s LEU 48 Ca 0.03 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 1ws7 s LEU 48 Cb -0.14 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1ws7 s LEU 48 CO -0.09 0.20 0.47 -1.58 0.23 0.00 0.00 176.35 175.59 1ws7 s GLN 49 N 0.10 4.30 0.39 1.70 0.74 0.01 -1.23 119.66 125.67 1ws7 s GLN 49 Ca -0.10 0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.78 1ws7 s GLN 49 Cb -0.16 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 1ws7 s GLN 49 CO 0.06 0.09 0.20 0.14 -0.55 0.00 0.00 175.29 175.24 1ws7 s VAL 50 N 0.85 0.30 0.57 1.34 -7.23 -0.64 0.44 120.40 116.03 1ws7 s VAL 50 Ca 0.25 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.49 1ws7 s VAL 50 Cb -0.15 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.51 1ws7 s VAL 50 CO 0.10 0.00 0.79 1.51 -0.31 0.00 0.00 175.10 177.19 1ws7 s ASP 51 N -3.54 5.07 0.14 4.85 1.47 -1.26 -3.94 116.67 119.46 1ws7 s ASP 51 Ca 0.29 -0.65 -0.21 0.00 1.18 0.00 0.00 52.55 53.16 1ws7 s ASP 51 Cb 0.02 0.02 0.01 0.00 -0.34 0.00 0.00 42.92 42.63 1ws7 s ASP 51 CO 0.20 -1.33 1.66 -0.61 0.68 0.00 0.00 175.17 175.78 1ws7 h GLN 52 N 0.13 -0.15 -0.59 2.11 4.15 -1.97 0.67 115.11 119.45 1ws7 h GLN 52 Ca -0.33 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.15 1ws7 h GLN 52 Cb 1.28 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.96 1ws7 h GLN 52 CO 0.42 -0.10 0.32 1.49 -1.93 0.00 0.00 178.83 179.03 1ws7 h GLU 53 N -0.16 0.59 -0.51 1.69 4.81 -1.99 0.12 114.58 119.14 1ws7 h GLU 53 Ca 0.12 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1ws7 h GLU 53 Cb 0.34 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1ws7 h GLU 53 CO -0.31 0.39 -0.16 1.96 -0.73 0.00 0.00 179.01 180.17 1ws7 h GLN 54 N 0.61 1.00 0.03 1.92 4.20 -1.80 -2.44 115.11 118.63 1ws7 h GLN 54 Ca 0.26 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.59 1ws7 h GLN 54 Cb 0.15 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ws7 h GLN 54 CO -0.17 1.07 -0.07 0.35 -0.67 0.00 0.00 178.83 179.34 1ws7 h PHE 55 N 0.87 -0.19 -0.55 2.96 3.57 -0.24 0.33 116.94 123.69 1ws7 h PHE 55 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ws7 h PHE 55 Cb 0.73 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1ws7 h PHE 55 CO 0.05 -0.12 0.31 0.87 -2.23 0.00 0.00 178.31 177.19 1ws7 h LYS 56 N -0.14 0.75 -0.09 1.11 1.57 -0.92 -2.52 116.57 116.34 1ws7 h LYS 56 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ws7 h LYS 56 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ws7 h LYS 56 CO -0.06 0.55 0.00 -1.13 -0.57 0.00 0.00 179.45 178.24 1ws7 n SER 57 N -4.40 2.41 -3.29 0.86 3.41 -0.93 -4.94 113.62 106.74 1ws7 n SER 57 Ca 0.05 -1.80 -0.24 0.00 -0.26 0.00 0.00 58.87 56.62 1ws7 n SER 57 Cb 0.09 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1ws7 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ws7 s ASN 59 N -2.94 6.59 -0.10 0.00 3.84 0.56 -4.89 114.94 118.01 1ws7 s ASN 59 Ca 0.43 0.38 0.14 0.00 0.21 0.00 0.00 52.86 54.01 1ws7 s ASN 59 Cb -0.19 -2.45 0.41 0.00 -0.55 0.00 0.00 41.25 38.47 1ws7 s ASN 59 CO 0.53 -0.91 1.33 -1.54 -2.79 0.00 0.00 177.10 173.71 1ws7 n SER 60 N 6.87 3.38 0.18 -4.21 3.41 -1.26 -4.66 113.62 117.33 1ws7 n SER 60 Ca 0.06 -2.58 0.13 0.00 -0.26 0.00 0.00 58.87 56.22 1ws7 n SER 60 Cb 0.48 -0.40 0.34 0.00 -0.26 0.00 0.00 64.21 64.38 1ws7 n SER 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ws7 h SER 61 N 1.76 0.00 -1.52 4.04 4.64 -1.95 -3.38 113.55 117.13 1ws7 h SER 61 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1ws7 h SER 61 Cb 1.11 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.86 1ws7 h SER 61 CO 0.12 0.00 -1.01 -1.20 -0.87 0.00 0.00 176.83 173.87 1ws7 n SER 62 N -2.71 -0.01 -4.75 4.97 7.64 -1.26 -5.13 113.62 112.36 1ws7 n SER 62 Ca 0.04 -3.14 -0.35 0.00 1.01 0.00 0.00 58.87 56.43 1ws7 n SER 62 Cb 0.44 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.68 1ws7 n SER 62 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ws7 s PRO 63 N -1.65 2.80 0.08 1.43 0.04 -1.26 -4.96 135.00 131.48 1ws7 s PRO 63 Ca 0.35 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1ws7 s PRO 63 Cb 0.32 -1.91 -0.26 0.00 0.04 0.00 0.00 34.50 32.69 1ws7 s PRO 63 CO -0.08 -1.33 1.14 0.00 0.04 0.00 0.00 177.00 176.77 1ws7 h ALA 64 N 0.60 0.23 -2.56 8.56 0.00 -0.37 -3.47 119.26 122.24 1ws7 h ALA 64 Ca -0.50 -0.94 -0.10 0.00 0.00 0.00 0.00 54.91 53.37 1ws7 h ALA 64 Cb 1.30 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.91 1ws7 h ALA 64 CO 0.54 1.11 -0.30 0.00 0.00 0.00 0.00 179.25 180.60 1ws7 s ALA 65 N -2.67 -0.59 0.01 0.00 0.00 -1.18 -4.98 121.76 112.35 1ws7 s ALA 65 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1ws7 s ALA 65 Cb 0.08 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1ws7 s ALA 65 CO 0.86 -0.38 -0.04 -1.12 0.00 0.00 0.00 175.76 175.08 1ws7 s SER 66 N -1.99 0.45 -0.01 0.00 0.01 -1.26 -0.81 113.70 110.09 1ws7 s SER 66 Ca -0.06 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1ws7 s SER 66 Cb -0.01 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 1ws7 s SER 66 CO -0.03 -0.03 -0.05 -0.31 0.41 0.00 0.00 173.24 173.23 1ws7 s TYR 67 N -0.43 0.47 0.00 2.43 1.51 0.52 -5.01 117.35 116.84 1ws7 s TYR 67 Ca -0.02 -0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.05 1ws7 s TYR 67 Cb -0.04 -0.32 0.16 0.00 -0.11 0.00 0.00 41.96 41.66 1ws7 s TYR 67 CO -0.00 -0.02 1.02 0.25 -1.11 0.00 0.00 175.55 175.69 1ws7 n THR 68 N 3.03 0.00 0.09 -0.71 -2.24 -1.26 -1.15 114.28 112.04 1ws7 n THR 68 Ca -0.14 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1ws7 n THR 68 Cb 0.58 0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 69.40 1ws7 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ws7 h SER 69 N 0.38 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.59 1ws7 h SER 69 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1ws7 h SER 69 Cb 1.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1ws7 h SER 69 CO 0.02 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 1ws7 n GLY 70 N 1.30 0.82 2.66 -0.77 0.00 -1.26 -4.75 105.19 103.18 1ws7 n GLY 70 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1ws7 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws7 n ALA 71 N -1.32 1.56 -2.33 4.61 0.00 -1.11 -1.10 120.51 120.83 1ws7 n ALA 71 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 53.44 51.07 1ws7 n ALA 71 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1ws7 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ws7 s ASP 72 N -1.80 6.95 -0.29 0.00 -0.00 -0.77 -4.78 116.67 115.98 1ws7 s ASP 72 Ca 0.25 2.01 -0.11 0.00 -0.00 0.00 0.00 52.55 54.70 1ws7 s ASP 72 Cb 0.40 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.71 1ws7 s ASP 72 CO -0.05 -0.63 0.18 -0.55 -0.00 0.00 0.00 175.17 174.12 1ws7 s SER 73 N 1.55 5.88 -0.15 0.27 0.15 -1.26 -0.98 113.70 119.17 1ws7 s SER 73 Ca 0.60 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 57.13 1ws7 s SER 73 Cb -0.29 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1ws7 s SER 73 CO 0.26 -0.09 -0.18 -0.63 1.20 0.00 0.00 173.24 173.80 1ws7 s ILE 74 N 1.73 2.47 0.39 6.45 1.01 0.71 -4.93 121.20 129.02 1ws7 s ILE 74 Ca 0.07 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 1ws7 s ILE 74 Cb -0.16 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.20 1ws7 s ILE 74 CO 0.10 0.53 1.08 -2.16 0.00 0.00 0.00 174.94 174.48 1ws7 s PRO 75 N 0.76 4.17 -0.68 2.79 0.04 -1.26 -0.48 135.00 140.34 1ws7 s PRO 75 Ca -0.07 1.61 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1ws7 s PRO 75 Cb -0.16 -2.62 0.17 0.00 0.04 0.00 0.00 34.50 31.93 1ws7 s PRO 75 CO 0.00 -0.16 0.48 -0.51 0.04 0.00 0.00 177.00 176.85 1ws7 s LEU 76 N -2.52 4.63 0.05 -3.56 1.43 -0.72 -4.92 118.68 113.07 1ws7 s LEU 76 Ca 0.57 -3.80 0.25 0.00 -1.03 0.00 0.00 54.13 50.12 1ws7 s LEU 76 Cb -0.25 -1.57 0.51 0.00 0.03 0.00 0.00 46.19 44.91 1ws7 s LEU 76 CO 0.31 -0.09 1.43 2.29 0.23 0.00 0.00 176.35 180.52 1ws7 n LYS 77 N 2.04 0.12 -3.98 1.70 2.85 -1.26 -0.75 118.16 118.88 1ws7 n LYS 77 Ca 0.20 0.03 -0.10 0.00 -1.05 0.00 0.00 58.31 57.39 1ws7 n LYS 77 Cb 0.36 -1.57 -0.11 0.00 -0.65 0.00 0.00 35.03 33.05 1ws7 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1ws7 s ARG 78 N -3.07 0.30 0.71 -1.58 0.52 -1.26 -4.67 118.95 109.90 1ws7 s ARG 78 Ca 0.09 -0.55 -0.16 0.00 -0.52 0.00 0.00 55.73 54.60 1ws7 s ARG 78 Cb 0.16 0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1ws7 s ARG 78 CO 0.69 -0.03 1.21 -2.14 0.02 0.00 0.00 175.30 175.05 1ws7 s PRO 79 N -1.28 2.29 0.00 3.54 0.02 -1.26 -4.86 135.00 133.45 1ws7 s PRO 79 Ca -0.13 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1ws7 s PRO 79 Cb -0.09 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1ws7 s PRO 79 CO -0.01 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 1ws7 n GLY 80 N 0.37 0.95 3.59 0.52 0.00 -0.39 -4.96 105.19 105.27 1ws7 n GLY 80 Ca 0.13 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1ws7 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws7 s THR 81 N -1.12 4.73 0.10 2.61 2.01 -1.26 -0.87 115.64 121.84 1ws7 s THR 81 Ca 0.00 -0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1ws7 s THR 81 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1ws7 s THR 81 CO 0.00 0.41 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.88 1ws7 s PHE 82 N 0.78 2.74 -0.03 4.92 0.40 0.12 -4.96 117.98 121.94 1ws7 s PHE 82 Ca 0.04 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1ws7 s PHE 82 Cb -0.13 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 1ws7 s PHE 82 CO 0.02 0.42 -0.14 0.71 0.70 0.00 0.00 175.22 176.93 1ws7 s TYR 83 N -1.20 1.39 0.03 0.36 1.51 -1.25 -0.61 117.35 117.57 1ws7 s TYR 83 Ca 0.21 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1ws7 s TYR 83 Cb -0.11 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1ws7 s TYR 83 CO 0.13 -0.12 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.31 1ws7 s PHE 84 N 0.03 0.70 0.11 2.71 0.40 -0.46 -1.63 117.98 119.84 1ws7 s PHE 84 Ca -0.02 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.73 1ws7 s PHE 84 Cb -0.10 -0.42 0.05 0.00 0.51 0.00 0.00 43.02 43.06 1ws7 s PHE 84 CO 0.01 -0.05 0.48 -0.48 0.70 0.00 0.00 175.22 175.88 1ws7 s LEU 85 N -1.21 0.06 -0.07 -0.37 0.05 -0.36 0.04 118.68 116.83 1ws7 s LEU 85 Ca -0.06 -0.10 -0.22 0.00 0.05 0.00 0.00 54.13 53.80 1ws7 s LEU 85 Cb -0.08 2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 46.10 1ws7 s LEU 85 CO 0.00 -0.83 0.66 0.00 -0.55 0.00 0.00 176.35 175.63 1ws7 n GLY 87 N 3.05 -1.32 3.73 0.00 0.00 -1.26 -3.67 105.19 105.72 1ws7 n GLY 87 Ca -0.03 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1ws7 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws7 s ILE 88 N -2.92 2.02 -0.38 -0.61 -1.09 -1.26 -4.81 121.20 112.15 1ws7 s ILE 88 Ca 0.15 0.02 -0.44 0.00 -2.23 0.00 0.00 60.65 58.15 1ws7 s ILE 88 Cb 0.19 -3.01 -0.18 0.00 -1.58 0.00 0.00 42.46 37.87 1ws7 s ILE 88 CO 0.59 0.00 1.61 -2.65 -1.23 0.00 0.00 174.94 173.26 1ws7 n PRO 89 N 3.40 0.42 0.00 2.79 -0.02 -1.26 -1.36 135.00 138.98 1ws7 n PRO 89 Ca 0.13 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1ws7 n PRO 89 Cb 0.36 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1ws7 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ws7 n GLY 90 N 3.86 2.84 0.12 -1.23 0.00 -1.26 -4.92 105.19 104.61 1ws7 n GLY 90 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 1ws7 n GLY 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ws7 h HIS 91 N 0.00 0.35 -0.92 1.61 3.86 -1.51 -2.96 115.15 115.58 1ws7 h HIS 91 Ca 0.00 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1ws7 h HIS 91 Cb 0.00 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 1ws7 h HIS 91 CO 0.00 0.65 0.60 0.00 0.86 0.00 0.00 177.93 180.04 1ws7 h GLN 93 N 1.25 0.00 -0.36 0.00 7.50 -1.89 -0.30 115.11 121.31 1ws7 h GLN 93 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 1ws7 h GLN 93 Cb -0.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.40 1ws7 h GLN 93 CO -0.07 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.54 1ws7 n LEU 94 N -2.76 2.63 0.00 1.46 4.77 -0.67 -4.92 117.00 117.50 1ws7 n LEU 94 Ca -0.01 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1ws7 n LEU 94 Cb 0.17 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1ws7 n LEU 94 CO 0.20 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1ws7 n GLY 95 N 1.32 0.74 3.23 -0.72 0.00 -0.13 -4.83 105.19 104.80 1ws7 n GLY 95 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ws7 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ws7 n GLN 96 N -1.01 2.70 -3.55 1.61 7.27 -1.04 -4.71 117.38 118.64 1ws7 n GLN 96 Ca 0.00 -2.79 -0.17 0.00 0.07 0.00 0.00 57.00 54.11 1ws7 n GLN 96 Cb 0.00 -3.39 -0.06 0.00 2.41 0.00 0.00 30.24 29.20 1ws7 n GLN 96 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1ws7 s LYS 97 N 4.23 1.00 -0.05 3.69 -2.85 -1.26 -1.96 119.74 122.53 1ws7 s LYS 97 Ca 0.54 0.38 -0.04 0.00 -1.00 0.00 0.00 55.97 55.85 1ws7 s LYS 97 Cb 0.08 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 1ws7 s LYS 97 CO 0.03 -0.28 0.12 0.54 0.10 0.00 0.00 175.35 175.87 1ws7 s VAL 98 N -0.89 -0.01 -0.20 1.79 0.11 0.11 -4.66 120.40 116.64 1ws7 s VAL 98 Ca -0.09 0.05 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1ws7 s VAL 98 Cb -0.01 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1ws7 s VAL 98 CO 0.08 0.02 0.15 -0.70 -3.33 0.00 0.00 175.10 171.33 1ws7 s GLU 99 N 0.37 4.18 -0.21 1.54 2.12 -1.26 -1.35 118.70 124.08 1ws7 s GLU 99 Ca -0.03 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1ws7 s GLU 99 Cb -0.04 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1ws7 s GLU 99 CO -0.01 0.25 -0.14 0.42 -0.54 0.00 0.00 175.26 175.23 1ws7 s ILE 100 N 0.51 2.40 -0.44 -3.70 -1.09 0.22 -4.83 121.20 114.26 1ws7 s ILE 100 Ca 0.09 -1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 57.35 1ws7 s ILE 100 Cb -0.12 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1ws7 s ILE 100 CO -0.00 0.37 0.34 -0.54 -1.23 0.00 0.00 174.94 173.88 1ws7 s LYS 101 N 1.29 2.94 -0.30 2.79 1.02 -1.26 -0.71 119.74 125.52 1ws7 s LYS 101 Ca 0.02 -1.23 -0.14 0.00 0.02 0.00 0.00 55.97 54.64 1ws7 s LYS 101 Cb -0.15 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.10 1ws7 s LYS 101 CO -0.09 -0.91 0.34 0.08 -0.92 0.00 0.00 175.35 173.85 1ws7 s VAL 102 N 1.63 5.20 -1.33 3.17 1.01 -0.05 -4.11 120.40 125.92 1ws7 s VAL 102 Ca 0.04 0.33 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1ws7 s VAL 102 Cb -0.22 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1ws7 s VAL 102 CO 0.07 0.09 0.48 0.47 0.00 0.00 0.00 175.10 176.22 1ws7 n ASP 103 N 5.30 -2.03 -4.81 3.32 8.00 -0.06 -1.26 116.55 125.01 1ws7 n ASP 103 Ca -0.10 -1.12 -0.32 0.00 0.71 0.00 0.00 54.79 53.96 1ws7 n ASP 103 Cb 0.51 -2.56 0.03 0.00 -0.02 0.00 0.00 41.12 39.08 1ws7 n ASP 103 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ws7 s PRO 104 N -6.77 3.17 0.00 -0.24 0.04 -1.26 -4.73 135.00 125.21 1ws7 s PRO 104 Ca 0.22 1.07 0.23 0.00 0.04 0.00 0.00 61.00 62.56 1ws7 s PRO 104 Cb -0.10 -2.02 1.39 0.00 0.04 0.00 0.00 34.50 33.82 1ws7 s PRO 104 CO 0.92 -0.92 1.76 0.41 0.04 0.00 0.00 177.00 179.21