#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du5 s VAL 2 N 0.00 4.34 -0.22 0.00 1.01 -1.26 -0.63 120.40 123.64 1du5 s VAL 2 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1du5 s VAL 2 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1du5 s VAL 2 CO 0.00 0.57 -0.05 -0.36 0.00 0.00 0.00 175.10 175.26 1du5 s PHE 3 N -0.54 2.95 -0.13 5.22 0.40 0.22 -1.53 117.98 124.57 1du5 s PHE 3 Ca 0.09 -0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 55.26 1du5 s PHE 3 Cb -0.12 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 1du5 s PHE 3 CO 0.02 -0.57 0.44 0.99 0.70 0.00 0.00 175.22 176.81 1du5 s THR 4 N 1.47 5.21 -0.17 0.64 2.01 0.06 -0.96 115.64 123.89 1du5 s THR 4 Ca 0.06 0.87 0.01 0.00 0.31 0.00 0.00 61.69 62.94 1du5 s THR 4 Cb -0.14 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1du5 s THR 4 CO -0.04 0.33 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.35 1du5 s VAL 5 N 0.63 1.93 -0.03 3.82 1.01 0.07 -0.87 120.40 126.97 1du5 s VAL 5 Ca 0.24 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1du5 s VAL 5 Cb -0.15 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1du5 s VAL 5 CO 0.09 0.50 -0.17 0.54 0.00 0.00 0.00 175.10 176.06 1du5 s VAL 6 N 1.34 1.38 -0.45 2.92 0.11 -0.44 -0.53 120.40 124.73 1du5 s VAL 6 Ca 0.05 -0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 58.17 1du5 s VAL 6 Cb -0.13 -1.16 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1du5 s VAL 6 CO -0.12 0.39 0.62 0.21 -3.33 0.00 0.00 175.10 172.87 1du5 s ASN 7 N -0.22 6.28 0.00 3.54 2.47 -0.25 -1.20 114.94 125.56 1du5 s ASN 7 Ca 0.02 -0.51 0.11 0.00 0.42 0.00 0.00 52.86 52.90 1du5 s ASN 7 Cb -0.09 -2.30 0.26 0.00 -1.45 0.00 0.00 41.25 37.67 1du5 s ASN 7 CO 0.00 -0.79 1.16 1.67 -3.72 0.00 0.00 177.10 175.42 1du5 n GLN 8 N 6.19 2.29 -2.55 0.43 7.27 0.05 -0.52 117.38 130.54 1du5 n GLN 8 Ca -0.03 -1.84 -0.34 0.00 0.07 0.00 0.00 57.00 54.86 1du5 n GLN 8 Cb 0.47 -1.26 -0.04 0.00 2.41 0.00 0.00 30.24 31.82 1du5 n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1du5 n PRO 10 N -1.01 0.94 -4.25 0.00 -0.02 -1.26 -4.47 135.00 124.93 1du5 n PRO 10 Ca 0.09 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.43 1du5 n PRO 10 Cb 0.53 -1.11 -0.10 0.00 -0.02 0.00 0.00 33.50 32.80 1du5 n PRO 10 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1du5 s PHE 11 N -1.76 1.26 0.30 6.00 -0.12 -1.26 -4.95 117.98 117.45 1du5 s PHE 11 Ca 0.00 -0.98 -0.27 0.00 -0.05 0.00 0.00 56.93 55.63 1du5 s PHE 11 Cb 0.00 -0.71 -0.10 0.00 -0.63 0.00 0.00 43.02 41.58 1du5 s PHE 11 CO 0.00 -0.16 0.96 0.99 -0.05 0.00 0.00 175.22 176.96 1du5 s THR 12 N -3.59 4.08 0.12 -4.49 2.01 -1.26 -4.36 115.64 108.14 1du5 s THR 12 Ca 0.24 1.85 0.10 0.00 0.31 0.00 0.00 61.69 64.19 1du5 s THR 12 Cb 0.06 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1du5 s THR 12 CO 0.04 0.27 -0.25 0.68 -0.69 0.00 0.00 174.62 174.66 1du5 s VAL 13 N -1.44 2.08 -0.49 3.82 -7.23 -0.73 -4.63 120.40 111.78 1du5 s VAL 13 Ca 0.47 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 58.91 1du5 s VAL 13 Cb -0.22 -1.85 0.13 0.00 0.56 0.00 0.00 36.38 34.99 1du5 s VAL 13 CO 0.28 0.06 0.35 0.26 -0.31 0.00 0.00 175.10 175.74 1du5 s TRP 14 N -1.07 3.48 0.70 2.82 0.51 -0.36 -0.80 118.94 124.22 1du5 s TRP 14 Ca 0.12 -2.11 -0.15 0.00 -2.12 0.00 0.00 56.10 51.84 1du5 s TRP 14 Cb -0.10 -3.42 0.02 0.00 -0.81 0.00 0.00 33.47 29.16 1du5 s TRP 14 CO 0.05 -0.97 1.15 0.00 -0.51 0.00 0.00 176.95 176.67 1du5 s ALA 15 N 1.08 2.29 -0.03 0.98 0.00 0.08 -0.80 121.76 125.35 1du5 s ALA 15 Ca 0.08 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1du5 s ALA 15 Cb -0.24 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1du5 s ALA 15 CO -0.02 -1.58 0.10 0.00 0.00 0.00 0.00 175.76 174.25 1du5 s ALA 16 N -2.20 -0.23 -0.13 0.00 0.00 0.58 -1.84 121.76 117.92 1du5 s ALA 16 Ca 0.70 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1du5 s ALA 16 Cb -0.24 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 22.86 1du5 s ALA 16 CO 0.44 -0.09 0.28 0.45 0.00 0.00 0.00 175.76 176.83 1du5 s SER 17 N -0.38 0.24 0.03 0.00 0.15 -0.51 -1.00 113.70 112.23 1du5 s SER 17 Ca -0.04 0.63 0.07 0.00 0.70 0.00 0.00 55.95 57.31 1du5 s SER 17 Cb -0.03 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 1du5 s SER 17 CO 0.00 -0.23 -0.22 -0.69 1.20 0.00 0.00 173.24 173.30 1du5 s VAL 18 N 2.34 1.74 -1.36 4.45 1.01 -0.72 -0.98 120.40 126.87 1du5 s VAL 18 Ca 0.00 -1.16 0.11 0.00 0.00 0.00 0.00 61.98 60.94 1du5 s VAL 18 Cb -0.12 -1.49 0.44 0.00 0.00 0.00 0.00 36.38 35.21 1du5 s VAL 18 CO -0.09 0.29 1.30 -0.81 0.00 0.00 0.00 175.10 175.79 1du5 n PRO 19 N 2.00 2.62 -4.33 2.72 -0.04 -1.26 -2.16 135.00 134.56 1du5 n PRO 19 Ca -0.17 -1.74 -0.20 0.00 -0.04 0.00 0.00 63.50 61.35 1du5 n PRO 19 Cb 0.53 -1.62 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 1du5 n PRO 19 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1du5 s VAL 20 N -1.69 0.71 0.00 0.52 -7.23 -1.25 -4.88 120.40 106.58 1du5 s VAL 20 Ca 0.31 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 1du5 s VAL 20 Cb 0.20 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1du5 s VAL 20 CO 0.16 0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 1du5 n GLY 21 N 3.52 2.31 0.00 2.32 0.00 -1.26 -4.63 105.19 107.45 1du5 n GLY 21 Ca -0.20 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1du5 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 22 N 0.00 0.91 3.46 -0.02 0.00 -0.15 -4.94 105.19 104.45 1du5 n GLY 22 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1du5 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1du5 s GLY 23 N 0.00 -0.54 -0.19 -0.02 0.00 -1.24 -1.43 107.32 103.89 1du5 s GLY 23 Ca 0.00 0.90 -0.21 0.00 0.00 0.00 0.00 44.72 45.41 1du5 s GLY 23 CO 0.00 0.57 0.57 -1.60 0.00 0.00 0.00 173.10 172.64 1du5 s ARG 24 N -2.17 0.71 -0.27 2.90 6.06 -0.77 -4.77 118.95 120.63 1du5 s ARG 24 Ca -0.06 0.71 -0.23 0.00 -2.50 0.00 0.00 55.73 53.64 1du5 s ARG 24 Cb -0.01 0.34 -0.00 0.00 0.06 0.00 0.00 34.95 35.34 1du5 s ARG 24 CO 0.01 -0.11 0.78 -1.14 -2.50 0.00 0.00 175.30 172.35 1du5 s GLN 25 N 0.10 4.07 -0.25 5.12 0.74 -1.26 -0.74 119.66 127.43 1du5 s GLN 25 Ca -0.02 0.72 0.00 0.00 0.05 0.00 0.00 55.36 56.12 1du5 s GLN 25 Cb -0.04 -3.68 0.04 0.00 1.10 0.00 0.00 33.01 30.43 1du5 s GLN 25 CO 0.02 -0.58 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.57 1du5 s LEU 26 N 2.85 3.19 0.87 3.68 1.43 0.02 -4.97 118.68 125.76 1du5 s LEU 26 Ca 0.32 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.22 1du5 s LEU 26 Cb -0.15 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.60 1du5 s LEU 26 CO 0.10 -0.15 1.22 0.20 0.23 0.00 0.00 176.35 177.95 1du5 s ASN 27 N 1.23 3.95 0.06 2.29 -0.87 -1.26 -1.77 114.94 118.57 1du5 s ASN 27 Ca -0.03 0.63 -0.32 0.00 -1.57 0.00 0.00 52.86 51.57 1du5 s ASN 27 Cb -0.18 -0.98 -0.11 0.00 -0.02 0.00 0.00 41.25 39.96 1du5 s ASN 27 CO -0.06 -2.24 1.83 -1.14 -2.57 0.00 0.00 177.10 172.92 1du5 n ARG 28 N -3.51 2.55 -0.22 -0.60 0.63 -1.26 -1.80 116.66 112.44 1du5 n ARG 28 Ca 0.10 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 1du5 n ARG 28 Cb 0.60 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1du5 n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1du5 n GLY 29 N 4.20 0.61 3.94 5.14 0.00 0.32 -5.04 105.19 114.37 1du5 n GLY 29 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1du5 n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du5 s GLU 30 N -0.78 3.27 0.02 1.61 2.02 -0.74 -4.87 118.70 119.23 1du5 s GLU 30 Ca 0.00 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 1du5 s GLU 30 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1du5 s GLU 30 CO 0.00 -0.11 0.01 -1.54 0.02 0.00 0.00 175.26 173.64 1du5 s SER 31 N -4.14 0.22 0.00 -0.19 1.04 -1.26 -1.09 113.70 108.28 1du5 s SER 31 Ca 0.45 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 56.43 1du5 s SER 31 Cb -0.10 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 1du5 s SER 31 CO 0.38 -0.36 -0.17 0.86 0.98 0.00 0.00 173.24 174.93 1du5 s TRP 32 N -1.81 1.47 -0.18 5.02 -0.00 0.31 -4.96 118.94 118.78 1du5 s TRP 32 Ca -0.12 -0.30 0.01 0.00 -0.00 0.00 0.00 56.10 55.69 1du5 s TRP 32 Cb -0.07 -0.93 0.02 0.00 -0.00 0.00 0.00 33.47 32.50 1du5 s TRP 32 CO -0.02 -0.00 -0.18 1.03 -0.00 0.00 0.00 176.95 177.78 1du5 s ARG 33 N -0.57 2.76 0.01 5.86 0.52 -1.26 -0.75 118.95 125.53 1du5 s ARG 33 Ca 0.06 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1du5 s ARG 33 Cb -0.07 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 32.86 1du5 s ARG 33 CO -0.00 -0.25 -0.02 0.42 0.02 0.00 0.00 175.30 175.47 1du5 s ILE 34 N 1.32 4.00 -0.27 1.52 1.01 -0.14 -4.94 121.20 123.70 1du5 s ILE 34 Ca 0.04 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1du5 s ILE 34 Cb -0.14 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1du5 s ILE 34 CO -0.12 0.35 -0.06 -0.89 0.00 0.00 0.00 174.94 174.22 1du5 s THR 35 N -1.09 2.65 -0.25 2.92 2.01 -1.26 -0.61 115.64 120.01 1du5 s THR 35 Ca 0.20 -1.34 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 1du5 s THR 35 Cb -0.11 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1du5 s THR 35 CO 0.10 0.04 0.34 0.00 -0.69 0.00 0.00 174.62 174.41 1du5 s ALA 36 N 1.23 3.56 0.61 7.40 0.00 0.20 -4.92 121.76 129.85 1du5 s ALA 36 Ca -0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 1du5 s ALA 36 Cb -0.19 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1du5 s ALA 36 CO -0.04 -0.52 1.15 -1.25 0.00 0.00 0.00 175.76 175.10 1du5 s PRO 37 N 1.77 2.95 0.56 0.00 0.04 -1.26 0.55 135.00 139.60 1du5 s PRO 37 Ca 0.14 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1du5 s PRO 37 Cb -0.15 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1du5 s PRO 37 CO 0.09 -1.17 1.30 0.00 0.04 0.00 0.00 177.00 177.25 1du5 s ALA 38 N -1.94 2.73 0.00 8.56 0.00 -1.26 -2.46 121.76 127.39 1du5 s ALA 38 Ca 0.72 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1du5 s ALA 38 Cb -0.25 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1du5 s ALA 38 CO 0.35 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1du5 n GLY 39 N 0.68 0.70 3.76 0.00 0.00 -0.73 -5.03 105.19 104.57 1du5 n GLY 39 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1du5 n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du5 s THR 40 N -2.20 2.38 0.09 2.61 2.01 -1.03 -4.85 115.64 114.66 1du5 s THR 40 Ca 0.00 0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.19 1du5 s THR 40 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1du5 s THR 40 CO 0.00 0.01 0.23 0.28 -0.69 0.00 0.00 174.62 174.45 1du5 s THR 41 N -1.35 0.13 -1.51 -0.82 -1.32 -1.26 -0.45 115.64 109.06 1du5 s THR 41 Ca 0.67 -1.05 -0.09 0.00 -1.21 0.00 0.00 61.69 60.02 1du5 s THR 41 Cb -0.38 -1.29 0.07 0.00 -1.51 0.00 0.00 72.50 69.39 1du5 s THR 41 CO 0.45 -0.58 0.69 0.00 -2.21 0.00 0.00 174.62 172.98 1du5 n ALA 42 N -0.07 -1.63 -2.76 11.08 0.00 -1.24 -4.90 120.51 120.98 1du5 n ALA 42 Ca -0.15 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 1du5 n ALA 42 Cb 0.63 -2.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.19 1du5 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1du5 s ALA 43 N -3.58 3.49 0.06 0.00 0.00 -0.96 -4.76 121.76 116.01 1du5 s ALA 43 Ca 0.37 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1du5 s ALA 43 Cb -0.19 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.62 1du5 s ALA 43 CO 0.88 0.57 0.22 -0.98 0.00 0.00 0.00 175.76 176.45 1du5 s ARG 44 N -2.85 0.77 -0.02 0.00 1.70 -0.92 -1.27 118.95 116.37 1du5 s ARG 44 Ca 0.30 -0.70 0.03 0.00 -0.47 0.00 0.00 55.73 54.89 1du5 s ARG 44 Cb -0.11 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.59 1du5 s ARG 44 CO 0.22 -0.24 -0.11 0.42 -1.08 0.00 0.00 175.30 174.51 1du5 s ILE 45 N -2.98 0.92 0.30 4.99 1.01 -0.03 -1.75 121.20 123.66 1du5 s ILE 45 Ca -0.02 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 1du5 s ILE 45 Cb 0.01 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.72 1du5 s ILE 45 CO -0.06 0.27 0.67 -1.66 0.00 0.00 0.00 174.94 174.16 1du5 s TRP 46 N -0.14 0.08 0.02 3.97 -2.14 -0.17 -1.53 118.94 119.02 1du5 s TRP 46 Ca 0.02 -0.56 0.06 0.00 2.66 0.00 0.00 56.10 58.29 1du5 s TRP 46 Cb -0.06 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.87 1du5 s TRP 46 CO -0.00 -1.27 -0.18 0.00 -2.66 0.00 0.00 176.95 172.85 1du5 s ALA 47 N -3.49 2.59 -0.14 2.67 0.00 -1.26 -0.31 121.76 121.81 1du5 s ALA 47 Ca 0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 1du5 s ALA 47 Cb -0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1du5 s ALA 47 CO 0.09 0.57 -0.07 1.03 0.00 0.00 0.00 175.76 177.38 1du5 s ARG 48 N -1.22 3.56 0.24 0.00 3.00 0.02 -4.63 118.95 119.93 1du5 s ARG 48 Ca 0.14 -0.57 0.06 0.00 0.00 0.00 0.00 55.73 55.36 1du5 s ARG 48 Cb -0.10 -2.81 -0.03 0.00 0.00 0.00 0.00 34.95 32.00 1du5 s ARG 48 CO 0.04 0.25 0.23 0.95 0.00 0.00 0.00 175.30 176.77 1du5 s THR 49 N 0.32 4.65 -1.15 0.02 -4.23 -1.25 -1.22 115.64 112.78 1du5 s THR 49 Ca -0.06 -1.29 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1du5 s THR 49 Cb -0.15 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1du5 s THR 49 CO 0.04 -0.33 0.86 0.61 -0.54 0.00 0.00 174.62 175.25 1du5 n GLY 50 N -1.19 -0.82 3.70 3.99 0.00 -1.26 -2.09 105.19 107.51 1du5 n GLY 50 Ca -0.08 0.39 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 1du5 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du5 s LYS 52 N -2.78 0.26 0.05 0.00 2.47 0.15 -4.97 119.74 114.93 1du5 s LYS 52 Ca 0.28 0.19 0.02 0.00 -1.56 0.00 0.00 55.97 54.90 1du5 s LYS 52 Cb -0.10 -0.64 -0.03 0.00 -1.46 0.00 0.00 37.83 35.60 1du5 s LYS 52 CO 0.20 -0.25 -0.08 -0.06 0.16 0.00 0.00 175.35 175.31 1du5 s PHE 53 N 1.69 0.74 0.43 4.03 0.08 -1.26 -1.32 117.98 122.38 1du5 s PHE 53 Ca -0.00 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 56.56 1du5 s PHE 53 Cb -0.13 -0.44 0.07 0.00 -0.57 0.00 0.00 43.02 41.96 1du5 s PHE 53 CO -0.03 -0.08 0.60 -0.40 -0.10 0.00 0.00 175.22 175.20 1du5 n ASP 54 N 1.24 1.47 0.18 1.36 3.85 -0.43 -4.91 116.55 119.31 1du5 n ASP 54 Ca -0.21 -2.08 0.18 0.00 -0.71 0.00 0.00 54.79 51.96 1du5 n ASP 54 Cb 0.55 -0.32 0.81 0.00 -1.35 0.00 0.00 41.12 40.81 1du5 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1du5 h ALA 55 N 0.14 1.87 -0.04 2.12 0.00 -2.02 0.15 119.26 121.48 1du5 h ALA 55 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1du5 h ALA 55 Cb 0.90 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1du5 h ALA 55 CO 0.28 -0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.59 1du5 n SER 56 N -3.79 0.49 -1.97 0.00 7.64 -1.26 -4.91 113.62 109.81 1du5 n SER 56 Ca 0.03 -1.39 -0.13 0.00 1.01 0.00 0.00 58.87 58.38 1du5 n SER 56 Cb 0.38 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.59 1du5 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1du5 n GLY 57 N 0.94 0.01 3.23 0.23 0.00 0.51 -4.94 105.19 105.18 1du5 n GLY 57 Ca 0.17 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1du5 n GLY 57 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1du5 s ARG 58 N -5.36 2.12 0.00 1.61 6.06 -1.25 -1.05 118.95 121.08 1du5 s ARG 58 Ca 0.22 -0.80 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 1du5 s ARG 58 Cb -0.10 -1.88 0.00 0.00 0.06 0.00 0.00 34.95 33.03 1du5 s ARG 58 CO 0.27 0.39 0.00 0.41 -2.50 0.00 0.00 175.30 173.87 1du5 n GLY 59 N 2.84 -0.55 3.76 8.12 0.00 -0.45 -1.31 105.19 117.60 1du5 n GLY 59 Ca -0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1du5 n GLY 59 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1du5 s SER 60 N -4.00 -0.31 -0.08 1.61 0.15 -0.43 -4.48 113.70 106.16 1du5 s SER 60 Ca 0.00 -0.51 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 1du5 s SER 60 Cb 0.00 0.70 0.03 0.00 -1.71 0.00 0.00 66.02 65.03 1du5 s SER 60 CO 0.00 -1.27 0.29 0.00 1.20 0.00 0.00 173.24 173.46 1du5 h ARG 62 N 5.06 0.32 -6.05 0.00 -0.00 -0.82 -3.40 114.38 109.49 1du5 h ARG 62 Ca -0.27 -0.12 -0.54 0.00 -0.50 0.00 0.00 59.98 58.54 1du5 h ARG 62 Cb 1.19 -0.02 -0.18 0.00 0.00 0.00 0.00 29.97 30.96 1du5 h ARG 62 CO 0.35 0.58 -0.79 0.95 0.00 0.00 0.00 179.97 181.06 1du5 s THR 63 N -4.79 1.91 -0.53 2.04 -4.23 -1.17 -4.80 115.64 104.06 1du5 s THR 63 Ca -0.14 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1du5 s THR 63 Cb 0.06 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1du5 s THR 63 CO 0.73 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1du5 n GLY 64 N 0.28 0.56 3.69 3.99 0.00 -0.18 -3.83 105.19 109.71 1du5 n GLY 64 Ca -0.13 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1du5 n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1du5 n ASP 65 N -0.79 3.62 -4.18 1.61 -0.08 -1.26 -3.93 116.55 111.54 1du5 n ASP 65 Ca -0.05 1.05 -0.39 0.00 -1.51 0.00 0.00 54.79 53.90 1du5 n ASP 65 Cb 0.45 -1.50 -0.10 0.00 2.34 0.00 0.00 41.12 42.31 1du5 n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1du5 n GLY 67 N 4.77 -0.26 2.49 0.00 0.00 -1.26 -1.79 105.19 109.13 1du5 n GLY 67 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1du5 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 68 N -0.52 0.73 3.72 -0.02 0.00 -1.26 -5.01 105.19 102.83 1du5 n GLY 68 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1du5 n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1du5 s VAL 69 N -2.94 4.07 -0.10 1.61 -7.23 -0.74 -1.35 120.40 113.72 1du5 s VAL 69 Ca 0.00 -1.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1du5 s VAL 69 Cb 0.00 -3.04 -0.26 0.00 0.56 0.00 0.00 36.38 33.64 1du5 s VAL 69 CO 0.00 -0.07 0.88 0.25 -0.31 0.00 0.00 175.10 175.85 1du5 h LEU 70 N 2.73 0.10 -7.99 1.32 6.46 -1.39 -3.41 115.31 113.13 1du5 h LEU 70 Ca -0.47 -0.91 -0.55 0.00 -0.12 0.00 0.00 57.88 55.83 1du5 h LEU 70 Cb 1.19 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 1du5 h LEU 70 CO 0.60 1.01 1.64 -1.10 -0.62 0.00 0.00 178.44 179.97 1du5 s GLN 71 N -2.58 3.44 0.05 1.25 -1.52 -1.26 -3.69 119.66 115.35 1du5 s GLN 71 Ca -0.17 -1.42 -0.34 0.00 -1.95 0.00 0.00 55.36 51.47 1du5 s GLN 71 Cb -0.01 -5.38 -0.13 0.00 -0.22 0.00 0.00 33.01 27.26 1du5 s GLN 71 CO 0.72 -2.70 1.67 0.00 -0.25 0.00 0.00 175.29 174.73 1du5 n THR 73 N 4.00 0.00 -4.53 0.00 -2.24 -1.26 -4.20 114.28 106.06 1du5 n THR 73 Ca 0.19 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1du5 n THR 73 Cb 0.27 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 1du5 n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1du5 s GLY 74 N -2.39 2.33 0.78 3.38 0.00 -1.26 -4.96 107.32 105.20 1du5 s GLY 74 Ca -0.01 -1.87 -0.13 0.00 0.00 0.00 0.00 44.72 42.72 1du5 s GLY 74 CO 0.25 -1.92 1.16 -0.19 0.00 0.00 0.00 173.10 172.39 1du5 s TYR 75 N -3.11 2.12 0.44 1.90 4.12 -1.26 -4.87 117.35 116.69 1du5 s TYR 75 Ca 0.32 1.64 0.08 0.00 0.02 0.00 0.00 57.07 59.13 1du5 s TYR 75 Cb 0.08 -3.31 0.01 0.00 -1.52 0.00 0.00 41.96 37.22 1du5 s TYR 75 CO 0.15 -2.37 0.57 0.20 0.02 0.00 0.00 175.55 174.11 1du5 s GLY 76 N -2.53 1.96 0.03 0.71 0.00 -1.26 -4.67 107.32 101.56 1du5 s GLY 76 Ca 0.69 -1.74 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 1du5 s GLY 76 CO 0.50 -1.54 0.51 0.50 0.00 0.00 0.00 173.10 173.07 1du5 s ARG 77 N -4.35 4.12 0.58 2.90 0.52 -0.59 -4.90 118.95 117.24 1du5 s ARG 77 Ca 0.55 0.61 -0.20 0.00 -0.52 0.00 0.00 55.73 56.16 1du5 s ARG 77 Cb -0.09 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1du5 s ARG 77 CO 0.33 0.61 1.34 0.00 0.02 0.00 0.00 175.30 177.60 1du5 n ALA 78 N 1.94 1.44 -2.27 2.13 0.00 -1.26 -1.01 120.51 121.47 1du5 n ALA 78 Ca -0.11 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 1du5 n ALA 78 Cb 0.51 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 1du5 n ALA 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1du5 s PRO 79 N -3.06 4.64 -0.29 0.00 0.04 -1.26 -4.74 135.00 130.33 1du5 s PRO 79 Ca 0.76 1.33 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 1du5 s PRO 79 Cb -0.40 -3.36 0.13 0.00 0.04 0.00 0.00 34.50 30.90 1du5 s PRO 79 CO 0.46 0.26 0.85 0.54 0.04 0.00 0.00 177.00 179.15 1du5 s ASN 80 N -0.11 -0.72 0.21 6.66 6.03 0.22 -3.87 114.94 123.36 1du5 s ASN 80 Ca 0.44 1.11 -0.30 0.00 -1.03 0.00 0.00 52.86 53.08 1du5 s ASN 80 Cb -0.23 1.44 -0.09 0.00 -3.03 0.00 0.00 41.25 39.34 1du5 s ASN 80 CO 0.28 -0.17 1.34 -0.89 -2.03 0.00 0.00 177.10 175.63 1du5 s THR 81 N 1.74 3.07 -0.08 0.54 2.01 -1.22 -4.36 115.64 117.34 1du5 s THR 81 Ca -0.08 0.89 0.04 0.00 0.31 0.00 0.00 61.69 62.85 1du5 s THR 81 Cb -0.05 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 1du5 s THR 81 CO -0.17 0.13 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.90 1du5 s LEU 82 N -0.15 2.03 -0.26 4.42 1.43 -0.55 -4.59 118.68 121.01 1du5 s LEU 82 Ca 0.57 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 1du5 s LEU 82 Cb -0.38 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1du5 s LEU 82 CO 0.39 0.16 0.28 0.00 0.23 0.00 0.00 176.35 177.42 1du5 s ALA 83 N 0.26 3.56 0.00 4.21 0.00 -0.58 -0.65 121.76 128.56 1du5 s ALA 83 Ca -0.15 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.01 1du5 s ALA 83 Cb -0.17 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1du5 s ALA 83 CO 0.07 -0.50 -0.24 -1.21 0.00 0.00 0.00 175.76 173.88 1du5 s GLU 84 N 1.71 1.81 0.16 0.00 2.02 -0.16 -0.85 118.70 123.39 1du5 s GLU 84 Ca 0.12 -0.91 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 1du5 s GLU 84 Cb -0.15 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.27 1du5 s GLU 84 CO 0.09 0.49 0.36 1.52 0.02 0.00 0.00 175.26 177.74 1du5 s TYR 85 N -0.64 0.11 -0.13 1.61 -0.85 -0.40 -1.53 117.35 115.53 1du5 s TYR 85 Ca 0.09 -0.47 -0.06 0.00 -0.52 0.00 0.00 57.07 56.11 1du5 s TYR 85 Cb -0.09 0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.44 1du5 s TYR 85 CO 0.00 -0.76 0.29 0.00 -1.52 0.00 0.00 175.55 173.57 1du5 s ALA 86 N -3.90 -0.69 -0.22 9.51 0.00 0.29 -2.26 121.76 124.49 1du5 s ALA 86 Ca 0.11 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1du5 s ALA 86 Cb 0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1du5 s ALA 86 CO -0.04 -0.38 0.16 -0.51 0.00 0.00 0.00 175.76 174.98 1du5 s LEU 87 N 1.73 4.15 -0.78 0.00 1.43 0.40 -0.80 118.68 124.82 1du5 s LEU 87 Ca -0.06 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1du5 s LEU 87 Cb -0.11 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1du5 s LEU 87 CO -0.10 0.10 0.67 1.17 0.23 0.00 0.00 176.35 178.43 1du5 n LYS 88 N 3.99 -1.39 0.00 1.70 4.81 -1.02 -1.77 118.16 124.48 1du5 n LYS 88 Ca -0.15 1.26 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1du5 n LYS 88 Cb 0.52 -4.72 0.00 0.00 0.02 0.00 0.00 35.03 30.85 1du5 n LYS 88 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1du5 n GLN 89 N -2.08 2.09 -1.36 1.64 1.13 -0.19 -4.41 117.38 114.20 1du5 n GLN 89 Ca -0.10 0.00 -0.53 0.00 -1.94 0.00 0.00 57.00 54.43 1du5 n GLN 89 Cb 0.56 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.84 1du5 n GLN 89 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1du5 n PHE 90 N 0.00 0.77 -3.50 1.08 7.35 -1.26 -1.76 117.46 120.13 1du5 n PHE 90 Ca 0.00 0.94 -0.25 0.00 -0.76 0.00 0.00 57.45 57.38 1du5 n PHE 90 Cb 0.00 -1.85 -0.00 0.00 0.35 0.00 0.00 39.48 37.98 1du5 n PHE 90 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1du5 n ASN 91 N 1.77 -3.79 -3.91 -2.13 5.15 -1.26 -1.93 115.26 109.16 1du5 n ASN 91 Ca 0.20 -0.49 -0.29 0.00 -0.60 0.00 0.00 54.58 53.40 1du5 n ASN 91 Cb 0.04 -3.12 0.02 0.00 -0.53 0.00 0.00 39.78 36.19 1du5 n ASN 91 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1du5 n ASN 92 N -2.37 -3.61 -4.66 1.20 3.02 -0.73 -4.96 115.26 103.15 1du5 n ASN 92 Ca -0.00 -0.83 -0.30 0.00 -0.03 0.00 0.00 54.58 53.42 1du5 n ASN 92 Cb 0.53 -3.74 -0.08 0.00 -0.61 0.00 0.00 39.78 35.88 1du5 n ASN 92 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1du5 s LEU 93 N -7.14 3.39 0.01 3.41 1.43 -0.81 -0.74 118.68 118.22 1du5 s LEU 93 Ca 0.49 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1du5 s LEU 93 Cb -0.25 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1du5 s LEU 93 CO 0.84 0.19 0.24 -1.81 0.23 0.00 0.00 176.35 176.04 1du5 s ASP 94 N -2.15 6.44 -0.06 2.29 1.01 0.73 -1.02 116.67 123.90 1du5 s ASP 94 Ca 0.24 0.46 0.06 0.00 0.71 0.00 0.00 52.55 54.02 1du5 s ASP 94 Cb -0.12 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1du5 s ASP 94 CO 0.16 0.24 -0.24 -0.36 0.21 0.00 0.00 175.17 175.17 1du5 s PHE 95 N -1.35 2.46 0.12 4.23 0.40 0.02 -1.77 117.98 122.09 1du5 s PHE 95 Ca 0.29 -0.73 -0.23 0.00 -0.60 0.00 0.00 56.93 55.66 1du5 s PHE 95 Cb -0.13 -1.61 0.06 0.00 0.51 0.00 0.00 43.02 41.85 1du5 s PHE 95 CO 0.18 -0.22 0.57 -0.59 0.70 0.00 0.00 175.22 175.86 1du5 s PHE 96 N -0.13 -0.49 0.22 0.36 -0.12 -0.56 -0.55 117.98 116.71 1du5 s PHE 96 Ca -0.04 0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 56.96 1du5 s PHE 96 Cb -0.14 0.48 0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1du5 s PHE 96 CO 0.04 -0.78 0.89 0.16 -0.05 0.00 0.00 175.22 175.48 1du5 s ASP 97 N -2.53 -0.15 -0.10 1.98 -4.77 -0.58 -1.65 116.67 108.86 1du5 s ASP 97 Ca -0.00 -0.58 0.01 0.00 -3.30 0.00 0.00 52.55 48.68 1du5 s ASP 97 Cb -0.00 0.59 -0.02 0.00 -1.09 0.00 0.00 42.92 42.40 1du5 s ASP 97 CO -0.10 -1.12 -0.15 -0.63 0.70 0.00 0.00 175.17 173.88 1du5 s ILE 98 N -3.19 2.96 -0.04 2.11 1.01 -1.26 -0.99 121.20 121.80 1du5 s ILE 98 Ca 0.14 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1du5 s ILE 98 Cb -0.03 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1du5 s ILE 98 CO 0.05 0.55 -0.25 -0.55 0.00 0.00 0.00 174.94 174.73 1du5 s SER 99 N -0.00 3.05 -0.00 3.58 0.15 0.18 -1.01 113.70 119.64 1du5 s SER 99 Ca -0.04 -0.49 0.09 0.00 0.70 0.00 0.00 55.95 56.21 1du5 s SER 99 Cb -0.14 -0.62 0.26 0.00 -1.71 0.00 0.00 66.02 63.81 1du5 s SER 99 CO 0.04 0.28 1.22 0.18 1.20 0.00 0.00 173.24 176.15 1du5 n LEU 100 N 2.73 2.79 -0.19 3.45 4.77 -0.51 -1.49 117.00 128.55 1du5 n LEU 100 Ca -0.17 -2.01 0.08 0.00 -0.03 0.00 0.00 56.01 53.88 1du5 n LEU 100 Cb 0.52 -0.20 0.37 0.00 -2.33 0.00 0.00 43.42 41.78 1du5 n LEU 100 CO 0.24 0.69 1.22 0.40 -1.33 0.00 0.00 177.39 178.61 1du5 h ILE 101 N 1.70 0.98 -0.96 -0.08 2.04 -1.77 -0.36 117.51 119.05 1du5 h ILE 101 Ca 0.00 -0.25 -0.58 0.00 1.00 0.00 0.00 64.86 65.03 1du5 h ILE 101 Cb 0.70 0.20 -0.29 0.00 -0.74 0.00 0.00 36.82 36.69 1du5 h ILE 101 CO 0.00 0.13 0.75 0.47 0.00 0.00 0.00 178.15 179.50 1du5 n ASP 102 N -4.49 5.83 0.00 1.72 8.00 -1.26 -4.57 116.55 121.77 1du5 n ASP 102 Ca 0.12 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.97 1du5 n ASP 102 Cb 0.28 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1du5 n ASP 102 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1du5 n GLY 103 N -0.95 -2.27 3.01 0.44 0.00 -0.15 -0.61 105.19 104.66 1du5 n GLY 103 Ca 0.59 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 1du5 n GLY 103 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1du5 s PHE 104 N -0.70 1.20 0.10 1.61 5.36 -0.19 -3.38 117.98 121.97 1du5 s PHE 104 Ca 0.00 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1du5 s PHE 104 Cb 0.00 -0.88 0.00 0.00 -0.34 0.00 0.00 43.02 41.80 1du5 s PHE 104 CO 0.00 -0.19 0.00 0.27 -1.46 0.00 0.00 175.22 173.84 1du5 n ASN 105 N 3.59 0.92 -4.77 6.13 6.94 -1.26 -3.37 115.26 123.44 1du5 n ASN 105 Ca -0.21 0.14 -0.22 0.00 -0.02 0.00 0.00 54.58 54.26 1du5 n ASN 105 Cb 0.53 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.63 1du5 n ASN 105 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1du5 s VAL 106 N -2.00 4.16 0.55 3.53 -7.23 -1.26 -4.91 120.40 113.24 1du5 s VAL 106 Ca 0.00 -1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 1du5 s VAL 106 Cb 0.00 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 1du5 s VAL 106 CO 0.00 -0.34 1.21 -2.84 -0.31 0.00 0.00 175.10 172.82 1du5 s PRO 107 N -3.75 3.24 0.04 4.82 0.02 -1.26 -4.71 135.00 133.40 1du5 s PRO 107 Ca 0.32 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 1du5 s PRO 107 Cb -0.08 -2.10 -0.02 0.00 0.02 0.00 0.00 34.50 32.33 1du5 s PRO 107 CO 0.23 -1.00 0.08 1.41 -0.33 0.00 0.00 177.00 177.39 1du5 s MET 108 N -3.11 0.61 0.01 5.54 1.75 -0.27 -0.45 119.30 123.38 1du5 s MET 108 Ca 0.73 -0.85 0.01 0.00 -1.25 0.00 0.00 55.69 54.33 1du5 s MET 108 Cb -0.30 0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.59 1du5 s MET 108 CO 0.35 -0.15 -0.04 -1.12 -0.65 0.00 0.00 175.02 173.40 1du5 s SER 109 N -2.32 0.50 -0.33 1.11 0.01 -0.74 -0.27 113.70 111.65 1du5 s SER 109 Ca -0.02 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.02 1du5 s SER 109 Cb 0.01 -0.02 0.12 0.00 0.21 0.00 0.00 66.02 66.34 1du5 s SER 109 CO -0.06 -0.04 0.17 0.12 0.41 0.00 0.00 173.24 173.84 1du5 s PHE 110 N -0.47 0.91 0.09 2.43 5.36 -0.03 -1.77 117.98 124.50 1du5 s PHE 110 Ca -0.03 -1.49 0.10 0.00 -0.96 0.00 0.00 56.93 54.55 1du5 s PHE 110 Cb -0.04 -1.16 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1du5 s PHE 110 CO -0.00 -0.83 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.15 1du5 s LEU 111 N 1.41 2.25 0.43 6.12 1.43 -0.03 -2.90 118.68 127.40 1du5 s LEU 111 Ca 0.14 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1du5 s LEU 111 Cb -0.20 -1.23 -0.11 0.00 0.03 0.00 0.00 46.19 44.68 1du5 s LEU 111 CO -0.16 0.21 0.86 -0.81 0.23 0.00 0.00 176.35 176.68 1du5 n PRO 112 N 1.30 1.05 -2.64 1.29 -0.04 -1.26 -0.54 135.00 134.16 1du5 n PRO 112 Ca -0.18 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1du5 n PRO 112 Cb 0.53 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1du5 n PRO 112 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1du5 n ASP 113 N 0.65 1.79 0.00 3.54 4.64 0.94 -4.70 116.55 123.42 1du5 n ASP 113 Ca 0.10 -2.81 0.00 0.00 -1.38 0.00 0.00 54.79 50.70 1du5 n ASP 113 Cb 0.40 -0.52 0.00 0.00 -1.04 0.00 0.00 41.12 39.96 1du5 n ASP 113 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1du5 n GLY 114 N -0.11 -2.44 1.78 0.27 0.00 -1.26 -4.53 105.19 98.90 1du5 n GLY 114 Ca 0.12 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1du5 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1du5 n GLY 115 N -0.31 1.91 3.62 -0.02 0.00 -1.26 -1.30 105.19 107.84 1du5 n GLY 115 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1du5 n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1du5 n SER 116 N 0.00 -1.84 -1.08 1.61 3.41 -1.26 -4.18 113.62 110.27 1du5 n SER 116 Ca 0.00 -2.10 0.05 0.00 -0.26 0.00 0.00 58.87 56.56 1du5 n SER 116 Cb 0.00 3.02 0.21 0.00 -0.26 0.00 0.00 64.21 67.18 1du5 n SER 116 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1du5 n GLY 117 N -0.62 1.80 3.73 5.00 0.00 -1.26 -4.93 105.19 108.90 1du5 n GLY 117 Ca -0.04 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1du5 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1du5 n SER 119 N 3.31 3.95 -4.76 0.00 3.41 -1.26 -4.76 113.62 113.50 1du5 n SER 119 Ca 0.10 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.30 1du5 n SER 119 Cb 0.41 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 1du5 n SER 119 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1du5 s ARG 120 N -1.86 4.46 0.11 4.33 0.52 -1.26 -4.60 118.95 120.65 1du5 s ARG 120 Ca 0.00 2.06 -0.18 0.00 -0.52 0.00 0.00 55.73 57.09 1du5 s ARG 120 Cb 0.00 -3.12 0.04 0.00 0.52 0.00 0.00 34.95 32.39 1du5 s ARG 120 CO 0.00 -0.04 0.44 0.20 0.02 0.00 0.00 175.30 175.91 1du5 s GLY 121 N -0.59 -0.33 0.41 -3.53 0.00 -1.26 -4.52 107.32 97.50 1du5 s GLY 121 Ca 0.48 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 45.10 1du5 s GLY 121 CO 0.48 -0.16 0.93 2.56 0.00 0.00 0.00 173.10 176.90 1du5 s PRO 122 N -3.54 4.22 -0.01 2.90 0.04 -1.14 -4.92 135.00 132.54 1du5 s PRO 122 Ca 0.01 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 62.05 1du5 s PRO 122 Cb 0.01 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1du5 s PRO 122 CO -0.10 0.00 0.19 -0.98 0.04 0.00 0.00 177.00 176.14 1du5 s ARG 123 N -3.11 0.48 -0.40 4.56 1.70 -1.26 -0.85 118.95 120.07 1du5 s ARG 123 Ca 0.61 -0.24 0.08 0.00 -0.47 0.00 0.00 55.73 55.71 1du5 s ARG 123 Cb -0.10 0.21 0.24 0.00 -0.57 0.00 0.00 34.95 34.74 1du5 s ARG 123 CO 0.14 -0.11 0.52 0.00 -1.08 0.00 0.00 175.30 174.77 1du5 n ALA 125 N 1.51 2.48 -2.49 0.00 0.00 -1.24 -1.11 120.51 119.65 1du5 n ALA 125 Ca 0.21 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1du5 n ALA 125 Cb 0.53 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 1du5 n ALA 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1du5 s VAL 126 N -1.69 5.00 -1.16 0.00 0.11 -1.26 -4.90 120.40 116.50 1du5 s VAL 126 Ca 0.22 0.36 -0.21 0.00 -2.93 0.00 0.00 61.98 59.42 1du5 s VAL 126 Cb 0.12 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 1du5 s VAL 126 CO 0.16 -0.02 1.73 -0.62 -3.33 0.00 0.00 175.10 173.02 1du5 s ASP 127 N -2.35 6.18 0.56 3.54 2.15 -1.26 -4.73 116.67 120.76 1du5 s ASP 127 Ca 0.45 -1.84 0.25 0.00 0.43 0.00 0.00 52.55 51.84 1du5 s ASP 127 Cb -0.12 -2.58 1.62 0.00 -0.30 0.00 0.00 42.92 41.54 1du5 s ASP 127 CO 0.22 -1.84 2.20 0.58 -0.17 0.00 0.00 175.17 176.17 1du5 h VAL 128 N 6.19 0.68 0.00 1.11 2.07 -1.94 -2.36 116.25 121.99 1du5 h VAL 128 Ca 0.30 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 1du5 h VAL 128 Cb 0.93 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1du5 h VAL 128 CO 1.37 0.02 -0.18 0.78 0.02 0.00 0.00 177.57 179.59 1du5 h ASN 129 N 0.00 0.00 -0.59 0.57 2.35 -1.92 -3.16 115.58 112.83 1du5 h ASN 129 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1du5 h ASN 129 Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1du5 h ASN 129 CO 0.00 0.18 0.12 0.00 -1.65 0.00 0.00 177.43 176.08 1du5 h ALA 130 N 1.82 0.78 -0.32 -0.83 0.00 -1.83 -3.04 119.26 115.85 1du5 h ALA 130 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1du5 h ALA 130 Cb 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1du5 h ALA 130 CO 0.02 0.52 0.01 0.54 0.00 0.00 0.00 179.25 180.34 1du5 n ARG 131 N -4.33 3.02 -1.74 0.00 1.74 -1.24 -5.04 116.66 109.07 1du5 n ARG 131 Ca 0.03 -2.91 -0.42 0.00 -0.77 0.00 0.00 57.85 53.78 1du5 n ARG 131 Cb 0.26 -1.90 -0.01 0.00 -1.02 0.00 0.00 32.46 29.79 1du5 n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1du5 n PRO 133 N 1.11 2.37 -0.33 0.00 -0.02 -1.26 -4.89 135.00 131.98 1du5 n PRO 133 Ca 0.05 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.43 1du5 n PRO 133 Cb 0.37 -2.69 0.11 0.00 -0.02 0.00 0.00 33.50 31.27 1du5 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du5 n ALA 134 N 5.08 0.16 0.26 3.55 0.00 -1.26 -0.65 120.51 127.66 1du5 n ALA 134 Ca 0.19 0.98 0.11 0.00 0.00 0.00 0.00 53.44 54.72 1du5 n ALA 134 Cb 0.32 -0.56 0.73 0.00 0.00 0.00 0.00 19.45 19.93 1du5 n ALA 134 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1du5 h GLU 135 N 0.00 0.00 0.00 0.00 9.09 -2.02 -2.32 114.58 119.34 1du5 h GLU 135 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1du5 h GLU 135 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 1du5 h GLU 135 CO -0.93 0.09 -0.61 1.28 0.05 0.00 0.00 179.01 178.89 1du5 n LEU 136 N -3.91 0.58 -4.68 3.06 4.77 0.18 -4.88 117.00 112.12 1du5 n LEU 136 Ca -0.02 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1du5 n LEU 136 Cb 0.18 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1du5 n LEU 136 CO 0.31 0.11 1.39 -0.13 -1.33 0.00 0.00 177.39 177.74 1du5 s ARG 137 N -3.04 4.18 -0.14 3.23 0.52 -0.87 -1.44 118.95 121.39 1du5 s ARG 137 Ca 0.10 2.36 -0.18 0.00 -0.52 0.00 0.00 55.73 57.49 1du5 s ARG 137 Cb 0.17 -3.80 0.04 0.00 0.52 0.00 0.00 34.95 31.88 1du5 s ARG 137 CO 0.73 -0.81 0.46 -1.14 0.02 0.00 0.00 175.30 174.57 1du5 s GLN 138 N 3.32 0.62 -1.47 3.54 0.74 -0.25 -4.92 119.66 121.23 1du5 s GLN 138 Ca 0.77 0.47 -0.13 0.00 0.05 0.00 0.00 55.36 56.51 1du5 s GLN 138 Cb -0.39 0.30 0.10 0.00 1.10 0.00 0.00 33.01 34.12 1du5 s GLN 138 CO 0.33 -0.11 0.70 -0.25 -0.55 0.00 0.00 175.29 175.41 1du5 n ASP 139 N 2.37 -3.92 0.00 6.67 10.43 -1.26 -0.69 116.55 130.15 1du5 n ASP 139 Ca -0.15 -0.66 0.00 0.00 2.57 0.00 0.00 54.79 56.54 1du5 n ASP 139 Cb 0.57 -3.20 0.00 0.00 1.84 0.00 0.00 41.12 40.33 1du5 n ASP 139 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1du5 n GLY 140 N -1.36 0.73 0.86 0.44 0.00 -1.26 -4.92 105.19 99.68 1du5 n GLY 140 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1du5 n GLY 140 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1du5 n VAL 141 N -2.00 0.00 -3.58 1.61 0.24 0.14 -5.09 118.33 109.65 1du5 n VAL 141 Ca 0.00 -0.63 -0.39 0.00 -2.04 0.00 0.00 64.34 61.28 1du5 n VAL 141 Cb 0.00 0.26 -0.11 0.00 -1.47 0.00 0.00 33.84 32.52 1du5 n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1du5 s ASN 143 N 1.70 5.25 0.43 0.00 3.84 -0.52 -1.02 114.94 124.61 1du5 s ASN 143 Ca 0.06 -0.39 0.07 0.00 0.21 0.00 0.00 52.86 52.81 1du5 s ASN 143 Cb -0.17 -0.42 -0.03 0.00 -0.55 0.00 0.00 41.25 40.07 1du5 s ASN 143 CO 0.09 -1.14 0.26 0.21 -2.79 0.00 0.00 177.10 173.74 1du5 s ASN 144 N -4.49 4.65 0.18 -4.21 3.84 -1.26 -4.80 114.94 108.84 1du5 s ASN 144 Ca 0.59 -0.99 -0.09 0.00 0.21 0.00 0.00 52.86 52.57 1du5 s ASN 144 Cb -0.09 -0.41 0.06 0.00 -0.55 0.00 0.00 41.25 40.26 1du5 s ASN 144 CO 0.37 -0.64 1.62 0.00 -2.79 0.00 0.00 177.10 175.67 1du5 h ALA 145 N 1.23 0.81 0.58 1.71 0.00 -1.93 -3.12 119.26 118.54 1du5 h ALA 145 Ca -0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1du5 h ALA 145 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1du5 h ALA 145 CO 0.65 0.67 -0.43 0.00 0.00 0.00 0.00 179.25 180.14 1du5 h PRO 147 N -0.99 0.00 0.03 0.00 0.13 -1.82 -0.27 132.00 129.08 1du5 h PRO 147 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 1du5 h PRO 147 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1du5 h PRO 147 CO 0.02 0.05 -0.35 0.28 -0.23 0.00 0.00 178.00 177.77 1du5 h VAL 148 N 0.00 1.60 -0.01 1.56 2.07 -1.45 -3.39 116.25 116.62 1du5 h VAL 148 Ca -0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 1du5 h VAL 148 Cb 0.13 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1du5 h VAL 148 CO 0.01 0.59 -0.40 0.49 0.02 0.00 0.00 177.57 178.27 1du5 n PHE 149 N -4.49 0.00 -4.37 1.57 3.72 0.04 -4.98 117.46 108.96 1du5 n PHE 149 Ca -0.14 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.88 1du5 n PHE 149 Cb 0.58 -0.04 -0.07 0.00 -0.94 0.00 0.00 39.48 39.01 1du5 n PHE 149 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1du5 n LYS 150 N -0.22 -1.62 -4.57 -1.08 5.02 -0.12 -4.93 118.16 110.63 1du5 n LYS 150 Ca 0.10 0.21 -0.27 0.00 -2.02 0.00 0.00 58.31 56.33 1du5 n LYS 150 Cb 0.43 -4.57 -0.14 0.00 -0.02 0.00 0.00 35.03 30.73 1du5 n LYS 150 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1du5 s LYS 151 N -7.14 1.45 0.24 1.97 2.20 -1.26 -5.03 119.74 112.18 1du5 s LYS 151 Ca 0.57 -1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1du5 s LYS 151 Cb -0.33 -1.71 0.46 0.00 -1.51 0.00 0.00 37.83 34.74 1du5 s LYS 151 CO 0.99 0.42 1.71 -0.44 -0.36 0.00 0.00 175.35 177.67 1du5 h ASP 152 N 4.42 0.16 -0.02 1.43 3.45 -1.97 -0.70 116.42 123.20 1du5 h ASP 152 Ca -0.47 0.13 0.01 0.00 0.43 0.00 0.00 57.03 57.13 1du5 h ASP 152 Cb 1.16 0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1du5 h ASP 152 CO 0.42 0.04 0.03 -0.08 -1.57 0.00 0.00 179.24 178.07 1du5 h GLU 153 N 0.36 0.00 0.00 3.56 4.81 -1.96 0.14 114.58 121.48 1du5 h GLU 153 Ca 0.42 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.39 1du5 h GLU 153 Cb 0.67 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1du5 h GLU 153 CO -0.45 0.00 -2.02 0.66 -0.73 0.00 0.00 179.01 176.47 1du5 n TYR 154 N -3.64 0.00 -0.03 0.92 4.01 -0.53 -4.67 117.16 113.21 1du5 n TYR 154 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1du5 n TYR 154 Cb 0.11 -0.72 -0.14 0.00 -0.31 0.00 0.00 39.34 38.27 1du5 n TYR 154 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1du5 s VAL 157 N -3.09 4.45 0.00 0.00 1.01 -1.26 -2.19 120.40 119.31 1du5 s VAL 157 Ca 0.45 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1du5 s VAL 157 Cb -0.22 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.87 1du5 s VAL 157 CO 0.55 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.63 1du5 n GLY 158 N 2.10 3.68 0.07 4.51 0.00 -1.26 -1.77 105.19 112.52 1du5 n GLY 158 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1du5 n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1du5 n SER 159 N 8.19 0.34 0.19 1.61 7.64 -1.26 -1.28 113.62 129.05 1du5 n SER 159 Ca 0.00 0.59 0.13 0.00 1.01 0.00 0.00 58.87 60.60 1du5 n SER 159 Cb 0.00 -0.66 0.30 0.00 -1.01 0.00 0.00 64.21 62.84 1du5 n SER 159 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1du5 h ALA 160 N 2.34 1.00 -0.78 -0.43 0.00 -1.58 -3.28 119.26 116.53 1du5 h ALA 160 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1du5 h ALA 160 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1du5 h ALA 160 CO 0.00 0.00 0.48 0.00 0.00 0.00 0.00 179.25 179.73 1du5 h ALA 161 N 2.16 1.05 -1.02 0.00 0.00 -0.69 -2.52 119.26 118.25 1du5 h ALA 161 Ca 0.00 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1du5 h ALA 161 Cb 0.85 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1du5 h ALA 161 CO 0.00 0.22 0.66 -0.91 0.00 0.00 0.00 179.25 179.22 1du5 h ASN 162 N 0.89 0.47 -0.49 0.00 4.21 -1.75 -1.20 115.58 117.71 1du5 h ASN 162 Ca 0.33 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.92 1du5 h ASN 162 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1du5 h ASN 162 CO -0.16 0.11 0.00 -0.67 -1.29 0.00 0.00 177.43 175.42 1du5 n ASP 163 N -4.62 3.57 -4.66 5.81 -0.08 -0.96 -4.99 116.55 110.62 1du5 n ASP 163 Ca 0.24 -1.99 -0.42 0.00 -1.51 0.00 0.00 54.79 51.11 1du5 n ASP 163 Cb 0.83 -0.32 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 1du5 n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1du5 s HIS 165 N 4.02 1.66 0.69 0.00 3.76 -1.26 -4.92 115.29 119.24 1du5 s HIS 165 Ca 0.79 -0.93 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 1du5 s HIS 165 Cb -0.38 -0.98 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1du5 s HIS 165 CO 0.34 -0.03 1.23 -2.14 -0.85 0.00 0.00 174.74 173.30 1du5 s PRO 166 N -3.87 2.34 0.47 8.40 0.02 -1.26 -4.99 135.00 136.11 1du5 s PRO 166 Ca 0.31 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.19 1du5 s PRO 166 Cb 0.06 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 1du5 s PRO 166 CO 0.10 -1.70 0.08 0.95 -0.33 0.00 0.00 177.00 176.10 1du5 s THR 167 N -1.80 0.73 0.31 0.99 -4.23 -1.26 -5.01 115.64 105.37 1du5 s THR 167 Ca 0.77 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.49 1du5 s THR 167 Cb -0.31 -2.17 0.21 0.00 1.34 0.00 0.00 72.50 71.57 1du5 s THR 167 CO 0.42 0.00 1.91 -0.55 -0.54 0.00 0.00 174.62 175.86 1du5 h ASN 168 N 1.53 0.00 0.28 3.99 -1.07 -1.99 -2.47 115.58 115.84 1du5 h ASN 168 Ca -0.38 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 55.65 1du5 h ASN 168 Cb 1.30 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.58 1du5 h ASN 168 CO 0.62 0.24 -1.52 1.88 0.07 0.00 0.00 177.43 178.73 1du5 h TYR 169 N 0.00 0.92 -0.38 4.14 0.99 -2.00 -3.03 116.97 117.61 1du5 h TYR 169 Ca -0.00 -0.67 -0.11 0.00 2.00 0.00 0.00 58.73 59.94 1du5 h TYR 169 Cb 0.59 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.27 1du5 h TYR 169 CO 0.00 1.57 -0.22 0.66 -0.00 0.00 0.00 178.16 180.17 1du5 h SER 170 N 0.14 0.76 -0.25 3.88 4.64 -1.81 -1.61 113.55 119.30 1du5 h SER 170 Ca -0.26 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1du5 h SER 170 Cb 2.15 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 64.02 1du5 h SER 170 CO 0.26 0.96 0.17 0.03 -0.87 0.00 0.00 176.83 177.38 1du5 h ARG 171 N 0.66 0.26 0.33 4.77 3.08 -1.56 -0.04 114.38 121.88 1du5 h ARG 171 Ca 0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1du5 h ARG 171 Cb 0.72 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1du5 h ARG 171 CO 0.06 0.17 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.01 1du5 h TYR 172 N 0.26 -0.50 -0.48 3.04 3.20 -1.15 -1.94 116.97 119.40 1du5 h TYR 172 Ca 0.10 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1du5 h TYR 172 Cb 0.09 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1du5 h TYR 172 CO -0.00 -0.30 -0.07 0.74 -1.64 0.00 0.00 178.16 176.89 1du5 h PHE 173 N -0.50 0.93 0.00 -3.82 0.04 -1.29 -2.28 116.94 110.02 1du5 h PHE 173 Ca -0.04 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.52 1du5 h PHE 173 Cb 0.40 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1du5 h PHE 173 CO -0.08 0.89 -0.23 -0.22 -0.60 0.00 0.00 178.31 178.07 1du5 h LYS 174 N 0.78 0.00 -0.24 1.51 1.63 -0.95 0.14 116.57 119.44 1du5 h LYS 174 Ca 0.14 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.74 1du5 h LYS 174 Cb 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1du5 h LYS 174 CO 0.03 0.23 -0.60 0.78 -3.45 0.00 0.00 179.45 176.44 1du5 h GLY 175 N 1.12 0.87 0.66 5.01 0.00 -0.79 -2.70 103.07 107.23 1du5 h GLY 175 Ca -0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 1du5 h GLY 175 CO 0.03 0.96 -0.07 1.46 0.00 0.00 0.00 176.54 178.92 1du5 h GLN 176 N 0.59 0.20 -2.62 4.80 7.50 -0.95 -3.41 115.11 121.23 1du5 h GLN 176 Ca -0.00 -0.10 -0.58 0.00 0.50 0.00 0.00 58.65 58.47 1du5 h GLN 176 Cb 1.21 -0.00 -0.39 0.00 0.05 0.00 0.00 27.48 28.35 1du5 h GLN 176 CO 0.13 0.60 -0.84 0.00 -1.50 0.00 0.00 178.83 177.22 1du5 h PRO 178 N 7.06 0.00 0.00 0.00 0.11 -1.72 -2.84 132.00 134.61 1du5 h PRO 178 Ca 0.04 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.96 1du5 h PRO 178 Cb 0.97 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1du5 h PRO 178 CO 0.28 0.00 -0.97 -0.44 -0.21 0.00 0.00 178.00 176.66 1du5 h ASP 179 N 0.00 0.00 -3.74 -2.05 3.32 -1.87 -3.45 116.42 108.63 1du5 h ASP 179 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 1du5 h ASP 179 Cb 0.12 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.70 1du5 h ASP 179 CO 0.00 0.89 0.16 0.00 -1.72 0.00 0.00 179.24 178.57 1du5 s ALA 180 N -2.75 3.34 -0.30 3.45 0.00 -1.07 -4.32 121.76 120.10 1du5 s ALA 180 Ca 0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1du5 s ALA 180 Cb 0.09 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1du5 s ALA 180 CO 0.81 -0.29 1.68 0.71 0.00 0.00 0.00 175.76 178.67 1du5 s TYR 181 N -2.68 1.99 0.04 0.00 1.51 -0.18 -4.81 117.35 113.21 1du5 s TYR 181 Ca 0.50 0.60 0.10 0.00 -1.01 0.00 0.00 57.07 57.25 1du5 s TYR 181 Cb -0.10 -4.11 -0.22 0.00 -0.11 0.00 0.00 41.96 37.42 1du5 s TYR 181 CO 0.42 -2.83 0.97 0.66 -1.11 0.00 0.00 175.55 173.65 1du5 h SER 182 N 11.84 0.00 -5.33 2.29 4.64 -1.90 -1.35 113.55 123.74 1du5 h SER 182 Ca -0.33 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.87 1du5 h SER 182 Cb 1.15 -0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.13 1du5 h SER 182 CO 1.03 1.00 -0.31 -0.72 -0.87 0.00 0.00 176.83 176.96 1du5 s TYR 183 N -2.65 0.55 0.30 4.77 -0.85 -1.26 -4.45 117.35 113.75 1du5 s TYR 183 Ca -0.02 -0.88 0.04 0.00 -0.52 0.00 0.00 57.07 55.69 1du5 s TYR 183 Cb 0.09 -0.07 0.76 0.00 0.38 0.00 0.00 41.96 43.12 1du5 s TYR 183 CO 0.82 -0.81 1.68 -1.35 -1.52 0.00 0.00 175.55 174.37 1du5 h PRO 184 N 2.45 0.33 -0.88 -3.49 0.11 -1.87 -2.85 132.00 125.80 1du5 h PRO 184 Ca -0.30 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.23 1du5 h PRO 184 Cb 1.24 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.99 1du5 h PRO 184 CO 0.44 0.22 0.46 1.63 -0.21 0.00 0.00 178.00 180.54 1du5 n LYS 185 N -5.10 2.60 -0.73 1.05 4.76 -1.26 -4.57 118.16 114.91 1du5 n LYS 185 Ca 0.23 -3.34 -0.14 0.00 -2.87 0.00 0.00 58.31 52.19 1du5 n LYS 185 Cb 0.70 -2.20 0.08 0.00 -1.84 0.00 0.00 35.03 31.77 1du5 n LYS 185 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1du5 n ASP 186 N -0.97 4.35 -0.14 4.39 4.64 -1.08 -4.57 116.55 123.17 1du5 n ASP 186 Ca 0.56 -2.93 -0.05 0.00 -1.38 0.00 0.00 54.79 50.98 1du5 n ASP 186 Cb 1.00 -0.79 0.13 0.00 -1.04 0.00 0.00 41.12 40.42 1du5 n ASP 186 CO 0.00 0.00 0.00 0.44 -0.82 0.00 0.00 177.20 176.82 1du5 h ASP 187 N 0.82 0.83 -0.36 1.67 5.19 -1.87 -2.88 116.42 119.82 1du5 h ASP 187 Ca 0.33 -0.21 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1du5 h ASP 187 Cb 1.66 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1du5 h ASP 187 CO 0.66 0.89 0.24 0.00 -3.12 0.00 0.00 179.24 177.91 1du5 h ALA 188 N 1.20 1.97 0.00 3.45 0.00 -1.98 -2.44 119.26 121.46 1du5 h ALA 188 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1du5 h ALA 188 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1du5 h ALA 188 CO 0.02 -0.04 -1.58 0.25 0.00 0.00 0.00 179.25 177.91 1du5 n THR 189 N -4.48 0.00 0.14 0.00 -2.24 -1.21 -4.69 114.28 101.80 1du5 n THR 189 Ca 0.04 -0.33 0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1du5 n THR 189 Cb 0.22 0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.88 1du5 n THR 189 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1du5 n SER 190 N -1.95 2.79 -4.66 3.42 7.64 -0.95 -4.81 113.62 115.11 1du5 n SER 190 Ca -0.02 -1.83 -0.38 0.00 1.01 0.00 0.00 58.87 57.65 1du5 n SER 190 Cb 0.40 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1du5 n SER 190 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1du5 s THR 191 N -1.10 5.19 0.06 0.44 2.01 -1.04 -4.59 115.64 116.61 1du5 s THR 191 Ca 0.25 0.67 0.08 0.00 0.31 0.00 0.00 61.69 63.00 1du5 s THR 191 Cb 0.14 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1du5 s THR 191 CO 0.20 0.23 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.80 1du5 s PHE 192 N 1.49 2.51 0.13 4.92 0.40 -0.66 -5.02 117.98 121.75 1du5 s PHE 192 Ca 0.18 -0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 1du5 s PHE 192 Cb -0.15 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1du5 s PHE 192 CO 0.08 0.26 -0.19 0.95 0.70 0.00 0.00 175.22 177.02 1du5 s THR 193 N -0.94 1.70 -0.01 0.64 -4.23 -1.26 -1.50 115.64 110.04 1du5 s THR 193 Ca 0.15 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1du5 s THR 193 Cb -0.10 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1du5 s THR 193 CO 0.06 -0.20 0.14 0.00 -0.54 0.00 0.00 174.62 174.08 1du5 n PRO 195 N 1.82 1.18 -2.00 0.00 -0.02 -1.26 -0.19 135.00 134.53 1du5 n PRO 195 Ca -0.20 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1du5 n PRO 195 Cb 0.56 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1du5 n PRO 195 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1du5 s ALA 196 N -1.40 3.67 0.00 3.55 0.00 0.08 -2.78 121.76 124.88 1du5 s ALA 196 Ca 0.77 1.32 0.00 0.00 0.00 0.00 0.00 51.96 54.05 1du5 s ALA 196 Cb -0.41 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1du5 s ALA 196 CO 0.45 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1du5 n GLY 197 N 2.82 1.73 3.74 0.00 0.00 -1.26 -5.03 105.19 107.18 1du5 n GLY 197 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1du5 n GLY 197 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1du5 s THR 198 N -1.58 2.32 0.33 2.61 2.01 -1.12 -4.46 115.64 115.76 1du5 s THR 198 Ca 0.00 0.19 0.10 0.00 0.31 0.00 0.00 61.69 62.29 1du5 s THR 198 Cb 0.00 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 1du5 s THR 198 CO 0.00 -0.05 -0.05 0.20 -0.69 0.00 0.00 174.62 174.03 1du5 s ASN 199 N -1.60 4.00 0.10 3.53 0.01 -0.42 -4.65 114.94 115.91 1du5 s ASN 199 Ca 0.79 -1.03 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1du5 s ASN 199 Cb -0.33 -0.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.82 1du5 s ASN 199 CO 0.38 -0.18 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.46 1du5 s TYR 200 N -2.53 0.80 -0.11 2.20 1.51 -0.58 -0.04 117.35 118.61 1du5 s TYR 200 Ca 0.33 -1.04 0.02 0.00 -1.01 0.00 0.00 57.07 55.37 1du5 s TYR 200 Cb -0.00 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 1du5 s TYR 200 CO 0.18 -0.30 -0.15 0.21 -1.11 0.00 0.00 175.55 174.38 1du5 s LYS 201 N -3.91 2.17 -0.19 -0.62 2.20 0.30 -0.76 119.74 118.93 1du5 s LYS 201 Ca 0.14 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1du5 s LYS 201 Cb 0.07 -1.85 -0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1du5 s LYS 201 CO -0.04 -0.06 -0.11 0.08 -0.36 0.00 0.00 175.35 174.85 1du5 s VAL 202 N 0.99 2.89 -0.11 4.02 1.01 -0.05 -0.85 120.40 128.29 1du5 s VAL 202 Ca -0.07 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1du5 s VAL 202 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1du5 s VAL 202 CO -0.01 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.67 1du5 s VAL 203 N 1.15 1.86 -0.16 2.92 1.01 -0.73 -1.32 120.40 125.13 1du5 s VAL 203 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1du5 s VAL 203 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1du5 s VAL 203 CO -0.04 0.51 0.50 -0.36 0.00 0.00 0.00 175.10 175.71 1du5 s PHE 204 N 0.69 3.44 -0.70 5.22 0.08 -0.34 -1.79 117.98 124.58 1du5 s PHE 204 Ca -0.11 0.83 -0.05 0.00 0.12 0.00 0.00 56.93 57.72 1du5 s PHE 204 Cb -0.16 -2.61 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1du5 s PHE 204 CO 0.02 0.03 0.66 0.00 -0.10 0.00 0.00 175.22 175.83