#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1am7 s VAL 2 N 0.00 2.87 0.41 1.12 1.01 -1.26 -4.99 120.40 119.56 1am7 s VAL 2 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1am7 s VAL 2 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 1am7 s VAL 2 CO 0.00 0.09 1.11 -0.70 0.00 0.00 0.00 175.10 175.60 1am7 s GLU 3 N -2.26 4.03 -0.12 2.72 2.12 -1.26 -4.99 118.70 118.95 1am7 s GLU 3 Ca 0.57 1.66 -0.06 0.00 0.36 0.00 0.00 54.97 57.50 1am7 s GLU 3 Cb -0.35 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1am7 s GLU 3 CO 0.44 -0.29 0.11 0.42 -0.54 0.00 0.00 175.26 175.40 1am7 s ILE 4 N -1.56 5.28 0.33 -3.70 1.01 -1.26 -5.01 121.20 116.29 1am7 s ILE 4 Ca 0.59 0.13 0.05 0.00 0.00 0.00 0.00 60.65 61.41 1am7 s ILE 4 Cb -0.26 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1am7 s ILE 4 CO 0.32 0.59 0.21 0.54 0.00 0.00 0.00 174.94 176.60 1am7 s ASN 5 N -0.82 1.76 0.36 3.58 2.20 -1.26 -5.00 114.94 115.76 1am7 s ASN 5 Ca 0.14 -1.67 0.03 0.00 -0.94 0.00 0.00 52.86 50.42 1am7 s ASN 5 Cb -0.12 0.50 0.68 0.00 -2.00 0.00 0.00 41.25 40.31 1am7 s ASN 5 CO 0.03 -0.98 2.01 -1.13 -2.94 0.00 0.00 177.10 174.09 1am7 h ASN 6 N 2.12 0.67 -0.26 3.54 -1.24 -1.98 -0.36 115.58 118.07 1am7 h ASN 6 Ca -0.30 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.61 1am7 h ASN 6 Cb 1.25 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 1am7 h ASN 6 CO 0.45 0.50 -0.15 1.56 -1.29 0.00 0.00 177.43 178.50 1am7 h GLN 7 N 0.79 0.57 -0.60 6.67 1.08 -1.91 -1.56 115.11 120.15 1am7 h GLN 7 Ca 0.21 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 57.05 1am7 h GLN 7 Cb -0.07 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.33 1am7 h GLN 7 CO -0.04 0.83 -0.02 0.00 -0.95 0.00 0.00 178.83 178.64 1am7 h ARG 8 N 0.29 1.07 -0.26 1.46 3.08 -1.82 -1.60 114.38 116.60 1am7 h ARG 8 Ca 0.06 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1am7 h ARG 8 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1am7 h ARG 8 CO 0.04 1.05 0.10 -0.22 -1.07 0.00 0.00 179.97 179.87 1am7 h LYS 9 N 0.97 0.40 -0.59 0.04 3.64 -1.01 -0.92 116.57 119.10 1am7 h LYS 9 Ca 0.17 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1am7 h LYS 9 Cb 0.58 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1am7 h LYS 9 CO 0.03 0.45 0.39 0.00 -2.27 0.00 0.00 179.45 178.05 1am7 h ALA 10 N 0.93 1.66 -0.38 5.00 0.00 -1.09 -0.76 119.26 124.61 1am7 h ALA 10 Ca 0.09 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1am7 h ALA 10 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1am7 h ALA 10 CO -0.01 0.29 -0.20 0.35 0.00 0.00 0.00 179.25 179.69 1am7 h PHE 11 N 0.73 0.93 -0.56 0.00 3.57 -0.69 -1.31 116.94 119.61 1am7 h PHE 11 Ca 0.23 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1am7 h PHE 11 Cb 0.03 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1am7 h PHE 11 CO -0.00 0.99 0.15 -0.07 -2.23 0.00 0.00 178.31 177.15 1am7 h LEU 12 N 0.60 0.80 -0.41 0.59 3.38 -0.44 -0.53 115.31 119.30 1am7 h LEU 12 Ca 0.08 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1am7 h LEU 12 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1am7 h LEU 12 CO 0.06 0.78 -0.09 0.44 0.09 0.00 0.00 178.44 179.72 1am7 h ASP 13 N 0.83 0.80 -0.74 -0.43 3.32 -1.00 -0.07 116.42 119.14 1am7 h ASP 13 Ca 0.18 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1am7 h ASP 13 Cb 0.29 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1am7 h ASP 13 CO -0.00 0.97 0.47 -0.03 -1.72 0.00 0.00 179.24 178.94 1am7 h MET 14 N 0.62 0.99 -0.22 3.56 1.85 -0.97 -2.80 114.93 117.95 1am7 h MET 14 Ca 0.11 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1am7 h MET 14 Cb 0.62 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 1am7 h MET 14 CO 0.04 0.67 0.10 1.25 -0.40 0.00 0.00 176.91 178.57 1am7 h LEU 15 N 1.01 0.29 -1.47 3.39 5.85 -0.85 0.15 115.31 123.68 1am7 h LEU 15 Ca 0.27 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1am7 h LEU 15 Cb -0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1am7 h LEU 15 CO -0.06 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.39 1am7 n ALA 16 N -2.23 1.29 0.00 1.25 0.00 -0.06 -0.47 120.51 120.29 1am7 n ALA 16 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1am7 n ALA 16 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1am7 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1am7 n SER 18 N 0.71 0.00 0.00 0.00 2.88 0.53 -1.76 113.62 115.98 1am7 n SER 18 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1am7 n SER 18 Cb 0.02 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.88 1am7 n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1am7 n GLU 19 N 0.00 0.03 -0.92 -1.46 -0.58 0.39 -4.84 120.64 113.26 1am7 n GLU 19 Ca 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 1am7 n GLU 19 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1am7 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1am7 n GLY 20 N 0.41 0.49 0.10 0.62 0.00 -1.00 -4.93 105.19 100.88 1am7 n GLY 20 Ca 0.05 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1am7 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1am7 n THR 21 N -2.92 1.63 -3.42 2.61 -2.24 -0.72 -4.58 114.28 104.64 1am7 n THR 21 Ca 0.00 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.76 1am7 n THR 21 Cb 0.00 -1.17 -0.09 0.00 -2.10 0.00 0.00 70.33 66.97 1am7 n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1am7 n ASP 22 N -3.14 1.33 -0.05 3.42 2.03 -0.89 -3.52 116.55 115.73 1am7 n ASP 22 Ca -0.23 -2.88 0.02 0.00 0.52 0.00 0.00 54.79 52.22 1am7 n ASP 22 Cb 1.06 -0.64 0.03 0.00 -0.72 0.00 0.00 41.12 40.84 1am7 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1am7 n ASN 23 N 1.73 1.45 0.00 1.67 0.23 -1.26 -4.87 115.26 114.21 1am7 n ASN 23 Ca 0.25 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1am7 n ASN 23 Cb 0.46 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1am7 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1am7 n GLY 24 N -0.52 1.73 0.59 4.83 0.00 -1.26 -4.79 105.19 105.78 1am7 n GLY 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1am7 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1am7 n ARG 25 N -2.00 0.00 -1.89 1.61 1.74 -1.26 -5.01 116.66 109.86 1am7 n ARG 25 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1am7 n ARG 25 Cb 0.00 -0.69 -0.03 0.00 -1.02 0.00 0.00 32.46 30.72 1am7 n ARG 25 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1am7 s GLN 26 N -1.98 4.19 0.37 5.56 2.00 -1.26 -4.94 119.66 123.59 1am7 s GLN 26 Ca 0.00 2.43 -0.27 0.00 -2.00 0.00 0.00 55.36 55.51 1am7 s GLN 26 Cb 0.00 -3.11 -0.10 0.00 0.80 0.00 0.00 33.01 30.60 1am7 s GLN 26 CO 0.00 -0.61 1.32 0.21 -0.50 0.00 0.00 175.29 175.72 1am7 s LYS 27 N 0.64 4.17 -0.12 1.67 2.20 -1.26 -4.80 119.74 122.24 1am7 s LYS 27 Ca 0.68 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 58.21 1am7 s LYS 27 Cb -0.45 -2.93 0.11 0.00 -1.51 0.00 0.00 37.83 33.05 1am7 s LYS 27 CO 0.36 -0.35 0.89 -0.08 -0.36 0.00 0.00 175.35 175.80 1am7 s THR 28 N -1.19 0.00 -1.91 3.43 -1.32 -1.26 -4.92 115.64 108.46 1am7 s THR 28 Ca 0.53 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.16 1am7 s THR 28 Cb -0.40 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.71 1am7 s THR 28 CO 0.52 0.00 0.98 0.54 -2.21 0.00 0.00 174.62 174.46 1am7 n ARG 29 N 0.82 1.14 -2.80 7.08 1.74 -1.26 -4.74 116.66 118.63 1am7 n ARG 29 Ca -0.13 -1.41 -0.10 0.00 -0.77 0.00 0.00 57.85 55.44 1am7 n ARG 29 Cb 0.58 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 30.79 1am7 n ARG 29 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1am7 n ASN 30 N 0.85 -1.65 -3.60 0.55 4.05 -1.26 -5.01 115.26 109.19 1am7 n ASN 30 Ca 0.09 -3.40 -0.27 0.00 0.45 0.00 0.00 54.58 51.45 1am7 n ASN 30 Cb 0.38 1.32 -0.00 0.00 1.23 0.00 0.00 39.78 42.71 1am7 n ASN 30 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1am7 n HIS 31 N 0.21 -1.88 0.00 1.20 8.25 -1.26 -1.48 115.22 120.26 1am7 n HIS 31 Ca 0.08 0.61 0.00 0.00 -0.26 0.00 0.00 57.72 58.15 1am7 n HIS 31 Cb 0.72 -3.19 0.00 0.00 1.12 0.00 0.00 29.99 28.64 1am7 n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1am7 n GLY 32 N -1.32 2.35 0.00 -1.41 0.00 -1.23 -4.54 105.19 99.04 1am7 n GLY 32 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1am7 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1am7 n TYR 33 N -2.00 0.00 -0.42 1.61 4.01 -0.55 -2.06 117.16 117.75 1am7 n TYR 33 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1am7 n TYR 33 Cb 0.00 -0.48 0.12 0.00 -0.31 0.00 0.00 39.34 38.67 1am7 n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1am7 n ASP 34 N -1.48 2.74 -4.72 7.72 5.75 -1.26 -4.23 116.55 121.06 1am7 n ASP 34 Ca 0.02 -2.37 -0.39 0.00 -0.01 0.00 0.00 54.79 52.05 1am7 n ASP 34 Cb 0.10 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 1am7 n ASP 34 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1am7 s VAL 35 N -1.65 5.13 -0.05 2.12 1.01 -0.87 -1.42 120.40 124.66 1am7 s VAL 35 Ca 0.21 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 1am7 s VAL 35 Cb 0.15 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1am7 s VAL 35 CO 0.08 0.29 0.12 -0.63 0.00 0.00 0.00 175.10 174.96 1am7 s ILE 36 N 0.74 5.15 0.11 2.22 1.01 0.33 -0.04 121.20 130.72 1am7 s ILE 36 Ca 0.30 -0.12 -0.35 0.00 0.00 0.00 0.00 60.65 60.48 1am7 s ILE 36 Cb -0.16 -3.31 -0.17 0.00 0.01 0.00 0.00 42.46 38.83 1am7 s ILE 36 CO 0.13 0.46 1.24 0.55 0.00 0.00 0.00 174.94 177.32 1am7 n VAL 37 N 1.47 0.34 0.00 2.92 3.14 -0.00 -0.68 118.33 125.52 1am7 n VAL 37 Ca -0.15 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1am7 n VAL 37 Cb 0.53 -0.74 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 1am7 n VAL 37 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1am7 n GLY 38 N 2.25 2.48 0.00 7.55 0.00 -1.26 -4.55 105.19 111.65 1am7 n GLY 38 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1am7 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1am7 n GLY 39 N -0.48 0.91 3.84 -0.02 0.00 0.14 -5.11 105.19 104.47 1am7 n GLY 39 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1am7 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1am7 s GLU 40 N -0.31 3.64 0.15 1.61 2.12 -1.21 -4.82 118.70 119.88 1am7 s GLU 40 Ca 0.00 0.95 0.09 0.00 0.36 0.00 0.00 54.97 56.36 1am7 s GLU 40 Cb 0.00 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1am7 s GLU 40 CO 0.00 -0.53 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.57 1am7 s LEU 41 N -4.58 2.92 0.33 2.70 1.43 -1.26 -0.51 118.68 119.71 1am7 s LEU 41 Ca 0.59 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.24 1am7 s LEU 41 Cb -0.12 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 1am7 s LEU 41 CO 0.40 0.13 -0.11 0.72 0.23 0.00 0.00 176.35 177.73 1am7 s PHE 42 N -1.50 2.37 0.00 0.29 -0.12 -0.51 -4.94 117.98 113.56 1am7 s PHE 42 Ca 0.23 -0.48 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 1am7 s PHE 42 Cb -0.10 -1.31 0.00 0.00 -0.63 0.00 0.00 43.02 40.99 1am7 s PHE 42 CO 0.14 0.59 0.00 0.25 -0.05 0.00 0.00 175.22 176.15 1am7 n THR 43 N -0.76 0.00 -3.23 -4.49 -2.24 -1.26 -4.83 114.28 97.48 1am7 n THR 43 Ca -0.05 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1am7 n THR 43 Cb 0.63 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 69.38 1am7 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1am7 s ASP 44 N -1.10 6.39 0.00 3.42 2.15 -1.26 -4.94 116.67 121.33 1am7 s ASP 44 Ca 0.00 0.31 0.20 0.00 0.43 0.00 0.00 52.55 53.50 1am7 s ASP 44 Cb 0.00 -2.28 0.57 0.00 -0.30 0.00 0.00 42.92 40.91 1am7 s ASP 44 CO 0.00 -0.38 1.47 -1.22 -0.17 0.00 0.00 175.17 174.88 1am7 n TYR 45 N 5.65 0.83 0.31 -5.34 4.01 -1.26 -4.38 117.16 116.97 1am7 n TYR 45 Ca -0.04 -0.41 0.15 0.00 -0.16 0.00 0.00 57.90 57.43 1am7 n TYR 45 Cb 0.49 0.00 0.50 0.00 -0.31 0.00 0.00 39.34 40.02 1am7 n TYR 45 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1am7 h SER 46 N 3.83 0.00 -5.00 7.72 4.64 -1.92 0.29 113.55 123.11 1am7 h SER 46 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1am7 h SER 46 Cb 0.87 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.87 1am7 h SER 46 CO 0.00 0.00 0.24 -0.62 -0.87 0.00 0.00 176.83 175.58 1am7 s ASP 47 N -5.55 -0.43 0.33 4.97 2.15 -1.26 -3.76 116.67 113.12 1am7 s ASP 47 Ca 0.04 -0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.49 1am7 s ASP 47 Cb 0.08 0.64 -0.11 0.00 -0.30 0.00 0.00 42.92 43.22 1am7 s ASP 47 CO 0.56 -1.10 1.54 1.57 -0.17 0.00 0.00 175.17 177.58 1am7 n HIS 48 N -0.41 2.92 0.30 -5.34 -0.00 -1.26 -4.73 115.22 106.70 1am7 n HIS 48 Ca -0.11 0.35 0.16 0.00 -0.00 0.00 0.00 57.72 58.11 1am7 n HIS 48 Cb 0.62 -2.57 0.93 0.00 -0.00 0.00 0.00 29.99 28.98 1am7 n HIS 48 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1am7 h PRO 49 N 3.89 0.00 -5.42 1.57 0.13 -1.94 -3.46 132.00 126.77 1am7 h PRO 49 Ca -0.49 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 1am7 h PRO 49 Cb 1.23 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.42 1am7 h PRO 49 CO 0.72 0.02 -0.66 0.54 -0.23 0.00 0.00 178.00 178.39 1am7 n ARG 50 N -3.70 -5.99 -3.54 0.86 1.74 -1.26 -4.98 116.66 99.79 1am7 n ARG 50 Ca -0.03 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.47 1am7 n ARG 50 Cb 0.10 -5.70 -0.07 0.00 -1.02 0.00 0.00 32.46 25.77 1am7 n ARG 50 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1am7 s LYS 51 N -6.13 4.22 -0.40 5.56 1.02 -1.26 -5.04 119.74 117.71 1am7 s LYS 51 Ca 0.49 0.10 -0.19 0.00 0.02 0.00 0.00 55.97 56.39 1am7 s LYS 51 Cb -0.23 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1am7 s LYS 51 CO 0.60 0.27 0.56 -1.17 -0.92 0.00 0.00 175.35 174.69 1am7 s LEU 52 N 0.37 4.49 -0.16 3.17 2.96 -1.26 -4.33 118.68 123.91 1am7 s LEU 52 Ca 0.17 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 1am7 s LEU 52 Cb -0.13 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1am7 s LEU 52 CO 0.04 -0.63 0.09 -0.69 -1.32 0.00 0.00 176.35 173.84 1am7 s VAL 53 N 2.55 5.04 -0.35 1.68 1.01 -0.74 -4.95 120.40 124.64 1am7 s VAL 53 Ca 0.20 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1am7 s VAL 53 Cb -0.15 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1am7 s VAL 53 CO 0.16 0.50 0.44 -0.89 0.00 0.00 0.00 175.10 175.31 1am7 s THR 54 N -0.04 5.09 -0.05 3.92 2.01 -1.26 -2.15 115.64 123.15 1am7 s THR 54 Ca 0.08 0.20 0.13 0.00 0.31 0.00 0.00 61.69 62.41 1am7 s THR 54 Cb -0.12 -3.90 -0.16 0.00 0.01 0.00 0.00 72.50 68.34 1am7 s THR 54 CO 0.01 -0.16 0.94 -0.07 -0.69 0.00 0.00 174.62 174.64 1am7 h LEU 55 N 8.93 0.00 -7.33 4.42 3.38 -1.12 -3.49 115.31 120.10 1am7 h LEU 55 Ca -0.29 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.94 1am7 h LEU 55 Cb 1.13 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 1am7 h LEU 55 CO 0.74 0.80 0.69 0.54 0.09 0.00 0.00 178.44 181.30 1am7 s ASN 56 N -6.16 -0.13 0.45 -0.43 2.20 -1.17 -4.98 114.94 104.72 1am7 s ASN 56 Ca -0.02 -0.20 0.21 0.00 -0.94 0.00 0.00 52.86 51.91 1am7 s ASN 56 Cb 0.09 0.29 1.18 0.00 -2.00 0.00 0.00 41.25 40.80 1am7 s ASN 56 CO 0.81 -0.52 1.86 -0.65 -2.94 0.00 0.00 177.10 175.66 1am7 h PRO 57 N 2.00 0.30 0.00 3.55 0.11 -2.02 -1.73 132.00 134.20 1am7 h PRO 57 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1am7 h PRO 57 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1am7 h PRO 57 CO 0.27 0.20 -0.78 1.63 -0.21 0.00 0.00 178.00 179.11 1am7 n LYS 58 N -4.46 0.22 -3.98 1.05 5.02 -1.26 -4.86 118.16 109.89 1am7 n LYS 58 Ca 0.20 0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 56.21 1am7 n LYS 58 Cb 0.78 -1.60 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1am7 n LYS 58 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1am7 s LEU 59 N -3.81 2.86 0.25 -0.35 2.96 -0.65 -5.10 118.68 114.84 1am7 s LEU 59 Ca 0.06 -1.27 0.11 0.00 -0.22 0.00 0.00 54.13 52.82 1am7 s LEU 59 Cb 0.15 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1am7 s LEU 59 CO 0.75 -0.23 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.83 1am7 s LYS 60 N 1.30 1.71 -0.08 1.98 1.02 -1.26 -0.43 119.74 123.98 1am7 s LYS 60 Ca -0.06 -1.65 -0.30 0.00 0.02 0.00 0.00 55.97 53.98 1am7 s LYS 60 Cb -0.19 -1.84 0.11 0.00 -0.52 0.00 0.00 37.83 35.39 1am7 s LYS 60 CO -0.06 0.36 0.91 0.45 -0.92 0.00 0.00 175.35 176.09 1am7 s SER 61 N -3.27 -0.40 -0.06 2.83 0.15 -0.92 -4.97 113.70 107.06 1am7 s SER 61 Ca 0.27 0.27 0.10 0.00 0.70 0.00 0.00 55.95 57.29 1am7 s SER 61 Cb -0.06 0.37 0.21 0.00 -1.71 0.00 0.00 66.02 64.82 1am7 s SER 61 CO 0.14 -0.50 1.14 0.35 1.20 0.00 0.00 173.24 175.58 1am7 n THR 62 N 0.34 1.44 -1.65 6.45 -2.24 -1.26 -1.78 114.28 115.58 1am7 n THR 62 Ca -0.11 -1.50 -0.46 0.00 -2.27 0.00 0.00 64.05 59.71 1am7 n THR 62 Cb 0.59 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1am7 n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1am7 n GLY 63 N -0.62 0.62 3.27 3.38 0.00 -1.26 -4.02 105.19 106.57 1am7 n GLY 63 Ca 0.10 0.53 -0.10 0.00 0.00 0.00 0.00 46.02 46.54 1am7 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1am7 s ALA 64 N 0.01 -0.71 0.00 4.61 0.00 -0.82 -0.82 121.76 124.03 1am7 s ALA 64 Ca 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1am7 s ALA 64 Cb -0.71 0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1am7 s ALA 64 CO 0.49 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1am7 n GLY 65 N 0.06 -0.61 0.28 0.00 0.00 0.94 -1.13 105.19 104.72 1am7 n GLY 65 Ca -0.17 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.22 1am7 n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1am7 h ARG 66 N 0.00 0.00 -0.20 1.61 2.43 -1.64 -1.84 114.38 114.73 1am7 h ARG 66 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1am7 h ARG 66 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1am7 h ARG 66 CO 0.00 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 1am7 n TYR 67 N -4.24 0.58 -3.79 2.20 4.01 -1.26 -4.51 117.16 110.15 1am7 n TYR 67 Ca -0.03 -0.80 -0.32 0.00 -0.16 0.00 0.00 57.90 56.59 1am7 n TYR 67 Cb 0.10 -0.20 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 1am7 n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1am7 n GLN 68 N -0.50 -1.56 -2.61 -0.72 1.13 -0.69 -4.92 117.38 107.51 1am7 n GLN 68 Ca 0.17 0.40 -0.42 0.00 -1.94 0.00 0.00 57.00 55.20 1am7 n GLN 68 Cb 0.70 -4.01 -0.03 0.00 0.11 0.00 0.00 30.24 27.01 1am7 n GLN 68 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1am7 s LEU 69 N -6.71 4.32 0.44 1.08 2.96 -0.29 -4.30 118.68 116.19 1am7 s LEU 69 Ca 0.38 1.71 -0.24 0.00 -0.22 0.00 0.00 54.13 55.76 1am7 s LEU 69 Cb -0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1am7 s LEU 69 CO 0.88 -0.40 1.16 -0.76 -1.32 0.00 0.00 176.35 175.91 1am7 s LEU 70 N 1.48 4.07 0.28 -0.68 1.43 -1.26 -1.95 118.68 122.05 1am7 s LEU 70 Ca 0.53 2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 1am7 s LEU 70 Cb -0.22 -4.18 0.47 0.00 0.03 0.00 0.00 46.19 42.28 1am7 s LEU 70 CO 0.25 -0.83 1.90 0.77 0.23 0.00 0.00 176.35 178.66 1am7 h SER 71 N 2.23 0.98 -0.14 2.29 4.64 -1.96 -3.43 113.55 118.15 1am7 h SER 71 Ca -0.49 0.01 -0.40 0.00 -0.47 0.00 0.00 61.79 60.43 1am7 h SER 71 Cb 1.24 -0.20 0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1am7 h SER 71 CO 0.61 0.63 1.21 -2.11 -0.87 0.00 0.00 176.83 176.30 1am7 n ARG 72 N -4.49 0.80 0.00 4.77 1.85 -1.26 -4.67 116.66 113.67 1am7 n ARG 72 Ca 0.14 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.24 1am7 n ARG 72 Cb 0.18 -3.26 0.00 0.00 -1.05 0.00 0.00 32.46 28.33 1am7 n ARG 72 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1am7 n ASP 75 N 12.59 0.00 0.28 2.89 8.00 -1.26 -4.77 116.55 134.29 1am7 n ASP 75 Ca 0.46 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.79 1am7 n ASP 75 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 1am7 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1am7 h ALA 76 N 0.00 -0.77 -0.24 2.24 0.00 -1.96 -2.89 119.26 115.63 1am7 h ALA 76 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1am7 h ALA 76 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1am7 h ALA 76 CO 0.00 -0.95 -0.28 1.88 0.00 0.00 0.00 179.25 179.90 1am7 h TYR 77 N -0.77 0.54 -0.10 0.00 0.05 -1.96 -1.63 116.97 113.09 1am7 h TYR 77 Ca -0.05 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.64 1am7 h TYR 77 Cb 0.63 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.20 1am7 h TYR 77 CO -0.11 0.71 -0.15 -0.09 -1.05 0.00 0.00 178.16 177.47 1am7 h ARG 78 N 0.42 -0.19 0.32 4.88 2.43 -1.91 0.10 114.38 120.43 1am7 h ARG 78 Ca 0.06 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1am7 h ARG 78 Cb 0.70 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1am7 h ARG 78 CO 0.05 -0.13 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.01 1am7 h LYS 79 N -0.20 -0.41 -0.97 0.20 3.64 -1.37 0.27 116.57 117.73 1am7 h LYS 79 Ca 0.09 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1am7 h LYS 79 Cb 0.32 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 1am7 h LYS 79 CO -0.22 -0.24 0.63 0.37 -2.27 0.00 0.00 179.45 177.71 1am7 h GLN 80 N -0.48 1.18 -0.01 1.90 4.15 -1.12 -3.01 115.11 117.71 1am7 h GLN 80 Ca -0.04 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1am7 h GLN 80 Cb 0.36 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1am7 h GLN 80 CO 0.07 0.78 -0.40 1.28 -1.93 0.00 0.00 178.83 178.63 1am7 n LEU 81 N -4.48 1.66 -2.42 -2.39 4.77 0.35 -4.98 117.00 109.51 1am7 n LEU 81 Ca 0.13 -0.58 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1am7 n LEU 81 Cb 0.10 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1am7 n LEU 81 CO 0.34 0.31 0.15 0.61 -1.33 0.00 0.00 177.39 177.47 1am7 n GLY 82 N 1.39 0.02 3.76 -0.72 0.00 -0.01 -4.89 105.19 104.74 1am7 n GLY 82 Ca 0.10 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1am7 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1am7 s LEU 83 N -4.87 4.54 0.00 0.99 1.43 -0.65 -4.98 118.68 115.14 1am7 s LEU 83 Ca 0.33 1.61 0.23 0.00 -1.03 0.00 0.00 54.13 55.27 1am7 s LEU 83 Cb -0.14 -3.33 0.08 0.00 0.03 0.00 0.00 46.19 42.83 1am7 s LEU 83 CO 0.45 0.10 1.17 0.29 0.23 0.00 0.00 176.35 178.59 1am7 n LYS 84 N 2.16 1.74 -3.83 1.70 5.02 -1.26 -4.84 118.16 118.86 1am7 n LYS 84 Ca -0.03 -1.44 -0.07 0.00 -2.02 0.00 0.00 58.31 54.75 1am7 n LYS 84 Cb 0.49 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.05 1am7 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1am7 s ASP 85 N -2.25 -0.05 -0.48 4.39 1.47 -1.26 -4.93 116.67 113.56 1am7 s ASP 85 Ca 0.23 -0.93 0.03 0.00 1.18 0.00 0.00 52.55 53.06 1am7 s ASP 85 Cb 0.19 0.74 0.48 0.00 -0.34 0.00 0.00 42.92 43.99 1am7 s ASP 85 CO 0.44 -1.46 1.68 0.33 0.68 0.00 0.00 175.17 176.85 1am7 n PHE 86 N -0.55 2.77 -1.35 2.11 7.35 1.00 -4.75 117.46 124.05 1am7 n PHE 86 Ca -0.07 -2.48 -0.30 0.00 -0.76 0.00 0.00 57.45 53.84 1am7 n PHE 86 Cb 0.60 -0.93 0.11 0.00 0.35 0.00 0.00 39.48 39.60 1am7 n PHE 86 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1am7 s SER 87 N -2.45 4.18 0.28 -2.13 1.04 -1.17 -4.70 113.70 108.76 1am7 s SER 87 Ca 0.57 1.53 0.02 0.00 0.48 0.00 0.00 55.95 58.56 1am7 s SER 87 Cb 0.46 -2.25 0.67 0.00 0.10 0.00 0.00 66.02 65.00 1am7 s SER 87 CO 0.02 -2.20 1.71 -0.65 0.98 0.00 0.00 173.24 173.10 1am7 h PRO 88 N -1.24 0.42 -0.69 4.02 0.11 -1.93 0.13 132.00 132.82 1am7 h PRO 88 Ca -0.47 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1am7 h PRO 88 Cb 1.26 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1am7 h PRO 88 CO 0.55 0.28 0.44 -0.22 -0.21 0.00 0.00 178.00 178.84 1am7 h LYS 89 N 0.43 0.86 -0.66 1.05 3.64 -1.98 -0.97 116.57 118.94 1am7 h LYS 89 Ca 0.53 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 1am7 h LYS 89 Cb 0.96 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1am7 h LYS 89 CO -0.50 0.57 0.10 0.77 -2.27 0.00 0.00 179.45 178.13 1am7 h SER 90 N 0.89 1.05 -0.54 4.20 0.02 -1.13 -1.21 113.55 116.82 1am7 h SER 90 Ca 0.26 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1am7 h SER 90 Cb -0.05 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1am7 h SER 90 CO -0.08 1.04 0.23 1.56 -1.14 0.00 0.00 176.83 178.44 1am7 h GLN 91 N 1.02 0.79 -0.60 3.45 4.20 -0.50 -1.74 115.11 121.73 1am7 h GLN 91 Ca 0.20 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1am7 h GLN 91 Cb 0.44 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1am7 h GLN 91 CO 0.01 0.67 0.34 -0.44 -0.67 0.00 0.00 178.83 178.74 1am7 h ASP 92 N 0.72 0.75 -0.29 1.46 3.32 -1.04 -2.24 116.42 119.11 1am7 h ASP 92 Ca 0.18 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.18 1am7 h ASP 92 Cb 0.16 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1am7 h ASP 92 CO -0.02 0.62 0.07 0.00 -1.72 0.00 0.00 179.24 178.18 1am7 h ALA 93 N 1.16 0.31 -0.46 3.45 0.00 -0.78 -0.41 119.26 122.53 1am7 h ALA 93 Ca 0.21 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1am7 h ALA 93 Cb 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1am7 h ALA 93 CO -0.04 -0.34 0.13 0.28 0.00 0.00 0.00 179.25 179.28 1am7 h VAL 94 N 0.18 1.23 -0.18 0.00 2.07 -1.20 -0.30 116.25 118.04 1am7 h VAL 94 Ca 0.13 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.90 1am7 h VAL 94 Cb 0.13 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1am7 h VAL 94 CO -0.17 0.27 0.08 0.00 0.02 0.00 0.00 177.57 177.78 1am7 h ALA 95 N 0.99 0.21 -0.54 1.67 0.00 -1.10 -0.79 119.26 119.69 1am7 h ALA 95 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1am7 h ALA 95 Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1am7 h ALA 95 CO -0.00 -0.35 0.17 -0.07 0.00 0.00 0.00 179.25 179.00 1am7 h LEU 96 N 0.18 0.75 -0.58 0.00 3.38 -0.96 -1.26 115.31 116.82 1am7 h LEU 96 Ca 0.07 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1am7 h LEU 96 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1am7 h LEU 96 CO -0.06 0.71 0.24 -0.61 0.09 0.00 0.00 178.44 178.81 1am7 h GLN 97 N 0.79 0.85 -0.58 1.13 5.75 -0.52 0.11 115.11 122.64 1am7 h GLN 97 Ca 0.18 -0.15 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 1am7 h GLN 97 Cb 0.23 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1am7 h GLN 97 CO -0.01 0.72 0.02 1.96 -2.65 0.00 0.00 178.83 178.87 1am7 h GLN 98 N 0.79 0.99 -0.64 1.69 4.20 -0.66 -1.53 115.11 119.95 1am7 h GLN 98 Ca 0.19 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1am7 h GLN 98 Cb 0.18 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1am7 h GLN 98 CO -0.02 0.96 0.09 0.82 -0.67 0.00 0.00 178.83 180.01 1am7 h ILE 99 N 0.91 1.26 -0.37 2.54 2.04 -0.83 -2.75 117.51 120.32 1am7 h ILE 99 Ca 0.17 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 1am7 h ILE 99 Cb 0.51 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1am7 h ILE 99 CO 0.02 0.39 0.18 0.50 0.00 0.00 0.00 178.15 179.24 1am7 h LYS 100 N 0.99 0.52 0.00 2.37 3.64 -0.46 -2.52 116.57 121.11 1am7 h LYS 100 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1am7 h LYS 100 Cb 0.45 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1am7 h LYS 100 CO 0.01 0.46 0.00 0.93 -2.27 0.00 0.00 179.45 178.58 1am7 h GLU 101 N 0.46 0.00 -0.25 1.90 5.08 -1.06 -0.26 114.58 120.46 1am7 h GLU 101 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1am7 h GLU 101 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1am7 h GLU 101 CO -0.02 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.53 1am7 n ARG 102 N -2.55 2.23 -1.58 2.33 5.12 -1.00 -4.94 116.66 116.26 1am7 n ARG 102 Ca -0.00 -1.84 -0.13 0.00 -1.93 0.00 0.00 57.85 53.95 1am7 n ARG 102 Cb 0.16 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 1am7 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1am7 n GLY 103 N 1.36 1.06 0.00 -0.13 0.00 -0.11 -4.92 105.19 102.46 1am7 n GLY 103 Ca 0.18 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1am7 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1am7 n ALA 104 N 0.60 3.60 -0.07 4.61 0.00 -0.99 -4.35 120.51 123.91 1am7 n ALA 104 Ca -0.14 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 52.86 1am7 n ALA 104 Cb 0.48 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 1am7 n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1am7 h LEU 105 N 0.00 0.02 -1.18 0.00 3.38 -1.86 -0.10 115.31 115.57 1am7 h LEU 105 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1am7 h LEU 105 Cb 0.51 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1am7 h LEU 105 CO 0.00 0.05 0.52 -0.65 0.09 0.00 0.00 178.44 178.45 1am7 h PRO 106 N 0.17 1.08 -0.52 1.13 0.11 -1.96 0.62 132.00 132.62 1am7 h PRO 106 Ca 0.13 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 1am7 h PRO 106 Cb 0.13 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1am7 h PRO 106 CO -0.16 0.73 0.26 0.52 -0.21 0.00 0.00 178.00 179.13 1am7 h MET 107 N 1.11 0.75 -0.04 1.05 2.86 -1.62 -0.46 114.93 118.57 1am7 h MET 107 Ca 0.30 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1am7 h MET 107 Cb -0.11 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 1am7 h MET 107 CO -0.06 0.62 0.00 0.82 1.06 0.00 0.00 176.91 179.34 1am7 h ILE 108 N 0.70 1.25 -0.82 -1.22 2.04 -0.50 0.16 117.51 119.12 1am7 h ILE 108 Ca 0.18 -0.76 0.07 0.00 1.00 0.00 0.00 64.86 65.35 1am7 h ILE 108 Cb 0.11 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1am7 h ILE 108 CO -0.02 0.21 0.49 0.44 0.00 0.00 0.00 178.15 179.26 1am7 h ASP 109 N -0.22 0.74 0.79 1.72 3.32 -0.72 -2.07 116.42 119.99 1am7 h ASP 109 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1am7 h ASP 109 Cb 0.33 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1am7 h ASP 109 CO 0.00 0.46 -0.08 -2.11 -1.72 0.00 0.00 179.24 175.79 1am7 n ARG 110 N -4.69 0.15 -0.25 3.56 1.85 -0.20 -4.94 116.66 112.15 1am7 n ARG 110 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1am7 n ARG 110 Cb 0.21 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1am7 n ARG 110 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1am7 n GLY 111 N 1.44 0.86 2.81 2.89 0.00 -0.78 -4.53 105.19 107.88 1am7 n GLY 111 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1am7 n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1am7 n ASP 112 N 0.00 5.26 -0.17 1.61 8.00 0.51 -1.58 116.55 130.18 1am7 n ASP 112 Ca 0.00 -3.08 -0.06 0.00 0.71 0.00 0.00 54.79 52.36 1am7 n ASP 112 Cb 0.00 -1.48 0.11 0.00 -0.02 0.00 0.00 41.12 39.73 1am7 n ASP 112 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1am7 h ILE 113 N 3.65 1.25 -0.81 0.53 1.08 -1.91 -2.38 117.51 118.92 1am7 h ILE 113 Ca 0.44 -0.99 0.06 0.00 -0.39 0.00 0.00 64.86 63.99 1am7 h ILE 113 Cb 0.60 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 35.00 1am7 h ILE 113 CO 1.64 0.36 0.49 -0.09 -0.69 0.00 0.00 178.15 179.87 1am7 h ARG 114 N 0.90 0.86 -0.20 2.37 2.43 -1.96 0.74 114.38 119.53 1am7 h ARG 114 Ca 0.18 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1am7 h ARG 114 Cb 0.42 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1am7 h ARG 114 CO 0.01 0.57 -0.08 1.96 -1.51 0.00 0.00 179.97 180.93 1am7 h GLN 115 N 0.89 0.40 -0.81 0.20 7.50 -1.92 -2.31 115.11 119.05 1am7 h GLN 115 Ca 0.36 -0.16 0.05 0.00 0.50 0.00 0.00 58.65 59.39 1am7 h GLN 115 Cb 0.19 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.65 1am7 h GLN 115 CO -0.18 0.67 0.51 0.00 -1.50 0.00 0.00 178.83 178.33 1am7 h ALA 116 N 0.71 1.09 -0.30 3.87 0.00 -0.89 -0.49 119.26 123.25 1am7 h ALA 116 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1am7 h ALA 116 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1am7 h ALA 116 CO 0.02 0.28 0.17 0.82 0.00 0.00 0.00 179.25 180.54 1am7 h ILE 117 N 0.96 1.12 -0.48 0.00 2.04 -0.74 -0.67 117.51 119.74 1am7 h ILE 117 Ca 0.34 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1am7 h ILE 117 Cb 0.10 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1am7 h ILE 117 CO -0.15 0.12 0.28 -0.78 0.00 0.00 0.00 178.15 177.63 1am7 h ASP 118 N 0.37 0.58 -0.22 1.72 3.58 -0.99 -0.97 116.42 120.50 1am7 h ASP 118 Ca 0.11 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1am7 h ASP 118 Cb 0.04 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1am7 h ASP 118 CO -0.02 0.48 0.04 0.03 -2.88 0.00 0.00 179.24 176.89 1am7 h ARG 119 N 0.64 0.45 -0.01 0.28 2.47 -0.75 -2.82 114.38 114.64 1am7 h ARG 119 Ca 0.17 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1am7 h ARG 119 Cb 0.01 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1am7 h ARG 119 CO -0.03 0.45 -0.17 0.00 0.56 0.00 0.00 179.97 180.77 1am7 h SER 121 N 1.48 0.00 0.97 0.00 4.64 -0.92 -0.88 113.55 118.85 1am7 h SER 121 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1am7 h SER 121 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1am7 h SER 121 CO 0.00 0.02 0.00 -0.46 -0.87 0.00 0.00 176.83 175.52 1am7 n ASN 122 N -3.54 0.20 -1.48 4.97 0.23 -1.26 -4.52 115.26 109.87 1am7 n ASN 122 Ca -0.03 0.53 0.09 0.00 -0.53 0.00 0.00 54.58 54.64 1am7 n ASN 122 Cb 0.11 -0.58 0.33 0.00 -2.08 0.00 0.00 39.78 37.57 1am7 n ASN 122 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1am7 n ILE 123 N -1.70 1.57 0.00 1.53 5.41 -0.34 -5.19 119.36 120.64 1am7 n ILE 123 Ca 0.06 -1.07 0.00 0.00 1.00 0.00 0.00 62.75 62.74 1am7 n ILE 123 Cb 0.32 0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 1am7 n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1am7 n ALA 125 N 1.16 1.30 0.62 -1.39 0.00 -1.26 -5.10 120.51 115.83 1am7 n ALA 125 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.81 1am7 n ALA 125 Cb 0.80 0.06 0.37 0.00 0.00 0.00 0.00 19.45 20.68 1am7 n ALA 125 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1am7 n SER 126 N -1.05 0.80 -4.78 0.00 3.41 -1.26 -4.84 113.62 105.91 1am7 n SER 126 Ca 0.00 0.50 -0.39 0.00 -0.26 0.00 0.00 58.87 58.72 1am7 n SER 126 Cb 0.12 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1am7 n SER 126 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1am7 s LEU 127 N -4.49 4.57 0.22 1.04 1.43 -1.26 -4.99 118.68 115.20 1am7 s LEU 127 Ca 0.10 1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 1am7 s LEU 127 Cb 0.12 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.91 1am7 s LEU 127 CO 0.62 0.19 0.65 -2.16 0.23 0.00 0.00 176.35 175.87 1am7 s PRO 128 N -1.24 4.04 0.32 1.29 0.04 -1.26 -4.74 135.00 133.45 1am7 s PRO 128 Ca 0.37 0.62 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 1am7 s PRO 128 Cb -0.23 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 1am7 s PRO 128 CO 0.26 0.36 0.64 0.20 0.04 0.00 0.00 177.00 178.49 1am7 s GLY 129 N -1.92 2.03 0.48 0.56 0.00 -1.26 -4.27 107.32 102.94 1am7 s GLY 129 Ca 0.45 -0.32 0.19 0.00 0.00 0.00 0.00 44.72 45.04 1am7 s GLY 129 CO 0.20 -0.17 2.04 0.00 0.00 0.00 0.00 173.10 175.17 1am7 h ALA 130 N 1.80 1.58 -0.03 3.20 0.00 -1.95 -2.12 119.26 121.74 1am7 h ALA 130 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1am7 h ALA 130 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1am7 h ALA 130 CO 0.66 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.50 1am7 n GLY 131 N -0.97 -0.50 3.76 0.00 0.00 -1.26 -4.83 105.19 101.39 1am7 n GLY 131 Ca -0.02 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1am7 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1am7 s TYR 132 N -1.97 3.71 0.31 1.61 1.51 -0.80 -4.97 117.35 116.75 1am7 s TYR 132 Ca 0.39 1.79 0.02 0.00 -1.01 0.00 0.00 57.07 58.26 1am7 s TYR 132 Cb 0.19 -3.10 0.76 0.00 -0.11 0.00 0.00 41.96 39.70 1am7 s TYR 132 CO 0.32 -0.08 1.57 0.78 -1.11 0.00 0.00 175.55 177.02 1am7 h GLY 133 N 3.68 1.26 -3.59 0.71 0.00 -1.90 -2.52 103.07 100.72 1am7 h GLY 133 Ca -0.46 0.15 -0.53 0.00 0.00 0.00 0.00 47.33 46.49 1am7 h GLY 133 CO 0.66 -0.52 -0.62 -1.06 0.00 0.00 0.00 176.54 175.01 1am7 n GLN 134 N -5.49 3.38 0.04 4.80 1.13 -1.26 -4.88 117.38 115.09 1am7 n GLN 134 Ca 0.23 -4.01 -0.15 0.00 -1.94 0.00 0.00 57.00 51.13 1am7 n GLN 134 Cb 0.77 -2.24 -0.10 0.00 0.11 0.00 0.00 30.24 28.79 1am7 n GLN 134 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1am7 h PHE 135 N 2.07 -1.55 -0.87 1.08 3.57 -1.71 -2.66 116.94 116.88 1am7 h PHE 135 Ca 0.37 0.05 0.15 0.00 3.53 0.00 0.00 57.97 62.07 1am7 h PHE 135 Cb 1.44 0.68 -0.09 0.00 2.79 0.00 0.00 35.95 40.77 1am7 h PHE 135 CO 0.91 -0.55 0.46 0.93 -2.23 0.00 0.00 178.31 177.83 1am7 h GLU 136 N -0.63 0.64 -0.33 1.11 4.39 -1.90 -0.08 114.58 117.78 1am7 h GLU 136 Ca 0.02 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1am7 h GLU 136 Cb 0.69 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1am7 h GLU 136 CO -0.37 0.43 -0.19 1.25 -1.16 0.00 0.00 179.01 178.97 1am7 h HIS 137 N 0.66 0.83 -0.48 4.33 2.76 -1.90 -2.45 115.15 118.90 1am7 h HIS 137 Ca 0.47 -0.21 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1am7 h HIS 137 Cb 0.64 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1am7 h HIS 137 CO -0.08 0.93 -0.22 0.87 -1.30 0.00 0.00 177.93 178.13 1am7 h LYS 138 N 0.49 1.00 -0.72 5.26 1.57 -1.11 -2.92 116.57 120.14 1am7 h LYS 138 Ca 0.07 -0.43 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1am7 h LYS 138 Cb 0.73 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1am7 h LYS 138 CO 0.05 1.11 0.47 0.00 -0.57 0.00 0.00 179.45 180.51 1am7 h ALA 139 N 0.88 1.57 -0.73 3.86 0.00 -0.99 -2.50 119.26 121.36 1am7 h ALA 139 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1am7 h ALA 139 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1am7 h ALA 139 CO 0.07 0.36 0.48 -0.44 0.00 0.00 0.00 179.25 179.72 1am7 h ASP 140 N 0.88 0.83 0.06 0.00 5.19 -1.24 0.45 116.42 122.59 1am7 h ASP 140 Ca 0.28 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 1am7 h ASP 140 Cb 0.03 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 1am7 h ASP 140 CO -0.08 0.60 -0.35 0.77 -3.12 0.00 0.00 179.24 177.06 1am7 h SER 141 N 0.98 0.42 -0.41 6.45 4.64 -1.44 -2.55 113.55 121.65 1am7 h SER 141 Ca 0.27 -0.16 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 1am7 h SER 141 Cb -0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1am7 h SER 141 CO -0.06 0.74 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.29 1am7 h LEU 142 N 0.34 0.95 -0.97 5.97 3.38 -1.16 -2.78 115.31 121.05 1am7 h LEU 142 Ca 0.04 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1am7 h LEU 142 Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1am7 h LEU 142 CO 0.06 1.18 0.28 0.40 0.09 0.00 0.00 178.44 180.46 1am7 h ILE 143 N 0.73 1.24 -0.27 1.22 1.08 -0.86 -0.08 117.51 120.58 1am7 h ILE 143 Ca 0.08 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.81 1am7 h ILE 143 Cb 0.86 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1am7 h ILE 143 CO 0.08 0.30 0.16 0.00 -0.69 0.00 0.00 178.15 178.00 1am7 h ALA 144 N 1.30 0.34 -0.80 1.87 0.00 -1.32 -0.32 119.26 120.33 1am7 h ALA 144 Ca 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1am7 h ALA 144 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1am7 h ALA 144 CO -0.02 -0.15 0.37 0.87 0.00 0.00 0.00 179.25 180.32 1am7 h LYS 145 N 0.34 1.17 -0.49 0.00 1.79 -1.17 -1.39 116.57 116.82 1am7 h LYS 145 Ca 0.10 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1am7 h LYS 145 Cb 0.02 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 1am7 h LYS 145 CO -0.02 0.92 0.30 0.35 -1.08 0.00 0.00 179.45 179.92 1am7 h PHE 146 N 1.15 0.65 -0.53 -1.35 3.57 -0.67 -2.08 116.94 117.66 1am7 h PHE 146 Ca 0.27 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 1am7 h PHE 146 Cb 0.15 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1am7 h PHE 146 CO 0.01 0.44 -0.00 0.87 -2.23 0.00 0.00 178.31 177.41 1am7 h LYS 147 N 0.66 0.91 0.00 1.11 1.57 -0.66 -1.93 116.57 118.23 1am7 h LYS 147 Ca 0.18 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1am7 h LYS 147 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1am7 h LYS 147 CO -0.03 0.90 0.00 1.05 -0.57 0.00 0.00 179.45 180.80 1am7 h GLU 148 N 0.84 0.00 -0.01 3.15 4.11 -1.00 -1.46 114.58 120.21 1am7 h GLU 148 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1am7 h GLU 148 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1am7 h GLU 148 CO 0.02 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.10 1am7 n ALA 149 N -1.90 2.66 -0.05 1.06 0.00 -0.81 -4.87 120.51 116.60 1am7 n ALA 149 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1am7 n ALA 149 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1am7 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1am7 n GLY 150 N 1.02 0.68 3.82 0.00 0.00 -0.55 -4.63 105.19 105.52 1am7 n GLY 150 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1am7 n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1am7 s GLY 151 N -1.37 2.26 -0.16 -0.02 0.00 -0.76 -4.91 107.32 102.36 1am7 s GLY 151 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 44.72 45.05 1am7 s GLY 151 CO 0.00 0.65 -0.08 -0.51 0.00 0.00 0.00 173.10 173.16 1am7 s THR 152 N -2.34 3.43 0.13 0.90 -4.23 -1.26 -4.26 115.64 108.01 1am7 s THR 152 Ca 0.62 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1am7 s THR 152 Cb -0.11 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1am7 s THR 152 CO 0.24 0.49 0.32 -0.69 -0.54 0.00 0.00 174.62 174.44 1am7 s VAL 153 N 0.56 5.26 -2.78 2.29 1.01 -1.26 -4.36 120.40 121.13 1am7 s VAL 153 Ca -0.05 -0.29 0.26 0.00 0.00 0.00 0.00 61.98 61.90 1am7 s VAL 153 Cb -0.15 -3.67 0.35 0.00 0.00 0.00 0.00 36.38 32.91 1am7 s VAL 153 CO 0.03 -0.00 1.48 -1.14 0.00 0.00 0.00 175.10 175.46