#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue7 n ASP 4 N 0.00 4.77 0.00 1.61 9.92 -1.26 -5.08 116.55 126.51 1ue7 n ASP 4 Ca 0.00 -3.71 0.00 0.00 -0.53 0.00 0.00 54.79 50.55 1ue7 n ASP 4 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 1ue7 n ASP 4 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ue7 n THR 5 N -0.60 0.00 -4.22 -3.53 5.66 -1.26 -4.83 114.28 105.50 1ue7 n THR 5 Ca 0.41 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 61.14 1ue7 n THR 5 Cb 0.83 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.52 1ue7 n THR 5 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ue7 s THR 6 N 0.00 3.59 0.12 1.09 -4.23 -1.26 -3.42 115.64 111.52 1ue7 s THR 6 Ca 0.00 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1ue7 s THR 6 Cb 0.00 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1ue7 s THR 6 CO 0.00 -0.10 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.36 1ue7 s ILE 7 N -1.70 1.08 -0.08 2.99 2.07 -0.28 -4.95 121.20 120.33 1ue7 s ILE 7 Ca 0.27 -1.78 -0.03 0.00 -1.41 0.00 0.00 60.65 57.70 1ue7 s ILE 7 Cb -0.09 -1.54 0.04 0.00 0.13 0.00 0.00 42.46 40.99 1ue7 s ILE 7 CO 0.18 -0.59 0.05 -0.89 -1.91 0.00 0.00 174.94 171.78 1ue7 s THR 8 N -2.67 0.01 -0.12 4.00 2.01 -1.25 0.22 115.64 117.84 1ue7 s THR 8 Ca 0.10 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1ue7 s THR 8 Cb -0.02 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 1ue7 s THR 8 CO 0.01 0.08 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.23 1ue7 s ILE 9 N 2.11 2.85 -0.42 1.82 1.01 0.22 -4.94 121.20 123.86 1ue7 s ILE 9 Ca 0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1ue7 s ILE 9 Cb -0.13 -2.18 0.11 0.00 0.01 0.00 0.00 42.46 40.28 1ue7 s ILE 9 CO -0.05 0.53 0.20 -0.69 0.00 0.00 0.00 174.94 174.94 1ue7 s VAL 10 N 0.31 3.09 0.00 2.92 1.01 -1.26 -0.27 120.40 126.21 1ue7 s VAL 10 Ca -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1ue7 s VAL 10 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1ue7 s VAL 10 CO 0.06 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1ue7 n GLY 11 N 4.32 4.44 3.33 4.51 0.00 -0.94 -4.74 105.19 116.12 1ue7 n GLY 11 Ca 0.01 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1ue7 n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ue7 s ASN 12 N 1.35 3.27 0.07 1.61 0.01 -0.24 -1.22 114.94 119.78 1ue7 s ASN 12 Ca 0.00 -0.42 -0.31 0.00 -0.71 0.00 0.00 52.86 51.42 1ue7 s ASN 12 Cb 0.00 -0.58 -0.07 0.00 0.41 0.00 0.00 41.25 41.01 1ue7 s ASN 12 CO 0.00 0.30 1.34 -0.76 -1.51 0.00 0.00 177.10 176.48 1ue7 s LEU 13 N -0.51 4.35 0.13 0.60 1.43 -1.08 -0.53 118.68 123.09 1ue7 s LEU 13 Ca 0.07 2.19 -0.06 0.00 -1.03 0.00 0.00 54.13 55.29 1ue7 s LEU 13 Cb -0.11 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 1ue7 s LEU 13 CO 0.01 -0.62 1.32 0.71 0.23 0.00 0.00 176.35 177.99 1ue7 h THR 14 N 4.50 1.36 -2.70 5.49 1.35 -1.76 2.35 112.91 123.50 1ue7 h THR 14 Ca -0.41 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1ue7 h THR 14 Cb 1.20 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1ue7 h THR 14 CO 0.86 0.69 0.00 0.00 -0.25 0.00 0.00 175.52 176.82 1ue7 n ALA 15 N -2.56 0.00 -2.78 6.62 0.00 -1.26 -4.51 120.51 116.02 1ue7 n ALA 15 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1ue7 n ALA 15 Cb 0.80 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1ue7 n ALA 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ue7 s ASP 16 N 0.03 5.91 -0.28 0.00 -0.00 -1.26 -2.77 116.67 118.29 1ue7 s ASP 16 Ca 0.00 0.16 -0.43 0.00 -0.00 0.00 0.00 52.55 52.28 1ue7 s ASP 16 Cb 0.00 -2.02 -0.19 0.00 -0.00 0.00 0.00 42.92 40.71 1ue7 s ASP 16 CO 0.00 0.19 1.46 -0.81 -0.00 0.00 0.00 175.17 176.01 1ue7 n PRO 17 N 3.47 0.28 -3.30 8.23 -0.04 -1.26 -4.86 135.00 137.52 1ue7 n PRO 17 Ca -0.16 0.10 -0.45 0.00 -0.04 0.00 0.00 63.50 62.95 1ue7 n PRO 17 Cb 0.52 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1ue7 n PRO 17 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ue7 s GLU 18 N 2.09 3.02 0.34 0.54 2.02 -0.39 -4.75 118.70 121.56 1ue7 s GLU 18 Ca 0.99 -1.30 -0.15 0.00 0.02 0.00 0.00 54.97 54.53 1ue7 s GLU 18 Cb -1.32 -4.16 -0.09 0.00 0.10 0.00 0.00 34.13 28.66 1ue7 s GLU 18 CO 0.70 -1.16 0.75 -1.17 0.02 0.00 0.00 175.26 174.40 1ue7 s LEU 19 N 1.94 4.03 0.16 1.80 0.20 -1.26 -1.74 118.68 123.80 1ue7 s LEU 19 Ca 0.07 1.28 -0.18 0.00 0.69 0.00 0.00 54.13 55.99 1ue7 s LEU 19 Cb -0.24 -4.10 0.04 0.00 -0.43 0.00 0.00 46.19 41.46 1ue7 s LEU 19 CO 0.07 -0.24 0.49 -0.13 -0.29 0.00 0.00 176.35 176.25 1ue7 s ARG 20 N -3.09 1.22 -0.05 1.98 3.00 -0.74 -4.98 118.95 116.28 1ue7 s ARG 20 Ca 0.54 -0.71 0.05 0.00 0.00 0.00 0.00 55.73 55.61 1ue7 s ARG 20 Cb -0.10 0.51 -0.01 0.00 0.00 0.00 0.00 34.95 35.36 1ue7 s ARG 20 CO 0.19 -0.51 -0.21 -0.06 0.00 0.00 0.00 175.30 174.71 1ue7 s PHE 21 N -3.82 2.05 0.34 -0.53 0.40 -1.26 -0.96 117.98 114.21 1ue7 s PHE 21 Ca 0.05 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 55.69 1ue7 s PHE 21 Cb 0.00 -1.36 -0.06 0.00 0.51 0.00 0.00 43.02 42.11 1ue7 s PHE 21 CO -0.09 -0.19 0.65 0.95 0.70 0.00 0.00 175.22 177.24 1ue7 s THR 22 N -0.05 4.91 0.33 0.64 -4.23 0.24 -4.92 115.64 112.57 1ue7 s THR 22 Ca -0.04 0.33 0.21 0.00 -1.18 0.00 0.00 61.69 61.01 1ue7 s THR 22 Cb -0.13 -3.73 0.21 0.00 1.34 0.00 0.00 72.50 70.19 1ue7 s THR 22 CO 0.03 -0.41 1.59 1.55 -0.54 0.00 0.00 174.62 176.84 1ue7 h PRO 23 N 1.51 0.00 0.00 3.99 0.13 -2.01 1.92 132.00 137.54 1ue7 h PRO 23 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ue7 h PRO 23 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ue7 h PRO 23 CO 0.65 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 1ue7 n SER 24 N -2.46 0.00 0.00 1.44 3.41 -1.26 -4.83 113.62 109.92 1ue7 n SER 24 Ca -0.01 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1ue7 n SER 24 Cb 0.36 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1ue7 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ue7 n GLY 25 N 0.68 1.19 3.79 5.00 0.00 0.65 -5.02 105.19 111.47 1ue7 n GLY 25 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ue7 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ue7 s ALA 26 N -3.10 3.49 0.53 4.61 0.00 -1.21 -4.76 121.76 121.32 1ue7 s ALA 26 Ca 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1ue7 s ALA 26 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1ue7 s ALA 26 CO 0.00 0.32 0.81 0.00 0.00 0.00 0.00 175.76 176.88 1ue7 s ALA 27 N -1.08 3.48 -0.30 0.00 0.00 -1.26 0.82 121.76 123.42 1ue7 s ALA 27 Ca 0.34 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.38 1ue7 s ALA 27 Cb -0.22 -2.42 0.13 0.00 0.00 0.00 0.00 23.12 20.61 1ue7 s ALA 27 CO 0.24 -0.61 0.65 0.08 0.00 0.00 0.00 175.76 176.12 1ue7 s VAL 28 N -2.81 -1.00 -0.06 0.00 1.01 -0.13 -2.34 120.40 115.08 1ue7 s VAL 28 Ca 0.51 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1ue7 s VAL 28 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1ue7 s VAL 28 CO 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1ue7 s ALA 29 N 2.90 2.99 0.04 5.51 0.00 0.10 -1.80 121.76 131.50 1ue7 s ALA 29 Ca -0.05 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1ue7 s ALA 29 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1ue7 s ALA 29 CO -0.19 0.58 -0.22 -0.80 0.00 0.00 0.00 175.76 175.13 1ue7 s ASN 30 N -0.91 3.49 -0.29 0.00 -0.87 -0.71 -2.06 114.94 113.59 1ue7 s ASN 30 Ca 0.13 -0.49 -0.24 0.00 -1.57 0.00 0.00 52.86 50.69 1ue7 s ASN 30 Cb -0.11 -0.46 0.13 0.00 -0.02 0.00 0.00 41.25 40.79 1ue7 s ASN 30 CO 0.02 0.27 1.09 0.72 -2.57 0.00 0.00 177.10 176.63 1ue7 s PHE 31 N -0.85 -0.42 -0.18 2.20 -0.71 -1.11 -1.26 117.98 115.65 1ue7 s PHE 31 Ca 0.13 1.01 -0.09 0.00 -1.04 0.00 0.00 56.93 56.94 1ue7 s PHE 31 Cb -0.10 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1ue7 s PHE 31 CO 0.03 -0.20 0.11 -0.08 -1.34 0.00 0.00 175.22 173.74 1ue7 s THR 32 N 0.32 5.21 -0.21 -4.49 -1.32 -1.26 -0.68 115.64 113.20 1ue7 s THR 32 Ca 0.02 0.12 -0.14 0.00 -1.21 0.00 0.00 61.69 60.48 1ue7 s THR 32 Cb -0.05 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 1ue7 s THR 32 CO -0.08 0.47 0.34 -0.69 -2.21 0.00 0.00 174.62 172.44 1ue7 s VAL 33 N 0.16 5.24 -0.29 5.08 1.01 0.26 -1.95 120.40 129.91 1ue7 s VAL 33 Ca 0.08 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1ue7 s VAL 33 Cb -0.12 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ue7 s VAL 33 CO -0.01 0.27 0.06 0.00 0.00 0.00 0.00 175.10 175.43 1ue7 s ALA 34 N 1.25 3.01 0.14 5.51 0.00 0.31 -0.55 121.76 131.44 1ue7 s ALA 34 Ca 0.16 -1.45 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1ue7 s ALA 34 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1ue7 s ALA 34 CO 0.07 -0.91 0.11 0.45 0.00 0.00 0.00 175.76 175.49 1ue7 s SER 35 N 1.47 5.47 -0.12 0.00 0.15 -0.10 -1.08 113.70 119.49 1ue7 s SER 35 Ca 0.02 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 1ue7 s SER 35 Cb -0.17 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 1ue7 s SER 35 CO 0.01 0.09 0.43 0.42 1.20 0.00 0.00 173.24 175.39 1ue7 s THR 36 N -1.66 5.21 -0.91 6.45 -4.23 -1.26 -1.61 115.64 117.62 1ue7 s THR 36 Ca 0.30 0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 61.63 1ue7 s THR 36 Cb -0.11 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.00 1ue7 s THR 36 CO 0.23 0.36 0.06 1.21 -0.54 0.00 0.00 174.62 175.94 1ue7 n GLU 51 N 3.52 -0.94 -3.95 3.99 4.07 -1.26 -4.84 120.64 121.22 1ue7 n GLU 51 Ca -0.09 0.06 -0.29 0.00 -0.06 0.00 0.00 57.16 56.78 1ue7 n GLU 51 Cb 0.52 -2.15 -0.16 0.00 -0.06 0.00 0.00 31.44 29.58 1ue7 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ue7 s ALA 52 N -3.53 1.69 -0.35 4.31 0.00 -1.26 -5.11 121.76 117.51 1ue7 s ALA 52 Ca 0.08 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 1ue7 s ALA 52 Cb -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1ue7 s ALA 52 CO 0.57 -0.63 0.22 -1.17 0.00 0.00 0.00 175.76 174.75 1ue7 s LEU 53 N 1.55 4.58 -0.45 0.00 1.98 -0.63 -5.00 118.68 120.70 1ue7 s LEU 53 Ca 0.02 -0.69 -0.12 0.00 -2.89 0.00 0.00 54.13 50.44 1ue7 s LEU 53 Cb -0.14 -2.08 0.08 0.00 0.66 0.00 0.00 46.19 44.71 1ue7 s LEU 53 CO -0.09 -0.31 0.34 -0.36 -1.89 0.00 0.00 176.35 174.04 1ue7 s PHE 54 N 1.64 3.30 -0.24 5.38 0.40 -1.26 -0.92 117.98 126.27 1ue7 s PHE 54 Ca 0.04 -1.29 -0.06 0.00 -0.60 0.00 0.00 56.93 55.02 1ue7 s PHE 54 Cb -0.18 -3.14 -0.02 0.00 0.51 0.00 0.00 43.02 40.19 1ue7 s PHE 54 CO 0.08 -0.85 0.04 -0.51 0.70 0.00 0.00 175.22 174.69 1ue7 s LEU 55 N 1.52 3.33 0.25 -0.37 1.43 0.29 -4.95 118.68 120.17 1ue7 s LEU 55 Ca 0.04 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.56 1ue7 s LEU 55 Cb -0.24 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 1ue7 s LEU 55 CO 0.04 -0.04 0.96 0.00 0.23 0.00 0.00 176.35 177.54 1ue7 s ARG 56 N 1.58 4.82 0.14 1.70 1.04 -1.26 0.89 118.95 127.86 1ue7 s ARG 56 Ca 0.06 1.52 0.09 0.00 -1.04 0.00 0.00 55.73 56.36 1ue7 s ARG 56 Cb -0.15 -3.25 -0.04 0.00 -2.04 0.00 0.00 34.95 29.47 1ue7 s ARG 56 CO 0.02 0.47 -0.21 0.00 -0.04 0.00 0.00 175.30 175.54 1ue7 s ASN 58 N -2.32 2.04 -0.09 0.00 0.01 0.65 -2.74 114.94 112.50 1ue7 s ASN 58 Ca 0.12 -0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 51.77 1ue7 s ASN 58 Cb -0.08 -0.17 0.04 0.00 0.41 0.00 0.00 41.25 41.45 1ue7 s ASN 58 CO 0.06 0.11 0.20 -0.51 -1.51 0.00 0.00 177.10 175.46 1ue7 s ILE 59 N -0.75 -0.03 0.54 0.60 2.07 -0.88 -1.64 121.20 121.11 1ue7 s ILE 59 Ca 0.05 0.12 0.06 0.00 -1.41 0.00 0.00 60.65 59.47 1ue7 s ILE 59 Cb -0.08 -0.31 0.04 0.00 0.13 0.00 0.00 42.46 42.24 1ue7 s ILE 59 CO 0.01 0.05 0.46 0.26 -1.91 0.00 0.00 174.94 173.81 1ue7 s TRP 60 N 0.96 1.66 0.00 3.50 0.51 -1.26 -0.72 118.94 123.59 1ue7 s TRP 60 Ca -0.07 -0.80 0.00 0.00 -2.12 0.00 0.00 56.10 53.11 1ue7 s TRP 60 Cb -0.09 -1.97 0.00 0.00 -0.81 0.00 0.00 33.47 30.60 1ue7 s TRP 60 CO -0.06 -0.55 0.00 0.54 -0.51 0.00 0.00 176.95 176.37 1ue7 n ARG 61 N -1.82 0.00 -0.31 4.98 5.12 -0.99 -2.95 116.66 120.69 1ue7 n ARG 61 Ca 0.01 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.10 1ue7 n ARG 61 Cb 0.64 0.00 0.36 0.00 -1.16 0.00 0.00 32.46 32.30 1ue7 n ARG 61 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1ue7 h GLU 62 N 0.00 0.23 -0.97 5.56 9.09 -1.97 0.51 114.58 127.03 1ue7 h GLU 62 Ca 0.00 -0.01 0.30 0.00 0.05 0.00 0.00 59.36 59.69 1ue7 h GLU 62 Cb 0.00 -0.05 -0.15 0.00 -1.65 0.00 0.00 28.75 26.90 1ue7 h GLU 62 CO 0.00 0.16 0.49 0.00 0.05 0.00 0.00 179.01 179.70 1ue7 h ALA 63 N 1.82 1.78 0.12 1.06 0.00 -1.94 0.44 119.26 122.53 1ue7 h ALA 63 Ca 0.62 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.75 1ue7 h ALA 63 Cb 1.33 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1ue7 h ALA 63 CO -0.65 -0.53 -0.33 0.00 0.00 0.00 0.00 179.25 177.74 1ue7 h ALA 64 N 1.83 -0.56 0.15 0.00 0.00 -0.77 -0.71 119.26 119.20 1ue7 h ALA 64 Ca 0.69 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.56 1ue7 h ALA 64 Cb 1.51 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 1ue7 h ALA 64 CO -0.61 -0.88 -0.41 0.93 0.00 0.00 0.00 179.25 178.28 1ue7 h GLU 65 N -0.55 -0.65 -1.01 0.00 5.08 -0.27 -1.87 114.58 115.31 1ue7 h GLU 65 Ca 0.03 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.67 1ue7 h GLU 65 Cb 0.59 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 1ue7 h GLU 65 CO -0.20 -0.43 0.62 -0.91 -1.00 0.00 0.00 179.01 177.09 1ue7 h ASN 66 N -0.67 0.63 0.70 1.42 2.35 -1.02 0.52 115.58 119.51 1ue7 h ASN 66 Ca 0.01 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1ue7 h ASN 66 Cb 0.68 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1ue7 h ASN 66 CO -0.22 0.15 -0.33 0.58 -1.65 0.00 0.00 177.43 175.96 1ue7 h VAL 67 N 0.58 0.09 -0.77 2.81 2.07 -0.37 -1.80 116.25 118.86 1ue7 h VAL 67 Ca 0.60 -0.29 0.09 0.00 0.82 0.00 0.00 66.70 67.92 1ue7 h VAL 67 Cb 1.20 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1ue7 h VAL 67 CO -0.38 0.01 0.43 0.00 0.02 0.00 0.00 177.57 177.65 1ue7 h ALA 68 N -1.13 1.08 -0.90 1.67 0.00 -0.68 0.39 119.26 119.70 1ue7 h ALA 68 Ca -0.10 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1ue7 h ALA 68 Cb 0.74 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1ue7 h ALA 68 CO 0.16 0.07 0.58 1.49 0.00 0.00 0.00 179.25 181.55 1ue7 h GLU 69 N 0.74 0.61 0.00 0.00 4.57 0.11 -3.30 114.58 117.31 1ue7 h GLU 69 Ca 0.37 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1ue7 h GLU 69 Cb 0.32 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1ue7 h GLU 69 CO -0.24 0.41 0.00 -1.13 -1.18 0.00 0.00 179.01 176.87 1ue7 n SER 70 N -4.57 0.79 -4.44 1.04 3.41 -0.66 -5.06 113.62 104.13 1ue7 n SER 70 Ca 0.18 -1.24 -0.30 0.00 -0.26 0.00 0.00 58.87 57.25 1ue7 n SER 70 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 1ue7 n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ue7 s LEU 71 N -0.24 2.53 0.21 1.04 1.43 0.13 -5.06 118.68 118.72 1ue7 s LEU 71 Ca 0.00 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1ue7 s LEU 71 Cb 0.00 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ue7 s LEU 71 CO 0.00 0.22 0.20 0.42 0.23 0.00 0.00 176.35 177.42 1ue7 s THR 72 N -1.01 0.00 0.60 5.49 -4.23 -1.26 -4.28 115.64 110.95 1ue7 s THR 72 Ca 0.15 -1.88 -0.15 0.00 -1.18 0.00 0.00 61.69 58.63 1ue7 s THR 72 Cb -0.10 -2.44 -0.13 0.00 1.34 0.00 0.00 72.50 71.17 1ue7 s THR 72 CO 0.07 0.00 -0.34 0.54 -0.54 0.00 0.00 174.62 174.35 1ue7 n ARG 73 N -0.30 0.00 -3.70 3.99 1.74 -1.11 -2.59 116.66 114.69 1ue7 n ARG 73 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1ue7 n ARG 73 Cb 0.65 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 31.17 1ue7 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ue7 n GLY 74 N 2.50 -0.37 3.82 -0.13 0.00 0.79 -4.83 105.19 106.98 1ue7 n GLY 74 Ca 0.04 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1ue7 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ue7 s ALA 75 N -2.67 3.73 -0.02 4.61 0.00 -1.07 -4.73 121.76 121.61 1ue7 s ALA 75 Ca 0.56 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1ue7 s ALA 75 Cb -0.33 -2.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1ue7 s ALA 75 CO 0.69 0.41 1.47 1.03 0.00 0.00 0.00 175.76 179.36 1ue7 s ARG 76 N -0.61 4.25 0.02 0.00 0.52 -1.26 -2.62 118.95 119.24 1ue7 s ARG 76 Ca 0.19 2.03 0.01 0.00 -0.52 0.00 0.00 55.73 57.43 1ue7 s ARG 76 Cb -0.14 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1ue7 s ARG 76 CO 0.07 -0.66 -0.04 0.14 0.02 0.00 0.00 175.30 174.84 1ue7 s VAL 77 N 2.84 0.24 -0.20 3.52 -7.23 -0.36 0.55 120.40 119.76 1ue7 s VAL 77 Ca 0.66 -0.72 -0.05 0.00 -1.81 0.00 0.00 61.98 60.06 1ue7 s VAL 77 Cb -0.32 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 1ue7 s VAL 77 CO 0.27 -0.31 0.00 -0.63 -0.31 0.00 0.00 175.10 174.12 1ue7 s ILE 78 N -1.03 3.97 -0.08 -0.62 1.01 -1.04 -2.20 121.20 121.21 1ue7 s ILE 78 Ca -0.09 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1ue7 s ILE 78 Cb -0.07 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1ue7 s ILE 78 CO -0.00 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.55 1ue7 s VAL 79 N 0.95 1.22 -0.07 2.92 1.01 0.63 -2.81 120.40 124.26 1ue7 s VAL 79 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1ue7 s VAL 79 Cb -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ue7 s VAL 79 CO 0.02 0.38 -0.16 -0.55 0.00 0.00 0.00 175.10 174.78 1ue7 s SER 80 N 0.89 3.80 0.00 3.32 0.15 -0.81 0.73 113.70 121.79 1ue7 s SER 80 Ca -0.10 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1ue7 s SER 80 Cb -0.15 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1ue7 s SER 80 CO 0.01 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1ue7 n GLY 81 N 2.77 2.07 2.94 9.45 0.00 0.13 -1.10 105.19 121.45 1ue7 n GLY 81 Ca -0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 1ue7 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ue7 s ARG 82 N 1.75 0.50 0.44 1.61 0.52 -1.04 -1.13 118.95 121.60 1ue7 s ARG 82 Ca 0.00 -0.16 -0.23 0.00 -0.52 0.00 0.00 55.73 54.82 1ue7 s ARG 82 Cb 0.00 -0.51 -0.08 0.00 0.52 0.00 0.00 34.95 34.88 1ue7 s ARG 82 CO 0.00 0.07 1.07 -0.51 0.02 0.00 0.00 175.30 175.94 1ue7 s LEU 83 N 0.14 4.02 0.00 2.53 1.43 -1.22 0.13 118.68 125.71 1ue7 s LEU 83 Ca -0.01 2.05 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 1ue7 s LEU 83 Cb -0.05 -4.32 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1ue7 s LEU 83 CO -0.00 -0.67 0.26 0.29 0.23 0.00 0.00 176.35 176.46 1ue7 n LYS 84 N -0.45 0.37 -2.12 1.70 5.02 -0.66 -4.84 118.16 117.19 1ue7 n LYS 84 Ca 0.07 -2.98 -0.04 0.00 -2.02 0.00 0.00 58.31 53.34 1ue7 n LYS 84 Cb 0.50 2.46 0.00 0.00 -0.02 0.00 0.00 35.03 37.97 1ue7 n LYS 84 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ue7 n GLN 85 N -0.57 0.32 0.00 1.97 6.02 -1.26 -3.08 117.38 120.78 1ue7 n GLN 85 Ca 0.07 -0.83 0.00 0.00 -0.01 0.00 0.00 57.00 56.23 1ue7 n GLN 85 Cb 0.54 0.92 0.00 0.00 1.02 0.00 0.00 30.24 32.72 1ue7 n GLN 85 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ue7 n ARG 86 N -0.19 0.00 0.00 -1.09 3.00 -1.26 -5.03 116.66 112.09 1ue7 n ARG 86 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 1ue7 n ARG 86 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.66 1ue7 n ARG 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ue7 n SER 87 N -0.12 0.00 -3.65 0.55 2.88 -1.26 -4.62 113.62 107.40 1ue7 n SER 87 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ue7 n SER 87 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ue7 n SER 87 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ue7 s THR 97 N 0.26 0.00 0.28 2.46 -4.23 -1.26 -5.32 115.64 107.82 1ue7 s THR 97 Ca 0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1ue7 s THR 97 Cb 0.00 -1.72 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1ue7 s THR 97 CO 0.00 0.00 0.14 -0.69 -0.54 0.00 0.00 174.62 173.53 1ue7 s VAL 98 N -2.81 0.36 -0.21 2.29 1.01 -1.26 -5.14 120.40 114.64 1ue7 s VAL 98 Ca 0.12 -2.00 -0.11 0.00 0.00 0.00 0.00 61.98 59.99 1ue7 s VAL 98 Cb 0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1ue7 s VAL 98 CO -0.03 0.00 0.18 -0.63 0.00 0.00 0.00 175.10 174.62 1ue7 s ILE 99 N -3.72 5.37 0.49 2.22 1.01 -1.26 -4.35 121.20 120.97 1ue7 s ILE 99 Ca 0.37 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1ue7 s ILE 99 Cb 0.06 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 1ue7 s ILE 99 CO 0.16 0.39 0.05 -1.61 0.00 0.00 0.00 174.94 173.93 1ue7 s GLU 100 N 0.66 2.17 -0.12 2.79 2.02 -1.18 -4.66 118.70 120.38 1ue7 s GLU 100 Ca 0.10 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 52.79 1ue7 s GLU 100 Cb -0.12 -1.62 -0.02 0.00 0.10 0.00 0.00 34.13 32.47 1ue7 s GLU 100 CO 0.01 -0.33 -0.13 0.08 0.02 0.00 0.00 175.26 174.92 1ue7 s VAL 101 N -2.83 3.08 -1.11 2.63 1.01 0.16 -1.65 120.40 121.70 1ue7 s VAL 101 Ca 0.14 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 1ue7 s VAL 101 Cb 0.03 -2.28 0.29 0.00 0.00 0.00 0.00 36.38 34.41 1ue7 s VAL 101 CO 0.08 0.53 1.48 1.21 0.00 0.00 0.00 175.10 178.40 1ue7 n GLU 102 N 3.36 4.23 -1.55 2.72 4.07 0.35 -0.25 120.64 133.57 1ue7 n GLU 102 Ca -0.18 -4.41 -0.48 0.00 -0.06 0.00 0.00 57.16 52.03 1ue7 n GLU 102 Cb 0.53 -2.58 -0.04 0.00 -0.06 0.00 0.00 31.44 29.29 1ue7 n GLU 102 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ue7 n VAL 103 N 1.81 1.20 -0.06 6.31 0.31 -0.65 -2.49 118.33 124.77 1ue7 n VAL 103 Ca 0.28 -0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1ue7 n VAL 103 Cb 0.34 -0.72 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1ue7 n VAL 103 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ue7 n ASP 104 N 1.82 1.67 -4.32 4.52 10.43 -0.26 -4.74 116.55 125.66 1ue7 n ASP 104 Ca 0.15 0.27 -0.28 0.00 2.57 0.00 0.00 54.79 57.49 1ue7 n ASP 104 Cb 0.25 -0.62 -0.14 0.00 1.84 0.00 0.00 41.12 42.44 1ue7 n ASP 104 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1ue7 s GLU 105 N -2.61 1.63 -0.04 -1.24 0.41 -1.00 -5.04 118.70 110.81 1ue7 s GLU 105 Ca -0.22 -1.07 -0.16 0.00 -0.41 0.00 0.00 54.97 53.11 1ue7 s GLU 105 Cb 0.04 -1.81 0.03 0.00 -1.78 0.00 0.00 34.13 30.61 1ue7 s GLU 105 CO 0.32 0.46 0.35 -1.50 -0.49 0.00 0.00 175.26 174.40 1ue7 s ILE 106 N -0.82 0.04 0.07 -1.63 1.10 -1.26 -1.91 121.20 116.79 1ue7 s ILE 106 Ca 0.10 -0.35 -0.27 0.00 -0.51 0.00 0.00 60.65 59.62 1ue7 s ILE 106 Cb -0.10 -0.63 0.09 0.00 0.15 0.00 0.00 42.46 41.98 1ue7 s ILE 106 CO 0.02 -0.19 1.11 -0.83 -2.11 0.00 0.00 174.94 172.93 1ue7 s GLY 107 N -1.04 -0.31 0.48 1.50 0.00 -1.12 -5.03 107.32 101.78 1ue7 s GLY 107 Ca -0.11 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.79 1ue7 s GLY 107 CO 0.04 0.06 1.11 -4.14 0.00 0.00 0.00 173.10 170.17 1ue7 s PRO 108 N -2.90 3.73 -0.21 2.90 0.02 -1.26 -2.50 135.00 134.78 1ue7 s PRO 108 Ca 0.13 1.61 -0.23 0.00 0.02 0.00 0.00 61.00 62.53 1ue7 s PRO 108 Cb 0.01 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 1ue7 s PRO 108 CO -0.01 -0.54 0.75 0.45 -0.33 0.00 0.00 177.00 177.33 1ue7 s SER 109 N -1.62 6.80 -0.26 2.53 0.15 0.19 -4.65 113.70 116.85 1ue7 s SER 109 Ca 0.66 0.99 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1ue7 s SER 109 Cb -0.24 -2.41 0.26 0.00 -1.71 0.00 0.00 66.02 61.92 1ue7 s SER 109 CO 0.29 -0.39 1.73 0.18 1.20 0.00 0.00 173.24 176.25 1ue7 n LEU 110 N 5.45 5.62 -0.03 3.45 4.77 -1.26 -4.38 117.00 130.61 1ue7 n LEU 110 Ca 0.03 -2.89 -0.01 0.00 -0.03 0.00 0.00 56.01 53.11 1ue7 n LEU 110 Cb 0.49 -0.87 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1ue7 n LEU 110 CO 0.46 1.00 -0.05 -0.09 -1.33 0.00 0.00 177.39 177.38 1ue7 h ARG 111 N 0.98 0.00 -0.81 3.23 2.43 -1.95 -3.39 114.38 114.87 1ue7 h ARG 111 Ca 0.29 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.08 1ue7 h ARG 111 Cb 1.37 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.70 1ue7 h ARG 111 CO 0.63 0.00 0.42 0.66 -1.51 0.00 0.00 179.97 180.17 1ue7 n TYR 112 N -3.59 2.52 -3.58 2.20 4.01 -1.26 -4.98 117.16 112.48 1ue7 n TYR 112 Ca -0.01 -1.65 -0.06 0.00 -0.16 0.00 0.00 57.90 56.02 1ue7 n TYR 112 Cb 0.04 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.25 1ue7 n TYR 112 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ue7 s ALA 113 N -3.22 -1.82 0.32 -0.72 0.00 -1.26 -5.14 121.76 109.92 1ue7 s ALA 113 Ca 0.54 0.81 0.10 0.00 0.00 0.00 0.00 51.96 53.40 1ue7 s ALA 113 Cb 0.45 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 1ue7 s ALA 113 CO 0.09 -0.79 -0.03 0.95 0.00 0.00 0.00 175.76 175.98 1ue7 s THR 114 N -3.07 2.71 -0.29 0.00 -4.23 -1.26 -4.42 115.64 105.08 1ue7 s THR 114 Ca 0.08 -2.04 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 1ue7 s THR 114 Cb -0.01 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1ue7 s THR 114 CO -0.05 -0.26 1.15 0.00 -0.54 0.00 0.00 174.62 174.92 1ue7 s ALA 115 N -2.49 -2.51 0.22 3.99 0.00 -1.26 -5.08 121.76 114.63 1ue7 s ALA 115 Ca 0.33 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.38 1ue7 s ALA 115 Cb -0.02 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1ue7 s ALA 115 CO 0.19 -0.32 0.37 0.15 0.00 0.00 0.00 175.76 176.14 1ue7 s LYS 116 N 1.14 3.46 0.00 0.00 -0.14 -1.26 -5.10 119.74 117.84 1ue7 s LYS 116 Ca -0.08 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 1ue7 s LYS 116 Cb -0.03 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1ue7 s LYS 116 CO -0.12 0.41 0.00 1.33 -0.76 0.00 0.00 175.35 176.21 1ue7 n VAL 117 N -1.06 0.00 -0.24 3.17 0.24 -1.26 -5.19 118.33 113.99 1ue7 n VAL 117 Ca -0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1ue7 n VAL 117 Cb 0.55 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.92 1ue7 n VAL 117 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1ue7 n ASN 118 N 0.00 -1.30 0.00 -1.34 2.85 -1.26 -5.17 115.26 109.05 1ue7 n ASN 118 Ca 0.00 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1ue7 n ASN 118 Cb 0.00 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.79 1ue7 n ASN 118 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1ue7 n LYS 119 N -1.91 0.00 0.00 1.20 -0.00 -1.26 -5.21 118.16 110.98 1ue7 n LYS 119 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1ue7 n LYS 119 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.12 1ue7 n LYS 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ue7 n ALA 120 N -3.00 -0.01 0.00 0.58 0.00 -1.26 -5.14 120.51 111.68 1ue7 n ALA 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ue7 n ALA 120 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1ue7 n ALA 120 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ue7 n SER 121 N -1.00 0.00 -1.56 0.00 3.41 -1.26 -5.18 113.62 108.03 1ue7 n SER 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ue7 n SER 121 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ue7 n SER 121 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1ue7 n ARG 122 N 0.06 3.26 0.00 4.33 3.00 -1.26 -5.27 116.66 120.77 1ue7 n ARG 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ue7 n ARG 122 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1ue7 n ARG 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06