#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 n SER 2 N 0.00 1.12 -4.29 1.61 2.88 -1.26 -5.06 113.62 108.62 2dm1 n SER 2 Ca 0.00 0.16 -0.34 0.00 -1.33 0.00 0.00 58.87 57.37 2dm1 n SER 2 Cb 0.00 -0.38 0.12 0.00 -0.75 0.00 0.00 64.21 63.20 2dm1 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dm1 n SER 3 N -3.64 -2.73 0.00 -3.46 3.41 -1.26 -4.66 113.62 101.28 2dm1 n SER 3 Ca -0.06 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2dm1 n SER 3 Cb 0.25 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 2dm1 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm1 n GLY 4 N 2.06 0.74 3.87 5.00 0.00 -1.26 -4.91 105.19 110.70 2dm1 n GLY 4 Ca 0.03 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 2dm1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm1 n SER 5 N -2.40 -3.04 -0.03 1.61 7.64 -1.26 -4.89 113.62 111.25 2dm1 n SER 5 Ca 0.00 -0.83 -0.13 0.00 1.01 0.00 0.00 58.87 58.92 2dm1 n SER 5 Cb 0.00 -3.78 -0.08 0.00 -1.01 0.00 0.00 64.21 59.34 2dm1 n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dm1 h SER 6 N -1.95 0.18 -1.39 6.43 0.87 -1.94 -3.45 113.55 112.29 2dm1 h SER 6 Ca -0.60 -0.43 0.13 0.00 -1.23 0.00 0.00 61.79 59.66 2dm1 h SER 6 Cb 1.37 -0.05 -0.22 0.00 -0.44 0.00 0.00 62.40 63.06 2dm1 h SER 6 CO 0.64 0.58 -0.00 -0.83 -0.53 0.00 0.00 176.83 176.68 2dm1 s GLY 7 N -3.20 -0.55 -0.32 5.77 0.00 -1.26 -5.06 107.32 102.70 2dm1 s GLY 7 Ca -0.15 2.56 0.17 0.00 0.00 0.00 0.00 44.72 47.30 2dm1 s GLY 7 CO 0.71 3.22 1.10 0.61 0.00 0.00 0.00 173.10 178.74 2dm1 n GLY 8 N 5.28 1.56 3.00 0.20 0.00 -1.26 -5.04 105.19 108.93 2dm1 n GLY 8 Ca -0.09 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2dm1 n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dm1 s THR 9 N -2.42 0.49 0.08 2.61 -4.23 -1.26 -3.30 115.64 107.60 2dm1 s THR 9 Ca 0.25 -0.49 0.08 0.00 -1.18 0.00 0.00 61.69 60.35 2dm1 s THR 9 Cb 0.42 -0.45 -0.03 0.00 1.34 0.00 0.00 72.50 73.78 2dm1 s THR 9 CO -0.01 -0.02 -0.22 0.00 -0.54 0.00 0.00 174.62 173.83 2dm1 s ALA 10 N -0.49 1.89 -0.04 3.99 0.00 -0.33 -2.24 121.76 124.55 2dm1 s ALA 10 Ca -0.01 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2dm1 s ALA 10 Cb -0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2dm1 s ALA 10 CO -0.00 0.41 -0.14 0.54 0.00 0.00 0.00 175.76 176.57 2dm1 s VAL 11 N -0.99 3.09 -0.38 0.00 0.11 -0.15 -0.27 120.40 121.81 2dm1 s VAL 11 Ca 0.08 -0.77 -0.28 0.00 -2.93 0.00 0.00 61.98 58.08 2dm1 s VAL 11 Cb -0.10 -2.23 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 2dm1 s VAL 11 CO 0.03 0.55 1.85 0.00 -3.33 0.00 0.00 175.10 174.21 2dm1 s ALA 12 N -0.78 2.69 -0.20 1.54 0.00 -0.93 0.32 121.76 124.40 2dm1 s ALA 12 Ca 0.12 0.12 0.17 0.00 0.00 0.00 0.00 51.96 52.37 2dm1 s ALA 12 Cb -0.11 -4.08 0.09 0.00 0.00 0.00 0.00 23.12 19.02 2dm1 s ALA 12 CO 0.02 -2.93 1.40 0.00 0.00 0.00 0.00 175.76 174.25 2dm1 h ARG 13 N 13.62 0.00 -4.11 0.00 2.47 -1.33 -2.21 114.38 122.83 2dm1 h ARG 13 Ca -0.32 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.15 2dm1 h ARG 13 Cb 1.17 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.24 2dm1 h ARG 13 CO 1.07 0.38 -0.73 0.71 0.56 0.00 0.00 179.97 181.96 2dm1 s TYR 14 N -3.01 0.32 -0.03 3.04 2.02 -1.14 -4.89 117.35 113.66 2dm1 s TYR 14 Ca 0.04 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 2dm1 s TYR 14 Cb 0.07 -0.20 -0.07 0.00 -0.40 0.00 0.00 41.96 41.36 2dm1 s TYR 14 CO 0.74 -0.06 1.74 -0.80 -1.57 0.00 0.00 175.55 175.60 2dm1 s ASN 15 N -0.69 6.61 -0.10 2.29 -0.87 -1.26 -4.56 114.94 116.35 2dm1 s ASN 15 Ca -0.05 2.36 -0.00 0.00 -1.57 0.00 0.00 52.86 53.60 2dm1 s ASN 15 Cb -0.05 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.67 2dm1 s ASN 15 CO -0.00 -0.96 -0.07 0.12 -2.57 0.00 0.00 177.10 173.62 2dm1 s PHE 16 N 4.12 1.38 -0.38 2.20 5.36 -0.13 -5.02 117.98 125.51 2dm1 s PHE 16 Ca 0.78 -0.66 -0.17 0.00 -0.96 0.00 0.00 56.93 55.91 2dm1 s PHE 16 Cb -0.36 -1.17 0.00 0.00 -0.34 0.00 0.00 43.02 41.15 2dm1 s PHE 16 CO 0.33 -0.48 0.47 0.00 -1.46 0.00 0.00 175.22 174.08 2dm1 s ALA 17 N 1.67 3.45 0.08 11.12 0.00 -1.26 -0.46 121.76 136.35 2dm1 s ALA 17 Ca 0.04 -1.21 -0.36 0.00 0.00 0.00 0.00 51.96 50.42 2dm1 s ALA 17 Cb -0.13 -3.01 -0.16 0.00 0.00 0.00 0.00 23.12 19.83 2dm1 s ALA 17 CO -0.07 -1.34 1.44 0.00 0.00 0.00 0.00 175.76 175.79 2dm1 n ALA 18 N 5.67 -0.29 -0.03 0.00 0.00 -1.26 -4.89 120.51 119.71 2dm1 n ALA 18 Ca -0.06 0.49 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 2dm1 n ALA 18 Cb 0.48 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 2dm1 n ALA 18 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dm1 h ARG 19 N 5.19 0.25 -6.20 0.00 0.11 -1.95 -3.46 114.38 108.32 2dm1 h ARG 19 Ca -0.47 -0.23 -0.56 0.00 0.10 0.00 0.00 59.98 58.82 2dm1 h ARG 19 Cb 1.31 0.05 -0.10 0.00 1.11 0.00 0.00 29.97 32.35 2dm1 h ARG 19 CO 0.82 0.91 -0.66 0.34 0.10 0.00 0.00 179.97 181.48 2dm1 s ASP 20 N -6.34 4.41 0.20 0.08 2.15 -1.26 -5.04 116.67 110.87 2dm1 s ASP 20 Ca -0.15 -0.70 -0.11 0.00 0.43 0.00 0.00 52.55 52.02 2dm1 s ASP 20 Cb 0.02 -0.77 0.24 0.00 -0.30 0.00 0.00 42.92 42.12 2dm1 s ASP 20 CO 0.76 0.00 1.73 0.24 -0.17 0.00 0.00 175.17 177.72 2dm1 h MET 21 N 1.93 0.30 -0.76 4.34 2.86 -2.02 -1.53 114.93 120.05 2dm1 h MET 21 Ca -0.44 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.35 2dm1 h MET 21 Cb 1.25 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.73 2dm1 h MET 21 CO 0.60 0.20 0.19 0.00 1.06 0.00 0.00 176.91 178.96 2dm1 h ARG 22 N 0.31 0.26 -7.23 1.72 3.08 -1.96 -3.42 114.38 107.15 2dm1 h ARG 22 Ca 0.28 -0.02 -0.47 0.00 0.07 0.00 0.00 59.98 59.84 2dm1 h ARG 22 Cb 0.37 -0.06 0.19 0.00 0.08 0.00 0.00 29.97 30.56 2dm1 h ARG 22 CO -0.33 0.17 0.12 -1.21 -1.07 0.00 0.00 179.97 177.66 2dm1 s GLU 23 N -6.03 0.09 -0.12 0.04 0.41 -0.58 -1.75 118.70 110.77 2dm1 s GLU 23 Ca -0.13 1.03 0.03 0.00 -0.41 0.00 0.00 54.97 55.50 2dm1 s GLU 23 Cb 0.22 -1.66 0.01 0.00 -1.78 0.00 0.00 34.13 30.92 2dm1 s GLU 23 CO 0.76 -3.10 -0.21 -1.17 -0.49 0.00 0.00 175.26 171.05 2dm1 s LEU 24 N -6.83 2.01 0.22 1.80 2.96 0.80 -4.49 118.68 115.15 2dm1 s LEU 24 Ca 0.67 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.73 2dm1 s LEU 24 Cb -0.23 -1.34 -0.09 0.00 0.50 0.00 0.00 46.19 45.03 2dm1 s LEU 24 CO 0.61 0.09 1.34 -0.94 -1.32 0.00 0.00 176.35 176.14 2dm1 s SER 25 N 0.69 6.83 -0.12 3.68 1.04 -1.26 -4.50 113.70 120.06 2dm1 s SER 25 Ca -0.11 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.80 2dm1 s SER 25 Cb -0.16 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 2dm1 s SER 25 CO 0.02 -0.57 -0.13 -0.76 0.98 0.00 0.00 173.24 172.78 2dm1 s LEU 26 N -0.22 2.74 -0.07 2.42 1.43 0.39 -4.94 118.68 120.44 2dm1 s LEU 26 Ca 0.57 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2dm1 s LEU 26 Cb -0.38 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2dm1 s LEU 26 CO 0.40 0.19 -0.24 -0.60 0.23 0.00 0.00 176.35 176.33 2dm1 s ARG 27 N 0.18 2.62 -0.80 1.70 3.52 -1.26 -0.96 118.95 123.95 2dm1 s ARG 27 Ca -0.07 -0.88 -0.35 0.00 -0.13 0.00 0.00 55.73 54.30 2dm1 s ARG 27 Cb -0.15 -2.15 -0.20 0.00 -1.56 0.00 0.00 34.95 30.88 2dm1 s ARG 27 CO 0.05 0.32 2.49 0.39 -0.81 0.00 0.00 175.30 177.74 2dm1 n GLU 28 N 3.10 0.06 0.00 5.12 1.02 -1.26 0.65 120.64 129.33 2dm1 n GLU 28 Ca -0.18 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2dm1 n GLU 28 Cb 0.52 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2dm1 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm1 n GLY 29 N 6.82 3.18 3.72 0.62 0.00 -0.83 -4.99 105.19 113.71 2dm1 n GLY 29 Ca 0.61 -1.10 -0.60 0.00 0.00 0.00 0.00 46.02 44.93 2dm1 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 30 N 0.03 2.07 -4.69 1.61 9.92 0.21 -4.54 116.55 121.17 2dm1 n ASP 30 Ca 0.00 1.10 -0.38 0.00 -0.53 0.00 0.00 54.79 54.98 2dm1 n ASP 30 Cb 0.00 -1.07 -0.07 0.00 -0.64 0.00 0.00 41.12 39.34 2dm1 n ASP 30 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dm1 s VAL 31 N 3.44 5.18 -0.02 2.53 1.01 -1.26 -2.18 120.40 129.10 2dm1 s VAL 31 Ca 1.00 0.82 0.03 0.00 0.00 0.00 0.00 61.98 63.83 2dm1 s VAL 31 Cb -1.19 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 31.39 2dm1 s VAL 31 CO 0.70 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 175.29 2dm1 s VAL 32 N 1.16 3.55 -0.44 2.92 1.01 0.62 -4.30 120.40 124.92 2dm1 s VAL 32 Ca 0.22 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2dm1 s VAL 32 Cb -0.15 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.83 2dm1 s VAL 32 CO 0.09 0.46 0.28 -0.60 0.00 0.00 0.00 175.10 175.33 2dm1 s ARG 33 N -1.21 2.46 -0.36 2.72 3.52 -1.22 -1.19 118.95 123.68 2dm1 s ARG 33 Ca 0.15 -1.64 -0.31 0.00 -0.13 0.00 0.00 55.73 53.80 2dm1 s ARG 33 Cb -0.11 -3.80 -0.09 0.00 -1.56 0.00 0.00 34.95 29.39 2dm1 s ARG 33 CO 0.05 -1.07 2.27 -0.89 -0.81 0.00 0.00 175.30 174.85 2dm1 n ILE 34 N 4.86 0.19 -0.08 4.11 5.41 -1.21 -3.71 119.36 128.93 2dm1 n ILE 34 Ca -0.08 -0.40 -0.21 0.00 1.00 0.00 0.00 62.75 63.05 2dm1 n ILE 34 Cb 0.42 -2.09 -0.12 0.00 -0.71 0.00 0.00 39.64 37.13 2dm1 n ILE 34 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2dm1 h TYR 35 N 14.47 0.08 -3.34 1.39 0.05 -0.67 -3.47 116.97 125.49 2dm1 h TYR 35 Ca -0.30 -0.06 -0.61 0.00 0.05 0.00 0.00 58.73 57.81 2dm1 h TYR 35 Cb 1.28 -0.00 -0.34 0.00 1.01 0.00 0.00 36.73 38.69 2dm1 h TYR 35 CO 0.96 1.48 -0.85 -1.12 -1.05 0.00 0.00 178.16 177.58 2dm1 s SER 36 N -6.83 2.53 -0.13 3.88 0.01 -1.12 -5.01 113.70 107.03 2dm1 s SER 36 Ca -0.27 -0.45 -0.23 0.00 1.31 0.00 0.00 55.95 56.32 2dm1 s SER 36 Cb 0.05 -1.16 -0.20 0.00 0.21 0.00 0.00 66.02 64.92 2dm1 s SER 36 CO 0.63 0.08 0.60 0.03 0.41 0.00 0.00 173.24 174.99 2dm1 h ARG 37 N 6.98 0.00 -5.60 12.44 3.08 -1.90 -3.02 114.38 126.36 2dm1 h ARG 37 Ca -0.26 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.14 2dm1 h ARG 37 Cb 1.21 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.09 2dm1 h ARG 37 CO 0.48 0.78 -0.61 0.42 -1.07 0.00 0.00 179.97 179.96 2dm1 s ILE 38 N -2.07 4.36 0.00 2.04 -1.09 -1.26 -4.61 121.20 118.56 2dm1 s ILE 38 Ca -0.15 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 2dm1 s ILE 38 Cb -0.02 -2.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.97 2dm1 s ILE 38 CO 0.54 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.40 2dm1 n GLY 39 N 2.87 -1.92 0.00 6.18 0.00 -1.26 -5.10 105.19 105.96 2dm1 n GLY 39 Ca -0.18 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2dm1 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 40 N -0.54 0.77 3.26 -0.02 0.00 -1.26 -5.04 105.19 102.37 2dm1 n GLY 40 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 41 N 0.00 -2.71 -4.75 1.61 8.00 -1.26 -4.95 116.55 112.50 2dm1 n ASP 41 Ca 0.00 -0.34 -0.39 0.00 0.71 0.00 0.00 54.79 54.77 2dm1 n ASP 41 Cb 0.00 -1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 40.04 2dm1 n ASP 41 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dm1 s GLN 42 N -3.99 4.37 0.00 -1.24 -1.52 -1.26 -4.03 119.66 111.99 2dm1 s GLN 42 Ca 0.58 0.80 0.00 0.00 -1.95 0.00 0.00 55.36 54.78 2dm1 s GLN 42 Cb -0.14 -3.38 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 2dm1 s GLN 42 CO 0.58 0.27 0.00 0.41 -0.25 0.00 0.00 175.29 176.31 2dm1 n GLY 43 N 2.65 0.82 2.85 3.09 0.00 -1.26 -5.08 105.19 108.26 2dm1 n GLY 43 Ca -0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2dm1 n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 44 N -2.19 0.00 0.47 1.61 0.52 -1.26 -4.24 118.94 113.85 2dm1 s TRP 44 Ca 0.00 0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.20 2dm1 s TRP 44 Cb 0.00 -0.05 -0.04 0.00 -1.15 0.00 0.00 33.47 32.23 2dm1 s TRP 44 CO 0.00 -0.02 0.06 -1.58 0.02 0.00 0.00 176.95 175.43 2dm1 s TRP 45 N 0.23 2.17 -0.15 -1.98 0.51 -1.16 -4.72 118.94 113.84 2dm1 s TRP 45 Ca -0.02 -0.80 -0.02 0.00 -2.12 0.00 0.00 56.10 53.14 2dm1 s TRP 45 Cb -0.03 -1.74 0.05 0.00 -0.81 0.00 0.00 33.47 30.94 2dm1 s TRP 45 CO -0.01 0.24 0.02 0.21 -0.51 0.00 0.00 176.95 176.90 2dm1 s LYS 46 N -3.86 0.64 0.00 4.98 2.20 -1.14 -1.72 119.74 120.83 2dm1 s LYS 46 Ca 0.23 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2dm1 s LYS 46 Cb 0.04 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2dm1 s LYS 46 CO 0.12 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 2dm1 n GLY 47 N 5.09 5.34 3.55 5.54 0.00 -1.21 0.12 105.19 123.62 2dm1 n GLY 47 Ca -0.08 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 2dm1 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dm1 s GLU 48 N 3.10 0.64 -0.19 1.61 2.12 -1.24 -3.66 118.70 121.08 2dm1 s GLU 48 Ca 0.00 1.09 -0.10 0.00 0.36 0.00 0.00 54.97 56.32 2dm1 s GLU 48 Cb 0.00 0.13 0.07 0.00 0.26 0.00 0.00 34.13 34.59 2dm1 s GLU 48 CO 0.00 -0.14 0.46 -0.08 -0.54 0.00 0.00 175.26 174.95 2dm1 s THR 49 N 1.44 -0.13 -1.41 -1.70 -1.32 -0.71 -3.37 115.64 108.44 2dm1 s THR 49 Ca -0.09 0.09 -0.05 0.00 -1.21 0.00 0.00 61.69 60.43 2dm1 s THR 49 Cb -0.06 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.25 2dm1 s THR 49 CO -0.16 0.04 0.62 0.59 -2.21 0.00 0.00 174.62 173.49 2dm1 n ASN 50 N 4.46 -5.79 -1.78 8.08 3.02 -1.26 -2.08 115.26 119.90 2dm1 n ASN 50 Ca -0.20 -0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 2dm1 n ASN 50 Cb 0.55 -4.59 0.01 0.00 -0.61 0.00 0.00 39.78 35.14 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm1 n GLY 51 N -1.51 -0.08 2.88 7.41 0.00 -1.26 -5.02 105.19 107.61 2dm1 n GLY 51 Ca -0.09 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2dm1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm1 s ARG 52 N -5.05 1.18 -0.05 1.61 1.81 -0.88 -5.14 118.95 112.43 2dm1 s ARG 52 Ca 0.13 -0.15 0.04 0.00 -1.72 0.00 0.00 55.73 54.02 2dm1 s ARG 52 Cb -0.06 -1.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.15 2dm1 s ARG 52 CO 0.16 -0.20 -0.15 0.42 -0.68 0.00 0.00 175.30 174.85 2dm1 s ILE 53 N 1.48 2.99 -3.60 1.52 1.09 -1.26 -1.73 121.20 121.69 2dm1 s ILE 53 Ca -0.01 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 2dm1 s ILE 53 Cb -0.13 -2.16 0.00 0.00 -1.06 0.00 0.00 42.46 39.11 2dm1 s ILE 53 CO -0.04 0.59 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 2dm1 n GLY 54 N 2.35 -2.11 3.65 6.18 0.00 -1.24 -4.87 105.19 109.15 2dm1 n GLY 54 Ca -0.17 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2dm1 n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 55 N -2.29 3.34 0.12 1.61 0.52 -0.72 -3.31 118.94 118.21 2dm1 s TRP 55 Ca 0.00 1.14 0.10 0.00 0.02 0.00 0.00 56.10 57.36 2dm1 s TRP 55 Cb 0.00 -3.02 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2dm1 s TRP 55 CO 0.00 -0.34 -0.25 -0.59 0.02 0.00 0.00 176.95 175.79 2dm1 s PHE 56 N 2.60 2.14 0.12 -1.98 -0.71 -0.70 -0.14 117.98 119.31 2dm1 s PHE 56 Ca 0.35 -0.39 -0.31 0.00 -1.04 0.00 0.00 56.93 55.54 2dm1 s PHE 56 Cb -0.16 -1.16 -0.08 0.00 -1.21 0.00 0.00 43.02 40.42 2dm1 s PHE 56 CO 0.09 0.30 1.35 -1.25 -1.34 0.00 0.00 175.22 174.37 2dm1 s PRO 57 N -2.04 4.34 0.00 1.99 0.04 -1.26 -2.96 135.00 135.11 2dm1 s PRO 57 Ca 0.12 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.48 2dm1 s PRO 57 Cb -0.10 -3.25 1.28 0.00 0.04 0.00 0.00 34.50 32.47 2dm1 s PRO 57 CO 0.06 -0.39 1.89 -1.13 0.04 0.00 0.00 177.00 177.46 2dm1 n SER 58 N 3.76 0.54 0.02 6.66 3.41 -1.26 -3.32 113.62 123.43 2dm1 n SER 58 Ca 0.10 -0.74 0.11 0.00 -0.26 0.00 0.00 58.87 58.08 2dm1 n SER 58 Cb 0.43 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2dm1 n SER 58 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2dm1 n THR 59 N -0.82 0.14 0.99 6.66 5.66 -1.26 -3.92 114.28 121.73 2dm1 n THR 59 Ca 0.16 -0.18 0.11 0.00 -3.05 0.00 0.00 64.05 61.09 2dm1 n THR 59 Cb 0.27 0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 69.25 2dm1 n THR 59 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2dm1 n TYR 60 N -1.85 0.00 -4.41 1.09 4.02 -1.21 -4.96 117.16 109.83 2dm1 n TYR 60 Ca 0.03 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.67 2dm1 n TYR 60 Cb 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.64 2dm1 n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2dm1 s VAL 61 N -2.64 2.44 -0.14 -0.72 -7.23 -1.25 -0.88 120.40 109.98 2dm1 s VAL 61 Ca 0.15 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2dm1 s VAL 61 Cb 0.17 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2dm1 s VAL 61 CO 0.67 -0.17 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.39 2dm1 s GLU 62 N -3.70 2.79 -0.80 4.82 -6.30 0.15 -4.82 118.70 110.85 2dm1 s GLU 62 Ca 0.35 -0.76 -0.26 0.00 -2.50 0.00 0.00 54.97 51.79 2dm1 s GLU 62 Cb 0.02 -2.34 0.03 0.00 0.00 0.00 0.00 34.13 31.84 2dm1 s GLU 62 CO 0.19 -0.09 1.41 -1.21 0.02 0.00 0.00 175.26 175.58 2dm1 s GLU 63 N 1.03 3.20 1.00 4.30 2.02 -1.26 -0.98 118.70 128.00 2dm1 s GLU 63 Ca -0.03 -0.36 -0.17 0.00 0.02 0.00 0.00 54.97 54.43 2dm1 s GLU 63 Cb -0.14 -4.52 -0.09 0.00 0.10 0.00 0.00 34.13 29.47 2dm1 s GLU 63 CO -0.06 -2.28 -0.51 0.39 0.02 0.00 0.00 175.26 172.82 2dm1 n GLU 64 N 9.22 -0.20 0.00 1.61 -0.58 -0.95 -4.97 120.64 124.77 2dm1 n GLU 64 Ca 0.14 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2dm1 n GLU 64 Cb 0.50 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.08 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dm1 n GLY 65 N 2.84 -1.81 3.72 0.62 0.00 -1.26 -4.85 105.19 104.45 2dm1 n GLY 65 Ca 0.01 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 2dm1 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm1 s ILE 66 N 0.00 4.77 0.87 -0.61 -1.09 -1.26 -5.04 121.20 118.85 2dm1 s ILE 66 Ca 0.00 1.91 -0.10 0.00 -2.23 0.00 0.00 60.65 60.23 2dm1 s ILE 66 Cb 0.00 -4.25 0.12 0.00 -1.58 0.00 0.00 42.46 36.75 2dm1 s ILE 66 CO 0.00 0.25 1.11 0.00 -1.23 0.00 0.00 174.94 175.07 2dm1 s GLN 67 N 0.55 1.40 0.04 2.79 -2.07 -1.26 -5.01 119.66 116.10 2dm1 s GLN 67 Ca 0.47 1.31 -0.02 0.00 -1.82 0.00 0.00 55.36 55.30 2dm1 s GLN 67 Cb -0.21 -1.79 -0.01 0.00 -1.09 0.00 0.00 33.01 29.91 2dm1 s GLN 67 CO 0.26 -2.28 -0.03 0.45 -1.32 0.00 0.00 175.29 172.37 2dm1 n SER 68 N -3.97 0.84 -3.06 12.60 2.88 -1.26 -5.02 113.62 116.62 2dm1 n SER 68 Ca 0.10 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 2dm1 n SER 68 Cb 0.53 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2dm1 n SER 68 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm1 s GLY 69 N -3.76 -0.44 -0.02 0.46 0.00 -1.26 -5.13 107.32 97.17 2dm1 s GLY 69 Ca -0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 2dm1 s GLY 69 CO 0.04 3.13 1.46 2.56 0.00 0.00 0.00 173.10 180.29 2dm1 s PRO 70 N 0.85 4.25 0.18 2.90 0.04 -1.26 -5.02 135.00 136.95 2dm1 s PRO 70 Ca 0.27 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2dm1 s PRO 70 Cb -0.02 -3.66 -0.05 0.00 0.04 0.00 0.00 34.50 30.81 2dm1 s PRO 70 CO -0.09 -0.65 -0.01 -1.54 0.04 0.00 0.00 177.00 174.75 2dm1 s SER 71 N 2.20 1.39 -0.22 6.66 1.04 -1.26 -5.09 113.70 118.42 2dm1 s SER 71 Ca 0.66 -1.16 -0.28 0.00 0.48 0.00 0.00 55.95 55.65 2dm1 s SER 71 Cb -0.32 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 2dm1 s SER 71 CO 0.27 -0.53 2.19 -0.44 0.98 0.00 0.00 173.24 175.71 2dm1 s SER 72 N -3.19 5.50 0.00 7.02 0.01 -1.26 -5.30 113.70 116.48 2dm1 s SER 72 Ca 0.24 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2dm1 s SER 72 Cb 0.06 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2dm1 s SER 72 CO 0.04 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.38