#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 s SER 2 N 0.00 6.12 -1.44 1.61 1.04 -1.26 -4.51 113.70 115.27 2dm1 s SER 2 Ca 0.00 -1.86 -0.10 0.00 0.48 0.00 0.00 55.95 54.48 2dm1 s SER 2 Cb 0.00 -2.17 0.05 0.00 0.10 0.00 0.00 66.02 64.00 2dm1 s SER 2 CO 0.00 -0.82 1.02 -0.24 0.98 0.00 0.00 173.24 174.18 2dm1 n SER 3 N 5.13 -4.73 -4.75 7.02 2.88 -1.26 -4.89 113.62 113.02 2dm1 n SER 3 Ca -0.12 -0.70 -0.41 0.00 -1.33 0.00 0.00 58.87 56.31 2dm1 n SER 3 Cb 0.40 -4.33 -0.01 0.00 -0.75 0.00 0.00 64.21 59.52 2dm1 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm1 s GLY 4 N -3.50 2.25 -0.45 0.46 0.00 -1.26 -4.97 107.32 99.85 2dm1 s GLY 4 Ca 0.53 1.56 -0.08 0.00 0.00 0.00 0.00 44.72 46.73 2dm1 s GLY 4 CO 0.79 2.49 0.30 -1.35 0.00 0.00 0.00 173.10 175.34 2dm1 s SER 5 N 0.39 5.60 1.15 1.64 1.04 -1.26 -4.95 113.70 117.31 2dm1 s SER 5 Ca 0.61 -1.87 -0.16 0.00 0.48 0.00 0.00 55.95 55.01 2dm1 s SER 5 Cb -0.47 -1.97 0.26 0.00 0.10 0.00 0.00 66.02 63.94 2dm1 s SER 5 CO 0.50 -0.64 1.08 -0.44 0.98 0.00 0.00 173.24 174.72 2dm1 s SER 6 N 2.42 1.33 0.06 7.02 0.01 -1.26 -4.83 113.70 118.46 2dm1 s SER 6 Ca 0.06 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.23 2dm1 s SER 6 Cb -0.25 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2dm1 s SER 6 CO -0.01 -3.90 0.00 0.61 0.41 0.00 0.00 173.24 170.35 2dm1 n GLY 7 N -0.65 -4.82 2.35 3.44 0.00 -1.26 -4.99 105.19 99.26 2dm1 n GLY 7 Ca 0.09 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2dm1 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 8 N 1.23 3.93 3.03 -0.02 0.00 -1.26 -5.06 105.19 107.05 2dm1 n GLY 8 Ca 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.17 0.29 0.23 2.61 -4.23 -1.26 0.13 115.64 111.23 2dm1 s THR 9 Ca 0.39 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2dm1 s THR 9 Cb 0.20 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.35 2dm1 s THR 9 CO -0.08 -0.57 0.17 0.00 -0.54 0.00 0.00 174.62 173.60 2dm1 s ALA 10 N -1.97 1.28 -0.07 3.99 0.00 0.93 -3.20 121.76 122.71 2dm1 s ALA 10 Ca -0.09 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.13 2dm1 s ALA 10 Cb -0.06 1.40 0.02 0.00 0.00 0.00 0.00 23.12 24.48 2dm1 s ALA 10 CO -0.02 -0.61 -0.08 0.54 0.00 0.00 0.00 175.76 175.59 2dm1 s VAL 11 N -4.02 0.86 -0.17 0.00 0.11 0.72 -1.17 120.40 116.73 2dm1 s VAL 11 Ca 0.39 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 2dm1 s VAL 11 Cb 0.06 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2dm1 s VAL 11 CO 0.15 0.30 1.82 0.00 -3.33 0.00 0.00 175.10 174.04 2dm1 s ALA 12 N 0.99 3.21 -0.29 1.54 0.00 -0.93 -1.61 121.76 124.67 2dm1 s ALA 12 Ca -0.09 0.70 0.23 0.00 0.00 0.00 0.00 51.96 52.79 2dm1 s ALA 12 Cb -0.15 -3.90 0.07 0.00 0.00 0.00 0.00 23.12 19.14 2dm1 s ALA 12 CO 0.00 -2.07 1.14 0.00 0.00 0.00 0.00 175.76 174.83 2dm1 h ARG 13 N 11.66 0.00 -3.58 0.00 2.47 -1.59 -1.66 114.38 121.68 2dm1 h ARG 13 Ca -0.38 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.13 2dm1 h ARG 13 Cb 1.19 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.24 2dm1 h ARG 13 CO 0.98 0.00 -0.63 0.71 0.56 0.00 0.00 179.97 181.59 2dm1 s TYR 14 N -3.33 -0.05 0.28 3.04 2.02 -1.19 -4.87 117.35 113.24 2dm1 s TYR 14 Ca 0.01 0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.55 2dm1 s TYR 14 Cb 0.09 0.01 -0.10 0.00 -0.40 0.00 0.00 41.96 41.56 2dm1 s TYR 14 CO 0.77 -0.06 1.42 -0.80 -1.57 0.00 0.00 175.55 175.31 2dm1 s ASN 15 N -0.11 6.64 -0.03 2.29 -0.87 -1.26 -4.63 114.94 116.97 2dm1 s ASN 15 Ca -0.02 2.72 0.00 0.00 -1.57 0.00 0.00 52.86 53.99 2dm1 s ASN 15 Cb -0.01 -2.63 0.03 0.00 -0.02 0.00 0.00 41.25 38.61 2dm1 s ASN 15 CO 0.00 -0.68 0.00 0.12 -2.57 0.00 0.00 177.10 173.97 2dm1 s PHE 16 N -0.39 0.32 -0.32 2.20 2.19 -0.11 -4.98 117.98 116.89 2dm1 s PHE 16 Ca 0.56 0.00 -0.14 0.00 0.33 0.00 0.00 56.93 57.69 2dm1 s PHE 16 Cb -0.42 -0.44 -0.02 0.00 -1.31 0.00 0.00 43.02 40.83 2dm1 s PHE 16 CO 0.48 -0.14 0.29 0.00 1.83 0.00 0.00 175.22 177.67 2dm1 s ALA 17 N 1.13 3.51 0.08 11.12 0.00 -1.26 -1.81 121.76 134.53 2dm1 s ALA 17 Ca -0.08 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.35 2dm1 s ALA 17 Cb -0.13 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 2dm1 s ALA 17 CO -0.02 -0.90 1.87 0.00 0.00 0.00 0.00 175.76 176.71 2dm1 n ALA 18 N 5.22 1.83 0.21 0.00 0.00 -1.26 -4.87 120.51 121.64 2dm1 n ALA 18 Ca -0.11 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.73 2dm1 n ALA 18 Cb 0.50 -2.60 0.15 0.00 0.00 0.00 0.00 19.45 17.50 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 9.11 0.00 -4.52 0.00 -0.00 -1.96 -3.47 114.38 113.55 2dm1 h ARG 19 Ca -0.48 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.30 2dm1 h ARG 19 Cb 1.23 0.00 -0.15 0.00 -0.00 0.00 0.00 29.97 31.06 2dm1 h ARG 19 CO 0.94 0.00 -0.66 0.34 -0.00 0.00 0.00 179.97 180.60 2dm1 s ASP 20 N -6.07 0.61 0.31 0.08 2.15 -1.26 -5.05 116.67 107.43 2dm1 s ASP 20 Ca 0.06 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.87 2dm1 s ASP 20 Cb 0.06 0.23 0.49 0.00 -0.30 0.00 0.00 42.92 43.40 2dm1 s ASP 20 CO 0.69 -0.66 1.89 0.24 -0.17 0.00 0.00 175.17 177.15 2dm1 h MET 21 N 2.85 0.80 -0.34 4.34 2.86 -2.02 -2.20 114.93 121.22 2dm1 h MET 21 Ca -0.35 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 2dm1 h MET 21 Cb 1.19 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 2dm1 h MET 21 CO 0.61 0.67 0.11 0.07 1.06 0.00 0.00 176.91 179.43 2dm1 h ARG 22 N 0.79 0.49 -7.36 1.72 0.11 -1.95 -3.43 114.38 104.73 2dm1 h ARG 22 Ca 0.19 -0.07 -0.50 0.00 0.10 0.00 0.00 59.98 59.70 2dm1 h ARG 22 Cb 0.17 -0.09 0.12 0.00 1.11 0.00 0.00 29.97 31.28 2dm1 h ARG 22 CO -0.02 0.43 0.33 -1.21 0.10 0.00 0.00 179.97 179.61 2dm1 s GLU 23 N -5.18 2.21 -0.09 0.08 8.01 -0.83 -0.13 118.70 122.76 2dm1 s GLU 23 Ca -0.08 0.83 0.03 0.00 0.01 0.00 0.00 54.97 55.76 2dm1 s GLU 23 Cb 0.16 -1.92 0.01 0.00 -4.31 0.00 0.00 34.13 28.07 2dm1 s GLU 23 CO 0.74 -1.58 -0.18 -1.17 0.01 0.00 0.00 175.26 173.08 2dm1 s LEU 24 N -5.81 1.86 0.48 1.80 2.96 -0.46 -4.53 118.68 114.98 2dm1 s LEU 24 Ca 0.60 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.84 2dm1 s LEU 24 Cb -0.15 -1.15 -0.07 0.00 0.50 0.00 0.00 46.19 45.31 2dm1 s LEU 24 CO 0.55 0.08 1.16 -0.44 -1.32 0.00 0.00 176.35 176.38 2dm1 s SER 25 N 0.63 6.08 -0.04 3.68 0.01 -1.26 -4.65 113.70 118.15 2dm1 s SER 25 Ca -0.14 2.28 0.04 0.00 1.31 0.00 0.00 55.95 59.44 2dm1 s SER 25 Cb -0.16 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2dm1 s SER 25 CO 0.04 -0.98 -0.14 -0.76 0.41 0.00 0.00 173.24 171.81 2dm1 s LEU 26 N -3.17 1.84 -0.04 2.44 1.43 -0.75 -4.98 118.68 115.45 2dm1 s LEU 26 Ca 0.65 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2dm1 s LEU 26 Cb -0.28 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2dm1 s LEU 26 CO 0.33 0.11 -0.23 -0.60 0.23 0.00 0.00 176.35 176.19 2dm1 s ARG 27 N 0.18 2.16 -0.72 1.70 6.06 -1.26 -0.93 118.95 126.13 2dm1 s ARG 27 Ca -0.06 -0.83 -0.34 0.00 -2.50 0.00 0.00 55.73 52.00 2dm1 s ARG 27 Cb -0.12 -1.93 -0.18 0.00 0.06 0.00 0.00 34.95 32.78 2dm1 s ARG 27 CO 0.02 0.41 2.45 0.39 -2.50 0.00 0.00 175.30 176.08 2dm1 n GLU 28 N 2.79 0.26 0.00 5.12 1.02 -1.26 0.67 120.64 129.24 2dm1 n GLU 28 Ca -0.17 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2dm1 n GLU 28 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 6.72 2.87 3.63 0.62 0.00 -0.62 -5.00 105.19 113.41 2dm1 n GLY 29 Ca 0.57 -1.03 -0.60 0.00 0.00 0.00 0.00 46.02 44.96 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 0.11 1.88 -4.57 1.61 9.92 0.21 -4.54 116.55 121.18 2dm1 n ASP 30 Ca 0.00 0.97 -0.42 0.00 -0.53 0.00 0.00 54.79 54.82 2dm1 n ASP 30 Cb 0.00 -1.06 -0.07 0.00 -0.64 0.00 0.00 41.12 39.35 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 4.20 4.93 -0.07 2.53 1.01 -1.26 -2.19 120.40 129.55 2dm1 s VAL 31 Ca 1.04 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 2dm1 s VAL 31 Cb -1.20 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.10 2dm1 s VAL 31 CO 0.68 -0.29 0.20 -0.69 0.00 0.00 0.00 175.10 175.00 2dm1 s VAL 32 N 2.60 5.41 -0.52 2.92 1.01 -0.32 -4.64 120.40 126.87 2dm1 s VAL 32 Ca 0.22 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 2dm1 s VAL 32 Cb -0.15 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.85 2dm1 s VAL 32 CO 0.14 0.54 0.50 -0.60 0.00 0.00 0.00 175.10 175.68 2dm1 s ARG 33 N -1.27 3.01 -0.07 2.72 3.52 -1.25 -0.05 118.95 125.57 2dm1 s ARG 33 Ca 0.20 -1.43 -0.32 0.00 -0.13 0.00 0.00 55.73 54.04 2dm1 s ARG 33 Cb -0.13 -4.21 -0.10 0.00 -1.56 0.00 0.00 34.95 28.95 2dm1 s ARG 33 CO 0.09 -1.22 1.96 -0.89 -0.81 0.00 0.00 175.30 174.43 2dm1 n ILE 34 N 5.30 0.62 -0.09 4.11 5.41 0.34 -3.65 119.36 131.41 2dm1 n ILE 34 Ca -0.12 -0.16 -0.18 0.00 1.00 0.00 0.00 62.75 63.29 2dm1 n ILE 34 Cb 0.42 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 37.19 2dm1 n ILE 34 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dm1 n TYR 35 N 7.58 0.00 -4.76 1.39 4.01 0.81 -4.72 117.16 121.47 2dm1 n TYR 35 Ca 0.23 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.64 2dm1 n TYR 35 Cb 0.35 -0.64 -0.13 0.00 -0.31 0.00 0.00 39.34 38.61 2dm1 n TYR 35 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2dm1 s SER 36 N -6.50 4.22 -0.24 7.72 1.04 -1.10 -4.97 113.70 113.86 2dm1 s SER 36 Ca -0.25 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2dm1 s SER 36 Cb 0.09 -1.24 -0.18 0.00 0.10 0.00 0.00 66.02 64.79 2dm1 s SER 36 CO 0.32 0.28 -0.16 0.54 0.98 0.00 0.00 173.24 175.20 2dm1 n ARG 37 N 2.79 0.66 -4.51 4.02 1.74 -1.26 -2.84 116.66 117.26 2dm1 n ARG 37 Ca -0.18 0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 2dm1 n ARG 37 Cb 0.53 -1.53 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2dm1 s ILE 38 N -2.52 1.86 0.00 0.55 -5.25 -1.26 -4.76 121.20 109.82 2dm1 s ILE 38 Ca -0.32 -2.11 0.00 0.00 -0.99 0.00 0.00 60.65 57.23 2dm1 s ILE 38 Cb 0.09 -2.68 0.00 0.00 2.95 0.00 0.00 42.46 42.82 2dm1 s ILE 38 CO 0.63 -0.17 0.00 0.61 -1.79 0.00 0.00 174.94 174.23 2dm1 n GLY 39 N -0.75 3.81 0.00 6.27 0.00 -1.26 -5.05 105.19 108.21 2dm1 n GLY 39 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 1.72 3.65 -0.02 0.00 -1.26 -5.09 105.19 104.19 2dm1 n GLY 40 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 2dm1 n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm1 s ASP 41 N -1.00 2.07 -0.67 1.61 2.15 -1.26 -4.93 116.67 114.64 2dm1 s ASP 41 Ca 0.00 0.99 -0.27 0.00 0.43 0.00 0.00 52.55 53.70 2dm1 s ASP 41 Cb 0.00 -1.53 0.02 0.00 -0.30 0.00 0.00 42.92 41.11 2dm1 s ASP 41 CO 0.00 -3.46 1.36 -1.10 -0.17 0.00 0.00 175.17 171.80 2dm1 s GLN 42 N -5.11 3.19 0.00 4.34 -1.52 -1.26 -3.34 119.66 115.97 2dm1 s GLN 42 Ca 0.67 0.05 0.00 0.00 -1.95 0.00 0.00 55.36 54.13 2dm1 s GLN 42 Cb -0.16 -4.17 0.00 0.00 -0.22 0.00 0.00 33.01 28.46 2dm1 s GLN 42 CO 0.57 -2.11 0.00 0.41 -0.25 0.00 0.00 175.29 173.91 2dm1 n GLY 43 N 5.35 1.48 2.91 3.09 0.00 -1.26 -5.12 105.19 111.64 2dm1 n GLY 43 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 0.30 0.23 1.61 0.52 -1.21 -3.55 118.94 114.84 2dm1 s TRP 44 Ca 0.00 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.13 2dm1 s TRP 44 Cb 0.00 -0.22 -0.05 0.00 -1.15 0.00 0.00 33.47 32.05 2dm1 s TRP 44 CO 0.00 -0.02 -0.07 -1.58 0.02 0.00 0.00 176.95 175.30 2dm1 s TRP 45 N 0.05 1.68 -0.22 -1.98 0.51 -1.18 -4.71 118.94 113.09 2dm1 s TRP 45 Ca -0.00 -0.74 -0.01 0.00 -2.12 0.00 0.00 56.10 53.22 2dm1 s TRP 45 Cb -0.03 -0.91 0.02 0.00 -0.81 0.00 0.00 33.47 31.74 2dm1 s TRP 45 CO -0.00 0.18 -0.09 0.21 -0.51 0.00 0.00 176.95 176.73 2dm1 s LYS 46 N -3.75 2.99 0.00 4.98 2.20 -1.13 -2.25 119.74 122.78 2dm1 s LYS 46 Ca 0.26 -0.87 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 2dm1 s LYS 46 Cb 0.03 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2dm1 s LYS 46 CO 0.08 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2dm1 n GLY 47 N 4.68 6.46 3.46 5.54 0.00 -1.23 -0.13 105.19 123.96 2dm1 n GLY 47 Ca -0.18 -1.77 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 1.31 0.54 0.01 1.61 2.12 -1.24 -3.80 118.70 119.26 2dm1 s GLU 48 Ca 0.00 1.27 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 2dm1 s GLU 48 Cb 0.00 0.69 -0.00 0.00 0.26 0.00 0.00 34.13 35.08 2dm1 s GLU 48 CO 0.00 -0.33 0.13 -0.08 -0.54 0.00 0.00 175.26 174.44 2dm1 s THR 49 N 2.85 0.10 -1.16 -1.70 -1.32 -0.55 -3.79 115.64 110.06 2dm1 s THR 49 Ca 0.02 -0.80 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 2dm1 s THR 49 Cb -0.13 -0.58 0.09 0.00 -1.51 0.00 0.00 72.50 70.37 2dm1 s THR 49 CO -0.19 -0.44 0.40 -3.20 -2.21 0.00 0.00 174.62 168.98 2dm1 n ASN 50 N 1.22 -2.93 -2.42 8.08 5.15 -1.26 0.55 115.26 123.66 2dm1 n ASN 50 Ca -0.22 -0.36 -0.17 0.00 -0.60 0.00 0.00 54.58 53.24 2dm1 n ASN 50 Cb 0.56 -2.48 0.04 0.00 -0.53 0.00 0.00 39.78 37.37 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dm1 n GLY 51 N -1.02 -0.17 2.87 8.20 0.00 -1.26 -5.02 105.19 108.78 2dm1 n GLY 51 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.57 0.61 0.01 1.61 1.81 0.19 -5.15 118.95 112.46 2dm1 s ARG 52 Ca 0.29 -0.04 0.07 0.00 -1.72 0.00 0.00 55.73 54.33 2dm1 s ARG 52 Cb -0.13 -0.67 -0.02 0.00 -0.45 0.00 0.00 34.95 33.68 2dm1 s ARG 52 CO 0.36 -0.09 -0.22 0.42 -0.68 0.00 0.00 175.30 175.08 2dm1 s ILE 53 N 0.89 1.78 -3.65 1.52 1.01 -1.26 -1.48 121.20 120.01 2dm1 s ILE 53 Ca -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2dm1 s ILE 53 Cb -0.14 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2dm1 s ILE 53 CO -0.00 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2dm1 n GLY 54 N 2.23 -1.72 3.64 6.18 0.00 -1.25 -4.83 105.19 109.44 2dm1 n GLY 54 Ca -0.16 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.67 3.31 0.04 1.61 0.52 0.81 -3.56 118.94 119.01 2dm1 s TRP 55 Ca 0.00 0.96 0.08 0.00 0.02 0.00 0.00 56.10 57.16 2dm1 s TRP 55 Cb 0.00 -2.92 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 2dm1 s TRP 55 CO 0.00 -0.34 -0.23 -0.59 0.02 0.00 0.00 176.95 175.81 2dm1 s PHE 56 N 2.57 1.99 -0.11 -1.98 -0.12 -0.95 -1.35 117.98 118.03 2dm1 s PHE 56 Ca 0.30 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.50 2dm1 s PHE 56 Cb -0.15 -1.19 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 2dm1 s PHE 56 CO 0.08 0.10 1.53 -1.25 -0.05 0.00 0.00 175.22 175.63 2dm1 s PRO 57 N -1.19 4.15 0.35 1.99 0.04 -1.26 -3.11 135.00 135.97 2dm1 s PRO 57 Ca 0.09 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2dm1 s PRO 57 Cb -0.09 -3.92 0.65 0.00 0.04 0.00 0.00 34.50 31.17 2dm1 s PRO 57 CO 0.02 -0.85 1.87 0.66 0.04 0.00 0.00 177.00 178.73 2dm1 h SER 58 N 9.26 0.37 0.00 6.66 4.64 -1.90 -1.94 113.55 130.63 2dm1 h SER 58 Ca -0.35 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2dm1 h SER 58 Cb 1.15 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2dm1 h SER 58 CO 0.96 0.51 0.01 0.71 -0.87 0.00 0.00 176.83 178.16 2dm1 h THR 59 N 0.37 0.00 0.00 2.95 1.35 -1.91 0.13 112.91 115.80 2dm1 h THR 59 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2dm1 h THR 59 Cb 0.41 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 2dm1 h THR 59 CO 0.02 0.00 -1.36 -1.22 -0.25 0.00 0.00 175.52 172.71 2dm1 n TYR 60 N -2.38 0.57 -4.52 4.73 4.02 -0.73 -4.96 117.16 113.89 2dm1 n TYR 60 Ca -0.02 0.17 -0.30 0.00 -0.01 0.00 0.00 57.90 57.74 2dm1 n TYR 60 Cb 0.05 -0.76 -0.07 0.00 -0.02 0.00 0.00 39.34 38.55 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 -3.41 1.45 -0.05 -0.72 -7.23 0.45 -1.50 120.40 109.40 2dm1 s VAL 61 Ca -0.03 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2dm1 s VAL 61 Cb 0.12 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2dm1 s VAL 61 CO 0.83 0.00 0.11 -0.70 -0.31 0.00 0.00 175.10 175.04 2dm1 s GLU 62 N -3.94 0.10 -0.85 4.82 2.12 -0.64 -4.86 118.70 115.44 2dm1 s GLU 62 Ca 0.18 0.24 -0.25 0.00 0.36 0.00 0.00 54.97 55.49 2dm1 s GLU 62 Cb 0.02 -0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.36 2dm1 s GLU 62 CO 0.10 -0.09 1.55 -1.21 -0.54 0.00 0.00 175.26 175.07 2dm1 s GLU 63 N 0.58 3.14 0.42 4.30 2.02 -1.26 -0.20 118.70 127.70 2dm1 s GLU 63 Ca -0.04 -0.45 -0.21 0.00 0.02 0.00 0.00 54.97 54.29 2dm1 s GLU 63 Cb -0.06 -4.80 -0.15 0.00 0.10 0.00 0.00 34.13 29.21 2dm1 s GLU 63 CO -0.03 -2.48 0.12 0.39 0.02 0.00 0.00 175.26 173.28 2dm1 n GLU 64 N 9.08 0.06 -3.52 1.61 -0.58 -1.20 -4.98 120.64 121.12 2dm1 n GLU 64 Ca 0.23 0.02 -0.20 0.00 -0.42 0.00 0.00 57.16 56.80 2dm1 n GLU 64 Cb 0.50 -1.06 -0.14 0.00 -0.57 0.00 0.00 31.44 30.17 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2dm1 s GLY 65 N -1.00 0.08 0.00 0.62 0.00 -1.26 -4.88 107.32 100.88 2dm1 s GLY 65 Ca 0.60 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2dm1 s GLY 65 CO 0.62 2.06 0.00 1.39 0.00 0.00 0.00 173.10 177.17 2dm1 n ILE 66 N 5.31 0.00 -2.97 0.90 2.08 -1.26 0.19 119.36 123.61 2dm1 n ILE 66 Ca -0.06 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.14 2dm1 n ILE 66 Cb 0.49 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.43 2dm1 n ILE 66 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 2dm1 n GLN 67 N -2.11 -4.14 -1.34 0.38 7.27 -1.26 -5.01 117.38 111.17 2dm1 n GLN 67 Ca 0.00 0.47 -0.30 0.00 0.07 0.00 0.00 57.00 57.24 2dm1 n GLN 67 Cb 0.39 -4.40 0.12 0.00 2.41 0.00 0.00 30.24 28.76 2dm1 n GLN 67 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2dm1 s SER 68 N -3.45 3.77 0.00 1.69 0.15 0.51 -5.05 113.70 111.32 2dm1 s SER 68 Ca 0.18 1.37 0.00 0.00 0.70 0.00 0.00 55.95 58.20 2dm1 s SER 68 Cb -0.08 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2dm1 s SER 68 CO 0.41 -2.44 0.00 0.61 1.20 0.00 0.00 173.24 173.02 2dm1 n GLY 69 N -1.53 2.12 0.21 9.45 0.00 -1.26 -4.86 105.19 109.31 2dm1 n GLY 69 Ca 0.07 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.53 2dm1 n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm1 h PRO 70 N 0.00 0.00 -6.22 1.61 0.13 -2.05 -3.43 132.00 122.04 2dm1 h PRO 70 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dm1 h PRO 70 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2dm1 h PRO 70 CO 0.00 0.28 1.31 0.45 -0.23 0.00 0.00 178.00 179.81 2dm1 s SER 71 N -6.38 6.11 1.00 1.44 0.15 -1.26 -4.93 113.70 109.83 2dm1 s SER 71 Ca -0.01 2.26 -0.19 0.00 0.70 0.00 0.00 55.95 58.72 2dm1 s SER 71 Cb 0.12 -2.52 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 2dm1 s SER 71 CO 0.66 -1.39 -0.65 -1.54 1.20 0.00 0.00 173.24 171.52 2dm1 n SER 72 N 9.06 -4.14 0.00 5.45 3.41 -1.26 -5.12 113.62 121.02 2dm1 n SER 72 Ca 0.23 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2dm1 n SER 72 Cb 0.43 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49