#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 -3.06 -4.37 1.61 7.64 -1.26 -4.97 113.62 109.21 2dm1 n SER 2 Ca 0.00 -0.84 -0.28 0.00 1.01 0.00 0.00 58.87 58.75 2dm1 n SER 2 Cb 0.00 -3.73 -0.13 0.00 -1.01 0.00 0.00 64.21 59.34 2dm1 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm1 s SER 3 N -3.74 3.18 0.24 6.43 0.01 -1.26 -5.14 113.70 113.41 2dm1 s SER 3 Ca 0.40 -0.71 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 2dm1 s SER 3 Cb -0.20 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.82 2dm1 s SER 3 CO 0.84 0.18 0.58 -0.83 0.41 0.00 0.00 173.24 174.42 2dm1 s GLY 4 N -1.88 0.09 0.25 3.44 0.00 -1.26 -5.19 107.32 102.77 2dm1 s GLY 4 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2dm1 s GLY 4 CO 0.05 -0.31 0.18 -1.35 0.00 0.00 0.00 173.10 171.67 2dm1 s SER 5 N -2.93 0.76 0.26 1.64 1.04 -1.26 -5.16 113.70 108.05 2dm1 s SER 5 Ca 0.14 -1.51 -0.10 0.00 0.48 0.00 0.00 55.95 54.95 2dm1 s SER 5 Cb -0.03 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.45 2dm1 s SER 5 CO 0.04 -0.91 0.59 -0.44 0.98 0.00 0.00 173.24 173.51 2dm1 s SER 6 N -3.25 6.63 0.00 7.02 0.01 -1.26 -4.95 113.70 117.90 2dm1 s SER 6 Ca 0.39 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2dm1 s SER 6 Cb 0.05 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2dm1 s SER 6 CO 0.17 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2dm1 n GLY 7 N -0.33 1.29 0.46 3.44 0.00 -1.26 -5.01 105.19 103.78 2dm1 n GLY 7 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.85 3.29 -0.02 0.00 -1.26 -4.90 105.19 103.15 2dm1 n GLY 8 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 1.87 0.06 2.61 -4.23 -1.26 -0.99 115.64 111.54 2dm1 s THR 9 Ca 0.00 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 2dm1 s THR 9 Cb 0.00 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 2dm1 s THR 9 CO 0.00 0.28 -0.23 0.00 -0.54 0.00 0.00 174.62 174.14 2dm1 s ALA 10 N -0.80 1.93 -0.22 3.99 0.00 0.07 -1.59 121.76 125.15 2dm1 s ALA 10 Ca 0.09 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 2dm1 s ALA 10 Cb -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.67 2dm1 s ALA 10 CO 0.02 0.43 -0.08 0.54 0.00 0.00 0.00 175.76 176.67 2dm1 s VAL 11 N -0.87 2.95 -0.40 0.00 0.11 -0.97 -0.62 120.40 120.60 2dm1 s VAL 11 Ca 0.09 -0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 58.15 2dm1 s VAL 11 Cb -0.09 -2.36 -0.06 0.00 -1.53 0.00 0.00 36.38 32.34 2dm1 s VAL 11 CO 0.03 0.40 2.31 0.00 -3.33 0.00 0.00 175.10 174.50 2dm1 s ALA 12 N 1.40 2.04 -1.50 1.54 0.00 -1.16 -1.19 121.76 122.88 2dm1 s ALA 12 Ca 0.04 0.25 0.30 0.00 0.00 0.00 0.00 51.96 52.56 2dm1 s ALA 12 Cb -0.14 -4.25 1.56 0.00 0.00 0.00 0.00 23.12 20.29 2dm1 s ALA 12 CO -0.06 -3.85 2.07 0.54 0.00 0.00 0.00 175.76 174.46 2dm1 n ARG 13 N 8.92 0.49 -3.77 0.00 5.12 -0.77 -2.53 116.66 124.13 2dm1 n ARG 13 Ca 0.33 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.13 2dm1 n ARG 13 Cb 0.51 -1.50 -0.12 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 -2.50 -0.27 0.23 -1.55 2.02 -1.21 -4.98 117.35 109.08 2dm1 s TYR 14 Ca 0.31 0.67 -0.31 0.00 -0.37 0.00 0.00 57.07 57.36 2dm1 s TYR 14 Cb 0.20 0.07 -0.11 0.00 -0.40 0.00 0.00 41.96 41.73 2dm1 s TYR 14 CO 0.45 -0.16 1.59 0.54 -1.57 0.00 0.00 175.55 176.40 2dm1 s ASN 15 N 0.48 6.48 -0.07 2.29 4.22 -1.26 -4.64 114.94 122.43 2dm1 s ASN 15 Ca -0.03 2.79 -0.03 0.00 -2.14 0.00 0.00 52.86 53.46 2dm1 s ASN 15 Cb -0.04 -2.61 0.04 0.00 1.28 0.00 0.00 41.25 39.91 2dm1 s ASN 15 CO -0.02 -0.87 0.06 0.12 -2.04 0.00 0.00 177.10 174.35 2dm1 s PHE 16 N 0.57 0.18 -0.23 1.54 5.36 -0.51 -5.01 117.98 119.87 2dm1 s PHE 16 Ca 0.67 0.07 -0.17 0.00 -0.96 0.00 0.00 56.93 56.54 2dm1 s PHE 16 Cb -0.46 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 41.62 2dm1 s PHE 16 CO 0.39 -0.28 0.46 0.00 -1.46 0.00 0.00 175.22 174.33 2dm1 s ALA 17 N 2.13 3.57 0.11 11.12 0.00 -1.26 -0.40 121.76 137.03 2dm1 s ALA 17 Ca 0.04 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 2dm1 s ALA 17 Cb -0.13 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 2dm1 s ALA 17 CO -0.05 -0.54 1.40 0.00 0.00 0.00 0.00 175.76 176.57 2dm1 s ALA 18 N 1.85 3.60 -0.15 0.00 0.00 -1.26 -4.93 121.76 120.86 2dm1 s ALA 18 Ca 0.20 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 2dm1 s ALA 18 Cb -0.15 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.19 2dm1 s ALA 18 CO 0.09 -0.63 0.28 0.54 0.00 0.00 0.00 175.76 176.04 2dm1 n ARG 19 N 4.03 0.71 -3.73 0.00 5.12 -1.26 -4.91 116.66 116.62 2dm1 n ARG 19 Ca 0.12 0.32 -0.37 0.00 -1.93 0.00 0.00 57.85 55.99 2dm1 n ARG 19 Cb 0.42 -1.70 -0.06 0.00 -1.16 0.00 0.00 32.46 29.96 2dm1 n ARG 19 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2dm1 s ASP 20 N -6.99 6.55 0.64 0.55 2.15 -1.26 -4.96 116.67 113.35 2dm1 s ASP 20 Ca -0.25 0.66 0.28 0.00 0.43 0.00 0.00 52.55 53.67 2dm1 s ASP 20 Cb 0.07 -2.14 1.51 0.00 -0.30 0.00 0.00 42.92 42.06 2dm1 s ASP 20 CO 0.71 0.37 1.87 0.00 -0.17 0.00 0.00 175.17 177.96 2dm1 h MET 21 N 4.81 0.00 -0.07 4.34 -0.00 -2.03 0.17 114.93 122.15 2dm1 h MET 21 Ca -0.53 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 58.94 2dm1 h MET 21 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.84 2dm1 h MET 21 CO 0.60 0.00 -0.86 0.00 -0.00 0.00 0.00 176.91 176.65 2dm1 h ARG 22 N 0.00 0.70 -7.25 -0.10 3.08 -1.94 -3.46 114.38 105.41 2dm1 h ARG 22 Ca 0.08 -0.66 -0.46 0.00 0.07 0.00 0.00 59.98 59.00 2dm1 h ARG 22 Cb 0.91 0.17 0.18 0.00 0.08 0.00 0.00 29.97 31.31 2dm1 h ARG 22 CO -0.00 1.26 0.14 -1.21 -1.07 0.00 0.00 179.97 179.09 2dm1 s GLU 23 N -3.51 0.16 -0.11 0.04 2.02 0.60 -0.81 118.70 117.09 2dm1 s GLU 23 Ca -0.11 0.87 0.03 0.00 0.02 0.00 0.00 54.97 55.79 2dm1 s GLU 23 Cb 0.07 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.62 2dm1 s GLU 23 CO 0.90 -3.01 -0.23 -1.17 0.02 0.00 0.00 175.26 171.77 2dm1 s LEU 24 N -6.73 2.13 0.25 1.80 2.96 -0.09 -4.35 118.68 114.64 2dm1 s LEU 24 Ca 0.66 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 2dm1 s LEU 24 Cb -0.22 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 44.95 2dm1 s LEU 24 CO 0.60 0.14 1.32 -0.44 -1.32 0.00 0.00 176.35 176.66 2dm1 s SER 25 N 0.43 6.84 -0.05 3.68 0.01 -1.26 -4.54 113.70 118.80 2dm1 s SER 25 Ca -0.16 2.52 0.06 0.00 1.31 0.00 0.00 55.95 59.68 2dm1 s SER 25 Cb -0.17 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 2dm1 s SER 25 CO 0.07 -0.54 -0.24 -0.76 0.41 0.00 0.00 173.24 172.18 2dm1 s LEU 26 N -0.69 2.13 -0.02 2.44 1.43 0.47 -4.96 118.68 119.49 2dm1 s LEU 26 Ca 0.54 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2dm1 s LEU 26 Cb -0.38 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2dm1 s LEU 26 CO 0.43 0.26 -0.24 -0.60 0.23 0.00 0.00 176.35 176.43 2dm1 s ARG 27 N -0.25 1.99 -0.54 1.70 3.52 -1.26 -1.42 118.95 122.69 2dm1 s ARG 27 Ca -0.01 -0.85 -0.34 0.00 -0.13 0.00 0.00 55.73 54.40 2dm1 s ARG 27 Cb -0.13 -1.89 -0.14 0.00 -1.56 0.00 0.00 34.95 31.22 2dm1 s ARG 27 CO 0.03 0.49 2.33 0.39 -0.81 0.00 0.00 175.30 177.73 2dm1 n GLU 28 N 2.56 0.64 0.00 5.12 1.02 -1.26 0.28 120.64 129.00 2dm1 n GLU 28 Ca -0.16 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2dm1 n GLU 28 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 1.10 3.46 0.62 0.00 -1.05 -5.05 105.19 110.89 2dm1 n GLY 29 Ca 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.10 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 5.90 0.36 1.61 1.11 0.14 -4.94 116.67 118.85 2dm1 s ASP 30 Ca 0.00 -0.71 -0.26 0.00 0.18 0.00 0.00 52.55 51.76 2dm1 s ASP 30 Cb 0.00 -2.09 -0.09 0.00 1.07 0.00 0.00 42.92 41.81 2dm1 s ASP 30 CO 0.00 -0.32 1.09 -0.69 1.18 0.00 0.00 175.17 176.43 2dm1 s VAL 31 N 1.65 3.51 -0.03 -1.27 1.01 -1.26 -3.00 120.40 121.01 2dm1 s VAL 31 Ca 0.05 1.30 0.01 0.00 0.00 0.00 0.00 61.98 63.33 2dm1 s VAL 31 Cb -0.18 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.48 2dm1 s VAL 31 CO 0.09 0.14 -0.01 -0.69 0.00 0.00 0.00 175.10 174.63 2dm1 s VAL 32 N -1.44 0.26 0.26 2.92 1.01 0.21 -4.62 120.40 119.01 2dm1 s VAL 32 Ca 0.53 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 2dm1 s VAL 32 Cb -0.27 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 2dm1 s VAL 32 CO 0.35 0.15 0.75 -0.13 0.00 0.00 0.00 175.10 176.22 2dm1 s ARG 33 N 0.87 4.23 -0.52 2.72 3.00 -1.24 -0.75 118.95 127.26 2dm1 s ARG 33 Ca -0.09 0.88 -0.16 0.00 0.00 0.00 0.00 55.73 56.35 2dm1 s ARG 33 Cb -0.13 -2.75 0.10 0.00 0.00 0.00 0.00 34.95 32.17 2dm1 s ARG 33 CO -0.01 0.32 0.49 0.42 0.00 0.00 0.00 175.30 176.52 2dm1 s ILE 34 N -1.65 5.15 -0.13 1.52 1.01 -0.16 -3.44 121.20 123.49 2dm1 s ILE 34 Ca 0.47 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 2dm1 s ILE 34 Cb -0.15 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 2dm1 s ILE 34 CO 0.20 -0.77 0.09 1.88 0.00 0.00 0.00 174.94 176.34 2dm1 h TYR 35 N 8.88 0.00 -3.67 3.97 0.05 -1.16 -3.47 116.97 121.57 2dm1 h TYR 35 Ca -0.29 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.90 2dm1 h TYR 35 Cb 1.10 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.52 2dm1 h TYR 35 CO 0.71 0.34 -0.85 0.45 -1.05 0.00 0.00 178.16 177.76 2dm1 s SER 36 N -5.88 2.39 0.01 3.88 0.15 -1.20 -5.02 113.70 108.02 2dm1 s SER 36 Ca -0.11 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 2dm1 s SER 36 Cb 0.01 -0.87 -0.27 0.00 -1.71 0.00 0.00 66.02 63.18 2dm1 s SER 36 CO 0.25 0.14 0.86 0.03 1.20 0.00 0.00 173.24 175.72 2dm1 h ARG 37 N 6.51 0.23 -5.00 5.44 3.08 -1.91 -2.98 114.38 119.76 2dm1 h ARG 37 Ca -0.29 -0.40 -0.39 0.00 0.07 0.00 0.00 59.98 58.98 2dm1 h ARG 37 Cb 1.19 0.15 -0.24 0.00 0.08 0.00 0.00 29.97 31.15 2dm1 h ARG 37 CO 0.47 1.09 -0.77 0.96 -1.07 0.00 0.00 179.97 180.65 2dm1 s ILE 38 N -2.62 0.88 0.00 2.04 -4.36 -1.26 -4.73 121.20 111.14 2dm1 s ILE 38 Ca -0.09 -0.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 2dm1 s ILE 38 Cb 0.07 -0.82 0.00 0.00 1.25 0.00 0.00 42.46 42.96 2dm1 s ILE 38 CO 0.85 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 176.57 2dm1 n GLY 39 N 1.94 -0.08 0.00 6.27 0.00 -1.26 -5.08 105.19 106.97 2dm1 n GLY 39 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.35 3.57 -0.02 0.00 -1.26 -5.10 105.19 102.73 2dm1 n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.93 4.52 0.37 1.61 1.11 -1.26 -5.09 116.67 118.87 2dm1 s ASP 41 Ca 0.00 -0.10 -0.28 0.00 0.18 0.00 0.00 52.55 52.35 2dm1 s ASP 41 Cb 0.00 -1.07 -0.11 0.00 1.07 0.00 0.00 42.92 42.80 2dm1 s ASP 41 CO 0.00 0.33 1.46 0.00 1.18 0.00 0.00 175.17 178.14 2dm1 n GLN 42 N 1.98 2.60 0.00 8.23 0.00 -1.26 -3.01 117.38 125.92 2dm1 n GLN 42 Ca -0.17 0.91 0.00 0.00 0.00 0.00 0.00 57.00 57.74 2dm1 n GLN 42 Cb 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 30.24 28.14 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dm1 n GLY 43 N 0.53 2.40 3.71 2.61 0.00 -1.26 -5.01 105.19 108.18 2dm1 n GLY 43 Ca 0.02 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 2.16 -4.26 1.61 7.02 -1.16 -4.06 117.44 118.74 2dm1 n TRP 44 Ca 0.00 0.49 -0.21 0.00 -1.02 0.00 0.00 57.50 56.76 2dm1 n TRP 44 Cb 0.00 -2.38 -0.12 0.00 -2.42 0.00 0.00 31.31 26.40 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 -1.21 1.58 -0.34 -5.99 0.51 -0.64 -4.77 118.94 108.07 2dm1 s TRP 45 Ca 0.62 -0.47 -0.12 0.00 -2.12 0.00 0.00 56.10 54.01 2dm1 s TRP 45 Cb -0.50 -0.84 -0.01 0.00 -0.81 0.00 0.00 33.47 31.32 2dm1 s TRP 45 CO 0.57 0.19 0.21 0.21 -0.51 0.00 0.00 176.95 177.62 2dm1 s LYS 46 N -2.26 3.32 0.00 4.98 2.20 -1.13 -2.60 119.74 124.26 2dm1 s LYS 46 Ca 0.07 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2dm1 s LYS 46 Cb -0.08 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2dm1 s LYS 46 CO 0.04 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 2dm1 n GLY 47 N 5.06 5.70 3.64 5.54 0.00 -1.22 -0.56 105.19 123.35 2dm1 n GLY 47 Ca -0.13 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 1.66 0.45 -0.17 1.61 2.12 -1.24 -4.20 118.70 118.93 2dm1 s GLU 48 Ca 0.00 0.65 -0.28 0.00 0.36 0.00 0.00 54.97 55.70 2dm1 s GLU 48 Cb 0.00 0.16 0.10 0.00 0.26 0.00 0.00 34.13 34.65 2dm1 s GLU 48 CO 0.00 -0.07 0.86 -0.08 -0.54 0.00 0.00 175.26 175.42 2dm1 s THR 49 N 0.80 0.00 -1.71 -1.70 -1.32 -0.86 -3.70 115.64 107.15 2dm1 s THR 49 Ca -0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 2dm1 s THR 49 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2dm1 s THR 49 CO -0.11 0.00 0.00 0.59 -2.21 0.00 0.00 174.62 172.89 2dm1 n ASN 50 N 1.48 -5.34 -1.25 8.08 4.13 -1.26 -1.12 115.26 119.98 2dm1 n ASN 50 Ca -0.14 0.14 -0.10 0.00 1.68 0.00 0.00 54.58 56.15 2dm1 n ASN 50 Cb 0.57 -4.53 -0.00 0.00 -1.54 0.00 0.00 39.78 34.28 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 -0.82 -0.02 3.08 7.41 0.00 -1.26 -5.03 105.19 108.56 2dm1 n GLY 51 Ca -0.22 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.63 1.23 -0.02 1.61 0.52 -0.27 -5.14 118.95 112.24 2dm1 s ARG 52 Ca 0.03 -0.47 0.05 0.00 -0.52 0.00 0.00 55.73 54.82 2dm1 s ARG 52 Cb -0.01 -1.14 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 2dm1 s ARG 52 CO 0.04 0.24 -0.15 0.42 0.02 0.00 0.00 175.30 175.86 2dm1 s ILE 53 N -0.11 1.23 -0.90 1.52 1.09 -1.26 -2.03 121.20 120.74 2dm1 s ILE 53 Ca 0.01 -0.65 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2dm1 s ILE 53 Cb -0.08 -1.03 0.00 0.00 -1.06 0.00 0.00 42.46 40.29 2dm1 s ILE 53 CO 0.00 0.35 0.00 0.61 -0.10 0.00 0.00 174.94 175.80 2dm1 n GLY 54 N 2.81 -0.64 3.42 6.18 0.00 -1.26 -4.87 105.19 110.83 2dm1 n GLY 54 Ca -0.15 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.43 3.03 0.02 1.61 0.52 0.01 -3.97 118.94 116.73 2dm1 s TRP 55 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.62 2dm1 s TRP 55 Cb 0.00 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2dm1 s TRP 55 CO 0.00 -0.33 -0.13 -0.59 0.02 0.00 0.00 176.95 175.92 2dm1 s PHE 56 N 1.22 1.16 0.53 -1.98 -0.71 -1.07 -0.92 117.98 116.22 2dm1 s PHE 56 Ca 0.03 -0.31 -0.20 0.00 -1.04 0.00 0.00 56.93 55.42 2dm1 s PHE 56 Cb -0.15 -0.71 -0.06 0.00 -1.21 0.00 0.00 43.02 40.90 2dm1 s PHE 56 CO 0.01 0.01 1.14 -1.25 -1.34 0.00 0.00 175.22 173.79 2dm1 s PRO 57 N -0.87 3.41 0.04 1.99 0.04 -1.26 -1.63 135.00 136.72 2dm1 s PRO 57 Ca 0.02 1.64 0.23 0.00 0.04 0.00 0.00 61.00 62.93 2dm1 s PRO 57 Cb -0.07 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.46 2dm1 s PRO 57 CO 0.01 -0.81 1.04 0.45 0.04 0.00 0.00 177.00 177.72 2dm1 n SER 58 N -1.18 0.62 0.17 6.66 2.88 -1.26 -4.01 113.62 117.50 2dm1 n SER 58 Ca 0.11 -0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.45 2dm1 n SER 58 Cb 0.50 0.78 0.16 0.00 -0.75 0.00 0.00 64.21 64.91 2dm1 n SER 58 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2dm1 h THR 59 N 0.00 0.73 0.00 2.46 1.35 -1.93 -3.06 112.91 112.47 2dm1 h THR 59 Ca 0.00 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 2dm1 h THR 59 Cb 0.71 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2dm1 h THR 59 CO 0.00 0.38 -0.29 -1.22 -0.25 0.00 0.00 175.52 174.15 2dm1 n TYR 60 N -3.28 0.16 -4.19 4.73 4.02 -1.26 -4.88 117.16 112.47 2dm1 n TYR 60 Ca 0.02 0.05 -0.26 0.00 -0.01 0.00 0.00 57.90 57.70 2dm1 n TYR 60 Cb 0.63 -0.46 -0.07 0.00 -0.02 0.00 0.00 39.34 39.42 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 -3.03 2.14 -0.21 -0.72 -7.23 -1.16 -1.84 120.40 108.35 2dm1 s VAL 61 Ca 0.11 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2dm1 s VAL 61 Cb 0.17 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 34.30 2dm1 s VAL 61 CO 0.63 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.68 2dm1 s GLU 62 N -3.92 1.46 -0.30 4.82 2.56 -0.34 -4.82 118.70 118.17 2dm1 s GLU 62 Ca 0.37 -0.77 -0.29 0.00 0.00 0.00 0.00 54.97 54.29 2dm1 s GLU 62 Cb 0.04 -2.36 -0.06 0.00 2.00 0.00 0.00 34.13 33.74 2dm1 s GLU 62 CO 0.21 -0.55 2.27 0.39 -0.56 0.00 0.00 175.26 177.02 2dm1 n GLU 63 N 4.78 1.65 -2.18 4.30 1.02 -1.26 -2.28 120.64 126.67 2dm1 n GLU 63 Ca -0.12 0.39 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 2dm1 n GLU 63 Cb 0.46 -3.17 -0.03 0.00 -0.02 0.00 0.00 31.44 28.68 2dm1 n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2dm1 s GLU 64 N 6.76 4.30 0.00 3.49 2.02 -0.62 -5.00 118.70 129.66 2dm1 s GLU 64 Ca 1.02 2.05 0.00 0.00 0.02 0.00 0.00 54.97 58.06 2dm1 s GLU 64 Cb -0.38 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2dm1 s GLU 64 CO 0.35 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.54 2dm1 n GLY 65 N 3.57 4.33 3.44 -1.39 0.00 -1.26 -4.67 105.19 109.21 2dm1 n GLY 65 Ca 0.12 -1.67 -0.48 0.00 0.00 0.00 0.00 46.02 43.99 2dm1 n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dm1 n ILE 66 N 0.00 1.80 -4.31 -0.61 5.41 -1.26 -4.97 119.36 115.43 2dm1 n ILE 66 Ca 0.00 -0.45 -0.27 0.00 1.00 0.00 0.00 62.75 63.03 2dm1 n ILE 66 Cb 0.00 -0.19 -0.17 0.00 -0.71 0.00 0.00 39.64 38.58 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 -0.98 1.80 0.10 0.38 0.74 -1.26 -5.11 119.66 115.33 2dm1 s GLN 67 Ca 0.66 -0.41 -0.31 0.00 0.05 0.00 0.00 55.36 55.35 2dm1 s GLN 67 Cb -0.92 -1.62 -0.08 0.00 1.10 0.00 0.00 33.01 31.49 2dm1 s GLN 67 CO 0.57 -0.10 1.52 -1.12 -0.55 0.00 0.00 175.29 175.60 2dm1 s SER 68 N 1.12 6.70 0.00 6.67 0.01 -1.26 -4.97 113.70 121.97 2dm1 s SER 68 Ca -0.05 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2dm1 s SER 68 Cb -0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2dm1 s SER 68 CO -0.02 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2dm1 n GLY 69 N 3.73 -0.17 3.57 3.44 0.00 -1.26 -4.86 105.19 109.64 2dm1 n GLY 69 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 0.22 2.52 -0.27 1.61 0.04 -1.26 -4.90 135.00 132.97 2dm1 s PRO 70 Ca 0.00 -0.74 0.02 0.00 0.04 0.00 0.00 61.00 60.32 2dm1 s PRO 70 Cb 0.00 -5.16 0.07 0.00 0.04 0.00 0.00 34.50 29.45 2dm1 s PRO 70 CO 0.00 -3.70 -0.05 0.45 0.04 0.00 0.00 177.00 173.74 2dm1 s SER 71 N 7.25 4.24 0.34 6.66 0.15 -1.26 -5.12 113.70 125.96 2dm1 s SER 71 Ca 0.69 -1.45 0.05 0.00 0.70 0.00 0.00 55.95 55.95 2dm1 s SER 71 Cb -0.04 -1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 62.88 2dm1 s SER 71 CO 0.06 -0.25 0.49 -0.94 1.20 0.00 0.00 173.24 173.80 2dm1 s SER 72 N 1.21 6.01 0.00 5.45 1.04 -1.26 -5.24 113.70 120.92 2dm1 s SER 72 Ca -0.03 -0.05 0.14 0.00 0.48 0.00 0.00 55.95 56.48 2dm1 s SER 72 Cb -0.19 -1.40 0.83 0.00 0.10 0.00 0.00 66.02 65.36 2dm1 s SER 72 CO -0.07 -0.42 1.25 0.61 0.98 0.00 0.00 173.24 175.60