#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 4.14 -0.03 1.61 0.15 -1.26 -5.12 113.70 113.19 2dm1 s SER 2 Ca 0.00 -0.26 0.06 0.00 0.70 0.00 0.00 55.95 56.45 2dm1 s SER 2 Cb 0.00 -1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 62.86 2dm1 s SER 2 CO 0.00 0.22 -0.23 -0.44 1.20 0.00 0.00 173.24 173.99 2dm1 s SER 3 N 0.04 2.72 0.00 5.45 0.01 -1.26 -5.07 113.70 115.60 2dm1 s SER 3 Ca -0.04 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2dm1 s SER 3 Cb -0.14 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2dm1 s SER 3 CO 0.04 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2dm1 n GLY 4 N 2.76 -3.04 3.51 3.44 0.00 -1.26 -4.94 105.19 105.66 2dm1 n GLY 4 Ca -0.17 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.67 4.82 -0.23 1.61 0.15 -1.26 -5.00 113.70 112.12 2dm1 s SER 5 Ca 0.00 -0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.48 2dm1 s SER 5 Cb 0.00 -1.74 -0.12 0.00 -1.71 0.00 0.00 66.02 62.45 2dm1 s SER 5 CO 0.00 0.19 -0.26 -1.20 1.20 0.00 0.00 173.24 173.17 2dm1 n SER 6 N 3.41 1.92 0.00 5.45 7.64 -1.26 -5.11 113.62 125.68 2dm1 n SER 6 Ca -0.17 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2dm1 n SER 6 Cb 0.53 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2dm1 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm1 n GLY 7 N 1.91 3.37 3.05 0.23 0.00 -1.26 -5.15 105.19 107.34 2dm1 n GLY 7 Ca -0.43 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.15 0.03 -0.02 0.00 -1.26 -4.79 107.32 101.12 2dm1 s GLY 8 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.77 2dm1 s GLY 8 CO 0.00 1.80 -0.09 -0.51 0.00 0.00 0.00 173.10 174.30 2dm1 s THR 9 N 2.08 0.70 0.38 0.90 -4.23 -1.26 -1.39 115.64 112.82 2dm1 s THR 9 Ca -0.02 -0.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2dm1 s THR 9 Cb -0.11 -0.67 -0.07 0.00 1.34 0.00 0.00 72.50 72.98 2dm1 s THR 9 CO -0.09 -0.09 -0.00 0.00 -0.54 0.00 0.00 174.62 173.90 2dm1 s ALA 10 N -0.81 2.95 -0.06 3.99 0.00 -0.14 -1.15 121.76 126.54 2dm1 s ALA 10 Ca -0.02 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.73 2dm1 s ALA 10 Cb -0.07 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2dm1 s ALA 10 CO 0.00 -0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.69 2dm1 s VAL 11 N -2.81 0.58 -0.47 0.00 1.01 -0.06 -1.90 120.40 116.75 2dm1 s VAL 11 Ca 0.35 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 2dm1 s VAL 11 Cb 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2dm1 s VAL 11 CO 0.17 0.26 2.07 0.00 0.00 0.00 0.00 175.10 177.60 2dm1 s ALA 12 N 1.36 2.21 -2.21 5.51 0.00 -1.09 -0.52 121.76 127.01 2dm1 s ALA 12 Ca -0.04 -0.08 0.30 0.00 0.00 0.00 0.00 51.96 52.14 2dm1 s ALA 12 Cb -0.13 -4.23 1.45 0.00 0.00 0.00 0.00 23.12 20.20 2dm1 s ALA 12 CO -0.03 -3.69 1.97 0.54 0.00 0.00 0.00 175.76 174.56 2dm1 n ARG 13 N 8.92 1.29 -3.58 0.00 5.12 -0.99 -1.75 116.66 125.68 2dm1 n ARG 13 Ca 0.27 -0.48 -0.17 0.00 -1.93 0.00 0.00 57.85 55.55 2dm1 n ARG 13 Cb 0.51 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.25 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 -2.03 -0.56 0.07 -1.55 2.02 -1.21 -4.98 117.35 109.10 2dm1 s TYR 14 Ca 0.42 0.97 -0.31 0.00 -0.37 0.00 0.00 57.07 57.78 2dm1 s TYR 14 Cb 0.21 0.33 -0.07 0.00 -0.40 0.00 0.00 41.96 42.04 2dm1 s TYR 14 CO 0.36 -0.55 1.35 -0.80 -1.57 0.00 0.00 175.55 174.34 2dm1 s ASN 15 N -1.14 6.89 -0.04 2.29 -0.87 -1.26 -4.42 114.94 116.38 2dm1 s ASN 15 Ca -0.11 2.19 0.01 0.00 -1.57 0.00 0.00 52.86 53.39 2dm1 s ASN 15 Cb -0.01 -2.58 0.02 0.00 -0.02 0.00 0.00 41.25 38.66 2dm1 s ASN 15 CO 0.08 -0.63 -0.05 0.12 -2.57 0.00 0.00 177.10 174.05 2dm1 s PHE 16 N 1.50 0.78 -0.26 2.20 5.36 -0.63 -5.02 117.98 121.90 2dm1 s PHE 16 Ca 0.63 -0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 56.26 2dm1 s PHE 16 Cb -0.34 -0.66 -0.05 0.00 -0.34 0.00 0.00 43.02 41.64 2dm1 s PHE 16 CO 0.29 -0.17 0.25 0.00 -1.46 0.00 0.00 175.22 174.13 2dm1 s ALA 17 N 0.77 3.56 -0.34 11.12 0.00 -1.26 -1.39 121.76 134.22 2dm1 s ALA 17 Ca -0.11 -0.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 2dm1 s ALA 17 Cb -0.13 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 2dm1 s ALA 17 CO 0.00 -0.44 2.25 0.00 0.00 0.00 0.00 175.76 177.58 2dm1 n ALA 18 N 4.83 1.28 -0.14 0.00 0.00 -1.26 -4.84 120.51 120.38 2dm1 n ALA 18 Ca -0.12 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.01 2dm1 n ALA 18 Cb 0.52 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 14.28 -0.18 -5.51 0.00 3.08 -1.93 -3.43 114.38 120.67 2dm1 h ARG 19 Ca -0.31 0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.17 2dm1 h ARG 19 Cb 1.28 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.24 2dm1 h ARG 19 CO 1.03 -0.12 -0.60 -0.51 -1.07 0.00 0.00 179.97 178.70 2dm1 s ASP 20 N -5.11 3.39 0.29 7.04 1.01 -1.26 -5.03 116.67 117.00 2dm1 s ASP 20 Ca -0.15 -1.38 0.01 0.00 0.71 0.00 0.00 52.55 51.75 2dm1 s ASP 20 Cb 0.15 -0.28 0.53 0.00 1.01 0.00 0.00 42.92 44.32 2dm1 s ASP 20 CO 0.69 -0.51 1.88 0.24 0.21 0.00 0.00 175.17 177.68 2dm1 h MET 21 N 1.88 1.00 -0.24 8.23 2.86 -2.03 -2.15 114.93 124.48 2dm1 h MET 21 Ca -0.43 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.18 2dm1 h MET 21 Cb 1.24 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2dm1 h MET 21 CO 0.77 0.66 0.05 0.00 1.06 0.00 0.00 176.91 179.45 2dm1 h ARG 22 N 1.03 0.14 0.00 1.72 -0.00 -1.96 -3.43 114.38 111.88 2dm1 h ARG 22 Ca 0.44 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.98 59.72 2dm1 h ARG 22 Cb 0.33 -0.03 0.12 0.00 0.00 0.00 0.00 29.97 30.38 2dm1 h ARG 22 CO -0.20 0.09 -0.10 0.39 0.00 0.00 0.00 179.97 180.16 2dm1 n GLU 23 N -5.08 -2.49 -3.78 0.04 -0.58 -0.81 -1.65 120.64 106.29 2dm1 n GLU 23 Ca -0.02 -0.78 -0.22 0.00 -0.42 0.00 0.00 57.16 55.73 2dm1 n GLU 23 Cb 0.10 -1.21 -0.17 0.00 -0.57 0.00 0.00 31.44 29.58 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dm1 s LEU 24 N 0.00 0.57 0.16 -4.62 2.96 0.18 -3.98 118.68 113.94 2dm1 s LEU 24 Ca 0.36 -0.05 -0.31 0.00 -0.22 0.00 0.00 54.13 53.92 2dm1 s LEU 24 Cb -0.06 -0.36 -0.08 0.00 0.50 0.00 0.00 46.19 46.19 2dm1 s LEU 24 CO 0.30 -0.19 1.37 -0.44 -1.32 0.00 0.00 176.35 176.07 2dm1 s SER 25 N 1.89 6.83 -0.04 3.68 0.01 -1.26 -4.50 113.70 120.31 2dm1 s SER 25 Ca 0.03 2.39 0.04 0.00 1.31 0.00 0.00 55.95 59.71 2dm1 s SER 25 Cb -0.12 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.48 2dm1 s SER 25 CO -0.04 -0.61 -0.13 -0.76 0.41 0.00 0.00 173.24 172.11 2dm1 s LEU 26 N 0.54 2.83 -0.03 2.44 1.43 -0.48 -4.93 118.68 120.47 2dm1 s LEU 26 Ca 0.61 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2dm1 s LEU 26 Cb -0.37 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2dm1 s LEU 26 CO 0.34 0.33 -0.23 -0.60 0.23 0.00 0.00 176.35 176.43 2dm1 s ARG 27 N -0.88 2.01 -0.65 1.70 6.06 -1.26 -1.61 118.95 124.32 2dm1 s ARG 27 Ca 0.12 -0.82 -0.36 0.00 -2.50 0.00 0.00 55.73 52.17 2dm1 s ARG 27 Cb -0.11 -1.86 -0.18 0.00 0.06 0.00 0.00 34.95 32.86 2dm1 s ARG 27 CO 0.02 0.45 2.37 0.39 -2.50 0.00 0.00 175.30 176.03 2dm1 n GLU 28 N 2.67 0.28 0.00 5.12 1.02 -1.26 0.99 120.64 129.46 2dm1 n GLU 28 Ca -0.16 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2dm1 n GLU 28 Cb 0.52 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 6.85 1.13 3.54 0.62 0.00 -0.72 -5.02 105.19 111.59 2dm1 n GLY 29 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 2dm1 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm1 s ASP 30 N -2.00 6.34 -0.02 1.61 1.11 0.28 -4.88 116.67 119.10 2dm1 s ASP 30 Ca 0.00 -0.12 -0.30 0.00 0.18 0.00 0.00 52.55 52.31 2dm1 s ASP 30 Cb 0.00 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 2dm1 s ASP 30 CO 0.00 -0.61 1.05 -0.69 1.18 0.00 0.00 175.17 176.09 2dm1 s VAL 31 N 2.60 4.64 -0.04 -1.27 1.01 -1.26 -2.67 120.40 123.42 2dm1 s VAL 31 Ca 0.21 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.16 2dm1 s VAL 31 Cb -0.15 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2dm1 s VAL 31 CO 0.16 0.09 -0.24 -0.69 0.00 0.00 0.00 175.10 174.42 2dm1 s VAL 32 N 1.42 1.90 -0.49 2.92 1.01 -0.80 -4.47 120.40 121.89 2dm1 s VAL 32 Ca 0.53 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 2dm1 s VAL 32 Cb -0.22 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.63 2dm1 s VAL 32 CO 0.25 0.54 0.52 -0.13 0.00 0.00 0.00 175.10 176.28 2dm1 s ARG 33 N -0.34 3.05 -0.23 2.72 0.52 -1.22 -0.96 118.95 122.50 2dm1 s ARG 33 Ca 0.03 -1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 2dm1 s ARG 33 Cb -0.11 -4.12 -0.07 0.00 0.52 0.00 0.00 34.95 31.17 2dm1 s ARG 33 CO 0.01 -1.14 2.20 -0.89 0.02 0.00 0.00 175.30 175.50 2dm1 n ILE 34 N 5.42 0.34 -0.12 1.52 5.41 -0.49 -3.93 119.36 127.52 2dm1 n ILE 34 Ca -0.09 -0.41 -0.21 0.00 1.00 0.00 0.00 62.75 63.04 2dm1 n ILE 34 Cb 0.44 -2.38 -0.07 0.00 -0.71 0.00 0.00 39.64 36.93 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 11.10 0.06 -4.60 1.39 4.01 0.82 -4.67 117.16 125.26 2dm1 n TYR 35 Ca 0.31 0.02 -0.32 0.00 -0.16 0.00 0.00 57.90 57.76 2dm1 n TYR 35 Cb 0.40 -0.79 -0.12 0.00 -0.31 0.00 0.00 39.34 38.52 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 -6.79 4.20 -0.18 7.72 1.04 -1.00 -4.98 113.70 113.71 2dm1 s SER 36 Ca -0.34 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2dm1 s SER 36 Cb 0.10 -0.85 -0.11 0.00 0.10 0.00 0.00 66.02 65.26 2dm1 s SER 36 CO 0.46 0.28 -0.16 0.54 0.98 0.00 0.00 173.24 175.34 2dm1 n ARG 37 N 1.66 0.43 -4.17 4.02 5.12 -1.26 -2.39 116.66 120.07 2dm1 n ARG 37 Ca -0.16 0.11 -0.22 0.00 -1.93 0.00 0.00 57.85 55.64 2dm1 n ARG 37 Cb 0.52 -1.33 -0.06 0.00 -1.16 0.00 0.00 32.46 30.43 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2dm1 s ILE 38 N -2.35 3.83 0.00 0.55 -4.36 -1.26 -4.72 121.20 112.89 2dm1 s ILE 38 Ca -0.24 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 2dm1 s ILE 38 Cb 0.06 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.66 2dm1 s ILE 38 CO 0.40 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.85 2dm1 n GLY 39 N -1.07 4.34 0.00 6.27 0.00 -1.26 -5.01 105.19 108.45 2dm1 n GLY 39 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.66 3.86 -0.02 0.00 -1.26 -5.12 105.19 104.32 2dm1 n GLY 40 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2dm1 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm1 s ASP 41 N 0.61 6.54 -0.21 1.61 1.01 -1.26 -4.96 116.67 120.01 2dm1 s ASP 41 Ca 0.00 1.36 -0.29 0.00 0.71 0.00 0.00 52.55 54.34 2dm1 s ASP 41 Cb 0.00 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 2dm1 s ASP 41 CO 0.00 -0.53 2.21 0.00 0.21 0.00 0.00 175.17 177.06 2dm1 n GLN 42 N -1.57 1.96 0.00 8.23 6.02 -1.26 -2.65 117.38 128.12 2dm1 n GLN 42 Ca 0.05 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 2dm1 n GLN 42 Cb 0.54 -3.18 0.00 0.00 1.02 0.00 0.00 30.24 28.62 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 5.74 2.94 3.51 1.08 0.00 -1.26 -5.07 105.19 112.13 2dm1 n GLY 43 Ca 0.30 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 45.04 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 0.28 -4.27 1.61 7.02 -1.08 -4.26 117.44 116.74 2dm1 n TRP 44 Ca 0.00 0.69 -0.15 0.00 -1.02 0.00 0.00 57.50 57.03 2dm1 n TRP 44 Cb 0.00 -2.10 -0.10 0.00 -2.42 0.00 0.00 31.31 26.69 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 -1.23 1.36 -0.17 -5.99 0.51 0.00 -4.75 118.94 108.66 2dm1 s TRP 45 Ca 0.62 -1.17 -0.02 0.00 -2.12 0.00 0.00 56.10 53.40 2dm1 s TRP 45 Cb -0.69 -0.77 -0.01 0.00 -0.81 0.00 0.00 33.47 31.20 2dm1 s TRP 45 CO 0.58 -0.36 -0.09 0.21 -0.51 0.00 0.00 176.95 176.78 2dm1 s LYS 46 N -4.02 3.38 0.00 4.98 2.20 -1.01 -0.36 119.74 124.91 2dm1 s LYS 46 Ca 0.34 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2dm1 s LYS 46 Cb 0.07 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2dm1 s LYS 46 CO 0.10 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 2dm1 n GLY 47 N 4.11 5.16 3.62 5.54 0.00 -1.15 -0.13 105.19 122.35 2dm1 n GLY 47 Ca -0.18 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 1.75 0.84 -0.01 1.61 2.12 -1.25 -3.35 118.70 120.40 2dm1 s GLU 48 Ca 0.00 0.90 -0.28 0.00 0.36 0.00 0.00 54.97 55.94 2dm1 s GLU 48 Cb 0.00 0.41 0.09 0.00 0.26 0.00 0.00 34.13 34.88 2dm1 s GLU 48 CO 0.00 -0.12 0.76 -0.08 -0.54 0.00 0.00 175.26 175.28 2dm1 s THR 49 N 0.21 0.00 -0.48 -1.70 -1.32 -0.59 -3.37 115.64 108.39 2dm1 s THR 49 Ca -0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 2dm1 s THR 49 Cb -0.05 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO 0.01 0.00 0.03 0.59 -2.21 0.00 0.00 174.62 173.04 2dm1 n ASN 50 N 0.33 -2.21 -1.41 8.08 4.13 -1.26 0.12 115.26 123.04 2dm1 n ASN 50 Ca -0.15 0.32 -0.10 0.00 1.68 0.00 0.00 54.58 56.34 2dm1 n ASN 50 Cb 0.60 -1.96 0.01 0.00 -1.54 0.00 0.00 39.78 36.89 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dm1 n GLY 51 N -0.65 0.13 2.85 7.41 0.00 -1.26 -5.03 105.19 108.64 2dm1 n GLY 51 Ca -0.05 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.96 0.93 -0.11 1.61 1.81 0.33 -5.14 118.95 113.43 2dm1 s ARG 52 Ca 0.12 -0.06 -0.01 0.00 -1.72 0.00 0.00 55.73 54.06 2dm1 s ARG 52 Cb -0.05 -1.09 -0.03 0.00 -0.45 0.00 0.00 34.95 33.33 2dm1 s ARG 52 CO 0.14 -0.21 -0.07 0.42 -0.68 0.00 0.00 175.30 174.90 2dm1 s ILE 53 N 1.53 3.65 -1.74 1.52 1.01 -1.26 -1.55 121.20 124.36 2dm1 s ILE 53 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2dm1 s ILE 53 Cb -0.13 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2dm1 s ILE 53 CO -0.04 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2dm1 n GLY 54 N 2.85 -1.52 3.67 6.18 0.00 -1.21 -4.89 105.19 110.27 2dm1 n GLY 54 Ca -0.18 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.48 3.42 0.10 1.61 0.52 -0.66 -2.92 118.94 118.53 2dm1 s TRP 55 Ca 0.00 1.12 0.08 0.00 0.02 0.00 0.00 56.10 57.32 2dm1 s TRP 55 Cb 0.00 -2.90 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 2dm1 s TRP 55 CO 0.00 -0.18 -0.19 -0.59 0.02 0.00 0.00 176.95 176.01 2dm1 s PHE 56 N 1.91 1.68 0.73 -1.98 -0.71 0.51 0.47 117.98 120.59 2dm1 s PHE 56 Ca 0.34 -0.43 -0.12 0.00 -1.04 0.00 0.00 56.93 55.68 2dm1 s PHE 56 Cb -0.16 -0.92 0.04 0.00 -1.21 0.00 0.00 43.02 40.77 2dm1 s PHE 56 CO 0.12 0.18 1.10 -1.25 -1.34 0.00 0.00 175.22 174.03 2dm1 s PRO 57 N -1.94 2.45 -0.01 1.99 0.04 -1.26 -0.82 135.00 135.45 2dm1 s PRO 57 Ca 0.05 1.25 0.16 0.00 0.04 0.00 0.00 61.00 62.50 2dm1 s PRO 57 Cb -0.10 -1.92 -0.19 0.00 0.04 0.00 0.00 34.50 32.34 2dm1 s PRO 57 CO 0.04 -1.50 0.58 -1.13 0.04 0.00 0.00 177.00 175.03 2dm1 n SER 58 N -3.13 0.88 0.01 6.66 3.41 -1.26 -4.39 113.62 115.81 2dm1 n SER 58 Ca 0.10 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 57.97 2dm1 n SER 58 Cb 0.53 1.18 -0.13 0.00 -0.26 0.00 0.00 64.21 65.53 2dm1 n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dm1 h THR 59 N 0.00 1.18 -0.00 6.66 1.03 -1.93 -3.28 112.91 116.56 2dm1 h THR 59 Ca 0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 66.41 63.43 2dm1 h THR 59 Cb 0.46 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 2dm1 h THR 59 CO 0.00 0.69 -0.01 -1.22 -0.01 0.00 0.00 175.52 174.97 2dm1 n TYR 60 N -3.18 0.00 -4.71 0.00 4.02 -1.26 -4.84 117.16 107.18 2dm1 n TYR 60 Ca -0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.47 2dm1 n TYR 60 Cb 1.01 -0.17 -0.07 0.00 -0.02 0.00 0.00 39.34 40.08 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 -2.36 0.88 -0.11 -0.72 -7.23 -1.24 -2.35 120.40 107.27 2dm1 s VAL 61 Ca 0.35 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2dm1 s VAL 61 Cb 0.21 -2.11 0.04 0.00 0.56 0.00 0.00 36.38 35.08 2dm1 s VAL 61 CO 0.43 0.00 0.04 -0.70 -0.31 0.00 0.00 175.10 174.56 2dm1 s GLU 62 N -3.83 0.33 -0.49 4.82 2.56 0.32 -4.80 118.70 117.61 2dm1 s GLU 62 Ca 0.07 0.03 -0.27 0.00 0.00 0.00 0.00 54.97 54.81 2dm1 s GLU 62 Cb 0.01 -1.27 -0.04 0.00 2.00 0.00 0.00 34.13 34.82 2dm1 s GLU 62 CO 0.05 -0.46 2.09 -1.21 -0.56 0.00 0.00 175.26 175.17 2dm1 s GLU 63 N 2.04 2.58 0.27 4.30 2.02 -1.26 -0.88 118.70 127.76 2dm1 s GLU 63 Ca 0.03 1.15 0.11 0.00 0.02 0.00 0.00 54.97 56.28 2dm1 s GLU 63 Cb -0.14 -4.43 -0.05 0.00 0.10 0.00 0.00 34.13 29.61 2dm1 s GLU 63 CO -0.06 -2.75 -0.20 -1.21 0.02 0.00 0.00 175.26 171.06 2dm1 s GLU 64 N 7.23 1.63 0.00 1.61 0.41 -0.30 -4.95 118.70 124.33 2dm1 s GLU 64 Ca 0.83 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 2dm1 s GLU 64 Cb -0.17 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2dm1 s GLU 64 CO 0.26 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 2dm1 n GLY 65 N -0.54 1.69 3.32 -1.39 0.00 -1.26 -3.99 105.19 103.01 2dm1 n GLY 65 Ca -0.06 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.42 -4.10 -0.61 -5.35 -1.26 -5.01 119.36 103.45 2dm1 n ILE 66 Ca 0.00 -0.33 -0.16 0.00 -0.27 0.00 0.00 62.75 61.99 2dm1 n ILE 66 Cb 0.00 -0.47 -0.15 0.00 -1.74 0.00 0.00 39.64 37.28 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2dm1 s GLN 67 N -2.91 0.42 -0.58 6.28 0.74 -1.26 -5.10 119.66 117.24 2dm1 s GLN 67 Ca 0.55 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.87 2dm1 s GLN 67 Cb -0.25 -0.45 0.15 0.00 1.10 0.00 0.00 33.01 33.56 2dm1 s GLN 67 CO 0.69 0.03 0.35 0.45 -0.55 0.00 0.00 175.29 176.26 2dm1 s SER 68 N 0.24 4.65 0.00 6.67 0.15 -1.26 -4.83 113.70 119.32 2dm1 s SER 68 Ca -0.02 -3.12 0.00 0.00 0.70 0.00 0.00 55.95 53.50 2dm1 s SER 68 Cb -0.06 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2dm1 s SER 68 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dm1 n GLY 69 N 3.01 0.42 3.62 9.45 0.00 -1.26 -5.01 105.19 115.41 2dm1 n GLY 69 Ca 0.08 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.19 3.66 -1.77 1.61 0.04 -1.26 -3.53 135.00 132.56 2dm1 s PRO 70 Ca 0.00 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 2dm1 s PRO 70 Cb 0.00 -4.07 0.16 0.00 0.04 0.00 0.00 34.50 30.63 2dm1 s PRO 70 CO 0.00 -1.45 0.42 0.45 0.04 0.00 0.00 177.00 176.46 2dm1 n SER 71 N 8.92 -1.03 0.15 6.66 2.88 -1.26 -4.83 113.62 125.11 2dm1 n SER 71 Ca 0.20 -1.25 -0.13 0.00 -1.33 0.00 0.00 58.87 56.36 2dm1 n SER 71 Cb 0.46 -1.67 -0.08 0.00 -0.75 0.00 0.00 64.21 62.17 2dm1 n SER 71 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dm1 h SER 72 N -1.19 -0.33 -0.03 -3.46 0.02 -1.96 -3.56 113.55 103.05 2dm1 h SER 72 Ca -0.62 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2dm1 h SER 72 Cb 1.39 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.02 2dm1 h SER 72 CO 0.83 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 177.17