#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7t n PRO 11 N 7.31 0.71 -3.59 0.00 -0.04 -1.26 -4.70 135.00 133.43 1x7t n PRO 11 Ca 0.08 -0.27 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 1x7t n PRO 11 Cb 0.49 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 1x7t n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x7t s LEU 12 N -2.47 0.03 0.07 1.53 2.96 -1.26 -0.81 118.68 118.74 1x7t s LEU 12 Ca 0.28 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1x7t s LEU 12 Cb 0.20 0.16 -0.03 0.00 0.50 0.00 0.00 46.19 47.02 1x7t s LEU 12 CO 0.48 -0.30 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.03 1x7t s MET 13 N 2.26 0.83 -0.02 1.98 -1.94 0.10 -4.39 119.30 118.11 1x7t s MET 13 Ca 0.04 -0.97 0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1x7t s MET 13 Cb -0.14 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.87 1x7t s MET 13 CO -0.09 0.18 -0.15 0.08 -0.01 0.00 0.00 175.02 175.03 1x7t s VAL 14 N -1.34 1.23 -0.05 -6.03 1.01 -0.82 0.00 120.40 114.40 1x7t s VAL 14 Ca -0.01 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1x7t s VAL 14 Cb -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1x7t s VAL 14 CO 0.02 0.35 -0.08 -1.59 0.00 0.00 0.00 175.10 173.80 1x7t s LYS 15 N -0.20 1.25 -0.04 2.72 -2.85 0.02 -0.72 119.74 119.92 1x7t s LYS 15 Ca 0.03 -0.26 0.02 0.00 -1.00 0.00 0.00 55.97 54.76 1x7t s LYS 15 Cb -0.08 -1.11 0.01 0.00 -2.06 0.00 0.00 37.83 34.60 1x7t s LYS 15 CO 0.00 -0.02 -0.09 0.08 0.10 0.00 0.00 175.35 175.42 1x7t s VAL 16 N 0.76 0.83 0.12 1.79 1.01 0.17 -0.90 120.40 124.18 1x7t s VAL 16 Ca -0.13 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1x7t s VAL 16 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1x7t s VAL 16 CO 0.02 0.27 -0.17 -0.76 0.00 0.00 0.00 175.10 174.46 1x7t s LEU 17 N 0.47 2.73 -0.30 3.92 1.43 -0.62 -1.07 118.68 125.25 1x7t s LEU 17 Ca -0.08 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 1x7t s LEU 17 Cb -0.12 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1x7t s LEU 17 CO 0.01 0.17 0.14 -0.62 0.23 0.00 0.00 176.35 176.29 1x7t s ASP 18 N -2.19 5.52 0.14 2.29 -1.08 0.38 -1.13 116.67 120.60 1x7t s ASP 18 Ca 0.19 -0.47 0.27 0.00 -0.52 0.00 0.00 52.55 52.01 1x7t s ASP 18 Cb -0.10 -2.00 0.96 0.00 -1.46 0.00 0.00 42.92 40.31 1x7t s ASP 18 CO 0.11 -0.17 1.82 0.00 0.52 0.00 0.00 175.17 177.44 1x7t n ALA 19 N 4.98 2.25 -0.03 3.66 0.00 -0.27 -1.09 120.51 130.00 1x7t n ALA 19 Ca -0.14 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.06 1x7t n ALA 19 Cb 0.49 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 1x7t n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x7t h VAL 20 N 0.00 1.28 0.00 0.00 2.07 -1.94 -3.37 116.25 114.29 1x7t h VAL 20 Ca 0.00 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.13 1x7t h VAL 20 Cb 0.63 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1x7t h VAL 20 CO 0.00 0.60 -0.73 0.03 0.02 0.00 0.00 177.57 177.48 1x7t h ARG 21 N -0.65 0.00 -3.78 1.57 3.08 -1.94 -3.48 114.38 109.18 1x7t h ARG 21 Ca -0.21 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.66 1x7t h ARG 21 Cb 1.45 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.58 1x7t h ARG 21 CO 0.00 0.08 -0.39 0.41 -1.07 0.00 0.00 179.97 179.00 1x7t n GLY 22 N 1.19 0.07 3.50 0.04 0.00 -0.25 -5.04 105.19 104.71 1x7t n GLY 22 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1x7t n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x7t s SER 23 N -3.52 -0.07 0.55 1.61 1.04 -1.08 -5.01 113.70 107.22 1x7t s SER 23 Ca 0.11 -0.88 -0.22 0.00 0.48 0.00 0.00 55.95 55.44 1x7t s SER 23 Cb -0.05 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1x7t s SER 23 CO 0.38 -1.06 1.30 -2.65 0.98 0.00 0.00 173.24 172.20 1x7t n PRO 24 N -0.33 1.59 -3.05 4.02 -0.02 -1.26 -0.47 135.00 135.47 1x7t n PRO 24 Ca -0.04 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1x7t n PRO 24 Cb 0.62 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1x7t n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x7t s ALA 25 N -1.31 3.32 0.01 3.55 0.00 -0.23 -4.52 121.76 122.58 1x7t s ALA 25 Ca 0.72 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 1x7t s ALA 25 Cb -0.43 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1x7t s ALA 25 CO 0.49 -1.96 0.25 0.42 0.00 0.00 0.00 175.76 174.96 1x7t s ILE 26 N 3.03 5.34 -1.51 0.00 1.09 -1.26 -4.26 121.20 123.62 1x7t s ILE 26 Ca 0.23 0.08 -0.06 0.00 -1.10 0.00 0.00 60.65 59.80 1x7t s ILE 26 Cb -0.15 -3.56 0.01 0.00 -1.06 0.00 0.00 42.46 37.70 1x7t s ILE 26 CO 0.18 0.35 0.78 0.59 -0.10 0.00 0.00 174.94 176.74 1x7t n ASN 27 N 1.05 -6.25 -4.65 3.58 5.03 -0.63 -4.94 115.26 108.45 1x7t n ASN 27 Ca -0.11 -0.36 -0.42 0.00 0.87 0.00 0.00 54.58 54.56 1x7t n ASN 27 Cb 0.53 -5.00 -0.04 0.00 -1.02 0.00 0.00 39.78 34.24 1x7t n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1x7t s VAL 28 N -3.23 4.82 0.38 2.41 1.01 -1.26 -4.76 120.40 119.77 1x7t s VAL 28 Ca 0.39 1.63 -0.26 0.00 0.00 0.00 0.00 61.98 63.74 1x7t s VAL 28 Cb -0.17 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1x7t s VAL 28 CO 0.48 -0.07 1.16 0.00 0.00 0.00 0.00 175.10 176.67 1x7t s ALA 29 N 2.77 3.21 -0.05 5.51 0.00 -1.26 -0.95 121.76 131.00 1x7t s ALA 29 Ca 0.36 0.96 -0.00 0.00 0.00 0.00 0.00 51.96 53.29 1x7t s ALA 29 Cb -0.15 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1x7t s ALA 29 CO 0.08 -0.47 0.00 0.08 0.00 0.00 0.00 175.76 175.46 1x7t s VAL 30 N -1.37 0.26 -0.09 0.00 1.01 0.78 -1.18 120.40 119.81 1x7t s VAL 30 Ca 0.55 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1x7t s VAL 30 Cb -0.31 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1x7t s VAL 30 CO 0.39 0.20 -0.17 -1.00 0.00 0.00 0.00 175.10 174.52 1x7t s HIS 31 N 1.45 2.68 -0.08 5.22 3.76 -0.42 -1.30 115.29 126.60 1x7t s HIS 31 Ca -0.03 -0.57 0.02 0.00 -0.15 0.00 0.00 55.06 54.33 1x7t s HIS 31 Cb -0.13 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1x7t s HIS 31 CO -0.03 -0.12 -0.15 0.08 -0.85 0.00 0.00 174.74 173.67 1x7t s VAL 32 N -0.05 2.98 0.22 -0.90 1.01 0.42 0.05 120.40 124.13 1x7t s VAL 32 Ca -0.04 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1x7t s VAL 32 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1x7t s VAL 32 CO 0.04 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.17 1x7t s PHE 33 N -0.26 1.93 -0.04 5.22 0.40 0.67 0.21 117.98 126.11 1x7t s PHE 33 Ca 0.01 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1x7t s PHE 33 Cb -0.13 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.51 1x7t s PHE 33 CO 0.03 0.46 -0.12 0.50 0.70 0.00 0.00 175.22 176.79 1x7t s ARG 34 N -3.36 1.31 0.13 0.44 3.52 -0.19 -0.50 118.95 120.31 1x7t s ARG 34 Ca 0.23 -0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.12 1x7t s ARG 34 Cb -0.03 -1.17 -0.09 0.00 -1.56 0.00 0.00 34.95 32.10 1x7t s ARG 34 CO 0.09 0.12 1.54 0.15 -0.81 0.00 0.00 175.30 176.39 1x7t s LYS 35 N 0.28 4.23 0.65 5.12 1.02 0.10 -0.91 119.74 130.24 1x7t s LYS 35 Ca -0.06 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1x7t s LYS 35 Cb -0.11 -3.26 0.09 0.00 -0.52 0.00 0.00 37.83 34.03 1x7t s LYS 35 CO 0.02 -0.59 0.90 0.00 -0.92 0.00 0.00 175.35 174.75 1x7t s ALA 36 N 1.42 3.81 0.52 5.17 0.00 0.89 -4.70 121.76 128.87 1x7t s ALA 36 Ca 0.69 -1.57 0.20 0.00 0.00 0.00 0.00 51.96 51.28 1x7t s ALA 36 Cb -0.41 -2.03 1.37 0.00 0.00 0.00 0.00 23.12 22.05 1x7t s ALA 36 CO 0.31 -1.15 2.14 0.00 0.00 0.00 0.00 175.76 177.06 1x7t h ALA 37 N -0.27 1.77 0.00 0.00 0.00 -1.95 1.56 119.26 120.38 1x7t h ALA 37 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1x7t h ALA 37 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1x7t h ALA 37 CO 0.45 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 1x7t n ASP 38 N -4.26 0.00 -0.52 0.00 5.68 -1.26 -4.89 116.55 111.30 1x7t n ASP 38 Ca -0.03 -0.07 -0.07 0.00 -0.50 0.00 0.00 54.79 54.12 1x7t n ASP 38 Cb 0.13 -0.24 -0.03 0.00 -1.14 0.00 0.00 41.12 39.84 1x7t n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1x7t n ASP 39 N -1.24 -3.73 -4.78 -1.12 5.68 0.53 -5.04 116.55 106.85 1x7t n ASP 39 Ca 0.10 0.15 -0.22 0.00 -0.50 0.00 0.00 54.79 54.32 1x7t n ASP 39 Cb 0.13 -1.88 -0.05 0.00 -1.14 0.00 0.00 41.12 38.19 1x7t n ASP 39 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1x7t s THR 40 N -2.25 3.28 -0.51 2.12 -4.23 -1.25 -4.82 115.64 107.98 1x7t s THR 40 Ca 0.00 -1.57 -0.23 0.00 -1.18 0.00 0.00 61.69 58.72 1x7t s THR 40 Cb 0.00 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.81 1x7t s THR 40 CO 0.00 -0.19 0.83 0.26 -0.54 0.00 0.00 174.62 174.98 1x7t s TRP 41 N -2.37 2.91 0.08 3.99 0.52 -1.26 -0.08 118.94 122.74 1x7t s TRP 41 Ca 0.39 -0.05 -0.18 0.00 0.02 0.00 0.00 56.10 56.27 1x7t s TRP 41 Cb -0.04 -3.83 -0.07 0.00 -1.15 0.00 0.00 33.47 28.38 1x7t s TRP 41 CO 0.24 -1.17 0.56 -1.83 0.02 0.00 0.00 176.95 174.77 1x7t s GLU 42 N 3.48 4.14 0.26 4.98 1.03 -0.09 -4.84 118.70 127.67 1x7t s GLU 42 Ca 0.27 0.68 -0.31 0.00 0.03 0.00 0.00 54.97 55.64 1x7t s GLU 42 Cb -0.14 -3.18 -0.12 0.00 -0.80 0.00 0.00 34.13 29.89 1x7t s GLU 42 CO 0.19 0.62 1.58 -2.30 -1.33 0.00 0.00 175.26 174.01 1x7t n PRO 43 N 1.57 2.53 -0.01 -4.83 -0.02 -1.26 -1.03 135.00 131.95 1x7t n PRO 43 Ca -0.10 0.90 -0.02 0.00 -2.02 0.00 0.00 63.50 62.27 1x7t n PRO 43 Cb 0.51 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 1x7t n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1x7t n PHE 44 N 2.52 0.00 -3.50 6.00 7.35 0.13 -4.79 117.46 125.17 1x7t n PHE 44 Ca 0.11 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.70 1x7t n PHE 44 Cb 0.35 -0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.08 1x7t n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x7t s ALA 45 N -2.04 -1.80 0.20 3.13 0.00 -0.42 -4.99 121.76 115.84 1x7t s ALA 45 Ca -0.03 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 1x7t s ALA 45 Cb 0.01 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 1x7t s ALA 45 CO 0.04 -0.63 0.40 -1.54 0.00 0.00 0.00 175.76 174.03 1x7t s SER 46 N -2.27 -0.07 0.00 0.00 1.04 -1.26 0.16 113.70 111.31 1x7t s SER 46 Ca 0.03 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1x7t s SER 46 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x7t s SER 46 CO -0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1x7t n GLY 47 N -0.30 -1.21 3.03 7.32 0.00 -0.42 -4.92 105.19 108.69 1x7t n GLY 47 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1x7t n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x7t s LYS 48 N -0.19 0.39 0.57 1.61 -2.85 -1.26 -0.15 119.74 117.86 1x7t s LYS 48 Ca 0.00 -0.59 -0.18 0.00 -1.00 0.00 0.00 55.97 54.20 1x7t s LYS 48 Cb 0.00 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.87 1x7t s LYS 48 CO 0.00 -0.08 1.09 0.95 0.10 0.00 0.00 175.35 177.41 1x7t s THR 49 N -1.63 3.48 0.00 3.79 -4.23 -0.12 -4.70 115.64 112.23 1x7t s THR 49 Ca -0.14 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1x7t s THR 49 Cb -0.08 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1x7t s THR 49 CO -0.01 -0.31 0.00 -1.54 -0.54 0.00 0.00 174.62 172.22 1x7t n SER 50 N -1.67 0.00 0.25 3.99 3.41 0.34 -1.61 113.62 118.33 1x7t n SER 50 Ca 0.10 -0.99 0.17 0.00 -0.26 0.00 0.00 58.87 57.89 1x7t n SER 50 Cb 0.52 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.28 1x7t n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1x7t h GLU 51 N 0.00 0.00 -0.20 4.33 4.39 -1.93 0.31 114.58 121.47 1x7t h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x7t h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1x7t h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 1x7t n SER 52 N -2.76 2.09 0.00 1.42 3.41 -1.26 -4.78 113.62 111.74 1x7t n SER 52 Ca -0.01 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1x7t n SER 52 Cb 0.16 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1x7t n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x7t n GLY 53 N 1.22 0.61 3.77 5.00 0.00 0.11 -4.78 105.19 111.12 1x7t n GLY 53 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1x7t n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x7t s GLU 54 N -0.03 2.79 -0.12 1.61 2.02 -1.26 -0.65 118.70 123.06 1x7t s GLU 54 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 1x7t s GLU 54 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 34.13 31.69 1x7t s GLU 54 CO 0.00 0.47 -0.01 -1.17 0.02 0.00 0.00 175.26 174.58 1x7t s LEU 55 N -3.09 0.98 0.39 1.80 2.96 0.10 -0.50 118.68 121.31 1x7t s LEU 55 Ca 0.30 -0.40 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1x7t s LEU 55 Cb -0.10 -0.61 -0.07 0.00 0.50 0.00 0.00 46.19 45.92 1x7t s LEU 55 CO 0.22 -0.21 0.03 -1.00 -1.32 0.00 0.00 176.35 174.07 1x7t s HIS 56 N 1.85 2.53 -0.77 5.38 3.76 -1.26 -1.95 115.29 124.83 1x7t s HIS 56 Ca 0.03 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1x7t s HIS 56 Cb -0.14 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1x7t s HIS 56 CO -0.07 0.42 0.00 0.41 -0.85 0.00 0.00 174.74 174.65 1x7t n GLY 57 N -1.00 0.90 0.29 -2.22 0.00 -1.26 -4.91 105.19 96.98 1x7t n GLY 57 Ca -0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 1x7t n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x7t h LEU 58 N 0.00 0.89 0.00 0.99 3.38 -1.88 -3.47 115.31 115.22 1x7t h LEU 58 Ca -0.15 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1x7t h LEU 58 Cb 0.51 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1x7t h LEU 58 CO 0.22 0.79 -0.04 1.07 0.09 0.00 0.00 178.44 180.57 1x7t n THR 59 N -4.44 0.00 -4.40 0.22 5.66 -1.26 -4.76 114.28 105.30 1x7t n THR 59 Ca 0.05 -1.04 -0.23 0.00 -3.05 0.00 0.00 64.05 59.78 1x7t n THR 59 Cb 0.15 0.69 -0.11 0.00 -1.55 0.00 0.00 70.33 69.51 1x7t n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1x7t s THR 60 N -2.63 2.12 0.36 1.09 -4.23 -1.26 -4.58 115.64 106.51 1x7t s THR 60 Ca 0.17 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1x7t s THR 60 Cb -0.01 -2.09 0.28 0.00 1.34 0.00 0.00 72.50 72.02 1x7t s THR 60 CO 0.12 -0.36 1.99 -0.33 -0.54 0.00 0.00 174.62 175.50 1x7t h GLU 61 N 2.78 0.75 -0.37 3.99 5.08 -1.92 -0.75 114.58 124.13 1x7t h GLU 61 Ca -0.41 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1x7t h GLU 61 Cb 1.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1x7t h GLU 61 CO 0.56 0.49 0.01 1.49 -1.00 0.00 0.00 179.01 180.57 1x7t h GLU 62 N 0.77 0.64 0.00 2.33 4.81 -1.98 -3.14 114.58 118.00 1x7t h GLU 62 Ca 0.27 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1x7t h GLU 62 Cb 0.10 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1x7t h GLU 62 CO -0.08 0.74 -0.11 0.93 -0.73 0.00 0.00 179.01 179.76 1x7t h GLU 63 N 0.46 0.00 -3.99 1.92 3.07 -1.83 -3.38 114.58 110.84 1x7t h GLU 63 Ca 0.11 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.24 1x7t h GLU 63 Cb 0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.27 1x7t h GLU 63 CO 0.02 0.11 2.72 0.34 -1.40 0.00 0.00 179.01 180.79 1x7t n PHE 64 N -3.13 3.47 -1.95 4.33 7.35 -0.34 -4.95 117.46 122.24 1x7t n PHE 64 Ca 0.03 -2.92 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 1x7t n PHE 64 Cb 0.56 -2.38 0.20 0.00 0.35 0.00 0.00 39.48 38.21 1x7t n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x7t s VAL 65 N 2.40 2.00 0.63 -2.13 -7.23 -1.26 -4.94 120.40 109.87 1x7t s VAL 65 Ca 0.45 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.43 1x7t s VAL 65 Cb 0.12 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1x7t s VAL 65 CO -0.05 0.00 1.14 1.21 -0.31 0.00 0.00 175.10 177.09 1x7t n GLU 66 N -3.82 0.99 -3.86 4.82 0.00 -1.26 -4.78 120.64 112.74 1x7t n GLU 66 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 57.16 57.71 1x7t n GLU 66 Cb 0.59 -2.36 0.00 0.00 0.00 0.00 0.00 31.44 29.67 1x7t n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x7t n GLY 67 N 1.10 -2.39 3.61 8.31 0.00 -0.89 -4.99 105.19 109.94 1x7t n GLY 67 Ca 0.15 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1x7t n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7t s ILE 68 N -2.23 5.08 0.09 -0.61 1.01 -1.26 -0.35 121.20 122.92 1x7t s ILE 68 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1x7t s ILE 68 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1x7t s ILE 68 CO 0.00 0.35 -0.12 -0.31 0.00 0.00 0.00 174.94 174.86 1x7t s TYR 69 N 1.10 2.70 -0.16 3.97 1.51 0.38 -0.72 117.35 126.13 1x7t s TYR 69 Ca 0.06 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 1x7t s TYR 69 Cb -0.14 -1.44 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1x7t s TYR 69 CO 0.04 0.39 -0.13 0.21 -1.11 0.00 0.00 175.55 174.96 1x7t s LYS 70 N -2.01 2.18 -0.41 -0.62 2.20 0.34 -1.36 119.74 120.06 1x7t s LYS 70 Ca 0.19 -0.59 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 1x7t s LYS 70 Cb -0.11 -2.13 0.02 0.00 -1.51 0.00 0.00 37.83 34.10 1x7t s LYS 70 CO 0.11 -0.28 0.31 0.08 -0.36 0.00 0.00 175.35 175.22 1x7t s VAL 71 N 1.49 5.24 -0.26 4.02 1.01 0.58 -0.24 120.40 132.25 1x7t s VAL 71 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1x7t s VAL 71 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1x7t s VAL 71 CO -0.10 -0.31 0.15 -0.70 0.00 0.00 0.00 175.10 174.14 1x7t s GLU 72 N 1.72 3.91 -0.25 2.72 2.12 0.11 -0.95 118.70 128.09 1x7t s GLU 72 Ca 0.06 -0.35 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 1x7t s GLU 72 Cb -0.19 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1x7t s GLU 72 CO 0.10 -0.10 0.12 0.42 -0.54 0.00 0.00 175.26 175.27 1x7t s ILE 73 N 1.47 4.90 -1.27 -3.70 1.01 0.19 -1.30 121.20 122.50 1x7t s ILE 73 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.60 1x7t s ILE 73 Cb -0.15 -3.29 0.13 0.00 0.01 0.00 0.00 42.46 39.16 1x7t s ILE 73 CO 0.07 0.33 1.65 0.47 0.00 0.00 0.00 174.94 177.46 1x7t n ASP 74 N 4.61 5.02 0.05 3.58 8.00 -0.32 -1.22 116.55 136.26 1x7t n ASP 74 Ca -0.15 -2.97 -0.13 0.00 0.71 0.00 0.00 54.79 52.25 1x7t n ASP 74 Cb 0.52 -1.62 -0.03 0.00 -0.02 0.00 0.00 41.12 39.97 1x7t n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x7t h THR 75 N 4.76 1.37 -0.41 -3.53 1.35 -1.88 -2.38 112.91 112.18 1x7t h THR 75 Ca 0.39 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1x7t h THR 75 Cb 0.82 2.26 -0.02 0.00 -1.73 0.00 0.00 68.15 69.48 1x7t h THR 75 CO 1.41 0.69 0.27 0.50 -0.25 0.00 0.00 175.52 178.13 1x7t h LYS 76 N 0.30 0.54 -0.51 4.72 3.64 -1.63 0.10 116.57 123.73 1x7t h LYS 76 Ca -0.07 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1x7t h LYS 76 Cb 1.48 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1x7t h LYS 76 CO 0.15 0.37 0.19 0.77 -2.27 0.00 0.00 179.45 178.66 1x7t h SER 77 N 0.55 0.67 0.14 4.20 0.02 -1.78 0.17 113.55 117.52 1x7t h SER 77 Ca 0.15 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1x7t h SER 77 Cb -0.05 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1x7t h SER 77 CO -0.03 0.62 -0.07 0.22 -1.14 0.00 0.00 176.83 176.43 1x7t h TYR 78 N 0.73 -0.18 -0.49 3.45 3.20 -0.74 0.06 116.97 123.01 1x7t h TYR 78 Ca 0.17 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.93 1x7t h TYR 78 Cb 0.17 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1x7t h TYR 78 CO 0.01 -0.08 -0.12 -1.49 -1.64 0.00 0.00 178.16 174.85 1x7t h TRP 79 N -0.23 1.06 0.65 -3.82 4.06 -0.38 -2.60 115.95 114.69 1x7t h TRP 79 Ca -0.02 -0.23 -0.03 0.00 2.06 0.00 0.00 58.89 60.67 1x7t h TRP 79 Cb 0.18 -0.26 0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1x7t h TRP 79 CO -0.06 1.02 -0.31 0.87 -3.56 0.00 0.00 178.44 176.40 1x7t h LYS 80 N 0.80 -0.83 -0.75 0.49 6.56 -0.38 -0.50 116.57 121.96 1x7t h LYS 80 Ca 0.12 0.06 0.22 0.00 -1.06 0.00 0.00 60.65 59.99 1x7t h LYS 80 Cb 0.67 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.49 1x7t h LYS 80 CO 0.05 -0.54 0.86 0.00 -2.06 0.00 0.00 179.45 177.76 1x7t h ALA 81 N -0.59 2.58 0.00 3.86 0.00 -0.93 -3.11 119.26 121.06 1x7t h ALA 81 Ca -0.09 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1x7t h ALA 81 Cb 0.68 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1x7t h ALA 81 CO 0.15 -1.25 -1.34 1.28 0.00 0.00 0.00 179.25 178.08 1x7t n LEU 82 N -3.45 1.87 0.00 0.00 4.77 -0.55 -5.09 117.00 114.55 1x7t n LEU 82 Ca 0.16 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1x7t n LEU 82 Cb 1.11 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1x7t n LEU 82 CO 0.25 0.16 0.00 2.30 -1.33 0.00 0.00 177.39 178.78 1x7t n ILE 84 N -4.44 0.00 -3.59 -0.08 -5.35 -0.31 -5.04 119.36 100.56 1x7t n ILE 84 Ca -0.31 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.77 1x7t n ILE 84 Cb 0.63 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.44 1x7t n ILE 84 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1x7t s SER 85 N 0.00 5.68 0.60 7.28 0.01 -1.26 -2.52 113.70 123.49 1x7t s SER 85 Ca 0.00 -1.49 0.01 0.00 1.31 0.00 0.00 55.95 55.77 1x7t s SER 85 Cb 0.00 -2.00 0.06 0.00 0.21 0.00 0.00 66.02 64.28 1x7t s SER 85 CO 0.00 -0.55 0.84 -2.16 0.41 0.00 0.00 173.24 171.78 1x7t s PRO 86 N 1.44 2.31 -0.10 12.44 0.04 -1.26 -4.99 135.00 144.88 1x7t s PRO 86 Ca 0.03 -0.86 -0.18 0.00 0.04 0.00 0.00 61.00 60.03 1x7t s PRO 86 Cb -0.23 -2.44 -0.15 0.00 0.04 0.00 0.00 34.50 31.72 1x7t s PRO 86 CO 0.02 -0.92 0.56 0.35 0.04 0.00 0.00 177.00 177.05 1x7t h PHE 87 N -0.10 -0.05 -4.04 0.56 3.57 -1.31 -3.47 116.94 112.09 1x7t h PHE 87 Ca -0.40 -0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.62 1x7t h PHE 87 Cb 1.29 0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.06 1x7t h PHE 87 CO 0.24 0.48 0.30 -1.01 -2.23 0.00 0.00 178.31 176.08 1x7t s HIS 88 N -2.34 3.44 0.06 0.41 3.76 -1.26 -4.97 115.29 114.38 1x7t s HIS 88 Ca -0.11 1.37 -0.17 0.00 -0.15 0.00 0.00 55.06 56.00 1x7t s HIS 88 Cb -0.01 -2.70 -0.16 0.00 1.11 0.00 0.00 32.58 30.82 1x7t s HIS 88 CO 0.41 -0.26 1.27 0.93 -0.85 0.00 0.00 174.74 176.25 1x7t h GLU 89 N 1.15 0.58 -2.38 1.40 4.39 -1.98 -3.33 114.58 114.41 1x7t h GLU 89 Ca -0.47 -0.43 0.17 0.00 0.34 0.00 0.00 59.36 58.97 1x7t h GLU 89 Cb 1.18 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.84 1x7t h GLU 89 CO 0.62 1.05 0.51 -3.38 -1.16 0.00 0.00 179.01 176.66 1x7t s HIS 90 N -3.83 -0.07 -0.17 4.33 -3.43 -1.26 -2.74 115.29 108.13 1x7t s HIS 90 Ca -0.12 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 53.82 1x7t s HIS 90 Cb 0.06 0.66 -0.02 0.00 -1.43 0.00 0.00 32.58 31.85 1x7t s HIS 90 CO 0.83 -0.87 -0.03 0.00 -2.00 0.00 0.00 174.74 172.68 1x7t s ALA 91 N -2.94 2.98 -0.21 -1.38 0.00 -0.36 -4.88 121.76 114.98 1x7t s ALA 91 Ca 0.15 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1x7t s ALA 91 Cb -0.02 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.51 1x7t s ALA 91 CO 0.03 0.07 -0.16 -1.21 0.00 0.00 0.00 175.76 174.49 1x7t s GLU 92 N 0.62 2.87 -0.31 0.00 2.02 -1.26 0.53 118.70 123.17 1x7t s GLU 92 Ca -0.02 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 53.99 1x7t s GLU 92 Cb -0.14 -2.71 0.03 0.00 0.10 0.00 0.00 34.13 31.41 1x7t s GLU 92 CO 0.02 -0.30 0.07 0.08 0.02 0.00 0.00 175.26 175.16 1x7t s VAL 93 N 1.27 3.70 -0.12 2.63 1.01 -0.13 -4.96 120.40 123.81 1x7t s VAL 93 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1x7t s VAL 93 Cb -0.15 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1x7t s VAL 93 CO -0.10 -0.06 -0.21 -0.69 0.00 0.00 0.00 175.10 174.04 1x7t s VAL 94 N 1.42 2.24 -0.03 2.92 1.01 -1.26 -0.31 120.40 126.39 1x7t s VAL 94 Ca -0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1x7t s VAL 94 Cb -0.19 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1x7t s VAL 94 CO 0.02 0.55 0.57 0.72 0.00 0.00 0.00 175.10 176.95 1x7t s PHE 95 N 0.52 -0.51 0.14 5.22 -0.71 -0.47 -4.99 117.98 117.18 1x7t s PHE 95 Ca -0.13 0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 56.28 1x7t s PHE 95 Cb -0.17 0.33 -0.07 0.00 -1.21 0.00 0.00 43.02 41.90 1x7t s PHE 95 CO 0.05 -0.57 1.02 0.99 -1.34 0.00 0.00 175.22 175.37 1x7t s THR 96 N -1.43 4.24 0.08 -4.49 2.01 -1.26 -0.47 115.64 114.31 1x7t s THR 96 Ca -0.11 1.89 0.09 0.00 0.31 0.00 0.00 61.69 63.86 1x7t s THR 96 Cb -0.01 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1x7t s THR 96 CO 0.07 0.30 -0.23 0.00 -0.69 0.00 0.00 174.62 174.07 1x7t s ALA 97 N -0.10 1.94 -1.58 7.40 0.00 0.53 -4.81 121.76 125.14 1x7t s ALA 97 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1x7t s ALA 97 Cb -0.26 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1x7t s ALA 97 CO 0.32 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.59 1x7t n ASN 98 N 1.38 -5.18 -0.00 0.00 3.02 -1.26 -2.10 115.26 111.12 1x7t n ASN 98 Ca -0.18 0.06 0.13 0.00 -0.03 0.00 0.00 54.58 54.56 1x7t n ASN 98 Cb 0.53 -4.25 0.46 0.00 -0.61 0.00 0.00 39.78 35.91 1x7t n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1x7t n ASP 99 N -1.30 0.22 -0.67 6.41 2.03 -1.26 -2.78 116.55 119.21 1x7t n ASP 99 Ca -0.21 0.16 0.04 0.00 0.52 0.00 0.00 54.79 55.31 1x7t n ASP 99 Cb 0.65 -0.17 0.20 0.00 -0.72 0.00 0.00 41.12 41.07 1x7t n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x7t n SER 100 N -1.50 2.28 0.00 1.67 7.64 -1.26 -5.08 113.62 117.37 1x7t n SER 100 Ca 0.06 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1x7t n SER 100 Cb 0.34 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1x7t n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x7t n GLY 101 N -1.13 1.64 3.76 0.23 0.00 -1.12 -5.02 105.19 103.55 1x7t n GLY 101 Ca 0.22 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1x7t n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x7t s PRO 102 N -2.01 4.26 0.17 1.61 0.04 -1.26 -4.25 135.00 133.56 1x7t s PRO 102 Ca 0.00 2.34 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1x7t s PRO 102 Cb 0.00 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1x7t s PRO 102 CO 0.00 -0.36 0.11 1.03 0.04 0.00 0.00 177.00 177.82 1x7t s ARG 103 N -1.33 1.10 -0.07 4.56 1.81 -1.26 -4.72 118.95 119.04 1x7t s ARG 103 Ca 0.54 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 1x7t s ARG 103 Cb -0.42 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.31 1x7t s ARG 103 CO 0.52 -0.34 -0.06 -1.01 -0.68 0.00 0.00 175.30 173.72 1x7t s HIS 104 N -4.11 2.96 -0.08 -0.53 3.76 -0.08 -4.88 115.29 112.33 1x7t s HIS 104 Ca 0.33 0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.29 1x7t s HIS 104 Cb 0.07 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 32.04 1x7t s HIS 104 CO 0.08 0.33 -0.16 0.71 -0.85 0.00 0.00 174.74 174.85 1x7t s TYR 105 N -0.77 1.79 -0.18 1.40 2.02 0.01 -1.36 117.35 120.26 1x7t s TYR 105 Ca 0.12 -0.70 -0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1x7t s TYR 105 Cb -0.11 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1x7t s TYR 105 CO 0.02 -0.33 -0.09 0.99 -1.57 0.00 0.00 175.55 174.56 1x7t s THR 106 N 0.61 3.11 -0.38 -0.71 2.01 -0.22 -0.72 115.64 119.33 1x7t s THR 106 Ca -0.15 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 1x7t s THR 106 Cb -0.16 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1x7t s THR 106 CO 0.05 0.48 0.26 -0.63 -0.69 0.00 0.00 174.62 174.08 1x7t s ILE 107 N 1.00 5.04 -0.04 1.82 -1.09 0.10 -1.02 121.20 127.02 1x7t s ILE 107 Ca -0.01 -0.63 -0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1x7t s ILE 107 Cb -0.15 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 1x7t s ILE 107 CO -0.01 -0.22 0.13 0.00 -1.23 0.00 0.00 174.94 173.60 1x7t s ALA 108 N 1.65 3.78 -0.00 9.38 0.00 0.16 -0.80 121.76 135.92 1x7t s ALA 108 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1x7t s ALA 108 Cb -0.19 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1x7t s ALA 108 CO 0.09 0.69 0.01 0.00 0.00 0.00 0.00 175.76 176.55 1x7t s ALA 109 N -1.18 -0.01 -0.18 0.00 0.00 -0.08 -1.23 121.76 119.08 1x7t s ALA 109 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.22 1x7t s ALA 109 Cb -0.12 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1x7t s ALA 109 CO 0.12 -0.01 -0.17 -1.17 0.00 0.00 0.00 175.76 174.53 1x7t s LEU 110 N 0.08 2.30 -0.12 0.00 2.96 0.02 -1.59 118.68 122.34 1x7t s LEU 110 Ca -0.01 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 1x7t s LEU 110 Cb -0.01 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1x7t s LEU 110 CO -0.00 0.01 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.22 1x7t s LEU 111 N 1.26 3.16 0.12 -0.68 1.43 -0.28 -1.34 118.68 122.34 1x7t s LEU 111 Ca 0.04 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1x7t s LEU 111 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1x7t s LEU 111 CO -0.09 0.25 -0.12 -0.44 0.23 0.00 0.00 176.35 176.17 1x7t s SER 112 N -0.13 1.82 0.38 2.29 0.01 0.75 -1.12 113.70 117.69 1x7t s SER 112 Ca 0.02 -0.83 0.11 0.00 1.31 0.00 0.00 55.95 56.56 1x7t s SER 112 Cb -0.13 -0.04 0.89 0.00 0.21 0.00 0.00 66.02 66.95 1x7t s SER 112 CO 0.03 -0.20 1.88 -0.65 0.41 0.00 0.00 173.24 174.71 1x7t h PRO 113 N 3.47 0.59 -0.19 12.44 0.11 -1.99 -2.54 132.00 143.89 1x7t h PRO 113 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1x7t h PRO 113 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1x7t h PRO 113 CO 0.52 0.39 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 1x7t n TYR 114 N -4.54 0.67 -3.57 0.65 4.02 -1.26 -0.77 117.16 112.35 1x7t n TYR 114 Ca 0.17 -0.91 -0.15 0.00 -0.01 0.00 0.00 57.90 57.00 1x7t n TYR 114 Cb 0.51 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.50 1x7t n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x7t s SER 115 N -2.19 -0.62 0.09 7.72 0.15 -0.96 -4.95 113.70 112.93 1x7t s SER 115 Ca 0.39 0.90 -0.08 0.00 0.70 0.00 0.00 55.95 57.87 1x7t s SER 115 Cb 0.32 0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 65.44 1x7t s SER 115 CO 0.07 -0.41 0.16 -0.72 1.20 0.00 0.00 173.24 173.54 1x7t s TYR 116 N -0.56 0.21 0.18 3.44 -0.85 -1.26 -0.18 117.35 118.33 1x7t s TYR 116 Ca -0.05 -0.65 0.07 0.00 -0.52 0.00 0.00 57.07 55.91 1x7t s TYR 116 Cb -0.02 -0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 1x7t s TYR 116 CO 0.04 -0.53 -0.14 -1.54 -1.52 0.00 0.00 175.55 171.87 1x7t s SER 117 N -2.87 2.34 -0.04 -0.18 1.04 -0.45 -4.96 113.70 108.57 1x7t s SER 117 Ca 0.06 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.44 1x7t s SER 117 Cb 0.05 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1x7t s SER 117 CO -0.11 -0.20 0.15 0.28 0.98 0.00 0.00 173.24 174.34 1x7t s THR 118 N -2.94 0.02 0.02 2.02 -1.32 -1.26 -0.80 115.64 111.39 1x7t s THR 118 Ca 0.20 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 1x7t s THR 118 Cb -0.01 -0.27 -0.02 0.00 -1.51 0.00 0.00 72.50 70.70 1x7t s THR 118 CO 0.05 -0.09 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.41 1x7t s THR 119 N -0.26 0.52 -0.13 5.08 2.01 -0.36 -4.99 115.64 117.51 1x7t s THR 119 Ca -0.03 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 1x7t s THR 119 Cb -0.03 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1x7t s THR 119 CO 0.00 -0.14 -0.03 0.00 -0.69 0.00 0.00 174.62 173.76 1x7t s ALA 120 N -0.81 3.06 -0.24 7.40 0.00 -1.26 -0.67 121.76 129.25 1x7t s ALA 120 Ca -0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1x7t s ALA 120 Cb -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.58 1x7t s ALA 120 CO 0.00 0.35 -0.07 0.08 0.00 0.00 0.00 175.76 176.12 1x7t s VAL 121 N -0.07 2.91 -0.20 0.00 1.01 -0.19 -4.98 120.40 118.88 1x7t s VAL 121 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1x7t s VAL 121 Cb -0.13 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1x7t s VAL 121 CO 0.02 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1x7t s VAL 122 N 1.35 2.89 0.30 2.92 1.01 -1.26 -1.06 120.40 126.55 1x7t s VAL 122 Ca 0.02 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1x7t s VAL 122 Cb -0.16 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 1x7t s VAL 122 CO -0.05 0.47 -0.10 0.42 0.00 0.00 0.00 175.10 175.84 1x7t s THR 123 N 1.31 1.99 -0.41 3.92 -4.23 -0.47 -4.98 115.64 112.78 1x7t s THR 123 Ca 0.04 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1x7t s THR 123 Cb -0.14 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1x7t s THR 123 CO -0.06 -0.31 0.15 0.21 -0.54 0.00 0.00 174.62 174.08 1x7t s ASN 124 N -3.50 4.36 0.00 3.99 3.04 -1.26 -0.90 114.94 120.66 1x7t s ASN 124 Ca 0.30 -2.43 0.00 0.00 0.04 0.00 0.00 52.86 50.77 1x7t s ASN 124 Cb 0.02 -1.44 0.00 0.00 -1.54 0.00 0.00 41.25 38.29 1x7t s ASN 124 CO 0.14 -0.32 0.44 -2.65 -3.04 0.00 0.00 177.10 171.67