#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 6.26 0.14 1.61 0.15 -1.26 -4.90 113.70 115.70 2dm1 s SER 2 Ca 0.00 -1.60 -0.12 0.00 0.70 0.00 0.00 55.95 54.92 2dm1 s SER 2 Cb 0.00 -2.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2dm1 s SER 2 CO 0.00 -1.05 1.58 -1.28 1.20 0.00 0.00 173.24 173.69 2dm1 h SER 3 N 9.03 0.85 0.00 5.45 0.87 -2.11 -3.46 113.55 124.18 2dm1 h SER 3 Ca -0.23 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2dm1 h SER 3 Cb 1.08 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2dm1 h SER 3 CO 1.07 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 178.95 2dm1 n GLY 4 N -0.32 1.12 3.64 5.77 0.00 -1.26 -4.79 105.19 109.35 2dm1 n GLY 4 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2dm1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm1 s SER 5 N 0.00 -1.09 0.16 1.61 0.15 -1.26 -5.17 113.70 108.10 2dm1 s SER 5 Ca 0.00 1.55 -0.23 0.00 0.70 0.00 0.00 55.95 57.96 2dm1 s SER 5 Cb 0.00 2.09 0.06 0.00 -1.71 0.00 0.00 66.02 66.46 2dm1 s SER 5 CO 0.00 -0.22 0.69 -0.94 1.20 0.00 0.00 173.24 173.97 2dm1 s SER 6 N 2.61 -0.44 0.00 5.45 1.04 -1.26 -5.17 113.70 115.93 2dm1 s SER 6 Ca -0.07 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2dm1 s SER 6 Cb -0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2dm1 s SER 6 CO -0.19 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.63 2dm1 n GLY 7 N -0.39 0.52 2.61 7.32 0.00 -1.26 -5.08 105.19 108.91 2dm1 n GLY 7 Ca -0.12 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.65 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 0.00 -0.51 3.13 -0.02 0.00 -1.26 -4.84 105.19 101.69 2dm1 n GLY 8 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.21 0.74 0.19 2.61 -4.23 -1.26 -0.41 115.64 110.07 2dm1 s THR 9 Ca 0.25 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.33 2dm1 s THR 9 Cb -0.03 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 2dm1 s THR 9 CO 0.48 -0.53 -0.03 0.00 -0.54 0.00 0.00 174.62 174.00 2dm1 s ALA 10 N -2.19 1.59 -0.06 3.99 0.00 -0.04 -1.54 121.76 123.51 2dm1 s ALA 10 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.36 2dm1 s ALA 10 Cb -0.04 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 2dm1 s ALA 10 CO -0.01 -0.23 -0.22 0.08 0.00 0.00 0.00 175.76 175.39 2dm1 s VAL 11 N -3.46 1.80 -0.14 0.00 1.01 0.59 -1.42 120.40 118.77 2dm1 s VAL 11 Ca 0.24 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2dm1 s VAL 11 Cb 0.05 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2dm1 s VAL 11 CO 0.05 0.51 1.80 0.00 0.00 0.00 0.00 175.10 177.46 2dm1 s ALA 12 N 0.04 3.28 -0.17 5.51 0.00 -0.72 -0.25 121.76 129.45 2dm1 s ALA 12 Ca -0.07 0.77 0.20 0.00 0.00 0.00 0.00 51.96 52.86 2dm1 s ALA 12 Cb -0.14 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 19.02 2dm1 s ALA 12 CO 0.04 -1.95 0.89 0.54 0.00 0.00 0.00 175.76 175.28 2dm1 n ARG 13 N 7.76 0.62 -3.75 0.00 5.12 -0.24 -1.59 116.66 124.58 2dm1 n ARG 13 Ca 0.21 0.13 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 2dm1 n ARG 13 Cb 0.44 -1.79 -0.09 0.00 -1.16 0.00 0.00 32.46 29.86 2dm1 n ARG 13 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2dm1 s TYR 14 N -3.19 -0.30 0.46 -1.55 2.02 -1.14 -4.89 117.35 108.76 2dm1 s TYR 14 Ca -0.02 0.64 -0.25 0.00 -0.37 0.00 0.00 57.07 57.07 2dm1 s TYR 14 Cb 0.09 0.13 -0.08 0.00 -0.40 0.00 0.00 41.96 41.70 2dm1 s TYR 14 CO 0.81 -0.30 1.41 -0.80 -1.57 0.00 0.00 175.55 175.10 2dm1 s ASN 15 N -0.57 5.86 -0.19 2.29 -0.87 -1.26 -4.57 114.94 115.63 2dm1 s ASN 15 Ca -0.07 2.88 -0.09 0.00 -1.57 0.00 0.00 52.86 54.01 2dm1 s ASN 15 Cb -0.04 -2.65 0.07 0.00 -0.02 0.00 0.00 41.25 38.61 2dm1 s ASN 15 CO 0.03 -1.18 0.45 0.12 -2.57 0.00 0.00 177.10 173.94 2dm1 s PHE 16 N -1.22 -0.72 -0.24 2.20 5.36 0.98 -4.98 117.98 119.36 2dm1 s PHE 16 Ca 0.62 1.46 -0.10 0.00 -0.96 0.00 0.00 56.93 57.95 2dm1 s PHE 16 Cb -0.43 0.33 -0.05 0.00 -0.34 0.00 0.00 43.02 42.53 2dm1 s PHE 16 CO 0.55 -0.41 0.15 0.00 -1.46 0.00 0.00 175.22 174.05 2dm1 s ALA 17 N 1.76 3.58 0.28 11.12 0.00 -1.26 -0.46 121.76 136.77 2dm1 s ALA 17 Ca -0.08 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2dm1 s ALA 17 Cb -0.09 -2.29 -0.12 0.00 0.00 0.00 0.00 23.12 20.62 2dm1 s ALA 17 CO -0.14 -0.18 1.59 0.00 0.00 0.00 0.00 175.76 177.03 2dm1 n ALA 18 N 4.27 2.43 -0.02 0.00 0.00 -1.26 -4.92 120.51 121.00 2dm1 n ALA 18 Ca -0.15 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.51 2dm1 n ALA 18 Cb 0.52 -2.45 -0.09 0.00 0.00 0.00 0.00 19.45 17.43 2dm1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm1 h ARG 19 N 4.95 0.53 -5.00 0.00 3.08 -1.94 -3.47 114.38 112.53 2dm1 h ARG 19 Ca -0.46 -0.44 -0.33 0.00 0.07 0.00 0.00 59.98 58.81 2dm1 h ARG 19 Cb 1.23 0.10 -0.14 0.00 0.08 0.00 0.00 29.97 31.23 2dm1 h ARG 19 CO 0.81 1.07 -0.68 -0.51 -1.07 0.00 0.00 179.97 179.59 2dm1 s ASP 20 N -6.72 1.66 0.65 7.04 1.11 -1.26 -5.00 116.67 114.15 2dm1 s ASP 20 Ca -0.13 -1.12 0.24 0.00 0.18 0.00 0.00 52.55 51.72 2dm1 s ASP 20 Cb 0.06 0.03 1.28 0.00 1.07 0.00 0.00 42.92 45.36 2dm1 s ASP 20 CO 0.83 -0.45 1.73 0.00 1.18 0.00 0.00 175.17 178.45 2dm1 h MET 21 N 2.65 0.00 -0.08 8.23 -0.00 -2.00 0.12 114.93 123.85 2dm1 h MET 21 Ca -0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.28 2dm1 h MET 21 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.80 2dm1 h MET 21 CO 0.64 0.00 -0.13 0.00 -0.00 0.00 0.00 176.91 177.41 2dm1 h ARG 22 N 0.00 0.23 -7.33 -0.10 3.08 -1.94 -3.45 114.38 104.86 2dm1 h ARG 22 Ca 0.04 -0.14 -0.49 0.00 0.07 0.00 0.00 59.98 59.46 2dm1 h ARG 22 Cb 1.05 0.01 0.14 0.00 0.08 0.00 0.00 29.97 31.25 2dm1 h ARG 22 CO -0.00 0.71 0.27 -1.21 -1.07 0.00 0.00 179.97 178.68 2dm1 s GLU 23 N -4.06 1.59 -0.08 0.04 8.01 0.42 -0.56 118.70 124.06 2dm1 s GLU 23 Ca -0.15 0.91 0.05 0.00 0.01 0.00 0.00 54.97 55.79 2dm1 s GLU 23 Cb 0.03 -1.84 -0.01 0.00 -4.31 0.00 0.00 34.13 28.01 2dm1 s GLU 23 CO 0.73 -2.03 -0.24 -1.17 0.01 0.00 0.00 175.26 172.56 2dm1 s LEU 24 N -6.11 2.10 0.71 1.80 2.96 0.27 -4.42 118.68 115.99 2dm1 s LEU 24 Ca 0.63 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.88 2dm1 s LEU 24 Cb -0.17 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.14 2dm1 s LEU 24 CO 0.56 0.21 1.10 -0.55 -1.32 0.00 0.00 176.35 176.35 2dm1 s SER 25 N 0.07 4.89 -0.05 3.68 0.15 -1.26 -4.49 113.70 116.70 2dm1 s SER 25 Ca -0.11 1.90 -0.03 0.00 0.70 0.00 0.00 55.95 58.41 2dm1 s SER 25 Cb -0.16 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2dm1 s SER 25 CO 0.06 -1.77 0.11 -0.76 1.20 0.00 0.00 173.24 172.08 2dm1 s LEU 26 N -5.34 1.24 0.08 3.45 1.43 0.39 -4.95 118.68 114.98 2dm1 s LEU 26 Ca 0.64 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.05 2dm1 s LEU 26 Cb -0.18 0.31 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 2dm1 s LEU 26 CO 0.48 -0.09 -0.24 -0.60 0.23 0.00 0.00 176.35 176.14 2dm1 s ARG 27 N 0.55 1.43 -0.66 1.70 3.52 -1.26 -0.01 118.95 124.22 2dm1 s ARG 27 Ca -0.04 -1.16 -0.30 0.00 -0.13 0.00 0.00 55.73 54.09 2dm1 s ARG 27 Cb -0.06 -1.72 -0.14 0.00 -1.56 0.00 0.00 34.95 31.47 2dm1 s ARG 27 CO -0.02 0.42 2.47 0.39 -0.81 0.00 0.00 175.30 177.75 2dm1 n GLU 28 N 1.36 0.62 0.00 5.12 1.02 -1.26 0.18 120.64 127.69 2dm1 n GLU 28 Ca -0.18 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2dm1 n GLU 28 Cb 0.53 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 6.35 1.83 3.64 0.62 0.00 -0.62 -4.99 105.19 112.02 2dm1 n GLY 29 Ca 0.50 -0.54 -0.58 0.00 0.00 0.00 0.00 46.02 45.39 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 0.05 2.02 -4.53 1.61 9.92 0.13 -4.42 116.55 121.32 2dm1 n ASP 30 Ca 0.00 0.96 -0.43 0.00 -0.53 0.00 0.00 54.79 54.79 2dm1 n ASP 30 Cb 0.00 -1.09 -0.07 0.00 -0.64 0.00 0.00 41.12 39.32 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 4.25 4.83 0.04 2.53 1.01 -1.26 -1.75 120.40 130.05 2dm1 s VAL 31 Ca 1.03 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 2dm1 s VAL 31 Cb -1.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 30.99 2dm1 s VAL 31 CO 0.66 -0.54 0.31 -0.69 0.00 0.00 0.00 175.10 174.83 2dm1 s VAL 32 N 2.83 5.24 -0.46 2.92 1.01 -0.51 -4.68 120.40 126.75 2dm1 s VAL 32 Ca 0.24 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.26 2dm1 s VAL 32 Cb -0.14 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2dm1 s VAL 32 CO 0.18 0.30 0.37 -0.60 0.00 0.00 0.00 175.10 175.35 2dm1 s ARG 33 N -1.94 2.88 -0.46 2.72 3.52 -1.18 -0.86 118.95 123.63 2dm1 s ARG 33 Ca 0.31 -1.40 -0.26 0.00 -0.13 0.00 0.00 55.73 54.24 2dm1 s ARG 33 Cb -0.13 -4.05 -0.06 0.00 -1.56 0.00 0.00 34.95 29.15 2dm1 s ARG 33 CO 0.18 -1.03 2.30 0.42 -0.81 0.00 0.00 175.30 176.37 2dm1 s ILE 34 N 1.58 3.06 -0.14 4.11 1.01 0.45 -3.68 121.20 127.59 2dm1 s ILE 34 Ca 0.04 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 2dm1 s ILE 34 Cb -0.24 -3.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.95 2dm1 s ILE 34 CO 0.05 -0.12 0.33 1.88 0.00 0.00 0.00 174.94 177.08 2dm1 h TYR 35 N 18.23 0.00 -4.02 3.97 0.05 -1.02 -3.45 116.97 130.73 2dm1 h TYR 35 Ca -0.27 0.00 -0.40 0.00 0.05 0.00 0.00 58.73 58.11 2dm1 h TYR 35 Cb 1.25 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 38.74 2dm1 h TYR 35 CO 0.97 0.65 -0.78 0.45 -1.05 0.00 0.00 178.16 178.40 2dm1 s SER 36 N -6.06 1.34 -0.20 3.88 0.15 -1.13 -5.01 113.70 106.68 2dm1 s SER 36 Ca -0.14 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.07 2dm1 s SER 36 Cb -0.00 -0.08 -0.20 0.00 -1.71 0.00 0.00 66.02 64.02 2dm1 s SER 36 CO 0.40 0.02 0.04 0.54 1.20 0.00 0.00 173.24 175.44 2dm1 n ARG 37 N 2.11 0.68 -1.40 5.44 1.74 -1.26 -2.08 116.66 121.89 2dm1 n ARG 37 Ca -0.17 0.25 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 2dm1 n ARG 37 Cb 0.55 -1.62 0.15 0.00 -1.02 0.00 0.00 32.46 30.53 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 2.00 0.00 0.55 -5.25 -1.26 -4.54 121.20 110.18 2dm1 s ILE 38 Ca -0.30 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.36 2dm1 s ILE 38 Cb 0.08 -2.66 0.00 0.00 2.95 0.00 0.00 42.46 42.84 2dm1 s ILE 38 CO 0.66 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.42 2dm1 n GLY 39 N -1.80 1.49 2.04 6.27 0.00 -1.26 -4.84 105.19 107.09 2dm1 n GLY 39 Ca 0.06 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.97 3.28 -0.02 0.00 -1.26 -4.93 105.19 99.30 2dm1 n GLY 40 Ca 0.00 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.27 -3.16 -4.50 1.61 8.00 -1.26 -4.62 116.55 108.35 2dm1 n ASP 41 Ca 0.09 0.54 -0.43 0.00 0.71 0.00 0.00 54.79 55.70 2dm1 n ASP 41 Cb 0.35 -0.98 -0.07 0.00 -0.02 0.00 0.00 41.12 40.40 2dm1 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm1 n GLN 42 N 0.83 0.84 0.00 -1.24 1.13 -1.26 -1.16 117.38 116.51 2dm1 n GLN 42 Ca 0.07 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 2dm1 n GLN 42 Cb 0.50 -2.61 0.00 0.00 0.11 0.00 0.00 30.24 28.24 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dm1 n GLY 43 N 6.32 3.90 3.72 1.08 0.00 -1.26 -5.10 105.19 113.84 2dm1 n GLY 43 Ca 0.45 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.14 0.36 1.61 0.52 -0.31 -3.96 118.94 120.30 2dm1 s TRP 44 Ca 0.00 0.81 0.01 0.00 0.02 0.00 0.00 56.10 56.94 2dm1 s TRP 44 Cb 0.00 -3.81 0.01 0.00 -1.15 0.00 0.00 33.47 28.52 2dm1 s TRP 44 CO 0.00 -2.88 0.07 0.91 0.02 0.00 0.00 176.95 175.07 2dm1 n TRP 45 N 3.79 0.38 -3.81 -1.98 8.01 -0.48 -4.30 117.44 119.04 2dm1 n TRP 45 Ca 0.12 -1.70 -0.25 0.00 -1.31 0.00 0.00 57.50 54.36 2dm1 n TRP 45 Cb 0.40 -0.25 -0.17 0.00 -2.01 0.00 0.00 31.31 29.28 2dm1 n TRP 45 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 2dm1 s LYS 46 N -3.34 0.95 0.00 -0.99 2.20 -0.88 -1.73 119.74 115.95 2dm1 s LYS 46 Ca 0.06 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2dm1 s LYS 46 Cb -0.00 -1.45 0.00 0.00 -1.51 0.00 0.00 37.83 34.86 2dm1 s LYS 46 CO 0.04 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2dm1 n GLY 47 N 5.04 5.38 3.44 5.54 0.00 -1.22 -0.45 105.19 122.92 2dm1 n GLY 47 Ca -0.09 -1.45 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 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 1.06 0.74 -0.18 1.61 2.12 -1.24 -3.62 118.70 119.20 2dm1 s GLU 48 Ca 0.00 0.51 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2dm1 s GLU 48 Cb 0.00 0.35 0.13 0.00 0.26 0.00 0.00 34.13 34.87 2dm1 s GLU 48 CO 0.00 -0.15 1.01 -0.08 -0.54 0.00 0.00 175.26 175.50 2dm1 s THR 49 N -0.28 0.00 -0.95 -1.70 -1.32 -0.67 -3.11 115.64 107.61 2dm1 s THR 49 Ca -0.05 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.40 2dm1 s THR 49 Cb -0.03 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2dm1 s THR 49 CO 0.03 0.00 0.16 0.59 -2.21 0.00 0.00 174.62 173.19 2dm1 n ASN 50 N 0.90 -3.31 -1.22 8.08 3.02 -1.26 0.68 115.26 122.14 2dm1 n ASN 50 Ca -0.10 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.39 2dm1 n ASN 50 Cb 0.58 -2.81 -0.01 0.00 -0.61 0.00 0.00 39.78 36.92 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 -0.87 -0.01 3.01 7.41 0.00 -1.26 -5.02 105.19 108.46 2dm1 n GLY 51 Ca -0.08 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.45 1.96 0.15 1.61 1.81 0.21 -5.14 118.95 115.11 2dm1 s ARG 52 Ca 0.00 -0.46 0.10 0.00 -1.72 0.00 0.00 55.73 53.65 2dm1 s ARG 52 Cb 0.00 -1.73 -0.04 0.00 -0.45 0.00 0.00 34.95 32.73 2dm1 s ARG 52 CO 0.00 -0.10 -0.21 0.42 -0.68 0.00 0.00 175.30 174.74 2dm1 s ILE 53 N 1.10 2.61 -5.00 1.52 1.01 -1.26 -1.67 121.20 119.51 2dm1 s ILE 53 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 58.84 2dm1 s ILE 53 Cb -0.14 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2dm1 s ILE 53 CO -0.02 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2dm1 n GLY 54 N 0.53 -0.41 3.62 6.18 0.00 -1.24 -4.73 105.19 109.15 2dm1 n GLY 54 Ca -0.14 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.93 3.27 0.05 1.61 0.52 0.28 -3.38 118.94 118.37 2dm1 s TRP 55 Ca 0.00 0.28 0.07 0.00 0.02 0.00 0.00 56.10 56.47 2dm1 s TRP 55 Cb 0.00 -2.41 -0.03 0.00 -1.15 0.00 0.00 33.47 29.89 2dm1 s TRP 55 CO 0.00 -0.09 -0.20 -0.59 0.02 0.00 0.00 176.95 176.09 2dm1 s PHE 56 N 1.56 1.72 0.97 -1.98 -0.71 -0.71 -0.56 117.98 118.27 2dm1 s PHE 56 Ca 0.10 -0.38 -0.12 0.00 -1.04 0.00 0.00 56.93 55.49 2dm1 s PHE 56 Cb -0.15 -1.01 0.17 0.00 -1.21 0.00 0.00 43.02 40.82 2dm1 s PHE 56 CO 0.08 0.10 1.09 -1.25 -1.34 0.00 0.00 175.22 173.91 2dm1 s PRO 57 N -1.29 0.70 -0.03 1.99 0.04 -1.26 -1.38 135.00 133.76 2dm1 s PRO 57 Ca 0.06 0.62 0.13 0.00 0.04 0.00 0.00 61.00 61.85 2dm1 s PRO 57 Cb -0.09 -1.76 -0.20 0.00 0.04 0.00 0.00 34.50 32.49 2dm1 s PRO 57 CO 0.02 -2.57 0.26 -1.13 0.04 0.00 0.00 177.00 173.62 2dm1 n SER 58 N -4.08 1.90 0.21 6.66 3.41 -1.25 -4.35 113.62 116.12 2dm1 n SER 58 Ca 0.06 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.76 2dm1 n SER 58 Cb 0.57 1.52 0.41 0.00 -0.26 0.00 0.00 64.21 66.44 2dm1 n SER 58 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2dm1 h THR 59 N 0.00 0.62 0.00 6.66 1.35 -1.94 -2.84 112.91 116.75 2dm1 h THR 59 Ca -0.04 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2dm1 h THR 59 Cb 0.77 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2dm1 h THR 59 CO 0.00 0.25 -0.59 1.88 -0.25 0.00 0.00 175.52 176.82 2dm1 h TYR 60 N 0.00 0.00 -2.02 4.73 -1.99 -1.94 -3.47 116.97 112.28 2dm1 h TYR 60 Ca -0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 2dm1 h TYR 60 Cb 0.80 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.40 2dm1 h TYR 60 CO 0.00 0.00 -0.69 0.14 -0.00 0.00 0.00 178.16 177.61 2dm1 s VAL 61 N -3.30 2.44 -0.12 -2.88 -7.23 -1.07 -1.08 120.40 107.17 2dm1 s VAL 61 Ca 0.03 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.01 2dm1 s VAL 61 Cb 0.08 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2dm1 s VAL 61 CO 0.74 -0.27 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.38 2dm1 s GLU 62 N -3.61 3.21 -0.48 4.82 2.12 0.66 -4.82 118.70 120.60 2dm1 s GLU 62 Ca 0.32 -0.78 -0.28 0.00 0.36 0.00 0.00 54.97 54.59 2dm1 s GLU 62 Cb -0.01 -2.49 0.01 0.00 0.26 0.00 0.00 34.13 31.90 2dm1 s GLU 62 CO 0.17 0.16 1.45 -1.21 -0.54 0.00 0.00 175.26 175.29 2dm1 s GLU 63 N 0.43 3.40 1.01 4.30 2.02 -1.26 -0.30 118.70 128.31 2dm1 s GLU 63 Ca -0.13 0.75 -0.12 0.00 0.02 0.00 0.00 54.97 55.49 2dm1 s GLU 63 Cb -0.17 -4.09 0.18 0.00 0.10 0.00 0.00 34.13 30.15 2dm1 s GLU 63 CO 0.06 -1.79 0.97 0.39 0.02 0.00 0.00 175.26 174.91 2dm1 n GLU 64 N 8.39 -1.14 0.00 1.61 1.02 -0.59 -4.99 120.64 124.95 2dm1 n GLU 64 Ca 0.15 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2dm1 n GLU 64 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2dm1 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm1 n GLY 65 N 0.72 3.15 3.63 0.62 0.00 -1.26 -4.81 105.19 107.24 2dm1 n GLY 65 Ca 0.08 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2dm1 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dm1 n ILE 66 N -1.02 2.47 -4.19 -0.61 -5.35 -1.26 -5.00 119.36 104.40 2dm1 n ILE 66 Ca 0.00 -0.50 -0.22 0.00 -0.27 0.00 0.00 62.75 61.76 2dm1 n ILE 66 Cb 0.00 -1.26 -0.06 0.00 -1.74 0.00 0.00 39.64 36.59 2dm1 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dm1 s GLN 67 N -2.05 2.60 0.01 6.28 -2.07 -1.26 -5.14 119.66 118.02 2dm1 s GLN 67 Ca 0.63 -1.26 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 2dm1 s GLN 67 Cb -0.55 -2.35 -0.01 0.00 -1.09 0.00 0.00 33.01 29.01 2dm1 s GLN 67 CO 0.57 0.36 -0.03 -1.54 -1.32 0.00 0.00 175.29 173.33 2dm1 s SER 68 N -3.77 0.29 0.00 12.60 1.04 -1.26 -5.12 113.70 117.48 2dm1 s SER 68 Ca 0.33 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2dm1 s SER 68 Cb -0.07 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2dm1 s SER 68 CO 0.22 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2dm1 n GLY 69 N 2.44 0.88 3.68 7.32 0.00 -1.26 -5.07 105.19 113.18 2dm1 n GLY 69 Ca -0.17 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2dm1 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm1 s PRO 70 N -1.73 4.24 -0.13 1.61 0.04 -1.26 -4.94 135.00 132.84 2dm1 s PRO 70 Ca 0.00 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2dm1 s PRO 70 Cb 0.00 -3.70 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 2dm1 s PRO 70 CO 0.00 -0.67 0.16 1.03 0.04 0.00 0.00 177.00 177.55 2dm1 h SER 71 N 8.34 0.00 -3.57 6.66 0.87 -2.02 -3.47 113.55 120.36 2dm1 h SER 71 Ca -0.37 -0.28 -0.67 0.00 -1.23 0.00 0.00 61.79 59.24 2dm1 h SER 71 Cb 1.17 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.97 2dm1 h SER 71 CO 0.93 0.77 -0.73 -0.44 -0.53 0.00 0.00 176.83 176.83 2dm1 s SER 72 N -5.88 4.49 0.00 6.23 0.01 -1.26 -5.28 113.70 112.01 2dm1 s SER 72 Ca -0.11 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2dm1 s SER 72 Cb 0.00 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2dm1 s SER 72 CO 0.26 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.73