#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii7 s SER 3 N 0.00 6.18 0.21 -1.43 1.04 -1.26 -3.46 113.70 114.98 2ii7 s SER 3 Ca 0.00 -1.46 0.07 0.00 0.48 0.00 0.00 55.95 55.04 2ii7 s SER 3 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2ii7 s SER 3 CO 0.00 -1.09 0.10 -0.63 0.98 0.00 0.00 173.24 172.60 2ii7 s ILE 4 N 2.58 4.12 0.00 -1.02 1.01 -1.26 -5.04 121.20 121.59 2ii7 s ILE 4 Ca 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 60.65 59.36 2ii7 s ILE 4 Cb -0.25 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2ii7 s ILE 4 CO 0.06 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2ii7 n GLY 5 N -0.62 -1.82 3.24 6.18 0.00 -1.26 -3.77 105.19 107.14 2ii7 n GLY 5 Ca -0.08 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 2ii7 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii7 s ARG 6 N 0.00 1.40 0.00 1.61 1.70 -0.80 -4.63 118.95 118.23 2ii7 s ARG 6 Ca 0.00 -1.77 0.21 0.00 -0.47 0.00 0.00 55.73 53.70 2ii7 s ARG 6 Cb 0.00 0.22 0.61 0.00 -0.57 0.00 0.00 34.95 35.21 2ii7 s ARG 6 CO 0.00 -0.46 1.48 0.25 -1.08 0.00 0.00 175.30 175.49 2ii7 n THR 7 N -0.41 0.32 -3.67 4.99 -2.24 -1.26 -1.10 114.28 110.91 2ii7 n THR 7 Ca 0.03 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2ii7 n THR 7 Cb 0.65 0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 2ii7 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii7 s TRP 9 N 2.39 1.40 -0.02 0.00 0.52 0.65 -4.97 118.94 118.90 2ii7 s TRP 9 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.77 2ii7 s TRP 9 Cb -0.12 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 2ii7 s TRP 9 CO -0.09 0.08 -0.16 0.00 0.02 0.00 0.00 176.95 176.80 2ii7 s ALA 10 N -1.04 1.35 -0.24 0.98 0.00 -1.26 0.50 121.76 122.05 2ii7 s ALA 10 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2ii7 s ALA 10 Cb -0.09 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.69 2ii7 s ALA 10 CO 0.02 0.29 -0.07 0.42 0.00 0.00 0.00 175.76 176.42 2ii7 s ILE 11 N -0.16 1.65 0.05 0.00 1.01 0.90 -5.00 121.20 119.65 2ii7 s ILE 11 Ca 0.02 -1.28 0.24 0.00 0.00 0.00 0.00 60.65 59.62 2ii7 s ILE 11 Cb -0.08 -1.88 0.24 0.00 0.01 0.00 0.00 42.46 40.75 2ii7 s ILE 11 CO 0.00 -0.07 1.78 0.00 0.00 0.00 0.00 174.94 176.66 2ii7 h ALA 12 N 7.92 0.98 -2.58 9.38 0.00 -1.91 0.67 119.26 133.72 2ii7 h ALA 12 Ca -0.19 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 53.98 2ii7 h ALA 12 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2ii7 h ALA 12 CO 0.42 0.27 -0.38 -2.00 0.00 0.00 0.00 179.25 177.56 2ii7 s GLU 13 N -3.54 3.50 -0.30 0.00 2.56 -1.26 -4.44 118.70 115.21 2ii7 s GLU 13 Ca 0.01 -0.40 -0.19 0.00 0.00 0.00 0.00 54.97 54.39 2ii7 s GLU 13 Cb 0.09 -2.89 0.20 0.00 2.00 0.00 0.00 34.13 33.53 2ii7 s GLU 13 CO 0.64 0.46 1.28 0.20 -0.56 0.00 0.00 175.26 177.28 2ii7 s GLY 14 N -3.08 0.31 -0.29 -1.50 0.00 -0.09 -4.55 107.32 98.12 2ii7 s GLY 14 Ca 0.37 3.67 -0.14 0.00 0.00 0.00 0.00 44.72 48.62 2ii7 s GLY 14 CO 0.28 3.32 0.84 -0.47 0.00 0.00 0.00 173.10 177.07 2ii7 s TYR 15 N 1.95 -0.90 -0.36 1.90 5.04 -1.26 -0.23 117.35 123.50 2ii7 s TYR 15 Ca -0.00 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.25 2ii7 s TYR 15 Cb -0.01 0.54 0.07 0.00 0.35 0.00 0.00 41.96 42.91 2ii7 s TYR 15 CO -0.16 -0.44 0.12 0.42 -1.34 0.00 0.00 175.55 174.15 2ii7 s ILE 16 N 2.05 3.42 0.40 3.14 1.01 -1.26 -4.76 121.20 125.19 2ii7 s ILE 16 Ca -0.07 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.79 2ii7 s ILE 16 Cb -0.06 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 2ii7 s ILE 16 CO -0.18 -0.35 1.18 -2.65 0.00 0.00 0.00 174.94 172.94 2ii7 n PRO 17 N 4.69 1.75 -2.14 2.79 -0.02 -1.26 0.10 135.00 140.91 2ii7 n PRO 17 Ca -0.09 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 2ii7 n PRO 17 Cb 0.43 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2ii7 n PRO 17 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ii7 s PRO 18 N -2.05 4.33 0.00 0.52 0.04 -1.26 -4.55 135.00 132.04 2ii7 s PRO 18 Ca 0.60 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.78 2ii7 s PRO 18 Cb -0.55 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2ii7 s PRO 18 CO 0.58 -0.35 0.00 0.98 0.04 0.00 0.00 177.00 178.25 2ii7 n TYR 19 N 2.89 0.00 -0.42 0.56 9.36 -1.26 -5.02 117.16 123.27 2ii7 n TYR 19 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 2ii7 n TYR 19 Cb 0.42 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 2ii7 n TYR 19 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2ii7 n GLY 20 N 2.98 1.36 2.07 2.98 0.00 -1.26 -4.93 105.19 108.39 2ii7 n GLY 20 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 2ii7 n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ii7 n ASN 21 N 0.00 4.46 -1.06 1.61 3.02 -1.26 -4.92 115.26 117.10 2ii7 n ASN 21 Ca 0.00 -3.31 0.00 0.00 -0.03 0.00 0.00 54.58 51.24 2ii7 n ASN 21 Cb 0.00 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 2ii7 n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ii7 n GLY 22 N -0.45 3.71 3.71 7.41 0.00 -1.26 -5.08 105.19 113.23 2ii7 n GLY 22 Ca 0.46 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 2ii7 n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ii7 s PRO 23 N -0.07 4.54 0.05 1.61 0.02 -1.26 -4.95 135.00 134.94 2ii7 s PRO 23 Ca 0.00 1.49 -0.37 0.00 0.02 0.00 0.00 61.00 62.14 2ii7 s PRO 23 Cb 0.00 -3.44 -0.17 0.00 0.02 0.00 0.00 34.50 30.91 2ii7 s PRO 23 CO 0.00 -0.09 1.32 -0.85 -0.33 0.00 0.00 177.00 177.06 2ii7 n GLU 24 N 3.88 0.98 -1.35 5.54 0.28 -1.26 -4.91 120.64 123.80 2ii7 n GLU 24 Ca 0.07 0.35 -0.32 0.00 -0.16 0.00 0.00 57.16 57.10 2ii7 n GLU 24 Cb 0.50 -1.98 0.09 0.00 1.43 0.00 0.00 31.44 31.48 2ii7 n GLU 24 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 2ii7 s PRO 25 N 0.58 2.20 0.54 3.44 0.02 -1.26 -4.96 135.00 135.55 2ii7 s PRO 25 Ca 0.86 1.39 0.33 0.00 0.02 0.00 0.00 61.00 63.60 2ii7 s PRO 25 Cb -1.01 -1.88 1.28 0.00 0.02 0.00 0.00 34.50 32.92 2ii7 s PRO 25 CO 0.49 -1.71 1.95 1.96 -0.33 0.00 0.00 177.00 179.36 2ii7 h GLN 26 N -0.76 0.00 -1.29 5.54 1.08 -2.02 -2.92 115.11 114.74 2ii7 h GLN 26 Ca -0.45 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.41 2ii7 h GLN 26 Cb 1.25 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.52 2ii7 h GLN 26 CO 0.50 0.00 0.44 1.97 -0.95 0.00 0.00 178.83 180.79 2ii7 n PHE 27 N -3.07 1.74 -4.17 2.96 -1.74 -1.26 -4.90 117.46 107.02 2ii7 n PHE 27 Ca 0.01 -1.79 -0.15 0.00 -0.56 0.00 0.00 57.45 54.96 2ii7 n PHE 27 Cb 0.32 -0.88 -0.11 0.00 1.52 0.00 0.00 39.48 40.33 2ii7 n PHE 27 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 2ii7 s ILE 28 N -2.34 0.94 -0.77 1.97 1.10 -1.10 -5.07 121.20 115.93 2ii7 s ILE 28 Ca 0.34 -1.58 -0.24 0.00 -0.51 0.00 0.00 60.65 58.65 2ii7 s ILE 28 Cb 0.27 -1.30 -0.15 0.00 0.15 0.00 0.00 42.46 41.44 2ii7 s ILE 28 CO 0.02 -0.52 2.40 -1.20 -2.11 0.00 0.00 174.94 173.53 2ii7 n SER 29 N 0.67 1.55 -1.97 4.50 7.64 -1.26 -4.77 113.62 119.97 2ii7 n SER 29 Ca -0.17 -1.21 -0.11 0.00 1.01 0.00 0.00 58.87 58.39 2ii7 n SER 29 Cb 0.57 -1.53 -0.15 0.00 -1.01 0.00 0.00 64.21 62.09 2ii7 n SER 29 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2ii7 n HIS 30 N 16.89 0.00 -1.42 1.43 8.25 -1.10 -4.72 115.22 134.55 2ii7 n HIS 30 Ca 0.48 -1.41 -0.50 0.00 -0.26 0.00 0.00 57.72 56.03 2ii7 n HIS 30 Cb 0.41 -1.47 -0.09 0.00 1.12 0.00 0.00 29.99 29.96 2ii7 n HIS 30 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2ii7 n GLU 31 N 2.43 0.68 -4.42 -0.41 2.13 -1.10 -3.95 120.64 116.01 2ii7 n GLU 31 Ca 0.38 0.16 -0.25 0.00 0.66 0.00 0.00 57.16 58.11 2ii7 n GLU 31 Cb 0.86 -2.20 -0.10 0.00 0.27 0.00 0.00 31.44 30.26 2ii7 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ii7 s THR 32 N 7.73 2.61 -0.36 6.31 2.01 -0.14 -2.51 115.64 131.30 2ii7 s THR 32 Ca 1.15 -2.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.00 2ii7 s THR 32 Cb -0.99 -2.32 0.09 0.00 0.01 0.00 0.00 72.50 69.29 2ii7 s THR 32 CO 0.51 -0.26 0.11 -0.69 -0.69 0.00 0.00 174.62 173.59 2ii7 s VAL 33 N -2.09 2.96 -0.17 3.82 1.01 0.00 -1.07 120.40 124.85 2ii7 s VAL 33 Ca 0.26 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 2ii7 s VAL 33 Cb -0.07 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2ii7 s VAL 33 CO 0.14 -0.49 0.78 0.00 0.00 0.00 0.00 175.10 175.52 2ii7 s ILE 35 N 2.01 2.05 -0.02 0.00 1.01 -0.47 -1.01 121.20 124.77 2ii7 s ILE 35 Ca 0.36 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.79 2ii7 s ILE 35 Cb -0.16 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.57 2ii7 s ILE 35 CO 0.12 0.43 -0.14 -0.22 0.00 0.00 0.00 174.94 175.13 2ii7 s LEU 36 N -0.99 1.93 -0.40 2.97 2.96 -0.09 -0.35 118.68 124.71 2ii7 s LEU 36 Ca 0.11 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2ii7 s LEU 36 Cb -0.10 -0.77 0.12 0.00 0.50 0.00 0.00 46.19 45.95 2ii7 s LEU 36 CO 0.01 0.14 0.19 0.21 -1.32 0.00 0.00 176.35 175.58 2ii7 s ASN 37 N -0.09 3.89 0.00 3.68 3.04 -0.20 -1.15 114.94 124.10 2ii7 s ASN 37 Ca 0.01 -2.37 0.30 0.00 0.04 0.00 0.00 52.86 50.84 2ii7 s ASN 37 Cb -0.08 -1.09 1.55 0.00 -1.54 0.00 0.00 41.25 40.09 2ii7 s ASN 37 CO 0.00 -0.31 2.05 0.00 -3.04 0.00 0.00 177.10 175.81 2ii7 n ALA 38 N 3.89 2.61 -1.44 1.71 0.00 -1.26 -0.72 120.51 125.31 2ii7 n ALA 38 Ca 0.05 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 2ii7 n ALA 38 Cb 0.37 -1.45 0.18 0.00 0.00 0.00 0.00 19.45 18.55 2ii7 n ALA 38 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ii7 s GLY 39 N -2.36 1.62 0.00 0.00 0.00 -1.23 -4.41 107.32 100.95 2ii7 s GLY 39 Ca 0.35 -0.79 0.25 0.00 0.00 0.00 0.00 44.72 44.53 2ii7 s GLY 39 CO 0.43 -0.07 1.44 1.22 0.00 0.00 0.00 173.10 176.12 2ii7 n ASP 40 N -4.13 2.53 -4.29 1.64 8.00 -1.26 -0.48 116.55 118.56 2ii7 n ASP 40 Ca 0.10 -1.83 -0.32 0.00 0.71 0.00 0.00 54.79 53.45 2ii7 n ASP 40 Cb 0.59 -0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.48 2ii7 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii7 s GLU 41 N -1.90 2.56 0.29 -1.24 2.12 -1.26 -4.83 118.70 114.44 2ii7 s GLU 41 Ca 0.33 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2ii7 s GLU 41 Cb 0.20 -2.19 -0.13 0.00 0.26 0.00 0.00 34.13 32.27 2ii7 s GLU 41 CO 0.31 0.40 1.25 -0.25 -0.54 0.00 0.00 175.26 176.43 2ii7 n ASP 42 N 2.90 2.31 -4.57 -1.70 9.92 -1.26 -4.30 116.55 119.85 2ii7 n ASP 42 Ca -0.17 1.18 -0.39 0.00 -0.53 0.00 0.00 54.79 54.87 2ii7 n ASP 42 Cb 0.52 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 39.50 2ii7 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ii7 s ALA 43 N -0.70 3.53 -0.78 2.24 0.00 0.21 -4.82 121.76 121.44 2ii7 s ALA 43 Ca 0.61 -1.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 2ii7 s ALA 43 Cb -0.65 -2.61 0.18 0.00 0.00 0.00 0.00 23.12 20.04 2ii7 s ALA 43 CO 0.57 -0.74 0.78 -1.01 0.00 0.00 0.00 175.76 175.35 2ii7 s HIS 44 N 1.84 3.52 0.25 0.00 3.76 -1.26 0.31 115.29 123.70 2ii7 s HIS 44 Ca 0.09 -1.70 -0.27 0.00 -0.15 0.00 0.00 55.06 53.03 2ii7 s HIS 44 Cb -0.16 -3.91 -0.09 0.00 1.11 0.00 0.00 32.58 29.53 2ii7 s HIS 44 CO 0.11 -1.10 0.88 0.08 -0.85 0.00 0.00 174.74 173.86 2ii7 s VAL 45 N 1.00 4.23 -0.12 -0.90 1.01 -0.03 -3.70 120.40 121.90 2ii7 s VAL 45 Ca 0.17 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 2ii7 s VAL 45 Cb -0.14 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2ii7 s VAL 45 CO -0.06 0.37 -0.05 -1.61 0.00 0.00 0.00 175.10 173.75 2ii7 s GLU 46 N -1.52 1.28 -0.10 2.72 2.02 0.42 -1.89 118.70 121.63 2ii7 s GLU 46 Ca 0.43 -0.23 -0.03 0.00 0.02 0.00 0.00 54.97 55.16 2ii7 s GLU 46 Cb -0.22 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 2ii7 s GLU 46 CO 0.27 -0.32 0.02 0.42 0.02 0.00 0.00 175.26 175.67 2ii7 s ILE 47 N 1.76 4.50 -0.10 -1.63 1.01 -0.98 -1.54 121.20 124.22 2ii7 s ILE 47 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2ii7 s ILE 47 Cb -0.13 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.43 2ii7 s ILE 47 CO -0.07 0.59 -0.20 -0.89 0.00 0.00 0.00 174.94 174.37 2ii7 s THR 48 N -0.73 1.76 -0.16 2.92 2.01 -0.67 -0.47 115.64 120.29 2ii7 s THR 48 Ca 0.12 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 2ii7 s THR 48 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2ii7 s THR 48 CO 0.02 0.49 0.08 -0.63 -0.69 0.00 0.00 174.62 173.90 2ii7 s ILE 49 N 0.54 4.97 0.08 1.82 -1.09 -1.23 -1.39 121.20 124.90 2ii7 s ILE 49 Ca -0.15 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 2ii7 s ILE 49 Cb -0.17 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2ii7 s ILE 49 CO 0.06 0.50 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.88 2ii7 s TYR 50 N -0.04 2.80 0.39 3.97 1.51 0.16 -1.36 117.35 124.77 2ii7 s TYR 50 Ca 0.07 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 2ii7 s TYR 50 Cb -0.12 -1.48 -0.06 0.00 -0.11 0.00 0.00 41.96 40.20 2ii7 s TYR 50 CO 0.01 0.42 0.04 0.71 -1.11 0.00 0.00 175.55 175.62 2ii7 s TYR 51 N -1.18 2.10 -0.73 2.71 2.02 -1.26 -1.46 117.35 119.56 2ii7 s TYR 51 Ca 0.21 -0.91 0.25 0.00 -0.37 0.00 0.00 57.07 56.25 2ii7 s TYR 51 Cb -0.11 -1.48 0.43 0.00 -0.40 0.00 0.00 41.96 40.40 2ii7 s TYR 51 CO 0.13 0.14 1.38 -1.13 -1.57 0.00 0.00 175.55 174.50 2ii7 n SER 52 N -0.96 0.64 0.00 2.29 3.41 -1.26 -4.52 113.62 113.22 2ii7 n SER 52 Ca -0.06 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2ii7 n SER 52 Cb 0.67 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2ii7 n SER 52 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ii7 n ASP 53 N -1.97 2.60 -4.65 4.04 5.68 -1.26 -5.10 116.55 115.88 2ii7 n ASP 53 Ca 0.04 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.08 2ii7 n ASP 53 Cb 0.41 0.36 -0.09 0.00 -1.14 0.00 0.00 41.12 40.66 2ii7 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii7 s LYS 54 N -1.35 2.09 0.89 0.11 -2.85 -1.26 -5.13 119.74 112.24 2ii7 s LYS 54 Ca 0.00 -1.82 -0.10 0.00 -1.00 0.00 0.00 55.97 53.05 2ii7 s LYS 54 Cb 0.00 -1.90 0.13 0.00 -2.06 0.00 0.00 37.83 34.00 2ii7 s LYS 54 CO 0.00 0.06 1.12 -1.21 0.10 0.00 0.00 175.35 175.41 2ii7 s GLU 55 N -3.75 1.27 0.45 1.78 0.41 -1.26 -4.06 118.70 113.53 2ii7 s GLU 55 Ca 0.36 1.32 -0.25 0.00 -0.41 0.00 0.00 54.97 55.99 2ii7 s GLU 55 Cb 0.02 -1.77 -0.08 0.00 -1.78 0.00 0.00 34.13 30.52 2ii7 s GLU 55 CO 0.20 -2.38 1.41 -2.14 -0.49 0.00 0.00 175.26 171.86 2ii7 s PRO 56 N -4.74 3.68 -0.28 0.39 0.02 -1.26 -4.67 135.00 128.15 2ii7 s PRO 56 Ca 0.65 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.88 2ii7 s PRO 56 Cb -0.21 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 2ii7 s PRO 56 CO 0.58 -0.81 0.49 0.08 -0.33 0.00 0.00 177.00 177.01 2ii7 s VAL 57 N -1.21 5.07 0.00 3.83 1.01 -0.47 -4.97 120.40 123.67 2ii7 s VAL 57 Ca 0.61 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 2ii7 s VAL 57 Cb -0.43 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2ii7 s VAL 57 CO 0.55 0.05 -0.00 0.61 0.00 0.00 0.00 175.10 176.30 2ii7 n GLY 58 N 4.51 -0.01 3.64 4.51 0.00 -1.26 -3.50 105.19 113.08 2ii7 n GLY 58 Ca -0.05 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2ii7 n GLY 58 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ii7 s PRO 59 N -0.01 3.88 -0.69 1.61 0.02 -1.26 -4.59 135.00 133.95 2ii7 s PRO 59 Ca 0.00 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.12 2ii7 s PRO 59 Cb 0.00 -4.16 0.13 0.00 0.02 0.00 0.00 34.50 30.49 2ii7 s PRO 59 CO 0.00 -1.23 0.80 0.71 -0.33 0.00 0.00 177.00 176.94 2ii7 s TYR 60 N 5.32 3.14 0.56 6.54 1.51 0.38 -4.44 117.35 130.37 2ii7 s TYR 60 Ca 0.86 -1.21 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 2ii7 s TYR 60 Cb -0.36 -4.04 -0.05 0.00 -0.11 0.00 0.00 41.96 37.40 2ii7 s TYR 60 CO 0.36 -1.29 1.10 1.03 -1.11 0.00 0.00 175.55 175.64 2ii7 s ARG 61 N 2.28 3.33 -0.13 -0.62 0.52 -1.26 -2.32 118.95 120.76 2ii7 s ARG 61 Ca 0.17 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 2ii7 s ARG 61 Cb -0.18 -2.02 0.13 0.00 0.52 0.00 0.00 34.95 33.40 2ii7 s ARG 61 CO 0.01 -0.83 1.02 -1.17 0.02 0.00 0.00 175.30 174.35 2ii7 s LEU 62 N -4.05 -0.31 -0.01 2.53 0.20 -0.79 -4.98 118.68 111.27 2ii7 s LEU 62 Ca 0.69 0.19 0.05 0.00 0.69 0.00 0.00 54.13 55.75 2ii7 s LEU 62 Cb -0.20 1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 47.32 2ii7 s LEU 62 CO 0.30 -0.39 -0.16 -0.89 -0.29 0.00 0.00 176.35 174.92 2ii7 s THR 63 N -1.92 1.25 -0.32 3.68 2.01 -1.26 -0.85 115.64 118.23 2ii7 s THR 63 Ca 0.03 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2ii7 s THR 63 Cb -0.01 -1.04 0.09 0.00 0.01 0.00 0.00 72.50 71.56 2ii7 s THR 63 CO -0.03 0.35 0.02 -0.69 -0.69 0.00 0.00 174.62 173.58 2ii7 s VAL 64 N -0.38 2.22 0.50 3.82 1.01 0.15 -4.97 120.40 122.75 2ii7 s VAL 64 Ca 0.06 -2.19 -0.20 0.00 0.00 0.00 0.00 61.98 59.65 2ii7 s VAL 64 Cb -0.06 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 2ii7 s VAL 64 CO -0.01 -0.50 0.68 -2.65 0.00 0.00 0.00 175.10 172.62 2ii7 n PRO 65 N 4.30 0.74 -1.63 2.72 -0.02 -1.26 -0.62 135.00 139.23 2ii7 n PRO 65 Ca 0.01 0.28 -0.44 0.00 -2.02 0.00 0.00 63.50 61.33 2ii7 n PRO 65 Cb 0.42 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 2ii7 n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ii7 n ALA 66 N -1.23 0.39 -3.82 3.55 0.00 -1.26 -2.27 120.51 115.88 2ii7 n ALA 66 Ca 0.11 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 2ii7 n ALA 66 Cb 0.44 -2.11 0.03 0.00 0.00 0.00 0.00 19.45 17.80 2ii7 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii7 n ARG 67 N 0.62 -5.22 -3.99 0.00 1.74 0.36 -4.98 116.66 105.19 2ii7 n ARG 67 Ca 0.08 0.60 -0.09 0.00 -0.77 0.00 0.00 57.85 57.67 2ii7 n ARG 67 Cb 0.34 -5.33 -0.08 0.00 -1.02 0.00 0.00 32.46 26.37 2ii7 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii7 s ARG 68 N -6.34 0.86 0.38 5.56 1.81 -0.55 -4.97 118.95 115.69 2ii7 s ARG 68 Ca 0.36 -1.15 0.08 0.00 -1.72 0.00 0.00 55.73 53.30 2ii7 s ARG 68 Cb -0.18 0.30 -0.05 0.00 -0.45 0.00 0.00 34.95 34.57 2ii7 s ARG 68 CO 0.82 -0.26 0.10 -0.08 -0.68 0.00 0.00 175.30 175.21 2ii7 s THR 69 N -3.93 2.50 -0.30 0.02 -1.32 -1.26 -1.03 115.64 110.32 2ii7 s THR 69 Ca 0.11 -1.82 -0.13 0.00 -1.21 0.00 0.00 61.69 58.64 2ii7 s THR 69 Cb 0.06 -2.92 0.16 0.00 -1.51 0.00 0.00 72.50 68.28 2ii7 s THR 69 CO -0.06 -0.10 0.88 -0.75 -2.21 0.00 0.00 174.62 172.38 2ii7 s LYS 70 N -3.81 0.38 0.04 7.08 2.20 0.53 -4.95 119.74 121.20 2ii7 s LYS 70 Ca 0.38 0.92 -0.21 0.00 -0.36 0.00 0.00 55.97 56.70 2ii7 s LYS 70 Cb 0.02 0.55 -0.06 0.00 -1.51 0.00 0.00 37.83 36.83 2ii7 s LYS 70 CO 0.21 -0.16 0.62 -1.01 -0.36 0.00 0.00 175.35 174.65 2ii7 s HIS 71 N 2.62 3.75 -0.24 4.03 3.76 -1.26 -1.37 115.29 126.58 2ii7 s HIS 71 Ca -0.02 1.29 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 2ii7 s HIS 71 Cb -0.08 -2.61 0.07 0.00 1.11 0.00 0.00 32.58 31.06 2ii7 s HIS 71 CO -0.18 0.43 -0.01 0.08 -0.85 0.00 0.00 174.74 174.21 2ii7 s VAL 72 N -0.54 1.33 0.01 -0.90 1.01 -0.45 -4.95 120.40 115.91 2ii7 s VAL 72 Ca 0.32 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2ii7 s VAL 72 Cb -0.19 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2ii7 s VAL 72 CO 0.19 -0.21 1.16 -0.13 0.00 0.00 0.00 175.10 176.11 2ii7 s ARG 73 N 1.47 4.43 0.34 2.72 0.52 -1.26 -0.82 118.95 126.35 2ii7 s ARG 73 Ca -0.02 1.67 0.02 0.00 -0.52 0.00 0.00 55.73 56.87 2ii7 s ARG 73 Cb -0.18 -3.44 0.60 0.00 0.52 0.00 0.00 34.95 32.45 2ii7 s ARG 73 CO -0.09 -0.29 2.00 0.74 0.02 0.00 0.00 175.30 177.68 2ii7 h PHE 74 N 7.03 0.85 -0.63 -0.53 0.04 -1.84 -1.96 116.94 119.89 2ii7 h PHE 74 Ca -0.39 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.44 2ii7 h PHE 74 Cb 1.20 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 39.02 2ii7 h PHE 74 CO 0.69 0.53 0.41 -0.97 -0.60 0.00 0.00 178.31 178.37 2ii7 h ASN 75 N 0.91 0.63 0.54 2.17 -0.73 -1.91 -0.92 115.58 116.27 2ii7 h ASN 75 Ca 0.25 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.42 2ii7 h ASN 75 Cb -0.08 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2ii7 h ASN 75 CO -0.06 0.43 0.00 0.47 -0.37 0.00 0.00 177.43 177.90 2ii7 n ASP 76 N -4.46 0.11 -4.75 1.15 9.92 -0.74 -4.74 116.55 113.04 2ii7 n ASP 76 Ca 0.08 0.53 -0.41 0.00 -0.53 0.00 0.00 54.79 54.46 2ii7 n ASP 76 Cb 0.14 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.03 2ii7 n ASP 76 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ii7 s LEU 77 N -3.25 4.49 0.00 0.64 1.02 -0.35 -4.88 118.68 116.35 2ii7 s LEU 77 Ca 0.07 2.34 0.00 0.00 0.02 0.00 0.00 54.13 56.55 2ii7 s LEU 77 Cb 0.10 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.68 2ii7 s LEU 77 CO 0.29 -0.30 0.00 -0.46 0.02 0.00 0.00 176.35 175.89 2ii7 n ASN 78 N 1.63 0.00 -4.34 2.29 0.23 -1.25 -4.12 115.26 109.71 2ii7 n ASN 78 Ca 0.01 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.72 2ii7 n ASN 78 Cb 0.44 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.00 2ii7 n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ii7 s ASP 79 N -0.66 4.13 0.25 0.53 2.15 -1.26 -0.54 116.67 121.26 2ii7 s ASP 79 Ca 0.00 -0.36 -0.04 0.00 0.43 0.00 0.00 52.55 52.58 2ii7 s ASP 79 Cb 0.00 -1.66 0.39 0.00 -0.30 0.00 0.00 42.92 41.35 2ii7 s ASP 79 CO 0.00 0.08 1.82 -0.65 -0.17 0.00 0.00 175.17 176.25 2ii7 h PRO 80 N 7.32 0.80 -3.72 4.34 0.11 -1.88 -3.41 132.00 135.56 2ii7 h PRO 80 Ca -0.34 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 2ii7 h PRO 80 Cb 1.19 -0.18 -0.13 0.00 0.11 0.00 0.00 31.00 31.98 2ii7 h PRO 80 CO 0.59 0.53 -0.28 0.00 -0.21 0.00 0.00 178.00 178.63 2ii7 s ALA 81 N -6.03 -0.34 0.44 -0.75 0.00 0.29 -5.15 121.76 110.21 2ii7 s ALA 81 Ca -0.12 -0.55 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 2ii7 s ALA 81 Cb 0.19 0.64 -0.10 0.00 0.00 0.00 0.00 23.12 23.86 2ii7 s ALA 81 CO 0.78 -0.59 0.98 -2.14 0.00 0.00 0.00 175.76 174.80 2ii7 s PRO 82 N -3.88 4.13 -0.16 0.00 0.02 -1.15 -3.84 135.00 130.12 2ii7 s PRO 82 Ca 0.08 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 2ii7 s PRO 82 Cb 0.04 -2.23 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 2ii7 s PRO 82 CO -0.08 -0.13 0.99 0.42 -0.33 0.00 0.00 177.00 177.87 2ii7 s ILE 83 N -2.04 4.76 -0.04 2.83 1.09 -1.26 -4.97 121.20 121.57 2ii7 s ILE 83 Ca 0.62 1.97 -0.35 0.00 -1.10 0.00 0.00 60.65 61.79 2ii7 s ILE 83 Cb -0.13 -4.28 -0.14 0.00 -1.06 0.00 0.00 42.46 36.85 2ii7 s ILE 83 CO 0.17 -0.06 1.72 -2.65 -0.10 0.00 0.00 174.94 174.02 2ii7 n PRO 84 N 5.53 1.87 -1.31 2.79 -0.02 -1.26 -4.95 135.00 137.66 2ii7 n PRO 84 Ca 0.09 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 2ii7 n PRO 84 Cb 0.48 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.62 2ii7 n PRO 84 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2ii7 s HIS 85 N 2.80 2.49 -1.48 6.00 3.76 -1.26 -3.66 115.29 123.93 2ii7 s HIS 85 Ca 0.89 1.26 -0.08 0.00 -0.15 0.00 0.00 55.06 56.98 2ii7 s HIS 85 Cb -0.79 -3.14 0.06 0.00 1.11 0.00 0.00 32.58 29.83 2ii7 s HIS 85 CO 0.50 -2.16 0.75 -3.47 -0.85 0.00 0.00 174.74 169.52 2ii7 n ASP 86 N -3.72 -2.65 -3.78 1.40 -0.08 0.29 -4.87 116.55 103.14 2ii7 n ASP 86 Ca 0.07 -0.88 -0.15 0.00 -1.51 0.00 0.00 54.79 52.31 2ii7 n ASP 86 Cb 0.55 -3.54 -0.16 0.00 2.34 0.00 0.00 41.12 40.32 2ii7 n ASP 86 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ii7 s THR 87 N -3.54 -0.01 -0.10 5.18 2.01 -1.24 -4.97 115.64 112.97 2ii7 s THR 87 Ca 0.37 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 2ii7 s THR 87 Cb -0.19 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.18 2ii7 s THR 87 CO 0.86 0.10 1.17 -1.81 -0.69 0.00 0.00 174.62 174.25 2ii7 s ASP 88 N 1.08 7.07 0.34 3.53 1.01 -1.26 -4.39 116.67 124.05 2ii7 s ASP 88 Ca -0.09 1.71 0.04 0.00 0.71 0.00 0.00 52.55 54.92 2ii7 s ASP 88 Cb -0.13 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2ii7 s ASP 88 CO -0.03 -0.60 0.17 0.72 0.21 0.00 0.00 175.17 175.64 2ii7 s PHE 89 N 2.51 1.68 0.10 4.23 -0.71 0.68 -4.24 117.98 122.23 2ii7 s PHE 89 Ca 0.53 -1.39 -0.04 0.00 -1.04 0.00 0.00 56.93 54.99 2ii7 s PHE 89 Cb -0.22 -0.92 -0.03 0.00 -1.21 0.00 0.00 43.02 40.64 2ii7 s PHE 89 CO 0.19 -0.51 0.10 0.00 -1.34 0.00 0.00 175.22 173.66 2ii7 s ALA 90 N -3.47 0.33 0.09 1.99 0.00 -0.53 -0.92 121.76 119.25 2ii7 s ALA 90 Ca 0.33 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2ii7 s ALA 90 Cb 0.04 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2ii7 s ALA 90 CO 0.18 -0.48 0.06 -1.54 0.00 0.00 0.00 175.76 173.98 2ii7 s SER 91 N -2.95 0.34 -0.07 0.00 1.04 0.23 0.35 113.70 112.64 2ii7 s SER 91 Ca 0.13 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.58 2ii7 s SER 91 Cb 0.06 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2ii7 s SER 91 CO -0.05 -0.68 -0.09 -0.69 0.98 0.00 0.00 173.24 172.71 2ii7 s VAL 92 N -3.95 0.93 -0.21 5.02 1.01 -0.49 -0.07 120.40 122.64 2ii7 s VAL 92 Ca 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2ii7 s VAL 92 Cb 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2ii7 s VAL 92 CO -0.06 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.66 2ii7 s ILE 93 N 1.00 3.17 0.15 2.22 1.09 0.18 -1.68 121.20 127.34 2ii7 s ILE 93 Ca -0.09 -0.57 0.11 0.00 -1.10 0.00 0.00 60.65 59.00 2ii7 s ILE 93 Cb -0.15 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.79 2ii7 s ILE 93 CO -0.00 0.45 -0.26 -1.10 -0.10 0.00 0.00 174.94 173.93 2ii7 s GLN 94 N 1.33 1.43 0.11 2.79 -0.21 -0.59 -0.25 119.66 124.28 2ii7 s GLN 94 Ca 0.04 -1.41 -0.08 0.00 0.02 0.00 0.00 55.36 53.93 2ii7 s GLN 94 Cb -0.14 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.01 2ii7 s GLN 94 CO -0.04 0.42 0.20 0.45 -2.12 0.00 0.00 175.29 174.21 2ii7 s SER 95 N -2.30 0.12 0.17 5.90 0.15 -0.46 -0.43 113.70 116.84 2ii7 s SER 95 Ca 0.16 -0.77 0.12 0.00 0.70 0.00 0.00 55.95 56.16 2ii7 s SER 95 Cb -0.09 0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 64.50 2ii7 s SER 95 CO 0.07 -0.78 1.26 -0.55 1.20 0.00 0.00 173.24 174.44 2ii7 h ASN 96 N 2.71 0.00 -3.61 5.45 -1.07 -1.88 -3.44 115.58 113.73 2ii7 h ASN 96 Ca -0.33 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.48 2ii7 h ASN 96 Cb 1.21 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 37.27 2ii7 h ASN 96 CO 0.54 0.73 -0.80 0.68 0.07 0.00 0.00 177.43 178.65 2ii7 s VAL 97 N -2.84 1.91 0.26 6.14 -7.23 -1.26 -5.02 120.40 112.36 2ii7 s VAL 97 Ca 0.01 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.02 2ii7 s VAL 97 Cb 0.09 -1.85 -0.13 0.00 0.56 0.00 0.00 36.38 35.05 2ii7 s VAL 97 CO 0.79 -0.22 1.46 -2.65 -0.31 0.00 0.00 175.10 174.17 2ii7 n PRO 98 N 0.46 2.24 -4.15 4.82 -0.02 -1.26 -4.56 135.00 132.52 2ii7 n PRO 98 Ca -0.14 0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 2ii7 n PRO 98 Cb 0.56 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 2ii7 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii7 s ILE 99 N -0.10 0.32 -0.17 4.25 -4.36 -0.26 -4.74 121.20 116.14 2ii7 s ILE 99 Ca 0.66 -1.90 -0.02 0.00 -0.26 0.00 0.00 60.65 59.13 2ii7 s ILE 99 Cb -0.60 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 2ii7 s ILE 99 CO 0.50 -0.67 -0.09 -0.69 0.24 0.00 0.00 174.94 174.23 2ii7 s VAL 100 N -3.88 3.18 -0.04 8.37 1.01 -0.30 -1.90 120.40 126.84 2ii7 s VAL 100 Ca 0.18 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2ii7 s VAL 100 Cb 0.07 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2ii7 s VAL 100 CO -0.02 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.68 2ii7 s VAL 101 N 0.90 2.63 -0.09 2.92 1.01 -1.26 -0.91 120.40 125.60 2ii7 s VAL 101 Ca -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 2ii7 s VAL 101 Cb -0.15 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2ii7 s VAL 101 CO 0.00 0.59 0.17 -1.58 0.00 0.00 0.00 175.10 174.28 2ii7 s GLN 102 N -0.68 0.05 0.17 2.72 0.74 -0.18 -5.00 119.66 117.47 2ii7 s GLN 102 Ca 0.11 0.58 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 2ii7 s GLN 102 Cb -0.10 -0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.69 2ii7 s GLN 102 CO -0.00 -0.30 0.95 -1.58 -0.55 0.00 0.00 175.29 173.80 2ii7 s HIS 103 N 2.27 3.89 -0.07 1.67 5.65 -1.26 -1.01 115.29 126.43 2ii7 s HIS 103 Ca 0.02 1.85 0.03 0.00 0.25 0.00 0.00 55.06 57.21 2ii7 s HIS 103 Cb -0.12 -3.02 0.01 0.00 -1.18 0.00 0.00 32.58 28.28 2ii7 s HIS 103 CO -0.06 0.32 -0.13 0.95 -0.65 0.00 0.00 174.74 175.17 2ii7 s THR 104 N -0.53 1.22 0.09 0.89 -4.23 -0.24 -4.96 115.64 107.88 2ii7 s THR 104 Ca 0.44 -0.54 0.09 0.00 -1.18 0.00 0.00 61.69 60.51 2ii7 s THR 104 Cb -0.24 -1.10 -0.13 0.00 1.34 0.00 0.00 72.50 72.36 2ii7 s THR 104 CO 0.31 0.37 1.36 0.03 -0.54 0.00 0.00 174.62 176.15 2ii7 h ARG 105 N 6.88 0.00 -3.11 3.99 3.08 -1.88 -0.34 114.38 123.01 2ii7 h ARG 105 Ca -0.30 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.49 2ii7 h ARG 105 Cb 1.19 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.91 2ii7 h ARG 105 CO 0.47 0.84 -0.59 -0.48 -1.07 0.00 0.00 179.97 179.15 2ii7 s LEU 106 N -6.77 0.22 1.26 3.04 0.05 -1.26 -2.70 118.68 112.52 2ii7 s LEU 106 Ca 0.01 0.38 -0.17 0.00 0.05 0.00 0.00 54.13 54.40 2ii7 s LEU 106 Cb 0.10 0.41 0.30 0.00 -2.05 0.00 0.00 46.19 44.95 2ii7 s LEU 106 CO 0.80 -0.20 0.82 -0.90 -0.55 0.00 0.00 176.35 176.31 2ii7 n ASP 107 N 4.83 -2.64 -0.02 1.48 5.68 -1.25 -4.88 116.55 119.75 2ii7 n ASP 107 Ca -0.15 -0.39 -0.09 0.00 -0.50 0.00 0.00 54.79 53.66 2ii7 n ASP 107 Cb 0.51 -1.12 -0.04 0.00 -1.14 0.00 0.00 41.12 39.33 2ii7 n ASP 107 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2ii7 h SER 108 N -2.93 -0.19 0.00 -1.12 0.02 -2.01 -2.98 113.55 104.34 2ii7 h SER 108 Ca -0.55 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2ii7 h SER 108 Cb 1.32 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2ii7 h SER 108 CO 0.40 -0.07 0.00 0.54 -1.14 0.00 0.00 176.83 176.56 2ii7 n ARG 109 N -5.19 0.62 -0.09 3.45 1.74 -1.26 -1.96 116.66 113.97 2ii7 n ARG 109 Ca -0.03 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.88 2ii7 n ARG 109 Cb 0.12 -1.14 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 2ii7 n ARG 109 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ii7 n GLN 110 N -0.64 0.68 0.26 5.56 6.02 -1.13 -4.00 117.38 124.13 2ii7 n GLN 110 Ca 0.04 0.15 0.14 0.00 -0.01 0.00 0.00 57.00 57.32 2ii7 n GLN 110 Cb 0.02 -1.57 0.64 0.00 1.02 0.00 0.00 30.24 30.35 2ii7 n GLN 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ii7 h ALA 111 N 0.27 1.04 0.00 -1.58 0.00 -1.45 -2.58 119.26 114.96 2ii7 h ALA 111 Ca -0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2ii7 h ALA 111 Cb 2.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2ii7 h ALA 111 CO -0.02 0.12 0.00 -0.85 0.00 0.00 0.00 179.25 178.49 2ii7 n GLU 112 N -3.27 0.32 -0.22 0.00 0.28 -0.98 -2.38 120.64 114.40 2ii7 n GLU 112 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2ii7 n GLU 112 Cb 0.33 -1.01 0.22 0.00 1.43 0.00 0.00 31.44 32.42 2ii7 n GLU 112 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2ii7 n ASN 113 N -0.46 3.46 0.00 -1.84 4.13 -0.97 -4.19 115.26 115.38 2ii7 n ASN 113 Ca 0.00 -1.97 0.05 0.00 1.68 0.00 0.00 54.58 54.34 2ii7 n ASN 113 Cb 0.00 -0.29 0.26 0.00 -1.54 0.00 0.00 39.78 38.21 2ii7 n ASN 113 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ii7 n ALA 114 N 1.41 1.77 -2.36 5.41 0.00 -1.00 -4.56 120.51 121.17 2ii7 n ALA 114 Ca 0.19 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2ii7 n ALA 114 Cb 0.58 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 2ii7 n ALA 114 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2ii7 s LEU 115 N -2.17 3.52 0.00 0.00 0.05 -1.26 -5.24 118.68 113.59 2ii7 s LEU 115 Ca 0.12 0.65 0.00 0.00 0.05 0.00 0.00 54.13 54.95 2ii7 s LEU 115 Cb 0.06 -3.38 0.00 0.00 -2.05 0.00 0.00 46.19 40.83 2ii7 s LEU 115 CO 0.11 -1.54 0.00 -0.11 -0.55 0.00 0.00 176.35 174.27