#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 -0.32 -4.68 1.61 3.41 -1.26 -4.77 113.62 107.61 2dm1 n SER 2 Ca 0.00 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.23 2dm1 n SER 2 Cb 0.00 -1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 62.72 2dm1 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm1 s SER 3 N -3.38 6.73 0.00 4.04 0.01 -1.26 -4.64 113.70 115.21 2dm1 s SER 3 Ca 0.31 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2dm1 s SER 3 Cb -0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dm1 s SER 3 CO 0.76 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dm1 n GLY 4 N 3.86 0.89 3.83 3.44 0.00 -1.26 -4.99 105.19 110.97 2dm1 n GLY 4 Ca 0.15 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 -4.48 -4.06 1.61 7.64 -1.26 -4.98 113.62 108.08 2dm1 n SER 5 Ca 0.00 -0.75 -0.22 0.00 1.01 0.00 0.00 58.87 58.92 2dm1 n SER 5 Cb 0.00 -4.10 -0.15 0.00 -1.01 0.00 0.00 64.21 58.95 2dm1 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm1 s SER 6 N -3.48 1.49 0.00 6.43 0.01 -1.26 -5.06 113.70 111.83 2dm1 s SER 6 Ca 0.55 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.58 2dm1 s SER 6 Cb -0.27 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dm1 s SER 6 CO 0.81 0.12 0.00 0.61 0.41 0.00 0.00 173.24 175.20 2dm1 n GLY 7 N 3.00 -1.53 3.76 3.44 0.00 -1.26 -5.15 105.19 107.45 2dm1 n GLY 7 Ca -0.16 0.75 -0.40 0.00 0.00 0.00 0.00 46.02 46.21 2dm1 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dm1 s GLY 8 N 0.00 3.03 0.02 -0.02 0.00 -1.25 -4.92 107.32 104.17 2dm1 s GLY 8 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 44.72 45.66 2dm1 s GLY 8 CO 0.00 1.53 -0.03 -0.51 0.00 0.00 0.00 173.10 174.09 2dm1 s THR 9 N -1.21 0.12 0.26 0.90 -4.23 -1.26 0.14 115.64 110.36 2dm1 s THR 9 Ca 0.47 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 2dm1 s THR 9 Cb -0.32 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2dm1 s THR 9 CO 0.42 -0.50 0.18 0.00 -0.54 0.00 0.00 174.62 174.17 2dm1 s ALA 10 N -1.48 1.54 -0.07 3.99 0.00 0.98 -3.81 121.76 122.91 2dm1 s ALA 10 Ca -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2dm1 s ALA 10 Cb -0.10 1.36 0.02 0.00 0.00 0.00 0.00 23.12 24.41 2dm1 s ALA 10 CO -0.01 -0.59 -0.05 0.08 0.00 0.00 0.00 175.76 175.18 2dm1 s VAL 11 N -3.83 0.73 0.03 0.00 1.01 0.17 -1.66 120.40 116.84 2dm1 s VAL 11 Ca 0.39 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2dm1 s VAL 11 Cb 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.58 2dm1 s VAL 11 CO 0.18 0.29 1.99 0.00 0.00 0.00 0.00 175.10 177.55 2dm1 n ALA 12 N 4.50 1.58 0.82 5.51 0.00 -1.01 -1.05 120.51 130.86 2dm1 n ALA 12 Ca -0.17 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.58 2dm1 n ALA 12 Cb 0.51 -2.69 0.06 0.00 0.00 0.00 0.00 19.45 17.33 2dm1 n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm1 n ARG 13 N 7.57 0.12 -3.70 0.00 5.12 0.82 -1.35 116.66 125.24 2dm1 n ARG 13 Ca 0.20 -0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.99 2dm1 n ARG 13 Cb 0.41 -1.54 -0.09 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.08 -0.50 0.12 -1.55 2.02 -1.17 -4.94 117.35 108.25 2dm1 s TYR 14 Ca 0.07 1.16 -0.31 0.00 -0.37 0.00 0.00 57.07 57.62 2dm1 s TYR 14 Cb 0.16 0.19 -0.09 0.00 -0.40 0.00 0.00 41.96 41.82 2dm1 s TYR 14 CO 0.78 -0.31 1.59 -0.80 -1.57 0.00 0.00 175.55 175.25 2dm1 s ASN 15 N -0.08 6.61 -0.15 2.29 0.01 -1.26 -4.49 114.94 117.86 2dm1 s ASN 15 Ca -0.03 2.54 -0.01 0.00 -0.71 0.00 0.00 52.86 54.65 2dm1 s ASN 15 Cb -0.03 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.09 2dm1 s ASN 15 CO 0.02 -0.84 -0.02 0.12 -1.51 0.00 0.00 177.10 174.86 2dm1 s PHE 16 N 1.79 1.34 -0.46 2.20 5.36 0.52 -4.99 117.98 123.74 2dm1 s PHE 16 Ca 0.71 -0.84 -0.19 0.00 -0.96 0.00 0.00 56.93 55.65 2dm1 s PHE 16 Cb -0.42 -1.15 0.04 0.00 -0.34 0.00 0.00 43.02 41.15 2dm1 s PHE 16 CO 0.32 -0.55 0.59 0.00 -1.46 0.00 0.00 175.22 174.11 2dm1 s ALA 17 N 1.75 3.38 0.13 11.12 0.00 -1.26 -0.21 121.76 136.67 2dm1 s ALA 17 Ca 0.01 -1.47 -0.31 0.00 0.00 0.00 0.00 51.96 50.19 2dm1 s ALA 17 Cb -0.15 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2dm1 s ALA 17 CO -0.07 -1.83 1.76 0.00 0.00 0.00 0.00 175.76 175.62 2dm1 s ALA 18 N 2.61 3.78 -0.06 0.00 0.00 -1.26 -4.91 121.76 121.92 2dm1 s ALA 18 Ca 0.18 1.43 -0.21 0.00 0.00 0.00 0.00 51.96 53.35 2dm1 s ALA 18 Cb -0.17 -3.73 -0.30 0.00 0.00 0.00 0.00 23.12 18.92 2dm1 s ALA 18 CO 0.15 -1.12 0.82 0.07 0.00 0.00 0.00 175.76 175.69 2dm1 h ARG 19 N 8.09 0.28 -6.19 0.00 0.11 -1.95 -3.47 114.38 111.24 2dm1 h ARG 19 Ca -0.45 -0.47 -0.47 0.00 0.10 0.00 0.00 59.98 58.69 2dm1 h ARG 19 Cb 1.21 0.18 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 2dm1 h ARG 19 CO 0.94 1.23 -0.46 -0.51 0.10 0.00 0.00 179.97 181.27 2dm1 s ASP 20 N -6.96 6.07 0.13 0.08 1.01 -1.26 -5.03 116.67 110.72 2dm1 s ASP 20 Ca -0.15 -0.03 -0.19 0.00 0.71 0.00 0.00 52.55 52.89 2dm1 s ASP 20 Cb 0.01 -1.72 -0.05 0.00 1.01 0.00 0.00 42.92 42.17 2dm1 s ASP 20 CO 0.81 -0.06 1.77 0.24 0.21 0.00 0.00 175.17 178.14 2dm1 h MET 21 N 1.27 0.26 -0.59 8.23 2.86 -2.00 -2.95 114.93 122.01 2dm1 h MET 21 Ca -0.51 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.22 2dm1 h MET 21 Cb 1.23 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.72 2dm1 h MET 21 CO 0.61 0.18 -0.36 0.00 1.06 0.00 0.00 176.91 178.39 2dm1 h ARG 22 N 0.27 -0.17 -6.72 1.72 2.47 -1.96 -3.42 114.38 106.58 2dm1 h ARG 22 Ca 0.09 0.01 -0.37 0.00 -1.26 0.00 0.00 59.98 58.44 2dm1 h ARG 22 Cb -0.01 0.04 0.20 0.00 -1.65 0.00 0.00 29.97 28.56 2dm1 h ARG 22 CO -0.04 -0.11 -0.40 0.39 0.56 0.00 0.00 179.97 180.37 2dm1 n GLU 23 N -5.43 -2.94 -3.95 0.04 1.02 -1.12 -0.13 120.64 108.13 2dm1 n GLU 23 Ca 0.04 -0.86 -0.20 0.00 -0.02 0.00 0.00 57.16 56.12 2dm1 n GLU 23 Cb 0.35 -1.83 -0.17 0.00 -0.02 0.00 0.00 31.44 29.78 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dm1 s LEU 24 N -4.34 1.02 0.24 -4.62 2.96 0.78 -4.04 118.68 110.68 2dm1 s LEU 24 Ca 0.58 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.12 2dm1 s LEU 24 Cb -0.14 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.10 2dm1 s LEU 24 CO 0.56 -0.12 1.27 -0.94 -1.32 0.00 0.00 176.35 175.80 2dm1 s SER 25 N 1.29 6.94 -0.02 3.68 1.04 -1.26 -4.55 113.70 120.82 2dm1 s SER 25 Ca -0.06 2.43 0.08 0.00 0.48 0.00 0.00 55.95 58.88 2dm1 s SER 25 Cb -0.13 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.35 2dm1 s SER 25 CO -0.02 -0.46 -0.25 -0.76 0.98 0.00 0.00 173.24 172.73 2dm1 s LEU 26 N -0.71 2.05 -0.05 2.42 1.43 0.71 -4.94 118.68 119.59 2dm1 s LEU 26 Ca 0.53 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.23 2dm1 s LEU 26 Cb -0.36 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2dm1 s LEU 26 CO 0.42 0.31 -0.23 -0.60 0.23 0.00 0.00 176.35 176.47 2dm1 s ARG 27 N -0.62 2.33 -0.42 1.70 6.06 -1.26 -0.35 118.95 126.39 2dm1 s ARG 27 Ca 0.10 -0.84 -0.41 0.00 -2.50 0.00 0.00 55.73 52.08 2dm1 s ARG 27 Cb -0.10 -2.01 -0.16 0.00 0.06 0.00 0.00 34.95 32.74 2dm1 s ARG 27 CO -0.01 0.37 2.05 0.39 -2.50 0.00 0.00 175.30 175.60 2dm1 n GLU 28 N 2.94 0.49 0.00 5.12 1.02 -1.26 0.67 120.64 129.61 2dm1 n GLU 28 Ca -0.17 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2dm1 n GLU 28 Cb 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 6.42 2.71 3.64 0.62 0.00 -0.45 -4.96 105.19 113.17 2dm1 n GLY 29 Ca 0.45 -0.59 -0.56 0.00 0.00 0.00 0.00 46.02 45.31 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 0.40 1.76 -4.69 1.61 9.92 0.21 -4.51 116.55 121.26 2dm1 n ASP 30 Ca 0.00 1.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.97 2dm1 n ASP 30 Cb 0.00 -1.12 -0.05 0.00 -0.64 0.00 0.00 41.12 39.31 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 1.86 5.02 -0.15 2.53 1.01 -1.26 -2.39 120.40 127.02 2dm1 s VAL 31 Ca 0.92 1.33 0.01 0.00 0.00 0.00 0.00 61.98 64.24 2dm1 s VAL 31 Cb -1.07 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 31.31 2dm1 s VAL 31 CO 0.58 0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 175.00 2dm1 s VAL 32 N 1.41 2.58 -0.54 2.92 1.01 -0.66 -4.64 120.40 122.48 2dm1 s VAL 32 Ca 0.33 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 2dm1 s VAL 32 Cb -0.17 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2dm1 s VAL 32 CO 0.14 0.52 0.83 -0.13 0.00 0.00 0.00 175.10 176.46 2dm1 s ARG 33 N 0.79 3.25 -0.43 2.72 0.52 -1.24 -0.01 118.95 124.54 2dm1 s ARG 33 Ca -0.06 -0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.37 2dm1 s ARG 33 Cb -0.15 -4.07 -0.07 0.00 0.52 0.00 0.00 34.95 31.17 2dm1 s ARG 33 CO 0.00 -1.40 2.37 -0.89 0.02 0.00 0.00 175.30 175.40 2dm1 n ILE 34 N 5.98 0.03 0.00 1.52 5.41 0.36 -4.04 119.36 128.63 2dm1 n ILE 34 Ca -0.01 -0.67 -0.05 0.00 1.00 0.00 0.00 62.75 63.01 2dm1 n ILE 34 Cb 0.47 -2.63 -0.04 0.00 -0.71 0.00 0.00 39.64 36.72 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 18.01 -0.11 -4.22 1.39 0.05 -0.86 -3.32 116.97 127.91 2dm1 h TYR 35 Ca -0.28 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.94 2dm1 h TYR 35 Cb 1.27 0.04 -0.30 0.00 1.01 0.00 0.00 36.73 38.74 2dm1 h TYR 35 CO 0.96 0.14 -0.84 -1.12 -1.05 0.00 0.00 178.16 176.25 2dm1 s SER 36 N -5.54 2.14 -0.26 3.88 0.01 -1.12 -5.00 113.70 107.82 2dm1 s SER 36 Ca -0.06 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 56.85 2dm1 s SER 36 Cb -0.00 -0.34 -0.17 0.00 0.21 0.00 0.00 66.02 65.72 2dm1 s SER 36 CO 0.22 0.20 -0.22 0.54 0.41 0.00 0.00 173.24 174.39 2dm1 n ARG 37 N 2.77 0.64 -2.30 12.44 1.74 -1.26 -2.26 116.66 128.43 2dm1 n ARG 37 Ca -0.16 0.17 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 2dm1 n ARG 37 Cb 0.53 -1.52 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dm1 s ILE 38 N -2.52 4.03 0.00 0.55 1.01 -1.26 -4.77 121.20 118.24 2dm1 s ILE 38 Ca -0.35 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2dm1 s ILE 38 Cb 0.10 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2dm1 s ILE 38 CO 0.59 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2dm1 n GLY 39 N 3.70 4.40 3.72 6.18 0.00 -1.26 -5.03 105.19 116.90 2dm1 n GLY 39 Ca 0.14 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.81 -1.68 3.58 -0.02 0.00 -1.26 -4.72 105.19 99.29 2dm1 n GLY 40 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dm1 n ASP 41 N -2.65 -0.52 -4.65 1.61 2.03 -1.26 -4.84 116.55 106.27 2dm1 n ASP 41 Ca 0.00 0.27 -0.44 0.00 0.52 0.00 0.00 54.79 55.14 2dm1 n ASP 41 Cb 0.26 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 39.25 2dm1 n ASP 41 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2dm1 n GLN 42 N -3.98 2.53 0.00 -0.67 -0.06 -1.26 -2.17 117.38 111.76 2dm1 n GLN 42 Ca 0.09 0.90 0.00 0.00 -2.00 0.00 0.00 57.00 55.99 2dm1 n GLN 42 Cb 0.53 -2.93 0.00 0.00 -4.06 0.00 0.00 30.24 23.78 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dm1 n GLY 43 N 4.72 3.12 3.58 1.69 0.00 -1.26 -5.02 105.19 112.02 2dm1 n GLY 43 Ca 0.23 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 2dm1 n GLY 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dm1 n TRP 44 N 0.00 1.10 -4.24 1.61 7.02 -0.92 -4.22 117.44 117.79 2dm1 n TRP 44 Ca 0.00 0.67 -0.14 0.00 -1.02 0.00 0.00 57.50 57.01 2dm1 n TRP 44 Cb 0.00 -2.22 -0.10 0.00 -2.42 0.00 0.00 31.31 26.57 2dm1 n TRP 44 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2dm1 s TRP 45 N -1.13 1.31 -0.20 -5.99 0.51 -1.13 -4.77 118.94 107.53 2dm1 s TRP 45 Ca 0.60 -1.37 -0.02 0.00 -2.12 0.00 0.00 56.10 53.19 2dm1 s TRP 45 Cb -0.67 -0.65 0.00 0.00 -0.81 0.00 0.00 33.47 31.34 2dm1 s TRP 45 CO 0.59 -0.59 -0.11 0.21 -0.51 0.00 0.00 176.95 176.54 2dm1 s LYS 46 N -4.06 3.25 0.00 4.98 2.20 -0.96 -2.67 119.74 122.48 2dm1 s LYS 46 Ca 0.39 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2dm1 s LYS 46 Cb 0.07 -2.82 0.00 0.00 -1.51 0.00 0.00 37.83 33.57 2dm1 s LYS 46 CO 0.14 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2dm1 n GLY 47 N 4.60 5.38 3.62 5.54 0.00 -1.24 -0.21 105.19 122.89 2dm1 n GLY 47 Ca -0.19 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 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 1.95 0.36 -0.29 1.61 -6.30 -1.26 -3.95 118.70 110.82 2dm1 s GLU 48 Ca 0.00 0.27 -0.21 0.00 -2.50 0.00 0.00 54.97 52.53 2dm1 s GLU 48 Cb 0.00 0.17 0.16 0.00 0.00 0.00 0.00 34.13 34.46 2dm1 s GLU 48 CO 0.00 -0.08 1.14 -0.08 0.02 0.00 0.00 175.26 176.27 2dm1 s THR 49 N -0.35 0.00 -1.14 -1.70 -1.32 -0.79 -3.72 115.64 106.62 2dm1 s THR 49 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2dm1 s THR 49 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2dm1 s THR 49 CO -0.07 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 172.93 2dm1 n ASN 50 N 2.61 -4.15 -1.27 8.08 5.03 -1.26 -2.53 115.26 121.77 2dm1 n ASN 50 Ca -0.14 -0.01 -0.10 0.00 0.87 0.00 0.00 54.58 55.20 2dm1 n ASN 50 Cb 0.57 -3.32 0.00 0.00 -1.02 0.00 0.00 39.78 36.01 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dm1 n GLY 51 N -1.02 0.01 2.98 7.41 0.00 -1.26 -5.03 105.19 108.28 2dm1 n GLY 51 Ca -0.16 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.68 1.25 0.03 1.61 0.52 -1.05 -5.14 118.95 111.50 2dm1 s ARG 52 Ca 0.04 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.02 2dm1 s ARG 52 Cb -0.02 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.32 2dm1 s ARG 52 CO 0.06 0.03 -0.18 0.42 0.02 0.00 0.00 175.30 175.64 2dm1 s ILE 53 N 0.59 1.46 -3.60 1.52 1.01 -1.26 -1.89 121.20 119.02 2dm1 s ILE 53 Ca -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.47 2dm1 s ILE 53 Cb -0.13 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.06 2dm1 s ILE 53 CO 0.02 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2dm1 n GLY 54 N 1.97 -0.54 3.59 6.18 0.00 -1.25 -4.82 105.19 110.32 2dm1 n GLY 54 Ca -0.17 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.37 3.23 0.03 1.61 0.52 0.81 -3.70 118.94 118.06 2dm1 s TRP 55 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.21 2dm1 s TRP 55 Cb 0.00 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2dm1 s TRP 55 CO 0.00 -0.05 -0.18 -0.59 0.02 0.00 0.00 176.95 176.15 2dm1 s PHE 56 N 1.15 1.56 0.18 -1.98 -0.12 -1.09 -0.16 117.98 117.52 2dm1 s PHE 56 Ca 0.06 -0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.29 2dm1 s PHE 56 Cb -0.14 -0.94 -0.08 0.00 -0.63 0.00 0.00 43.02 41.22 2dm1 s PHE 56 CO 0.05 0.05 1.32 -1.25 -0.05 0.00 0.00 175.22 175.33 2dm1 s PRO 57 N -0.98 4.38 0.39 1.99 0.04 -1.26 -2.85 135.00 136.71 2dm1 s PRO 57 Ca 0.05 2.04 0.21 0.00 0.04 0.00 0.00 61.00 63.35 2dm1 s PRO 57 Cb -0.08 -3.21 0.26 0.00 0.04 0.00 0.00 34.50 31.51 2dm1 s PRO 57 CO 0.01 -0.28 1.55 1.03 0.04 0.00 0.00 177.00 179.35 2dm1 h SER 58 N 5.66 0.00 0.73 6.66 0.87 -1.89 -3.14 113.55 122.43 2dm1 h SER 58 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dm1 h SER 58 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2dm1 h SER 58 CO 0.79 0.12 0.00 1.07 -0.53 0.00 0.00 176.83 178.28 2dm1 n THR 59 N -3.12 0.65 0.97 2.23 5.66 -1.26 -2.32 114.28 117.10 2dm1 n THR 59 Ca 0.03 0.14 0.10 0.00 -3.05 0.00 0.00 64.05 61.27 2dm1 n THR 59 Cb 0.58 -0.84 -0.08 0.00 -1.55 0.00 0.00 70.33 68.44 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 -1.61 0.00 -4.24 1.09 4.02 -1.19 -4.96 117.16 110.27 2dm1 n TYR 60 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 2dm1 n TYR 60 Cb 0.24 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.46 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 -2.79 1.29 0.10 -0.72 -7.23 -0.98 -0.13 120.40 109.93 2dm1 s VAL 61 Ca 0.11 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.55 2dm1 s VAL 61 Cb 0.16 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 2dm1 s VAL 61 CO 0.76 -0.51 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.17 2dm1 s GLU 62 N -2.96 1.88 -0.47 4.82 2.56 -0.22 -4.85 118.70 119.46 2dm1 s GLU 62 Ca 0.11 -1.12 -0.14 0.00 0.00 0.00 0.00 54.97 53.82 2dm1 s GLU 62 Cb -0.03 -2.15 0.08 0.00 2.00 0.00 0.00 34.13 34.04 2dm1 s GLU 62 CO 0.02 0.50 0.39 -1.21 -0.56 0.00 0.00 175.26 174.40 2dm1 s GLU 63 N -1.96 2.92 0.06 4.30 2.02 -1.26 0.42 118.70 125.19 2dm1 s GLU 63 Ca 0.17 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.75 2dm1 s GLU 63 Cb -0.11 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.99 2dm1 s GLU 63 CO 0.09 -1.06 0.18 -1.83 0.02 0.00 0.00 175.26 172.67 2dm1 s GLU 64 N 1.60 3.34 0.00 1.61 -1.05 -1.25 -5.03 118.70 117.92 2dm1 s GLU 64 Ca 0.04 -0.47 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2dm1 s GLU 64 Cb -0.25 -2.99 0.00 0.00 -0.44 0.00 0.00 34.13 30.45 2dm1 s GLU 64 CO 0.05 0.61 0.00 0.41 0.95 0.00 0.00 175.26 177.28 2dm1 n GLY 65 N 0.40 -0.10 3.70 -3.83 0.00 -1.26 -4.80 105.19 99.30 2dm1 n GLY 65 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2dm1 n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dm1 s ILE 66 N 0.77 2.59 -0.05 -0.61 -4.36 -1.26 -4.99 121.20 113.30 2dm1 s ILE 66 Ca 0.00 0.19 -0.25 0.00 -0.26 0.00 0.00 60.65 60.33 2dm1 s ILE 66 Cb 0.00 -2.63 -0.22 0.00 1.25 0.00 0.00 42.46 40.86 2dm1 s ILE 66 CO 0.00 -0.25 1.07 1.56 0.24 0.00 0.00 174.94 177.56 2dm1 h GLN 67 N -1.63 0.13 -5.69 0.37 4.20 -2.07 -3.41 115.11 107.01 2dm1 h GLN 67 Ca -0.50 -0.12 -0.40 0.00 0.06 0.00 0.00 58.65 57.69 2dm1 h GLN 67 Cb 1.29 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2dm1 h GLN 67 CO 0.54 0.82 1.28 0.45 -0.67 0.00 0.00 178.83 181.25 2dm1 s SER 68 N -6.15 4.64 0.72 1.46 0.15 -1.26 -4.95 113.70 108.31 2dm1 s SER 68 Ca -0.16 0.60 -0.09 0.00 0.70 0.00 0.00 55.95 57.00 2dm1 s SER 68 Cb 0.01 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2dm1 s SER 68 CO 0.72 -2.87 1.06 -0.83 1.20 0.00 0.00 173.24 172.52 2dm1 s GLY 69 N 10.58 1.63 0.96 9.45 0.00 -1.26 -5.08 107.32 123.59 2dm1 s GLY 69 Ca 0.86 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 2dm1 s GLY 69 CO 0.20 -0.28 0.85 -1.55 0.00 0.00 0.00 173.10 172.32 2dm1 n PRO 70 N -3.00 -2.68 -2.07 2.90 -0.04 -1.26 -4.96 135.00 123.88 2dm1 n PRO 70 Ca 0.07 -1.36 -0.41 0.00 -0.04 0.00 0.00 63.50 61.76 2dm1 n PRO 70 Cb 0.59 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2dm1 n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm1 s SER 71 N -3.79 6.73 -0.56 3.54 0.15 -1.26 -4.82 113.70 113.68 2dm1 s SER 71 Ca 0.55 2.58 -0.40 0.00 0.70 0.00 0.00 55.95 59.39 2dm1 s SER 71 Cb -0.05 -2.62 -0.18 0.00 -1.71 0.00 0.00 66.02 61.46 2dm1 s SER 71 CO 0.42 -0.65 2.25 -1.54 1.20 0.00 0.00 173.24 174.92 2dm1 n SER 72 N 2.50 0.96 0.00 5.45 3.41 -1.26 -5.34 113.62 119.33 2dm1 n SER 72 Ca 0.07 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2dm1 n SER 72 Cb 0.41 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49