#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 -0.22 0.36 1.61 0.01 -1.26 -5.14 113.70 109.06 2dm1 s SER 2 Ca 0.00 0.28 -0.25 0.00 1.31 0.00 0.00 55.95 57.28 2dm1 s SER 2 Cb 0.00 0.43 -0.12 0.00 0.21 0.00 0.00 66.02 66.54 2dm1 s SER 2 CO 0.00 -0.30 0.90 -0.24 0.41 0.00 0.00 173.24 174.01 2dm1 n SER 3 N 1.97 0.76 0.00 2.44 2.88 -1.26 -4.97 113.62 115.44 2dm1 n SER 3 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2dm1 n SER 3 Cb 0.57 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2dm1 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm1 n GLY 4 N 1.34 -0.18 3.62 0.46 0.00 -1.26 -5.13 105.19 104.04 2dm1 n GLY 4 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.52 -0.48 0.07 1.61 0.15 -1.26 -5.13 113.70 108.14 2dm1 s SER 5 Ca 0.00 0.81 -0.34 0.00 0.70 0.00 0.00 55.95 57.13 2dm1 s SER 5 Cb 0.00 0.79 -0.13 0.00 -1.71 0.00 0.00 66.02 64.97 2dm1 s SER 5 CO 0.00 -0.23 1.70 -1.54 1.20 0.00 0.00 173.24 174.37 2dm1 n SER 6 N 1.84 3.27 -3.83 5.45 3.41 -1.26 -4.97 113.62 117.53 2dm1 n SER 6 Ca -0.12 1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 59.41 2dm1 n SER 6 Cb 0.56 -1.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.01 2dm1 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dm1 s GLY 7 N 2.15 -0.02 0.00 5.00 0.00 -1.26 -5.13 107.32 108.06 2dm1 s GLY 7 Ca 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2dm1 s GLY 7 CO 0.43 -0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 2dm1 n GLY 8 N 1.18 -1.25 2.97 0.20 0.00 -1.26 -5.07 105.19 101.96 2dm1 n GLY 8 Ca -0.21 0.97 -0.10 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 0.14 0.20 2.61 -4.23 -1.26 -0.18 115.64 112.93 2dm1 s THR 9 Ca 0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2dm1 s THR 9 Cb 0.00 -0.26 -0.05 0.00 1.34 0.00 0.00 72.50 73.53 2dm1 s THR 9 CO 0.00 -0.41 0.08 0.00 -0.54 0.00 0.00 174.62 173.75 2dm1 s ALA 10 N -1.22 1.35 -0.10 3.99 0.00 0.34 -2.94 121.76 123.18 2dm1 s ALA 10 Ca -0.13 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.16 2dm1 s ALA 10 Cb -0.08 1.00 0.01 0.00 0.00 0.00 0.00 23.12 24.04 2dm1 s ALA 10 CO -0.01 -0.47 -0.16 0.54 0.00 0.00 0.00 175.76 175.66 2dm1 s VAL 11 N -3.89 1.53 -0.08 0.00 0.11 0.78 -1.13 120.40 117.72 2dm1 s VAL 11 Ca 0.33 -0.68 -0.29 0.00 -2.93 0.00 0.00 61.98 58.41 2dm1 s VAL 11 Cb 0.07 -1.38 -0.07 0.00 -1.53 0.00 0.00 36.38 33.47 2dm1 s VAL 11 CO 0.09 0.45 2.05 0.00 -3.33 0.00 0.00 175.10 174.36 2dm1 s ALA 12 N 0.82 3.21 -0.62 1.54 0.00 -1.05 -0.72 121.76 124.94 2dm1 s ALA 12 Ca -0.10 1.06 0.23 0.00 0.00 0.00 0.00 51.96 53.15 2dm1 s ALA 12 Cb -0.16 -3.94 0.17 0.00 0.00 0.00 0.00 23.12 19.20 2dm1 s ALA 12 CO 0.01 -2.10 1.15 0.54 0.00 0.00 0.00 175.76 175.36 2dm1 n ARG 13 N 8.05 0.29 -3.76 0.00 5.12 0.11 -2.44 116.66 124.03 2dm1 n ARG 13 Ca 0.24 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 56.06 2dm1 n ARG 13 Cb 0.43 -1.63 -0.11 0.00 -1.16 0.00 0.00 32.46 29.99 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 -0.36 0.28 -1.55 2.02 -0.97 -4.93 117.35 108.65 2dm1 s TYR 14 Ca 0.05 0.88 -0.29 0.00 -0.37 0.00 0.00 57.07 57.33 2dm1 s TYR 14 Cb 0.14 0.12 -0.10 0.00 -0.40 0.00 0.00 41.96 41.72 2dm1 s TYR 14 CO 0.77 -0.18 1.33 0.54 -1.57 0.00 0.00 175.55 176.44 2dm1 s ASN 15 N 0.16 6.79 -0.11 2.29 2.20 -1.26 -4.63 114.94 120.37 2dm1 s ASN 15 Ca -0.00 2.60 -0.04 0.00 -0.94 0.00 0.00 52.86 54.48 2dm1 s ASN 15 Cb -0.02 -2.63 0.06 0.00 -2.00 0.00 0.00 41.25 36.65 2dm1 s ASN 15 CO 0.01 -0.56 0.18 0.12 -2.94 0.00 0.00 177.10 173.90 2dm1 s PHE 16 N -0.55 -0.21 -0.71 1.54 5.36 0.35 -4.95 117.98 118.82 2dm1 s PHE 16 Ca 0.53 0.54 -0.23 0.00 -0.96 0.00 0.00 56.93 56.82 2dm1 s PHE 16 Cb -0.39 -0.27 0.07 0.00 -0.34 0.00 0.00 43.02 42.08 2dm1 s PHE 16 CO 0.46 -0.35 1.04 0.00 -1.46 0.00 0.00 175.22 174.92 2dm1 s ALA 17 N 2.31 3.07 -0.43 11.12 0.00 -1.26 -0.08 121.76 136.49 2dm1 s ALA 17 Ca 0.03 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 49.81 2dm1 s ALA 17 Cb -0.13 -3.96 -0.14 0.00 0.00 0.00 0.00 23.12 18.89 2dm1 s ALA 17 CO -0.07 -2.90 1.63 0.00 0.00 0.00 0.00 175.76 174.42 2dm1 n ALA 18 N 7.87 0.17 -0.18 0.00 0.00 -1.26 -4.76 120.51 122.36 2dm1 n ALA 18 Ca 0.01 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 2dm1 n ALA 18 Cb 0.46 -1.54 0.04 0.00 0.00 0.00 0.00 19.45 18.42 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 6.95 -0.03 -5.65 0.00 3.08 -1.92 -3.43 114.38 113.37 2dm1 h ARG 19 Ca -0.07 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.37 2dm1 h ARG 19 Cb 1.02 0.01 -0.11 0.00 0.08 0.00 0.00 29.97 30.96 2dm1 h ARG 19 CO 0.83 -0.02 -0.54 0.34 -1.07 0.00 0.00 179.97 179.51 2dm1 s ASP 20 N -5.21 4.10 0.18 7.04 2.15 -1.26 -5.04 116.67 118.63 2dm1 s ASP 20 Ca -0.14 -1.34 -0.13 0.00 0.43 0.00 0.00 52.55 51.37 2dm1 s ASP 20 Cb 0.17 -0.22 0.12 0.00 -0.30 0.00 0.00 42.92 42.69 2dm1 s ASP 20 CO 0.72 -0.58 1.81 0.24 -0.17 0.00 0.00 175.17 177.20 2dm1 h MET 21 N 1.56 0.60 -0.41 4.34 2.86 -2.02 -2.83 114.93 119.04 2dm1 h MET 21 Ca -0.43 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.25 2dm1 h MET 21 Cb 1.26 -0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.69 2dm1 h MET 21 CO 0.76 0.40 -0.32 0.00 1.06 0.00 0.00 176.91 178.81 2dm1 h ARG 22 N 0.62 -0.23 0.00 1.72 2.47 -1.96 -3.42 114.38 113.59 2dm1 h ARG 22 Ca 0.22 0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.77 2dm1 h ARG 22 Cb 0.05 0.05 0.11 0.00 -1.65 0.00 0.00 29.97 28.53 2dm1 h ARG 22 CO -0.11 -0.15 -0.09 0.39 0.56 0.00 0.00 179.97 180.57 2dm1 n GLU 23 N -5.42 -2.61 -3.89 0.04 4.71 -1.07 -1.29 120.64 111.11 2dm1 n GLU 23 Ca 0.01 -0.74 -0.15 0.00 -0.01 0.00 0.00 57.16 56.28 2dm1 n GLU 23 Cb 0.34 -1.10 -0.15 0.00 -1.01 0.00 0.00 31.44 29.51 2dm1 n GLU 23 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2dm1 s LEU 24 N 0.00 1.49 0.09 -4.62 2.96 0.62 -3.89 118.68 115.32 2dm1 s LEU 24 Ca 0.34 -0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.94 2dm1 s LEU 24 Cb -0.06 -0.11 -0.07 0.00 0.50 0.00 0.00 46.19 46.45 2dm1 s LEU 24 CO 0.28 -0.06 1.27 -0.44 -1.32 0.00 0.00 176.35 176.09 2dm1 s SER 25 N 0.60 6.98 -0.11 3.68 0.01 -1.26 -4.15 113.70 119.45 2dm1 s SER 25 Ca -0.05 2.15 -0.01 0.00 1.31 0.00 0.00 55.95 59.34 2dm1 s SER 25 Cb -0.08 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2dm1 s SER 25 CO -0.01 -0.53 -0.07 -0.76 0.41 0.00 0.00 173.24 172.27 2dm1 s LEU 26 N 1.00 3.12 0.01 2.44 1.43 0.89 -4.92 118.68 122.64 2dm1 s LEU 26 Ca 0.61 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 2dm1 s LEU 26 Cb -0.32 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2dm1 s LEU 26 CO 0.30 0.26 -0.23 -0.60 0.23 0.00 0.00 176.35 176.31 2dm1 s ARG 27 N -0.17 1.73 -0.40 1.70 3.52 -1.26 -0.49 118.95 123.57 2dm1 s ARG 27 Ca 0.02 -0.89 -0.34 0.00 -0.13 0.00 0.00 55.73 54.39 2dm1 s ARG 27 Cb -0.13 -1.75 -0.11 0.00 -1.56 0.00 0.00 34.95 31.40 2dm1 s ARG 27 CO 0.03 0.47 2.25 0.39 -0.81 0.00 0.00 175.30 177.63 2dm1 n GLU 28 N 2.25 1.02 0.00 5.12 1.02 -1.26 0.18 120.64 128.97 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 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 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 6.48 1.77 3.53 0.62 0.00 -1.02 -5.02 105.19 111.54 2dm1 n GLY 29 Ca 0.42 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 2.74 -4.62 1.61 9.92 0.13 -4.68 116.55 121.64 2dm1 n ASP 30 Ca 0.00 0.28 -0.43 0.00 -0.53 0.00 0.00 54.79 54.12 2dm1 n ASP 30 Cb 0.00 -1.43 -0.03 0.00 -0.64 0.00 0.00 41.12 39.02 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 7.95 4.60 -0.08 2.53 1.01 -1.26 -2.53 120.40 132.63 2dm1 s VAL 31 Ca 1.05 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 64.39 2dm1 s VAL 31 Cb -0.57 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 2dm1 s VAL 31 CO 0.41 -0.45 0.11 -0.69 0.00 0.00 0.00 175.10 174.48 2dm1 s VAL 32 N 3.43 5.12 -0.49 2.92 1.01 -0.28 -4.69 120.40 127.42 2dm1 s VAL 32 Ca 0.40 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2dm1 s VAL 32 Cb -0.12 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.11 2dm1 s VAL 32 CO 0.16 0.54 0.41 -0.13 0.00 0.00 0.00 175.10 176.08 2dm1 s ARG 33 N -1.22 2.83 -0.57 2.72 0.52 -1.25 -0.51 118.95 121.48 2dm1 s ARG 33 Ca 0.17 -1.60 -0.27 0.00 -0.52 0.00 0.00 55.73 53.51 2dm1 s ARG 33 Cb -0.12 -4.11 -0.10 0.00 0.52 0.00 0.00 34.95 31.14 2dm1 s ARG 33 CO 0.07 -1.18 2.46 -0.89 0.02 0.00 0.00 175.30 175.78 2dm1 n ILE 34 N 5.12 -0.06 0.06 1.52 5.41 0.75 -3.98 119.36 128.19 2dm1 n ILE 34 Ca -0.12 -0.65 -0.20 0.00 1.00 0.00 0.00 62.75 62.78 2dm1 n ILE 34 Cb 0.41 -2.39 -0.15 0.00 -0.71 0.00 0.00 39.64 36.81 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 18.09 0.57 -3.57 1.39 0.05 -0.54 -3.43 116.97 129.55 2dm1 h TYR 35 Ca -0.21 -0.42 -0.62 0.00 0.05 0.00 0.00 58.73 57.53 2dm1 h TYR 35 Cb 1.28 -0.02 -0.39 0.00 1.01 0.00 0.00 36.73 38.61 2dm1 h TYR 35 CO 0.98 1.33 -0.77 -1.12 -1.05 0.00 0.00 178.16 177.53 2dm1 s SER 36 N -7.01 4.07 0.26 3.88 0.01 -1.16 -4.99 113.70 108.75 2dm1 s SER 36 Ca -0.13 -1.45 -0.02 0.00 1.31 0.00 0.00 55.95 55.66 2dm1 s SER 36 Cb 0.01 -1.22 0.34 0.00 0.21 0.00 0.00 66.02 65.36 2dm1 s SER 36 CO 0.84 -0.29 1.77 -0.09 0.41 0.00 0.00 173.24 175.88 2dm1 h ARG 37 N 7.91 0.82 -4.61 12.44 2.43 -1.90 -3.26 114.38 128.21 2dm1 h ARG 37 Ca -0.14 -0.21 -0.36 0.00 -0.81 0.00 0.00 59.98 58.45 2dm1 h ARG 37 Cb 1.05 -0.10 -0.28 0.00 -0.42 0.00 0.00 29.97 30.22 2dm1 h ARG 37 CO 0.44 0.80 -0.77 0.42 -1.51 0.00 0.00 179.97 179.36 2dm1 s ILE 38 N -5.05 0.62 0.00 1.20 1.01 -1.26 -4.79 121.20 112.93 2dm1 s ILE 38 Ca -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2dm1 s ILE 38 Cb 0.15 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2dm1 s ILE 38 CO 0.81 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.48 2dm1 n GLY 39 N 2.74 0.60 0.00 6.18 0.00 -1.26 -5.12 105.19 108.33 2dm1 n GLY 39 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 3.53 3.40 -0.02 0.00 -1.26 -5.12 105.19 105.72 2dm1 n GLY 40 Ca 0.00 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 1.28 -0.34 1.61 8.00 -1.26 -4.96 116.55 120.87 2dm1 n ASP 41 Ca 0.00 -2.05 0.04 0.00 0.71 0.00 0.00 54.79 53.50 2dm1 n ASP 41 Cb 0.00 -0.54 0.11 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.54 -0.11 -2.87 -1.24 10.64 -1.26 -3.78 117.38 116.22 2dm1 n GLN 42 Ca 0.14 1.44 -0.10 0.00 -1.83 0.00 0.00 57.00 56.65 2dm1 n GLN 42 Cb 0.52 -2.15 0.01 0.00 -0.86 0.00 0.00 30.24 27.75 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dm1 n GLY 43 N -1.56 0.31 2.66 2.61 0.00 -1.26 -5.09 105.19 102.86 2dm1 n GLY 43 Ca 0.14 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 2.27 0.30 -4.06 1.61 7.02 -1.25 -4.50 117.44 118.83 2dm1 n TRP 44 Ca 0.16 -2.02 -0.07 0.00 -1.02 0.00 0.00 57.50 54.55 2dm1 n TRP 44 Cb 0.58 -0.07 -0.10 0.00 -2.42 0.00 0.00 31.31 29.30 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 -2.66 0.48 -0.21 -5.99 0.51 -1.11 -4.76 118.94 105.20 2dm1 s TRP 45 Ca 0.12 -1.01 -0.00 0.00 -2.12 0.00 0.00 56.10 53.09 2dm1 s TRP 45 Cb 0.01 -0.35 0.05 0.00 -0.81 0.00 0.00 33.47 32.37 2dm1 s TRP 45 CO 0.09 -0.41 -0.04 0.21 -0.51 0.00 0.00 176.95 176.29 2dm1 s LYS 46 N -3.92 1.45 0.00 4.98 2.20 -1.23 -1.99 119.74 121.23 2dm1 s LYS 46 Ca 0.07 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2dm1 s LYS 46 Cb 0.08 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 2dm1 s LYS 46 CO -0.10 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 2dm1 n GLY 47 N 4.78 5.83 3.15 5.54 0.00 -1.24 0.17 105.19 123.43 2dm1 n GLY 47 Ca -0.12 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 1.16 0.31 -0.28 1.61 2.12 -1.26 -3.64 118.70 118.72 2dm1 s GLU 48 Ca 0.00 0.45 -0.18 0.00 0.36 0.00 0.00 54.97 55.60 2dm1 s GLU 48 Cb 0.00 0.09 0.09 0.00 0.26 0.00 0.00 34.13 34.57 2dm1 s GLU 48 CO 0.00 -0.07 0.74 -0.08 -0.54 0.00 0.00 175.26 175.31 2dm1 s THR 49 N 0.47 0.00 -1.56 -1.70 -1.32 -1.00 -3.85 115.64 106.67 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 -0.02 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.19 2dm1 n ASN 50 N 3.92 -5.08 -1.35 8.08 5.15 -1.26 -2.14 115.26 122.58 2dm1 n ASN 50 Ca -0.19 0.09 -0.09 0.00 -0.60 0.00 0.00 54.58 53.79 2dm1 n ASN 50 Cb 0.58 -4.16 0.01 0.00 -0.53 0.00 0.00 39.78 35.69 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 -0.98 0.18 2.82 8.20 0.00 -1.26 -5.03 105.19 109.12 2dm1 n GLY 51 Ca -0.20 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.97 0.89 -0.16 1.61 1.81 -0.91 -5.13 118.95 112.10 2dm1 s ARG 52 Ca 0.12 -0.01 -0.01 0.00 -1.72 0.00 0.00 55.73 54.10 2dm1 s ARG 52 Cb -0.05 -1.14 -0.01 0.00 -0.45 0.00 0.00 34.95 33.30 2dm1 s ARG 52 CO 0.14 -0.27 -0.10 0.42 -0.68 0.00 0.00 175.30 174.81 2dm1 s ILE 53 N 1.81 3.19 0.00 1.52 1.09 -1.26 -2.38 121.20 125.18 2dm1 s ILE 53 Ca 0.04 -0.59 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2dm1 s ILE 53 Cb -0.12 -2.38 0.00 0.00 -1.06 0.00 0.00 42.46 38.90 2dm1 s ILE 53 CO -0.06 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 175.89 2dm1 n GLY 54 N 3.87 0.44 3.72 6.18 0.00 -1.24 -4.95 105.19 113.20 2dm1 n GLY 54 Ca -0.18 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.18 3.54 0.02 1.61 0.52 -0.41 -3.66 118.94 118.38 2dm1 s TRP 55 Ca 0.00 1.09 0.04 0.00 0.02 0.00 0.00 56.10 57.25 2dm1 s TRP 55 Cb 0.00 -2.70 -0.02 0.00 -1.15 0.00 0.00 33.47 29.60 2dm1 s TRP 55 CO 0.00 0.11 -0.12 -0.59 0.02 0.00 0.00 176.95 176.37 2dm1 s PHE 56 N 0.77 1.09 -0.11 -1.98 -0.12 -0.84 0.23 117.98 117.02 2dm1 s PHE 56 Ca 0.33 -0.30 -0.29 0.00 -0.05 0.00 0.00 56.93 56.61 2dm1 s PHE 56 Cb -0.17 -0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 2dm1 s PHE 56 CO 0.15 0.01 1.53 -1.25 -0.05 0.00 0.00 175.22 175.61 2dm1 s PRO 57 N -0.85 4.15 0.36 1.99 0.04 -1.26 -2.74 135.00 136.69 2dm1 s PRO 57 Ca 0.02 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.14 2dm1 s PRO 57 Cb -0.07 -3.93 0.67 0.00 0.04 0.00 0.00 34.50 31.21 2dm1 s PRO 57 CO 0.01 -0.86 1.80 0.66 0.04 0.00 0.00 177.00 178.65 2dm1 h SER 58 N 9.28 0.06 0.31 6.66 4.64 -1.91 -2.27 113.55 130.31 2dm1 h SER 58 Ca -0.35 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2dm1 h SER 58 Cb 1.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2dm1 h SER 58 CO 0.96 0.43 0.00 0.35 -0.87 0.00 0.00 176.83 177.70 2dm1 n THR 59 N -4.09 1.10 0.52 2.95 -2.24 -1.26 -1.09 114.28 110.17 2dm1 n THR 59 Ca -0.02 0.48 0.11 0.00 -2.27 0.00 0.00 64.05 62.35 2dm1 n THR 59 Cb 0.42 -1.43 -0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2dm1 n THR 59 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dm1 n TYR 60 N -2.07 0.26 -4.50 4.78 4.02 -0.86 -4.96 117.16 113.84 2dm1 n TYR 60 Ca 0.01 0.08 -0.32 0.00 -0.01 0.00 0.00 57.90 57.65 2dm1 n TYR 60 Cb 0.11 -0.44 -0.05 0.00 -0.02 0.00 0.00 39.34 38.94 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 -3.22 1.17 -0.06 -0.72 -7.23 -0.25 0.06 120.40 110.16 2dm1 s VAL 61 Ca 0.03 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2dm1 s VAL 61 Cb 0.14 -2.01 0.04 0.00 0.56 0.00 0.00 36.38 35.11 2dm1 s VAL 61 CO 0.81 0.00 0.12 -0.70 -0.31 0.00 0.00 175.10 175.03 2dm1 s GLU 62 N -4.04 0.06 -0.36 4.82 2.12 0.10 -4.77 118.70 116.63 2dm1 s GLU 62 Ca 0.11 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 2dm1 s GLU 62 Cb -0.01 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 2dm1 s GLU 62 CO 0.07 -0.17 1.61 -1.21 -0.54 0.00 0.00 175.26 175.02 2dm1 s GLU 63 N 1.15 3.48 0.83 4.30 2.02 -1.26 -0.16 118.70 129.06 2dm1 s GLU 63 Ca -0.09 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.01 2dm1 s GLU 63 Cb -0.12 -4.11 0.09 0.00 0.10 0.00 0.00 34.13 30.10 2dm1 s GLU 63 CO -0.05 -1.68 1.10 -1.21 0.02 0.00 0.00 175.26 173.43 2dm1 s GLU 64 N 5.26 1.76 -0.31 1.61 2.02 -1.15 -4.98 118.70 122.91 2dm1 s GLU 64 Ca 0.71 1.19 -0.01 0.00 0.02 0.00 0.00 54.97 56.87 2dm1 s GLU 64 Cb -0.18 -1.84 0.29 0.00 0.10 0.00 0.00 34.13 32.50 2dm1 s GLU 64 CO 0.33 -2.00 1.33 0.41 0.02 0.00 0.00 175.26 175.35 2dm1 n GLY 65 N -0.84 -1.92 3.39 -1.39 0.00 -1.26 -4.90 105.19 98.26 2dm1 n GLY 65 Ca 0.09 1.07 -0.29 0.00 0.00 0.00 0.00 46.02 46.90 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 1.20 0.00 -2.54 -0.61 -5.35 -1.26 -4.94 119.36 105.87 2dm1 n ILE 66 Ca -0.02 -0.38 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 2dm1 n ILE 66 Cb 0.73 -0.98 -0.04 0.00 -1.74 0.00 0.00 39.64 37.62 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2dm1 s GLN 67 N -4.49 4.57 0.26 6.28 -1.52 -1.26 -5.05 119.66 118.46 2dm1 s GLN 67 Ca 0.68 1.67 0.11 0.00 -1.95 0.00 0.00 55.36 55.87 2dm1 s GLN 67 Cb -0.22 -3.32 -0.05 0.00 -0.22 0.00 0.00 33.01 29.20 2dm1 s GLN 67 CO 0.64 0.00 -0.15 -1.54 -0.25 0.00 0.00 175.29 173.99 2dm1 s SER 68 N 0.28 3.84 0.00 5.90 1.04 -1.26 -4.71 113.70 118.79 2dm1 s SER 68 Ca 0.51 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2dm1 s SER 68 Cb -0.28 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.39 2dm1 s SER 68 CO 0.32 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2dm1 n GLY 69 N -0.57 1.63 0.11 7.32 0.00 -1.26 -4.68 105.19 107.73 2dm1 n GLY 69 Ca -0.06 -0.79 0.11 0.00 0.00 0.00 0.00 46.02 45.28 2dm1 n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm1 n PRO 70 N 0.00 0.16 -1.44 1.61 -0.04 -1.26 -4.86 135.00 129.17 2dm1 n PRO 70 Ca 0.00 0.40 -0.50 0.00 -0.04 0.00 0.00 63.50 63.36 2dm1 n PRO 70 Cb 0.00 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 2dm1 n PRO 70 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm1 n SER 71 N -2.12 -0.71 -4.27 3.54 3.41 -1.26 -4.95 113.62 107.26 2dm1 n SER 71 Ca 0.02 1.14 -0.33 0.00 -0.26 0.00 0.00 58.87 59.44 2dm1 n SER 71 Cb 0.22 -0.97 -0.15 0.00 -0.26 0.00 0.00 64.21 63.04 2dm1 n SER 71 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dm1 s SER 72 N -0.70 3.64 0.00 4.04 1.04 -1.26 -5.13 113.70 115.33 2dm1 s SER 72 Ca 0.70 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2dm1 s SER 72 Cb -0.99 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2dm1 s SER 72 CO 0.56 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.50