#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7s n PRO 11 N 0.00 0.60 -3.72 0.00 -0.04 -1.26 -4.75 135.00 125.83 1x7s n PRO 11 Ca 0.00 -0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1x7s n PRO 11 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 1x7s n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x7s s LEU 12 N -2.51 0.48 0.00 1.53 2.96 -1.26 -0.58 118.68 119.31 1x7s s LEU 12 Ca 0.28 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1x7s s LEU 12 Cb 0.20 0.34 -0.01 0.00 0.50 0.00 0.00 46.19 47.23 1x7s s LEU 12 CO 0.48 -0.18 0.00 -0.32 -1.32 0.00 0.00 176.35 175.01 1x7s s MET 13 N 1.51 0.11 -0.06 1.98 -2.45 -0.31 -4.50 119.30 115.57 1x7s s MET 13 Ca -0.06 -0.18 0.05 0.00 -1.25 0.00 0.00 55.69 54.26 1x7s s MET 13 Cb -0.12 0.04 -0.01 0.00 1.25 0.00 0.00 34.83 35.99 1x7s s MET 13 CO -0.06 -0.02 -0.23 0.08 1.05 0.00 0.00 175.02 175.84 1x7s s VAL 14 N -0.45 2.20 -0.05 10.11 1.01 -0.85 -0.90 120.40 131.46 1x7s s VAL 14 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1x7s s VAL 14 Cb -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1x7s s VAL 14 CO -0.00 0.57 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 1x7s s LYS 15 N -0.15 1.80 -0.07 2.72 2.20 0.06 -0.31 119.74 125.99 1x7s s LYS 15 Ca -0.04 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1x7s s LYS 15 Cb -0.14 -1.51 0.01 0.00 -1.51 0.00 0.00 37.83 34.69 1x7s s LYS 15 CO 0.04 0.15 -0.12 0.08 -0.36 0.00 0.00 175.35 175.14 1x7s s VAL 16 N 0.30 1.12 0.19 4.02 1.01 0.47 -0.98 120.40 126.53 1x7s s VAL 16 Ca -0.09 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1x7s s VAL 16 Cb -0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1x7s s VAL 16 CO 0.03 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.50 1x7s s LEU 17 N 0.71 2.50 -0.35 3.92 1.43 -0.21 -1.01 118.68 125.66 1x7s s LEU 17 Ca -0.14 -0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 1x7s s LEU 17 Cb -0.16 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.83 1x7s s LEU 17 CO 0.03 0.12 0.20 -0.62 0.23 0.00 0.00 176.35 176.31 1x7s s ASP 18 N -2.64 5.72 0.00 2.29 -1.08 0.52 -1.16 116.67 120.32 1x7s s ASP 18 Ca 0.21 -0.79 0.30 0.00 -0.52 0.00 0.00 52.55 51.75 1x7s s ASP 18 Cb -0.08 -2.04 1.44 0.00 -1.46 0.00 0.00 42.92 40.78 1x7s s ASP 18 CO 0.10 -0.31 2.01 0.00 0.52 0.00 0.00 175.17 177.48 1x7s n ALA 19 N 5.01 2.54 -0.01 3.66 0.00 -0.15 -1.00 120.51 130.56 1x7s n ALA 19 Ca -0.12 -0.16 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 1x7s n ALA 19 Cb 0.47 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 1x7s n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x7s h VAL 20 N 0.09 1.17 0.00 0.00 2.07 -1.94 -3.39 116.25 114.26 1x7s h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1x7s h VAL 20 Cb 0.31 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1x7s h VAL 20 CO 0.00 0.65 -1.42 0.54 0.02 0.00 0.00 177.57 177.36 1x7s n ARG 21 N -4.09 0.33 -2.60 1.57 3.00 -1.24 -5.01 116.66 108.63 1x7s n ARG 21 Ca -0.22 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.85 57.45 1x7s n ARG 21 Cb 0.82 -1.53 0.04 0.00 0.00 0.00 0.00 32.46 31.79 1x7s n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x7s n GLY 22 N 1.38 -0.02 3.37 -0.13 0.00 -0.17 -5.04 105.19 104.57 1x7s n GLY 22 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1x7s n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x7s s SER 23 N -3.52 -0.23 0.56 1.61 1.04 -1.06 -5.00 113.70 107.10 1x7s s SER 23 Ca 0.08 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 1x7s s SER 23 Cb -0.01 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1x7s s SER 23 CO 0.37 -0.90 1.24 -2.16 0.98 0.00 0.00 173.24 172.76 1x7s s PRO 24 N -3.83 3.12 -0.40 4.02 0.04 -1.26 -0.35 135.00 136.34 1x7s s PRO 24 Ca 0.05 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1x7s s PRO 24 Cb 0.01 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1x7s s PRO 24 CO -0.09 -1.11 0.61 0.00 0.04 0.00 0.00 177.00 176.45 1x7s s ALA 25 N -1.50 3.40 -0.02 8.56 0.00 -0.18 -4.64 121.76 127.38 1x7s s ALA 25 Ca 0.74 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 1x7s s ALA 25 Cb -0.33 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 1x7s s ALA 25 CO 0.37 -1.57 0.24 0.42 0.00 0.00 0.00 175.76 175.22 1x7s s ILE 26 N 2.69 5.34 -1.38 0.00 1.01 -1.26 -4.29 121.20 123.31 1x7s s ILE 26 Ca 0.22 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1x7s s ILE 26 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.78 1x7s s ILE 26 CO 0.17 0.42 0.00 0.59 0.00 0.00 0.00 174.94 176.11 1x7s n ASN 27 N 1.29 -4.54 -4.70 3.58 4.13 -0.42 -4.94 115.26 109.66 1x7s n ASN 27 Ca -0.13 0.23 -0.42 0.00 1.68 0.00 0.00 54.58 55.94 1x7s n ASN 27 Cb 0.53 -3.40 -0.03 0.00 -1.54 0.00 0.00 39.78 35.34 1x7s n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x7s s VAL 28 N -2.57 4.86 0.21 2.41 1.01 -1.26 -4.71 120.40 120.36 1x7s s VAL 28 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 1x7s s VAL 28 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 1x7s s VAL 28 CO 0.00 0.10 1.02 0.00 0.00 0.00 0.00 175.10 176.22 1x7s s ALA 29 N 1.50 3.35 -0.07 5.51 0.00 -1.26 -1.04 121.76 129.75 1x7s s ALA 29 Ca 0.47 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1x7s s ALA 29 Cb -0.19 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1x7s s ALA 29 CO 0.21 -0.03 -0.11 0.08 0.00 0.00 0.00 175.76 175.91 1x7s s VAL 30 N -0.76 1.08 -0.09 0.00 1.01 0.58 -0.74 120.40 121.49 1x7s s VAL 30 Ca 0.45 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1x7s s VAL 30 Cb -0.28 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 1x7s s VAL 30 CO 0.35 0.35 -0.24 -1.00 0.00 0.00 0.00 175.10 174.55 1x7s s HIS 31 N 0.83 2.53 -0.09 5.22 3.76 0.13 -0.86 115.29 126.81 1x7s s HIS 31 Ca -0.11 -0.96 0.03 0.00 -0.15 0.00 0.00 55.06 53.86 1x7s s HIS 31 Cb -0.15 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1x7s s HIS 31 CO 0.02 -0.37 -0.17 0.08 -0.85 0.00 0.00 174.74 173.46 1x7s s VAL 32 N 0.20 2.78 0.19 -0.90 1.01 0.20 -0.28 120.40 123.60 1x7s s VAL 32 Ca -0.15 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1x7s s VAL 32 Cb -0.17 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1x7s s VAL 32 CO 0.08 0.56 -0.18 -0.36 0.00 0.00 0.00 175.10 175.20 1x7s s PHE 33 N -0.08 1.84 -0.05 5.22 0.40 0.17 -0.30 117.98 125.20 1x7s s PHE 33 Ca -0.03 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1x7s s PHE 33 Cb -0.14 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.50 1x7s s PHE 33 CO 0.04 0.38 -0.16 0.50 0.70 0.00 0.00 175.22 176.68 1x7s s ARG 34 N -3.08 1.71 0.09 0.44 3.52 0.60 -0.79 118.95 121.43 1x7s s ARG 34 Ca 0.19 -0.55 -0.31 0.00 -0.13 0.00 0.00 55.73 54.93 1x7s s ARG 34 Cb -0.04 -1.47 -0.08 0.00 -1.56 0.00 0.00 34.95 31.80 1x7s s ARG 34 CO 0.07 0.20 1.44 0.21 -0.81 0.00 0.00 175.30 176.41 1x7s s LYS 35 N 0.15 4.29 0.57 5.12 2.47 0.10 -0.87 119.74 131.58 1x7s s LYS 35 Ca -0.06 2.10 -0.00 0.00 -1.56 0.00 0.00 55.97 56.45 1x7s s LYS 35 Cb -0.12 -3.35 0.04 0.00 -1.46 0.00 0.00 37.83 32.94 1x7s s LYS 35 CO 0.02 -0.51 0.82 0.00 0.16 0.00 0.00 175.35 175.84 1x7s s ALA 36 N 1.54 3.73 0.49 3.13 0.00 0.11 -4.73 121.76 126.03 1x7s s ALA 36 Ca 0.66 -1.22 0.16 0.00 0.00 0.00 0.00 51.96 51.57 1x7s s ALA 36 Cb -0.37 -2.19 1.19 0.00 0.00 0.00 0.00 23.12 21.75 1x7s s ALA 36 CO 0.30 -0.83 2.09 0.00 0.00 0.00 0.00 175.76 177.31 1x7s h ALA 37 N -0.04 1.82 -0.34 0.00 0.00 -1.95 -0.07 119.26 118.69 1x7s h ALA 37 Ca -0.43 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 1x7s h ALA 37 Cb 1.30 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1x7s h ALA 37 CO 0.54 0.10 0.18 -0.40 0.00 0.00 0.00 179.25 179.67 1x7s n ASP 38 N -4.38 3.15 -0.86 0.00 5.75 -1.26 -4.88 116.55 114.08 1x7s n ASP 38 Ca -0.03 -2.54 -0.11 0.00 -0.01 0.00 0.00 54.79 52.10 1x7s n ASP 38 Cb 0.16 -0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 39.59 1x7s n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x7s n ASP 39 N -0.02 -5.25 -4.80 -1.12 8.00 -0.04 -4.98 116.55 108.35 1x7s n ASP 39 Ca 0.19 0.28 -0.29 0.00 0.71 0.00 0.00 54.79 55.68 1x7s n ASP 39 Cb 0.85 -3.74 -0.06 0.00 -0.02 0.00 0.00 41.12 38.16 1x7s n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1x7s s THR 40 N -2.12 4.57 -0.40 -3.53 -4.23 -1.26 -4.81 115.64 103.87 1x7s s THR 40 Ca 0.00 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.35 1x7s s THR 40 Cb 0.00 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1x7s s THR 40 CO 0.00 0.03 1.22 0.26 -0.54 0.00 0.00 174.62 175.59 1x7s s TRP 41 N -1.54 2.76 -0.03 3.99 0.52 -1.26 0.08 118.94 123.46 1x7s s TRP 41 Ca 0.30 0.82 -0.13 0.00 0.02 0.00 0.00 56.10 57.11 1x7s s TRP 41 Cb -0.11 -4.18 -0.05 0.00 -1.15 0.00 0.00 33.47 27.98 1x7s s TRP 41 CO 0.23 -1.41 0.36 -1.83 0.02 0.00 0.00 176.95 174.31 1x7s s GLU 42 N 4.36 3.87 0.18 4.98 1.03 -0.05 -4.88 118.70 128.20 1x7s s GLU 42 Ca 0.52 0.30 -0.33 0.00 0.03 0.00 0.00 54.97 55.49 1x7s s GLU 42 Cb -0.11 -3.23 -0.13 0.00 -0.80 0.00 0.00 34.13 29.85 1x7s s GLU 42 CO 0.27 0.66 1.57 -2.30 -1.33 0.00 0.00 175.26 174.13 1x7s n PRO 43 N 2.01 2.23 -0.02 -4.83 -0.02 -1.26 -0.29 135.00 132.81 1x7s n PRO 43 Ca -0.15 0.80 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 1x7s n PRO 43 Cb 0.53 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1x7s n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1x7s n PHE 44 N 3.18 0.00 -3.57 6.00 7.35 0.59 -4.75 117.46 126.25 1x7s n PHE 44 Ca 0.16 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.79 1x7s n PHE 44 Cb 0.30 -0.14 -0.02 0.00 0.35 0.00 0.00 39.48 39.97 1x7s n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x7s s ALA 45 N -2.07 -2.01 0.20 3.13 0.00 -0.89 -5.00 121.76 115.12 1x7s s ALA 45 Ca -0.05 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 53.12 1x7s s ALA 45 Cb 0.01 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1x7s s ALA 45 CO 0.08 -0.64 0.56 -1.54 0.00 0.00 0.00 175.76 174.22 1x7s s SER 46 N -2.30 -0.30 0.00 0.00 1.04 -1.26 0.61 113.70 111.49 1x7s s SER 46 Ca 0.08 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1x7s s SER 46 Cb -0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1x7s s SER 46 CO -0.06 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1x7s n GLY 47 N -0.37 -1.23 3.03 7.32 0.00 -0.04 -4.95 105.19 108.95 1x7s n GLY 47 Ca -0.10 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.95 1x7s n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x7s s LYS 48 N -0.16 0.56 0.59 1.61 1.02 -1.26 -0.30 119.74 121.80 1x7s s LYS 48 Ca 0.00 -0.48 -0.19 0.00 0.02 0.00 0.00 55.97 55.32 1x7s s LYS 48 Cb 0.00 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 1x7s s LYS 48 CO 0.00 0.11 1.19 0.95 -0.92 0.00 0.00 175.35 176.69 1x7s s THR 49 N -0.69 2.71 0.16 2.17 -4.23 -0.21 -4.74 115.64 110.82 1x7s s THR 49 Ca -0.02 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 1x7s s THR 49 Cb -0.06 -3.16 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1x7s s THR 49 CO 0.00 -0.10 0.22 -1.54 -0.54 0.00 0.00 174.62 172.66 1x7s n SER 50 N -1.62 0.08 0.30 3.99 3.41 -0.00 -1.30 113.62 118.48 1x7s n SER 50 Ca 0.13 -1.12 0.16 0.00 -0.26 0.00 0.00 58.87 57.78 1x7s n SER 50 Cb 0.50 -0.16 0.96 0.00 -0.26 0.00 0.00 64.21 65.24 1x7s n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1x7s h GLU 51 N 0.00 0.00 -0.01 4.33 9.09 -1.93 0.19 114.58 126.24 1x7s h GLU 51 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 1x7s h GLU 51 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1x7s h GLU 51 CO 0.06 0.00 -0.03 -1.13 0.05 0.00 0.00 179.01 177.96 1x7s n SER 52 N -3.73 1.32 0.00 3.06 3.41 -1.26 -4.81 113.62 111.62 1x7s n SER 52 Ca -0.03 -1.39 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1x7s n SER 52 Cb 0.10 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1x7s n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x7s n GLY 53 N 1.18 0.53 3.68 5.00 0.00 0.05 -4.78 105.19 110.85 1x7s n GLY 53 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1x7s n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x7s s GLU 54 N -0.02 2.51 -0.23 1.61 2.02 -1.26 -0.40 118.70 122.94 1x7s s GLU 54 Ca 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 1x7s s GLU 54 Cb 0.00 -2.48 0.06 0.00 0.10 0.00 0.00 34.13 31.82 1x7s s GLU 54 CO 0.00 0.50 -0.01 -1.17 0.02 0.00 0.00 175.26 174.61 1x7s s LEU 55 N -2.59 2.13 0.36 1.80 2.96 0.58 -0.82 118.68 123.10 1x7s s LEU 55 Ca 0.27 -1.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 1x7s s LEU 55 Cb -0.11 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1x7s s LEU 55 CO 0.19 -0.28 0.32 -1.00 -1.32 0.00 0.00 176.35 174.26 1x7s s HIS 56 N 1.56 2.84 -0.25 5.38 3.76 -1.26 -2.01 115.29 125.30 1x7s s HIS 56 Ca -0.03 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1x7s s HIS 56 Cb -0.18 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1x7s s HIS 56 CO -0.08 0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 1x7s n GLY 57 N -1.43 0.58 0.32 -2.22 0.00 -1.26 -4.94 105.19 96.24 1x7s n GLY 57 Ca -0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 1x7s n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x7s h LEU 58 N 0.00 0.85 -8.19 0.99 3.38 -1.85 -3.47 115.31 107.02 1x7s h LEU 58 Ca -0.05 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1x7s h LEU 58 Cb 0.20 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1x7s h LEU 58 CO 0.07 0.77 0.09 0.28 0.09 0.00 0.00 178.44 179.74 1x7s s THR 59 N -5.42 0.00 0.31 0.22 -1.32 -1.26 -4.78 115.64 103.39 1x7s s THR 59 Ca -0.10 -1.22 0.11 0.00 -1.21 0.00 0.00 61.69 59.26 1x7s s THR 59 Cb 0.16 -2.67 -0.06 0.00 -1.51 0.00 0.00 72.50 68.42 1x7s s THR 59 CO 0.80 0.00 -0.14 0.42 -2.21 0.00 0.00 174.62 173.49 1x7s s THR 60 N -2.82 2.42 0.32 5.08 -4.23 -1.26 -4.56 115.64 110.59 1x7s s THR 60 Ca 0.20 -2.29 -0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1x7s s THR 60 Cb -0.03 -2.49 0.24 0.00 1.34 0.00 0.00 72.50 71.56 1x7s s THR 60 CO 0.14 -0.31 1.96 1.05 -0.54 0.00 0.00 174.62 176.92 1x7s h GLU 61 N 2.13 0.94 -0.64 3.99 9.09 -1.98 -1.82 114.58 126.29 1x7s h GLU 61 Ca -0.41 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 58.91 1x7s h GLU 61 Cb 1.26 -0.20 -0.03 0.00 -1.65 0.00 0.00 28.75 28.13 1x7s h GLU 61 CO 0.65 0.66 0.35 1.05 0.05 0.00 0.00 179.01 181.76 1x7s h GLU 62 N 0.96 0.89 0.00 1.06 -0.00 -2.04 -3.08 114.58 112.37 1x7s h GLU 62 Ca 0.25 -0.11 -0.08 0.00 -0.00 0.00 0.00 59.36 59.43 1x7s h GLU 62 Cb -0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 28.53 1x7s h GLU 62 CO -0.05 0.68 -0.42 0.93 -0.00 0.00 0.00 179.01 180.15 1x7s h GLU 63 N 0.87 0.00 -3.63 1.06 4.39 -1.88 -3.39 114.58 112.00 1x7s h GLU 63 Ca 0.22 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.20 1x7s h GLU 63 Cb 0.05 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.61 1x7s h GLU 63 CO -0.04 0.35 2.75 0.34 -1.16 0.00 0.00 179.01 181.26 1x7s n PHE 64 N -3.17 3.14 -1.75 4.33 7.35 -0.71 -4.95 117.46 121.70 1x7s n PHE 64 Ca 0.02 -2.91 -0.29 0.00 -0.76 0.00 0.00 57.45 53.51 1x7s n PHE 64 Cb 0.68 -2.28 0.15 0.00 0.35 0.00 0.00 39.48 38.38 1x7s n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x7s s VAL 65 N 1.78 1.96 0.45 -2.13 -7.23 -1.26 -4.94 120.40 109.02 1x7s s VAL 65 Ca 0.47 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.39 1x7s s VAL 65 Cb 0.13 -2.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 1x7s s VAL 65 CO -0.05 0.00 1.27 1.21 -0.31 0.00 0.00 175.10 177.22 1x7s n GLU 66 N -3.72 1.84 -3.61 4.82 2.13 -1.26 -4.78 120.64 116.06 1x7s n GLU 66 Ca 0.11 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1x7s n GLU 66 Cb 0.60 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1x7s n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x7s n GLY 67 N 0.83 -1.77 3.53 8.31 0.00 -0.96 -4.99 105.19 110.13 1x7s n GLY 67 Ca 0.07 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1x7s n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7s s ILE 68 N -2.51 4.45 0.12 -0.61 1.01 -1.26 -0.50 121.20 121.90 1x7s s ILE 68 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1x7s s ILE 68 Cb 0.00 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1x7s s ILE 68 CO 0.00 0.41 -0.23 -0.31 0.00 0.00 0.00 174.94 174.81 1x7s s TYR 69 N 0.96 2.42 -0.12 3.97 1.51 0.16 -0.72 117.35 125.53 1x7s s TYR 69 Ca 0.03 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1x7s s TYR 69 Cb -0.14 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1x7s s TYR 69 CO 0.03 0.36 -0.15 0.21 -1.11 0.00 0.00 175.55 174.89 1x7s s LYS 70 N -2.11 2.24 -0.30 -0.62 2.20 0.03 -1.36 119.74 119.81 1x7s s LYS 70 Ca 0.16 -0.56 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1x7s s LYS 70 Cb -0.10 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 1x7s s LYS 70 CO 0.08 -0.10 0.09 0.08 -0.36 0.00 0.00 175.35 175.14 1x7s s VAL 71 N 1.10 4.06 -0.24 4.02 1.01 0.64 -0.65 120.40 130.33 1x7s s VAL 71 Ca -0.04 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1x7s s VAL 71 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1x7s s VAL 71 CO -0.04 0.06 0.06 -0.70 0.00 0.00 0.00 175.10 174.48 1x7s s GLU 72 N 1.51 3.67 -0.25 2.72 2.12 0.61 -0.72 118.70 128.36 1x7s s GLU 72 Ca 0.03 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.81 1x7s s GLU 72 Cb -0.17 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1x7s s GLU 72 CO 0.03 -0.15 0.06 0.42 -0.54 0.00 0.00 175.26 175.08 1x7s s ILE 73 N 1.50 4.24 -1.32 -3.70 1.01 0.08 -0.69 121.20 122.32 1x7s s ILE 73 Ca 0.06 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 1x7s s ILE 73 Cb -0.15 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.44 1x7s s ILE 73 CO 0.03 0.35 1.81 0.47 0.00 0.00 0.00 174.94 177.60 1x7s n ASP 74 N 4.89 4.76 0.10 3.58 8.00 0.08 -1.27 116.55 136.69 1x7s n ASP 74 Ca -0.16 -2.93 -0.04 0.00 0.71 0.00 0.00 54.79 52.36 1x7s n ASP 74 Cb 0.51 -1.66 0.14 0.00 -0.02 0.00 0.00 41.12 40.09 1x7s n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x7s h THR 75 N 4.81 1.39 -0.38 -3.53 1.35 -1.87 -3.05 112.91 111.62 1x7s h THR 75 Ca 0.45 -1.96 -0.01 0.00 -0.55 0.00 0.00 66.41 64.33 1x7s h THR 75 Cb 0.79 2.00 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 1x7s h THR 75 CO 1.54 0.58 0.18 0.50 -0.25 0.00 0.00 175.52 178.06 1x7s h LYS 76 N 0.14 0.55 -0.24 4.72 3.64 -1.70 -1.29 116.57 122.39 1x7s h LYS 76 Ca -0.00 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1x7s h LYS 76 Cb 1.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1x7s h LYS 76 CO 0.09 0.49 -0.16 0.77 -2.27 0.00 0.00 179.45 178.37 1x7s h SER 77 N 0.47 0.41 0.05 4.20 0.02 -1.83 0.33 113.55 117.19 1x7s h SER 77 Ca 0.13 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1x7s h SER 77 Cb 0.13 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1x7s h SER 77 CO -0.02 0.59 -0.02 0.15 -1.14 0.00 0.00 176.83 176.39 1x7s h PHE 78 N 0.39 -0.06 -0.55 3.45 3.57 -1.33 -2.66 116.94 119.75 1x7s h PHE 78 Ca 0.07 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 1x7s h PHE 78 Cb 0.51 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1x7s h PHE 78 CO 0.01 0.10 -0.06 -1.49 -2.23 0.00 0.00 178.31 174.64 1x7s h TRP 79 N -0.20 1.12 -0.65 0.41 4.06 -0.90 -3.12 115.95 116.68 1x7s h TRP 79 Ca -0.01 -0.22 0.05 0.00 2.06 0.00 0.00 58.89 60.78 1x7s h TRP 79 Cb 0.18 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 1x7s h TRP 79 CO -0.03 1.03 0.37 0.87 -3.56 0.00 0.00 178.44 177.12 1x7s h LYS 80 N 0.89 0.68 0.00 0.49 6.56 -0.74 0.10 116.57 124.54 1x7s h LYS 80 Ca 0.15 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1x7s h LYS 80 Cb 0.62 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1x7s h LYS 80 CO 0.04 0.45 -0.09 0.00 -2.06 0.00 0.00 179.45 177.79 1x7s h ALA 81 N 1.32 1.26 -0.25 3.86 0.00 -1.42 0.70 119.26 124.73 1x7s h ALA 81 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x7s h ALA 81 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x7s h ALA 81 CO -0.16 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.48 1x7s n LEU 82 N -3.57 1.75 -0.02 0.00 4.77 -0.43 -4.94 117.00 114.56 1x7s n LEU 82 Ca -0.02 -0.81 -0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1x7s n LEU 82 Cb 0.21 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1x7s n LEU 82 CO 0.29 0.40 -0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1x7s n GLY 83 N 1.09 0.41 3.37 -0.72 0.00 0.24 -5.03 105.19 104.56 1x7s n GLY 83 Ca 0.14 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1x7s n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7s s ILE 84 N -2.01 2.50 -0.51 -0.61 1.01 -0.11 -4.98 121.20 116.49 1x7s s ILE 84 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 1x7s s ILE 84 Cb 0.00 -1.93 0.11 0.00 0.01 0.00 0.00 42.46 40.65 1x7s s ILE 84 CO 0.00 0.58 0.44 -0.44 0.00 0.00 0.00 174.94 175.52 1x7s s SER 85 N -0.54 6.08 0.74 3.58 0.01 -1.26 -2.75 113.70 119.56 1x7s s SER 85 Ca 0.07 -1.66 -0.06 0.00 1.31 0.00 0.00 55.95 55.61 1x7s s SER 85 Cb -0.11 -2.16 0.10 0.00 0.21 0.00 0.00 66.02 64.05 1x7s s SER 85 CO 0.01 -0.76 1.04 -2.16 0.41 0.00 0.00 173.24 171.78 1x7s s PRO 86 N 1.57 1.84 -0.10 12.44 0.04 -1.26 -5.00 135.00 144.54 1x7s s PRO 86 Ca 0.04 -0.52 -0.21 0.00 0.04 0.00 0.00 61.00 60.35 1x7s s PRO 86 Cb -0.28 -2.18 -0.28 0.00 0.04 0.00 0.00 34.50 31.81 1x7s s PRO 86 CO 0.03 -1.44 0.69 0.35 0.04 0.00 0.00 177.00 176.68 1x7s h PHE 87 N -0.70 0.38 -3.68 0.56 3.57 -1.61 -3.47 116.94 111.97 1x7s h PHE 87 Ca -0.42 -0.27 -0.50 0.00 3.53 0.00 0.00 57.97 60.31 1x7s h PHE 87 Cb 1.29 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 40.02 1x7s h PHE 87 CO -0.04 1.37 0.12 -1.01 -2.23 0.00 0.00 178.31 176.52 1x7s s HIS 88 N -2.41 3.48 0.04 0.41 3.76 -1.26 -4.99 115.29 114.32 1x7s s HIS 88 Ca -0.18 1.02 -0.16 0.00 -0.15 0.00 0.00 55.06 55.58 1x7s s HIS 88 Cb 0.02 -2.43 -0.28 0.00 1.11 0.00 0.00 32.58 31.01 1x7s s HIS 88 CO 0.76 -0.13 1.09 0.93 -0.85 0.00 0.00 174.74 176.55 1x7s h GLU 89 N 1.13 0.57 -2.96 1.40 4.39 -1.98 -3.37 114.58 113.78 1x7s h GLU 89 Ca -0.47 -0.73 0.04 0.00 0.34 0.00 0.00 59.36 58.54 1x7s h GLU 89 Cb 1.19 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 30.04 1x7s h GLU 89 CO 0.64 1.32 0.27 -3.38 -1.16 0.00 0.00 179.01 176.69 1x7s s HIS 90 N -3.01 -0.06 -0.15 4.33 -3.43 -1.26 -2.96 115.29 108.75 1x7s s HIS 90 Ca -0.11 -0.48 -0.05 0.00 -0.80 0.00 0.00 55.06 53.62 1x7s s HIS 90 Cb 0.05 0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 31.92 1x7s s HIS 90 CO 0.90 -1.35 0.04 0.00 -2.00 0.00 0.00 174.74 172.34 1x7s s ALA 91 N -3.19 3.37 0.02 -1.38 0.00 -0.39 -4.87 121.76 115.30 1x7s s ALA 91 Ca 0.13 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1x7s s ALA 91 Cb -0.05 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 1x7s s ALA 91 CO 0.09 0.34 -0.23 -1.21 0.00 0.00 0.00 175.76 174.75 1x7s s GLU 92 N -0.10 1.67 -0.16 0.00 2.02 -1.26 -0.74 118.70 120.12 1x7s s GLU 92 Ca 0.06 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 1x7s s GLU 92 Cb -0.12 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.43 1x7s s GLU 92 CO 0.01 0.45 -0.05 0.08 0.02 0.00 0.00 175.26 175.78 1x7s s VAL 93 N -0.67 1.10 -0.13 2.63 1.01 0.10 -4.97 120.40 119.46 1x7s s VAL 93 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1x7s s VAL 93 Cb -0.09 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1x7s s VAL 93 CO 0.01 0.14 -0.18 -0.69 0.00 0.00 0.00 175.10 174.38 1x7s s VAL 94 N 1.64 2.53 0.03 2.92 1.01 -1.26 -0.26 120.40 127.00 1x7s s VAL 94 Ca 0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1x7s s VAL 94 Cb -0.15 -2.03 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1x7s s VAL 94 CO -0.08 0.53 0.51 0.72 0.00 0.00 0.00 175.10 176.78 1x7s s PHE 95 N 0.56 -0.41 0.07 5.22 -0.71 -0.46 -5.00 117.98 117.25 1x7s s PHE 95 Ca -0.11 0.51 -0.26 0.00 -1.04 0.00 0.00 56.93 56.04 1x7s s PHE 95 Cb -0.16 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 1x7s s PHE 95 CO 0.04 -0.60 0.80 0.99 -1.34 0.00 0.00 175.22 175.11 1x7s s THR 96 N -2.14 4.64 0.09 -4.49 2.01 -1.26 -0.66 115.64 113.83 1x7s s THR 96 Ca -0.07 1.72 0.09 0.00 0.31 0.00 0.00 61.69 63.74 1x7s s THR 96 Cb -0.01 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1x7s s THR 96 CO 0.01 0.38 -0.22 0.00 -0.69 0.00 0.00 174.62 174.09 1x7s s ALA 97 N -0.19 1.93 -1.51 7.40 0.00 0.34 -4.81 121.76 124.92 1x7s s ALA 97 Ca 0.40 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1x7s s ALA 97 Cb -0.21 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1x7s s ALA 97 CO 0.25 0.41 0.61 0.09 0.00 0.00 0.00 175.76 177.12 1x7s n ASN 98 N 1.22 -5.77 -0.15 0.00 3.02 -1.26 -2.26 115.26 110.05 1x7s n ASN 98 Ca -0.19 -0.31 0.13 0.00 -0.03 0.00 0.00 54.58 54.18 1x7s n ASN 98 Cb 0.53 -4.67 0.32 0.00 -0.61 0.00 0.00 39.78 35.36 1x7s n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1x7s n ASP 99 N -2.51 0.84 -0.23 6.41 5.75 -1.26 -3.16 116.55 122.38 1x7s n ASP 99 Ca -0.09 -0.66 0.09 0.00 -0.01 0.00 0.00 54.79 54.12 1x7s n ASP 99 Cb 0.61 0.19 0.16 0.00 -1.03 0.00 0.00 41.12 41.05 1x7s n ASP 99 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1x7s n SER 100 N -0.97 2.34 0.00 -1.12 2.88 -1.26 -5.10 113.62 110.38 1x7s n SER 100 Ca 0.10 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1x7s n SER 100 Cb 0.34 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1x7s n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x7s n GLY 101 N -1.32 2.48 3.72 0.46 0.00 -1.19 -5.02 105.19 104.32 1x7s n GLY 101 Ca 0.17 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1x7s n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x7s n PRO 102 N 1.11 2.40 -4.27 1.61 -0.02 -1.26 -4.35 135.00 130.22 1x7s n PRO 102 Ca 0.00 0.85 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 1x7s n PRO 102 Cb 0.00 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 30.83 1x7s n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1x7s s ARG 103 N -1.04 1.17 -0.20 -0.52 1.81 -1.26 -4.92 118.95 113.98 1x7s s ARG 103 Ca 0.61 -1.56 -0.10 0.00 -1.72 0.00 0.00 55.73 52.96 1x7s s ARG 103 Cb -0.55 -0.42 -0.05 0.00 -0.45 0.00 0.00 34.95 33.48 1x7s s ARG 103 CO 0.54 -0.09 0.14 -0.98 -0.68 0.00 0.00 175.30 174.24 1x7s s ARG 104 N -3.87 4.18 -0.14 3.54 1.70 -0.17 -4.85 118.95 119.34 1x7s s ARG 104 Ca 0.24 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.30 1x7s s ARG 104 Cb 0.05 -3.43 -0.00 0.00 -0.57 0.00 0.00 34.95 31.00 1x7s s ARG 104 CO 0.05 0.27 -0.16 0.71 -1.08 0.00 0.00 175.30 175.09 1x7s s TYR 105 N 0.44 2.75 -0.21 5.89 1.51 0.26 -1.62 117.35 126.38 1x7s s TYR 105 Ca 0.08 -0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 55.17 1x7s s TYR 105 Cb -0.11 -1.85 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1x7s s TYR 105 CO -0.01 -0.39 -0.03 0.99 -1.11 0.00 0.00 175.55 175.00 1x7s s THR 106 N 0.61 3.62 -0.34 -0.71 2.01 0.39 -1.17 115.64 120.05 1x7s s THR 106 Ca -0.09 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1x7s s THR 106 Cb -0.16 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 1x7s s THR 106 CO 0.03 0.42 0.20 -0.63 -0.69 0.00 0.00 174.62 173.95 1x7s s ILE 107 N 1.27 4.87 -0.07 1.82 -1.09 -0.08 -0.92 121.20 126.99 1x7s s ILE 107 Ca 0.03 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 1x7s s ILE 107 Cb -0.14 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 1x7s s ILE 107 CO -0.00 -0.03 -0.07 0.00 -1.23 0.00 0.00 174.94 173.61 1x7s s ALA 108 N 1.64 2.98 -0.04 9.38 0.00 -0.04 -0.76 121.76 134.92 1x7s s ALA 108 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1x7s s ALA 108 Cb -0.18 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1x7s s ALA 108 CO 0.08 0.57 -0.11 0.00 0.00 0.00 0.00 175.76 176.30 1x7s s ALA 109 N -0.78 1.06 -0.22 0.00 0.00 -0.15 -0.92 121.76 120.74 1x7s s ALA 109 Ca 0.12 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1x7s s ALA 109 Cb -0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1x7s s ALA 109 CO 0.01 0.14 -0.06 -1.17 0.00 0.00 0.00 175.76 174.69 1x7s s LEU 110 N 0.40 2.90 -0.14 0.00 2.96 -0.03 -1.05 118.68 123.72 1x7s s LEU 110 Ca -0.08 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1x7s s LEU 110 Cb -0.12 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1x7s s LEU 110 CO 0.02 -0.04 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.21 1x7s s LEU 111 N 1.44 3.28 0.19 -0.68 1.43 -0.31 -1.40 118.68 122.63 1x7s s LEU 111 Ca 0.05 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1x7s s LEU 111 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1x7s s LEU 111 CO -0.04 0.22 -0.16 -0.44 0.23 0.00 0.00 176.35 176.16 1x7s s SER 112 N 0.08 2.65 0.32 2.29 0.01 0.27 -0.98 113.70 118.34 1x7s s SER 112 Ca -0.00 -0.96 0.04 0.00 1.31 0.00 0.00 55.95 56.34 1x7s s SER 112 Cb -0.13 -0.15 0.66 0.00 0.21 0.00 0.00 66.02 66.61 1x7s s SER 112 CO 0.03 -0.11 1.88 -0.65 0.41 0.00 0.00 173.24 174.80 1x7s h PRO 113 N 2.79 0.84 -0.10 12.44 0.11 -1.99 -2.89 132.00 143.21 1x7s h PRO 113 Ca -0.39 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1x7s h PRO 113 Cb 1.22 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1x7s h PRO 113 CO 0.58 0.56 -0.01 0.66 -0.21 0.00 0.00 178.00 179.57 1x7s n TYR 114 N -4.54 0.36 -3.54 0.65 4.01 -1.26 -1.47 117.16 111.36 1x7s n TYR 114 Ca 0.16 -0.98 -0.16 0.00 -0.16 0.00 0.00 57.90 56.75 1x7s n TYR 114 Cb 0.33 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1x7s n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x7s s SER 115 N -2.55 -0.61 0.08 7.72 0.15 -1.09 -4.96 113.70 112.44 1x7s s SER 115 Ca 0.36 0.72 -0.11 0.00 0.70 0.00 0.00 55.95 57.62 1x7s s SER 115 Cb 0.31 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 1x7s s SER 115 CO 0.05 -0.52 0.24 -0.72 1.20 0.00 0.00 173.24 173.48 1x7s s TYR 116 N -1.03 0.04 0.14 3.44 -0.85 -1.26 -0.56 117.35 117.27 1x7s s TYR 116 Ca -0.08 -0.38 0.09 0.00 -0.52 0.00 0.00 57.07 56.17 1x7s s TYR 116 Cb -0.01 0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 1x7s s TYR 116 CO 0.07 -0.54 -0.20 -1.54 -1.52 0.00 0.00 175.55 171.82 1x7s s SER 117 N -2.61 2.68 0.01 -0.18 1.04 -0.49 -4.98 113.70 109.16 1x7s s SER 117 Ca 0.02 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.68 1x7s s SER 117 Cb 0.03 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 1x7s s SER 117 CO -0.09 0.02 -0.05 0.28 0.98 0.00 0.00 173.24 174.39 1x7s s THR 118 N -1.61 0.34 0.00 2.02 -1.32 -1.26 -0.85 115.64 112.96 1x7s s THR 118 Ca 0.12 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.24 1x7s s THR 118 Cb -0.08 -0.32 -0.01 0.00 -1.51 0.00 0.00 72.50 70.58 1x7s s THR 118 CO 0.06 -0.03 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.50 1x7s s THR 119 N -0.39 0.36 -0.13 5.08 2.01 -0.10 -4.99 115.64 117.47 1x7s s THR 119 Ca -0.01 -0.35 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1x7s s THR 119 Cb -0.03 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1x7s s THR 119 CO -0.00 -0.01 -0.06 0.00 -0.69 0.00 0.00 174.62 173.86 1x7s s ALA 120 N -0.36 2.92 -0.20 7.40 0.00 -1.26 -0.86 121.76 129.40 1x7s s ALA 120 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1x7s s ALA 120 Cb -0.03 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1x7s s ALA 120 CO -0.00 0.31 -0.03 0.08 0.00 0.00 0.00 175.76 176.12 1x7s s VAL 121 N 0.08 3.66 -0.15 0.00 1.01 -0.10 -4.98 120.40 119.93 1x7s s VAL 121 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1x7s s VAL 121 Cb -0.14 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 1x7s s VAL 121 CO 0.03 0.43 -0.17 -0.69 0.00 0.00 0.00 175.10 174.70 1x7s s VAL 122 N 1.14 1.75 0.15 2.92 1.01 -1.26 -0.46 120.40 125.65 1x7s s VAL 122 Ca 0.02 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1x7s s VAL 122 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1x7s s VAL 122 CO 0.00 0.49 -0.18 0.42 0.00 0.00 0.00 175.10 175.83 1x7s s THR 123 N 1.23 1.74 -1.58 3.92 -4.23 -0.64 -4.98 115.64 111.10 1x7s s THR 123 Ca 0.01 -1.85 0.13 0.00 -1.18 0.00 0.00 61.69 58.79 1x7s s THR 123 Cb -0.14 -1.77 0.10 0.00 1.34 0.00 0.00 72.50 72.03 1x7s s THR 123 CO -0.08 -0.30 0.90 -0.46 -0.54 0.00 0.00 174.62 174.14