#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 -3.73 -0.09 1.61 2.88 -1.26 -4.95 113.62 108.08 2dm1 n SER 2 Ca 0.00 -0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.13 2dm1 n SER 2 Cb 0.00 -2.95 -0.04 0.00 -0.75 0.00 0.00 64.21 60.47 2dm1 n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dm1 h SER 3 N -1.34 0.43 0.00 -3.46 4.64 -2.12 -3.49 113.55 108.21 2dm1 h SER 3 Ca -0.31 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2dm1 h SER 3 Cb 1.19 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2dm1 h SER 3 CO 0.29 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 2dm1 n GLY 4 N -0.40 0.00 2.89 -0.77 0.00 -1.26 -5.05 105.19 100.60 2dm1 n GLY 4 Ca -0.03 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2dm1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm1 s SER 5 N -4.00 4.11 -0.16 1.61 0.01 -1.26 -5.11 113.70 108.90 2dm1 s SER 5 Ca 0.00 -1.56 -0.08 0.00 1.31 0.00 0.00 55.95 55.62 2dm1 s SER 5 Cb 0.00 -1.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 2dm1 s SER 5 CO 0.00 -0.33 0.12 -0.44 0.41 0.00 0.00 173.24 173.00 2dm1 s SER 6 N 1.35 6.15 0.16 2.44 0.01 -1.26 -5.09 113.70 117.47 2dm1 s SER 6 Ca 0.03 0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.60 2dm1 s SER 6 Cb -0.18 -2.04 -0.00 0.00 0.21 0.00 0.00 66.02 64.01 2dm1 s SER 6 CO -0.12 0.27 0.18 0.61 0.41 0.00 0.00 173.24 174.59 2dm1 n GLY 7 N 2.88 3.06 1.69 3.44 0.00 -1.26 -5.08 105.19 109.93 2dm1 n GLY 7 Ca -0.18 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.28 -3.15 3.15 -0.02 0.00 -1.26 -4.66 105.19 98.97 2dm1 n GLY 8 Ca 0.02 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.22 0.01 0.09 2.61 -4.23 -1.26 0.17 115.64 112.80 2dm1 s THR 9 Ca -0.01 -0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 2dm1 s THR 9 Cb 0.00 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 2dm1 s THR 9 CO 0.13 -0.04 -0.14 0.00 -0.54 0.00 0.00 174.62 174.03 2dm1 s ALA 10 N -0.03 1.27 -0.08 3.99 0.00 -0.13 -1.90 121.76 124.88 2dm1 s ALA 10 Ca -0.02 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2dm1 s ALA 10 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2dm1 s ALA 10 CO 0.01 0.15 -0.18 0.54 0.00 0.00 0.00 175.76 176.27 2dm1 s VAL 11 N -1.54 2.67 -0.28 0.00 0.11 -0.86 -0.16 120.40 120.33 2dm1 s VAL 11 Ca 0.01 -0.83 -0.29 0.00 -2.93 0.00 0.00 61.98 57.94 2dm1 s VAL 11 Cb -0.08 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.69 2dm1 s VAL 11 CO 0.02 0.56 1.78 0.00 -3.33 0.00 0.00 175.10 174.13 2dm1 s ALA 12 N -0.13 2.99 -2.21 1.54 0.00 -0.32 -0.90 121.76 122.73 2dm1 s ALA 12 Ca -0.03 0.38 0.27 0.00 0.00 0.00 0.00 51.96 52.59 2dm1 s ALA 12 Cb -0.14 -3.97 0.89 0.00 0.00 0.00 0.00 23.12 19.90 2dm1 s ALA 12 CO 0.04 -2.42 1.65 0.54 0.00 0.00 0.00 175.76 175.56 2dm1 n ARG 13 N 8.22 1.34 -3.71 0.00 5.12 -0.82 -1.86 116.66 124.96 2dm1 n ARG 13 Ca 0.22 -0.80 -0.14 0.00 -1.93 0.00 0.00 57.85 55.20 2dm1 n ARG 13 Cb 0.46 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.19 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 -2.21 -0.41 -0.17 -1.55 2.02 -1.22 -4.95 117.35 108.86 2dm1 s TYR 14 Ca 0.32 0.92 -0.29 0.00 -0.37 0.00 0.00 57.07 57.65 2dm1 s TYR 14 Cb 0.20 0.17 -0.04 0.00 -0.40 0.00 0.00 41.96 41.89 2dm1 s TYR 14 CO 0.41 -0.31 1.65 0.54 -1.57 0.00 0.00 175.55 176.27 2dm1 s ASN 15 N -0.34 6.42 -0.09 2.29 4.22 -1.26 -4.51 114.94 121.67 2dm1 s ASN 15 Ca -0.05 1.82 0.04 0.00 -2.14 0.00 0.00 52.86 52.53 2dm1 s ASN 15 Cb -0.03 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 39.97 2dm1 s ASN 15 CO 0.03 -1.19 -0.21 0.12 -2.04 0.00 0.00 177.10 173.81 2dm1 s PHE 16 N 4.99 2.30 -0.23 1.54 5.36 0.65 -5.01 117.98 127.58 2dm1 s PHE 16 Ca 0.73 -0.94 -0.10 0.00 -0.96 0.00 0.00 56.93 55.67 2dm1 s PHE 16 Cb -0.28 -1.56 -0.05 0.00 -0.34 0.00 0.00 43.02 40.80 2dm1 s PHE 16 CO 0.29 -0.39 0.13 0.00 -1.46 0.00 0.00 175.22 173.79 2dm1 s ALA 17 N 0.44 3.52 -0.06 11.12 0.00 -1.26 -1.10 121.76 134.41 2dm1 s ALA 17 Ca -0.18 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 2dm1 s ALA 17 Cb -0.17 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 2dm1 s ALA 17 CO 0.07 -0.14 1.84 0.00 0.00 0.00 0.00 175.76 177.53 2dm1 s ALA 18 N 0.96 3.44 0.17 0.00 0.00 -1.26 -4.87 121.76 120.21 2dm1 s ALA 18 Ca 0.06 1.00 0.10 0.00 0.00 0.00 0.00 51.96 53.12 2dm1 s ALA 18 Cb -0.13 -3.84 0.11 0.00 0.00 0.00 0.00 23.12 19.25 2dm1 s ALA 18 CO 0.03 -1.72 1.46 0.07 0.00 0.00 0.00 175.76 175.61 2dm1 h ARG 19 N 10.79 0.00 -4.84 0.00 0.11 -1.94 -3.46 114.38 115.04 2dm1 h ARG 19 Ca -0.43 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.38 2dm1 h ARG 19 Cb 1.20 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.14 2dm1 h ARG 19 CO 0.96 0.77 -0.71 0.34 0.10 0.00 0.00 179.97 181.43 2dm1 s ASP 20 N -6.74 1.43 0.14 0.08 2.15 -1.26 -5.05 116.67 107.42 2dm1 s ASP 20 Ca 0.00 -1.00 -0.22 0.00 0.43 0.00 0.00 52.55 51.76 2dm1 s ASP 20 Cb 0.11 0.05 -0.01 0.00 -0.30 0.00 0.00 42.92 42.77 2dm1 s ASP 20 CO 0.78 -0.40 1.66 0.00 -0.17 0.00 0.00 175.17 177.04 2dm1 h MET 21 N 2.90 -0.20 -1.08 4.34 -0.00 -2.02 -0.65 114.93 118.23 2dm1 h MET 21 Ca -0.36 0.01 0.30 0.00 -0.00 0.00 0.00 59.70 59.65 2dm1 h MET 21 Cb 1.18 0.04 -0.07 0.00 -0.00 0.00 0.00 31.60 32.75 2dm1 h MET 21 CO 0.64 -0.13 0.73 0.00 -0.00 0.00 0.00 176.91 178.15 2dm1 h ARG 22 N -0.20 0.22 -7.41 -0.10 3.08 -1.96 -3.41 114.38 104.59 2dm1 h ARG 22 Ca 0.11 -0.01 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 2dm1 h ARG 22 Cb 0.36 -0.05 0.15 0.00 0.08 0.00 0.00 29.97 30.51 2dm1 h ARG 22 CO -0.28 0.14 0.24 -1.21 -1.07 0.00 0.00 179.97 177.80 2dm1 s GLU 23 N -5.26 0.78 -0.06 0.04 0.41 -0.25 -0.54 118.70 113.82 2dm1 s GLU 23 Ca -0.07 0.45 0.02 0.00 -0.41 0.00 0.00 54.97 54.95 2dm1 s GLU 23 Cb 0.24 -1.78 0.02 0.00 -1.78 0.00 0.00 34.13 30.82 2dm1 s GLU 23 CO 0.80 -2.47 -0.10 -1.17 -0.49 0.00 0.00 175.26 171.82 2dm1 s LEU 24 N -6.27 1.56 0.48 1.80 2.96 0.21 -4.42 118.68 115.01 2dm1 s LEU 24 Ca 0.64 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2dm1 s LEU 24 Cb -0.17 -0.75 -0.07 0.00 0.50 0.00 0.00 46.19 45.70 2dm1 s LEU 24 CO 0.56 0.01 1.10 -0.94 -1.32 0.00 0.00 176.35 175.75 2dm1 s SER 25 N 0.77 6.18 -0.03 3.68 1.04 -1.26 -4.56 113.70 119.51 2dm1 s SER 25 Ca -0.13 2.11 0.01 0.00 0.48 0.00 0.00 55.95 58.42 2dm1 s SER 25 Cb -0.15 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.40 2dm1 s SER 25 CO 0.02 -0.90 -0.04 -0.76 0.98 0.00 0.00 173.24 172.54 2dm1 s LEU 26 N -3.34 1.44 0.07 2.42 1.43 -0.26 -4.97 118.68 115.47 2dm1 s LEU 26 Ca 0.67 -0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 2dm1 s LEU 26 Cb -0.22 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2dm1 s LEU 26 CO 0.26 -0.04 -0.20 -0.60 0.23 0.00 0.00 176.35 176.01 2dm1 s ARG 27 N 0.71 1.90 -0.37 1.70 3.52 -1.26 -0.25 118.95 124.90 2dm1 s ARG 27 Ca -0.09 -1.08 -0.37 0.00 -0.13 0.00 0.00 55.73 54.06 2dm1 s ARG 27 Cb -0.12 -2.11 -0.13 0.00 -1.56 0.00 0.00 34.95 31.03 2dm1 s ARG 27 CO -0.00 0.51 2.17 0.39 -0.81 0.00 0.00 175.30 177.56 2dm1 n GLU 28 N 1.36 0.91 0.00 5.12 1.02 -1.26 0.21 120.64 128.00 2dm1 n GLU 28 Ca -0.16 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2dm1 n GLU 28 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 6.62 1.90 3.62 0.62 0.00 -0.78 -5.03 105.19 112.14 2dm1 n GLY 29 Ca 0.43 -0.19 -0.48 0.00 0.00 0.00 0.00 46.02 45.79 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 0.09 1.99 -4.40 1.61 9.92 0.13 -4.67 116.55 121.22 2dm1 n ASP 30 Ca 0.00 1.13 -0.38 0.00 -0.53 0.00 0.00 54.79 55.01 2dm1 n ASP 30 Cb 0.00 -1.30 -0.12 0.00 -0.64 0.00 0.00 41.12 39.06 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 0.05 4.33 -0.22 2.53 1.01 -1.26 -1.18 120.40 125.66 2dm1 s VAL 31 Ca 0.74 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2dm1 s VAL 31 Cb -0.79 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2dm1 s VAL 31 CO 0.49 0.07 0.11 -0.69 0.00 0.00 0.00 175.10 175.07 2dm1 s VAL 32 N 1.56 4.93 -0.02 2.92 1.01 0.78 -4.55 120.40 127.02 2dm1 s VAL 32 Ca 0.04 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 2dm1 s VAL 32 Cb -0.17 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 2dm1 s VAL 32 CO 0.05 0.38 0.94 -0.13 0.00 0.00 0.00 175.10 176.34 2dm1 s ARG 33 N 0.98 4.53 -0.45 2.72 3.00 -1.22 -0.95 118.95 127.56 2dm1 s ARG 33 Ca 0.06 1.34 -0.28 0.00 0.00 0.00 0.00 55.73 56.84 2dm1 s ARG 33 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 34.95 31.37 2dm1 s ARG 33 CO 0.03 -0.07 1.07 0.42 0.00 0.00 0.00 175.30 176.75 2dm1 s ILE 34 N 1.10 4.33 -0.22 1.52 -1.09 0.13 -3.06 121.20 123.90 2dm1 s ILE 34 Ca 0.49 1.17 -0.16 0.00 -2.23 0.00 0.00 60.65 59.92 2dm1 s ILE 34 Cb -0.20 -4.52 -0.12 0.00 -1.58 0.00 0.00 42.46 36.03 2dm1 s ILE 34 CO 0.25 -0.88 -0.15 -1.22 -1.23 0.00 0.00 174.94 171.72 2dm1 n TYR 35 N 7.50 0.46 -4.60 3.97 4.01 -0.52 -4.72 117.16 123.25 2dm1 n TYR 35 Ca 0.10 0.20 -0.26 0.00 -0.16 0.00 0.00 57.90 57.79 2dm1 n TYR 35 Cb 0.49 -0.92 -0.14 0.00 -0.31 0.00 0.00 39.34 38.46 2dm1 n TYR 35 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2dm1 s SER 36 N -6.78 2.52 -0.24 7.72 0.01 -1.16 -5.03 113.70 110.74 2dm1 s SER 36 Ca -0.31 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 56.37 2dm1 s SER 36 Cb 0.08 -0.20 -0.13 0.00 0.21 0.00 0.00 66.02 65.98 2dm1 s SER 36 CO 0.47 0.15 -0.25 0.54 0.41 0.00 0.00 173.24 174.56 2dm1 n ARG 37 N 1.73 0.55 -3.30 12.44 1.74 -1.26 -2.88 116.66 125.68 2dm1 n ARG 37 Ca -0.17 0.17 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 2dm1 n ARG 37 Cb 0.53 -1.42 -0.00 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.45 3.53 0.00 0.55 -5.25 -1.26 -4.68 121.20 111.63 2dm1 s ILE 38 Ca -0.32 -1.03 0.00 0.00 -0.99 0.00 0.00 60.65 58.30 2dm1 s ILE 38 Cb 0.10 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.30 2dm1 s ILE 38 CO 0.49 -0.08 0.00 0.61 -1.79 0.00 0.00 174.94 174.16 2dm1 n GLY 39 N -1.71 2.19 0.00 6.27 0.00 -1.26 -5.01 105.19 105.67 2dm1 n GLY 39 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.50 3.92 -0.02 0.00 -1.26 -5.10 105.19 103.23 2dm1 n GLY 40 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.34 5.33 -0.17 1.61 -1.08 -1.26 -4.96 116.67 116.48 2dm1 s ASP 41 Ca 0.00 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.68 2dm1 s ASP 41 Cb 0.00 -1.52 0.17 0.00 -1.46 0.00 0.00 42.92 40.12 2dm1 s ASP 41 CO 0.00 -1.25 1.61 0.00 0.52 0.00 0.00 175.17 176.04 2dm1 n GLN 42 N -2.72 1.44 0.00 4.34 6.02 -1.26 -3.98 117.38 121.22 2dm1 n GLN 42 Ca 0.06 -0.95 0.00 0.00 -0.01 0.00 0.00 57.00 56.10 2dm1 n GLN 42 Cb 0.58 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dm1 n GLY 43 N 0.35 0.25 3.74 1.08 0.00 -1.26 -5.13 105.19 104.21 2dm1 n GLY 43 Ca 0.18 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.07 2.25 0.27 1.61 0.52 -1.26 -4.25 118.94 117.02 2dm1 s TRP 44 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 56.10 57.72 2dm1 s TRP 44 Cb 0.00 -3.40 -0.01 0.00 -1.15 0.00 0.00 33.47 28.90 2dm1 s TRP 44 CO 0.00 -2.31 0.12 0.91 0.02 0.00 0.00 176.95 175.69 2dm1 n TRP 45 N -2.41 -0.03 -3.68 -1.98 8.01 -1.13 -4.74 117.44 111.48 2dm1 n TRP 45 Ca 0.13 -1.82 -0.26 0.00 -1.31 0.00 0.00 57.50 54.23 2dm1 n TRP 45 Cb 0.50 0.04 -0.17 0.00 -2.01 0.00 0.00 31.31 29.67 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 -3.04 0.36 0.00 -0.99 2.20 -1.14 -2.82 119.74 114.31 2dm1 s LYS 46 Ca 0.17 -0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 2dm1 s LYS 46 Cb 0.01 -1.88 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2dm1 s LYS 46 CO 0.12 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2dm1 n GLY 47 N 5.17 5.72 3.33 5.54 0.00 -1.23 -1.44 105.19 122.28 2dm1 n GLY 47 Ca -0.08 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.07 0.41 -0.13 1.61 2.12 -1.17 -3.50 118.70 117.97 2dm1 s GLU 48 Ca 0.00 0.98 -0.11 0.00 0.36 0.00 0.00 54.97 56.19 2dm1 s GLU 48 Cb 0.00 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.62 2dm1 s GLU 48 CO 0.00 -0.20 0.34 -0.08 -0.54 0.00 0.00 175.26 174.78 2dm1 s THR 49 N 2.02 -0.00 -1.85 -1.70 -1.32 -0.80 -3.41 115.64 108.58 2dm1 s THR 49 Ca -0.06 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2dm1 s THR 49 Cb -0.10 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 2dm1 s THR 49 CO -0.14 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.07 2dm1 n ASN 50 N 2.96 -5.88 -1.25 8.08 5.15 -1.26 -1.59 115.26 121.47 2dm1 n ASN 50 Ca -0.13 0.05 -0.09 0.00 -0.60 0.00 0.00 54.58 53.80 2dm1 n ASN 50 Cb 0.58 -4.93 0.01 0.00 -0.53 0.00 0.00 39.78 34.90 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 -0.94 0.10 2.90 8.20 0.00 -1.26 -5.03 105.19 109.16 2dm1 n GLY 51 Ca -0.24 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.77 1.12 -0.06 1.61 0.52 -0.62 -5.14 118.95 111.61 2dm1 s ARG 52 Ca 0.07 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 2dm1 s ARG 52 Cb -0.03 -1.14 -0.02 0.00 0.52 0.00 0.00 34.95 34.28 2dm1 s ARG 52 CO 0.09 -0.14 -0.17 0.42 0.02 0.00 0.00 175.30 175.52 2dm1 s ILE 53 N 1.22 2.76 -2.39 1.52 1.01 -1.26 -1.90 121.20 122.15 2dm1 s ILE 53 Ca -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.77 2dm1 s ILE 53 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.26 2dm1 s ILE 53 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2dm1 n GLY 54 N 2.63 -1.63 3.74 6.18 0.00 -1.23 -4.86 105.19 110.02 2dm1 n GLY 54 Ca -0.17 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.52 3.64 0.02 1.61 0.52 0.30 -3.49 118.94 119.01 2dm1 s TRP 55 Ca 0.00 1.24 0.02 0.00 0.02 0.00 0.00 56.10 57.39 2dm1 s TRP 55 Cb 0.00 -2.72 -0.01 0.00 -1.15 0.00 0.00 33.47 29.59 2dm1 s TRP 55 CO 0.00 0.22 -0.07 -0.59 0.02 0.00 0.00 176.95 176.53 2dm1 s PHE 56 N 0.29 0.63 -0.05 -1.98 -0.71 -1.13 -0.62 117.98 114.42 2dm1 s PHE 56 Ca 0.35 -0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 55.67 2dm1 s PHE 56 Cb -0.18 -0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 41.19 2dm1 s PHE 56 CO 0.18 -0.03 1.48 -1.25 -1.34 0.00 0.00 175.22 174.26 2dm1 s PRO 57 N -0.75 4.23 0.00 1.99 0.04 -1.26 -2.86 135.00 136.39 2dm1 s PRO 57 Ca -0.02 2.01 0.16 0.00 0.04 0.00 0.00 61.00 63.19 2dm1 s PRO 57 Cb -0.06 -3.76 0.77 0.00 0.04 0.00 0.00 34.50 31.49 2dm1 s PRO 57 CO 0.00 -0.71 1.48 -1.13 0.04 0.00 0.00 177.00 176.68 2dm1 n SER 58 N 6.26 0.00 0.06 6.66 3.41 -1.26 -2.40 113.62 126.35 2dm1 n SER 58 Ca 0.15 0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.88 2dm1 n SER 58 Cb 0.43 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.53 -0.06 6.66 1.35 -1.90 -3.22 112.91 117.28 2dm1 h THR 59 Ca 0.00 -3.23 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 2dm1 h THR 59 Cb 0.19 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2dm1 h THR 59 CO 0.00 0.89 0.00 -1.22 -0.25 0.00 0.00 175.52 174.94 2dm1 n TYR 60 N -3.35 0.08 -4.40 4.73 4.02 -1.01 -4.86 117.16 112.37 2dm1 n TYR 60 Ca -0.05 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.90 57.61 2dm1 n TYR 60 Cb 0.98 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.19 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 -1.92 1.40 -0.19 -0.72 -7.23 -1.21 -1.94 120.40 108.59 2dm1 s VAL 61 Ca 0.35 -2.08 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2dm1 s VAL 61 Cb 0.18 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.69 2dm1 s VAL 61 CO 0.28 -0.28 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.90 2dm1 s GLU 62 N -3.79 2.97 0.05 4.82 2.56 -0.08 -4.87 118.70 120.37 2dm1 s GLU 62 Ca 0.30 -0.85 -0.31 0.00 0.00 0.00 0.00 54.97 54.12 2dm1 s GLU 62 Cb 0.05 -2.61 -0.06 0.00 2.00 0.00 0.00 34.13 33.51 2dm1 s GLU 62 CO 0.11 -0.23 1.28 -1.21 -0.56 0.00 0.00 175.26 174.66 2dm1 s GLU 63 N 1.29 4.37 -0.54 4.30 8.01 -1.26 -2.03 118.70 132.85 2dm1 s GLU 63 Ca 0.04 1.87 0.02 0.00 0.01 0.00 0.00 54.97 56.91 2dm1 s GLU 63 Cb -0.13 -3.38 0.55 0.00 -4.31 0.00 0.00 34.13 26.86 2dm1 s GLU 63 CO -0.12 -0.38 1.92 0.39 0.01 0.00 0.00 175.26 177.08 2dm1 n GLU 64 N 4.29 2.48 -3.01 1.61 -0.58 -0.80 -4.75 120.64 119.88 2dm1 n GLU 64 Ca 0.10 -3.19 -0.43 0.00 -0.42 0.00 0.00 57.16 53.22 2dm1 n GLU 64 Cb 0.45 -2.21 -0.06 0.00 -0.57 0.00 0.00 31.44 29.05 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 -1.71 1.61 -0.75 0.62 0.00 -1.26 -4.26 107.32 101.58 2dm1 s GLY 65 Ca 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2dm1 s GLY 65 CO 0.05 1.73 0.00 1.39 0.00 0.00 0.00 173.10 176.26 2dm1 n ILE 66 N 5.95 -0.26 -3.33 0.90 -0.00 -1.26 -4.90 119.36 116.46 2dm1 n ILE 66 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.43 2dm1 n ILE 66 Cb 0.47 -1.04 -0.05 0.00 -0.00 0.00 0.00 39.64 39.03 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2dm1 s GLN 67 N -4.28 3.77 0.51 0.38 2.00 -1.26 -5.10 119.66 115.67 2dm1 s GLN 67 Ca 0.00 0.24 0.08 0.00 -2.00 0.00 0.00 55.36 53.69 2dm1 s GLN 67 Cb 0.00 -2.61 0.05 0.00 0.80 0.00 0.00 33.01 31.25 2dm1 s GLN 67 CO 0.00 0.25 0.69 -1.54 -0.50 0.00 0.00 175.29 174.19 2dm1 s SER 68 N -2.64 5.35 0.00 6.67 1.04 -1.26 -5.03 113.70 117.83 2dm1 s SER 68 Ca 0.47 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2dm1 s SER 68 Cb -0.11 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2dm1 s SER 68 CO 0.24 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2dm1 n GLY 69 N -2.08 -0.33 3.77 7.32 0.00 -1.26 -5.03 105.19 107.59 2dm1 n GLY 69 Ca 0.12 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 4.11 -0.22 1.61 0.04 -1.26 -5.04 135.00 134.24 2dm1 s PRO 70 Ca 0.00 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.68 2dm1 s PRO 70 Cb 0.00 -2.76 0.10 0.00 0.04 0.00 0.00 34.50 31.88 2dm1 s PRO 70 CO 0.00 -0.29 0.87 0.45 0.04 0.00 0.00 177.00 178.07 2dm1 s SER 71 N -1.00 -0.56 -0.12 6.66 0.15 -1.26 -5.09 113.70 112.47 2dm1 s SER 71 Ca 0.55 0.93 -0.11 0.00 0.70 0.00 0.00 55.95 58.03 2dm1 s SER 71 Cb -0.33 0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 2dm1 s SER 71 CO 0.41 -0.29 -0.20 -0.24 1.20 0.00 0.00 173.24 174.12 2dm1 n SER 72 N 1.87 1.43 0.00 5.45 2.88 -1.26 -5.30 113.62 118.70 2dm1 n SER 72 Ca -0.14 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2dm1 n SER 72 Cb 0.56 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2dm1 n SER 72 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42