#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfm n PRO 11 N 0.00 0.24 -3.62 0.00 -0.04 -1.26 -4.72 135.00 125.60 3cfm n PRO 11 Ca 0.00 0.14 -0.22 0.00 -0.04 0.00 0.00 63.50 63.38 3cfm n PRO 11 Cb 0.00 -1.72 -0.16 0.00 -0.04 0.00 0.00 33.50 31.58 3cfm n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3cfm s LEU 12 N -4.20 0.15 0.08 1.53 2.96 -1.26 -0.14 118.68 117.80 3cfm s LEU 12 Ca 0.09 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 3cfm s LEU 12 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.76 3cfm s LEU 12 CO 0.64 -0.30 -0.17 -0.04 -1.32 0.00 0.00 176.35 175.16 3cfm s MET 13 N 2.20 0.98 -0.03 1.98 -1.94 0.01 -4.43 119.30 118.07 3cfm s MET 13 Ca 0.04 -1.02 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 3cfm s MET 13 Cb -0.14 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.59 3cfm s MET 13 CO -0.07 0.25 -0.17 0.08 -0.01 0.00 0.00 175.02 175.10 3cfm s VAL 14 N -1.16 1.40 -0.04 -6.03 1.01 -0.78 -0.62 120.40 114.18 3cfm s VAL 14 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3cfm s VAL 14 Cb -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3cfm s VAL 14 CO 0.03 0.40 -0.18 -0.54 0.00 0.00 0.00 175.10 174.81 3cfm s LYS 15 N -0.08 1.84 -0.05 2.72 1.02 -0.22 -0.37 119.74 124.60 3cfm s LYS 15 Ca -0.01 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.34 3cfm s LYS 15 Cb -0.10 -1.61 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3cfm s LYS 15 CO 0.01 0.28 -0.06 0.08 -0.92 0.00 0.00 175.35 174.74 3cfm s VAL 16 N -0.04 0.68 0.13 3.17 1.01 0.19 -0.92 120.40 124.62 3cfm s VAL 16 Ca -0.03 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.84 3cfm s VAL 16 Cb -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3cfm s VAL 16 CO 0.02 0.26 -0.14 -0.76 0.00 0.00 0.00 175.10 174.48 3cfm s LEU 17 N 0.93 2.85 -0.31 3.92 1.43 -0.39 -1.05 118.68 126.07 3cfm s LEU 17 Ca -0.11 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.39 3cfm s LEU 17 Cb -0.14 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3cfm s LEU 17 CO 0.00 0.16 0.13 -0.62 0.23 0.00 0.00 176.35 176.26 3cfm s ASP 18 N -2.30 5.43 0.00 2.29 -1.08 0.51 -1.01 116.67 120.51 3cfm s ASP 18 Ca 0.20 -0.64 0.29 0.00 -0.52 0.00 0.00 52.55 51.88 3cfm s ASP 18 Cb -0.10 -1.96 1.21 0.00 -1.46 0.00 0.00 42.92 40.61 3cfm s ASP 18 CO 0.12 -0.22 1.89 0.00 0.52 0.00 0.00 175.17 177.49 3cfm n ALA 19 N 4.94 2.51 -0.01 3.66 0.00 0.27 -1.22 120.51 130.66 3cfm n ALA 19 Ca -0.14 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 52.96 3cfm n ALA 19 Cb 0.48 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3cfm n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cfm h VAL 20 N 0.03 1.30 0.00 0.00 2.07 -1.94 -3.39 116.25 114.32 3cfm h VAL 20 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 3cfm h VAL 20 Cb 0.46 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3cfm h VAL 20 CO 0.00 0.64 -1.12 0.54 0.02 0.00 0.00 177.57 177.65 3cfm n ARG 21 N -4.18 0.54 -3.09 1.57 1.74 -1.21 -4.99 116.66 107.04 3cfm n ARG 21 Ca -0.20 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 3cfm n ARG 21 Cb 0.77 -1.74 0.07 0.00 -1.02 0.00 0.00 32.46 30.54 3cfm n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cfm n GLY 22 N 1.23 -0.31 3.33 -0.13 0.00 -0.36 -5.04 105.19 103.92 3cfm n GLY 22 Ca -0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3cfm n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cfm s SER 23 N -3.93 -0.10 0.60 1.61 0.01 -1.14 -5.02 113.70 105.73 3cfm s SER 23 Ca 0.07 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 3cfm s SER 23 Cb -0.01 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 3cfm s SER 23 CO 0.58 -0.87 1.21 -2.65 0.41 0.00 0.00 173.24 171.92 3cfm n PRO 24 N -0.21 1.23 -3.10 12.44 -0.02 -1.26 -0.36 135.00 143.72 3cfm n PRO 24 Ca -0.13 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 3cfm n PRO 24 Cb 0.63 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 3cfm n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfm s ALA 25 N -1.39 3.34 0.15 3.55 0.00 -0.21 -4.56 121.76 122.64 3cfm s ALA 25 Ca 0.77 -1.48 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 3cfm s ALA 25 Cb -0.41 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 3cfm s ALA 25 CO 0.45 -1.97 0.48 0.42 0.00 0.00 0.00 175.76 175.14 3cfm s ILE 26 N 2.86 4.99 -1.39 0.00 1.01 -1.26 -4.35 121.20 123.05 3cfm s ILE 26 Ca 0.20 0.52 -0.09 0.00 0.00 0.00 0.00 60.65 61.28 3cfm s ILE 26 Cb -0.16 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.68 3cfm s ILE 26 CO 0.15 0.14 1.07 -3.20 0.00 0.00 0.00 174.94 173.11 3cfm n ASN 27 N 0.48 -5.04 -4.65 3.58 5.15 -0.59 -4.95 115.26 109.24 3cfm n ASN 27 Ca -0.04 -0.64 -0.39 0.00 -0.60 0.00 0.00 54.58 52.90 3cfm n ASN 27 Cb 0.52 -4.63 -0.07 0.00 -0.53 0.00 0.00 39.78 35.07 3cfm n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cfm s VAL 28 N -3.35 5.09 0.31 3.44 1.01 -1.26 -4.81 120.40 120.83 3cfm s VAL 28 Ca 0.50 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 63.15 3cfm s VAL 28 Cb -0.23 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3cfm s VAL 28 CO 0.77 0.14 1.09 0.00 0.00 0.00 0.00 175.10 177.10 3cfm s ALA 29 N 1.86 3.33 -0.05 5.51 0.00 -1.26 -1.47 121.76 129.68 3cfm s ALA 29 Ca 0.24 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3cfm s ALA 29 Cb -0.15 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3cfm s ALA 29 CO 0.09 -0.17 -0.02 0.08 0.00 0.00 0.00 175.76 175.75 3cfm s VAL 30 N -1.27 0.38 -0.11 0.00 1.01 0.31 -0.78 120.40 119.95 3cfm s VAL 30 Ca 0.47 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3cfm s VAL 30 Cb -0.30 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3cfm s VAL 30 CO 0.38 0.21 -0.21 -1.00 0.00 0.00 0.00 175.10 174.48 3cfm s HIS 31 N 1.24 2.62 -0.08 5.22 3.76 -0.24 -1.30 115.29 126.52 3cfm s HIS 31 Ca -0.06 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 53.90 3cfm s HIS 31 Cb -0.14 -1.74 -0.03 0.00 1.11 0.00 0.00 32.58 31.78 3cfm s HIS 31 CO -0.02 -0.37 -0.09 0.08 -0.85 0.00 0.00 174.74 173.49 3cfm s VAL 32 N 0.35 3.52 0.14 -0.90 1.01 0.25 -0.26 120.40 124.51 3cfm s VAL 32 Ca -0.17 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3cfm s VAL 32 Cb -0.17 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3cfm s VAL 32 CO 0.08 0.58 -0.14 -0.36 0.00 0.00 0.00 175.10 175.26 3cfm s PHE 33 N -0.60 1.48 -0.05 5.22 0.40 0.49 -0.37 117.98 124.55 3cfm s PHE 33 Ca 0.09 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 3cfm s PHE 33 Cb -0.12 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.68 3cfm s PHE 33 CO 0.02 0.19 -0.07 0.50 0.70 0.00 0.00 175.22 176.55 3cfm s ARG 34 N -2.93 1.13 -0.05 0.44 3.52 0.26 -0.72 118.95 120.60 3cfm s ARG 34 Ca 0.12 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 3cfm s ARG 34 Cb -0.04 -1.02 -0.05 0.00 -1.56 0.00 0.00 34.95 32.28 3cfm s ARG 34 CO 0.04 -0.03 1.59 0.21 -0.81 0.00 0.00 175.30 176.29 3cfm s LYS 35 N 0.79 4.20 0.76 5.12 2.20 -0.07 -1.73 119.74 131.01 3cfm s LYS 35 Ca -0.13 2.12 -0.11 0.00 -0.36 0.00 0.00 55.97 57.50 3cfm s LYS 35 Cb -0.15 -3.89 0.06 0.00 -1.51 0.00 0.00 37.83 32.34 3cfm s LYS 35 CO 0.02 -0.80 1.12 0.00 -0.36 0.00 0.00 175.35 175.33 3cfm s ALA 36 N 3.70 2.82 0.53 3.13 0.00 0.08 -4.69 121.76 127.33 3cfm s ALA 36 Ca 0.71 -0.62 0.28 0.00 0.00 0.00 0.00 51.96 52.33 3cfm s ALA 36 Cb -0.32 -2.90 1.67 0.00 0.00 0.00 0.00 23.12 21.57 3cfm s ALA 36 CO 0.28 -1.45 2.19 0.00 0.00 0.00 0.00 175.76 176.77 3cfm h ALA 37 N -0.85 1.46 -0.25 0.00 0.00 -1.94 -0.10 119.26 117.57 3cfm h ALA 37 Ca -0.45 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3cfm h ALA 37 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3cfm h ALA 37 CO 0.64 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3cfm n ASP 38 N -3.80 1.39 -0.52 0.00 5.68 -1.26 -4.92 116.55 113.11 3cfm n ASP 38 Ca -0.03 -2.01 -0.07 0.00 -0.50 0.00 0.00 54.79 52.19 3cfm n ASP 38 Cb 0.14 -0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 39.91 3cfm n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3cfm n ASP 39 N 0.24 -4.23 -4.93 -1.12 9.92 -0.05 -5.04 116.55 111.35 3cfm n ASP 39 Ca 0.09 0.17 -0.26 0.00 -0.53 0.00 0.00 54.79 54.25 3cfm n ASP 39 Cb 0.22 -2.32 -0.02 0.00 -0.64 0.00 0.00 41.12 38.36 3cfm n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cfm s THR 40 N -2.11 5.13 -0.52 -3.53 -4.23 -1.26 -4.84 115.64 104.28 3cfm s THR 40 Ca 0.00 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.91 3cfm s THR 40 Cb 0.00 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 70.08 3cfm s THR 40 CO 0.00 -0.37 0.88 0.26 -0.54 0.00 0.00 174.62 174.84 3cfm s TRP 41 N -2.10 2.87 0.01 3.99 0.52 -1.26 -0.74 118.94 122.22 3cfm s TRP 41 Ca 0.40 0.00 -0.20 0.00 0.02 0.00 0.00 56.10 56.32 3cfm s TRP 41 Cb -0.10 -3.93 -0.06 0.00 -1.15 0.00 0.00 33.47 28.24 3cfm s TRP 41 CO 0.32 -1.22 0.59 -1.21 0.02 0.00 0.00 176.95 175.45 3cfm s GLU 42 N 3.66 4.30 0.22 4.98 2.02 -0.70 -4.86 118.70 128.32 3cfm s GLU 42 Ca 0.29 0.73 -0.32 0.00 0.02 0.00 0.00 54.97 55.70 3cfm s GLU 42 Cb -0.13 -3.33 -0.13 0.00 0.10 0.00 0.00 34.13 30.64 3cfm s GLU 42 CO 0.20 0.40 1.58 -2.30 0.02 0.00 0.00 175.26 175.17 3cfm n PRO 43 N 2.59 2.40 -0.02 0.39 -0.02 -1.26 -0.57 135.00 138.50 3cfm n PRO 43 Ca -0.07 0.86 -0.04 0.00 -2.02 0.00 0.00 63.50 62.22 3cfm n PRO 43 Cb 0.51 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 3cfm n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cfm n PHE 44 N 2.98 0.00 -3.61 6.00 7.35 0.50 -4.79 117.46 125.89 3cfm n PHE 44 Ca 0.14 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.77 3cfm n PHE 44 Cb 0.32 -0.18 -0.02 0.00 0.35 0.00 0.00 39.48 39.96 3cfm n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cfm s ALA 45 N -2.09 -1.76 0.16 3.13 0.00 -0.95 -5.00 121.76 115.24 3cfm s ALA 45 Ca -0.07 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 3cfm s ALA 45 Cb 0.02 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.69 3cfm s ALA 45 CO 0.10 -0.84 0.49 -1.54 0.00 0.00 0.00 175.76 173.97 3cfm s SER 46 N -2.68 -0.31 -0.00 0.00 1.04 -1.26 0.84 113.70 111.32 3cfm s SER 46 Ca 0.08 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 3cfm s SER 46 Cb -0.01 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3cfm s SER 46 CO -0.04 -0.95 0.09 0.61 0.98 0.00 0.00 173.24 173.92 3cfm n GLY 47 N -0.30 0.47 3.06 7.32 0.00 -0.42 -4.95 105.19 110.38 3cfm n GLY 47 Ca -0.14 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 3cfm n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cfm s LYS 48 N -2.00 0.75 0.50 1.61 2.20 -1.26 -0.53 119.74 121.01 3cfm s LYS 48 Ca 0.02 -0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 3cfm s LYS 48 Cb -0.00 -0.71 -0.06 0.00 -1.51 0.00 0.00 37.83 35.55 3cfm s LYS 48 CO -0.00 0.18 1.26 0.95 -0.36 0.00 0.00 175.35 177.39 3cfm s THR 49 N -0.53 2.58 0.48 3.43 -4.23 -0.54 -4.72 115.64 112.12 3cfm s THR 49 Ca 0.01 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 60.91 3cfm s THR 49 Cb -0.05 -3.22 0.10 0.00 1.34 0.00 0.00 72.50 70.67 3cfm s THR 49 CO 0.00 -0.01 0.65 -1.54 -0.54 0.00 0.00 174.62 173.19 3cfm n SER 50 N -0.75 0.33 0.26 3.99 3.41 0.04 -1.55 113.62 119.35 3cfm n SER 50 Ca 0.09 -1.41 0.18 0.00 -0.26 0.00 0.00 58.87 57.47 3cfm n SER 50 Cb 0.46 -0.47 0.91 0.00 -0.26 0.00 0.00 64.21 64.86 3cfm n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cfm h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 0.12 114.58 121.47 3cfm h GLU 51 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3cfm h GLU 51 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3cfm h GLU 51 CO 0.18 0.00 -0.07 -1.13 -1.16 0.00 0.00 179.01 176.82 3cfm n SER 52 N -3.47 1.17 -0.02 1.42 3.41 -1.26 -4.79 113.62 110.08 3cfm n SER 52 Ca -0.00 -1.23 -0.00 0.00 -0.26 0.00 0.00 58.87 57.38 3cfm n SER 52 Cb 0.28 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3cfm n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfm n GLY 53 N 1.21 0.47 3.73 5.00 0.00 0.41 -4.76 105.19 111.26 3cfm n GLY 53 Ca 0.17 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3cfm n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfm s GLU 54 N -0.50 2.74 -0.15 1.61 2.02 -1.26 -0.64 118.70 122.53 3cfm s GLU 54 Ca 0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 3cfm s GLU 54 Cb 0.00 -2.65 0.04 0.00 0.10 0.00 0.00 34.13 31.62 3cfm s GLU 54 CO 0.00 0.56 -0.04 -1.17 0.02 0.00 0.00 175.26 174.63 3cfm s LEU 55 N -2.31 1.35 0.41 1.80 2.96 0.50 -0.78 118.68 122.61 3cfm s LEU 55 Ca 0.27 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 3cfm s LEU 55 Cb -0.12 -0.80 -0.07 0.00 0.50 0.00 0.00 46.19 45.70 3cfm s LEU 55 CO 0.20 -0.18 0.07 -1.00 -1.32 0.00 0.00 176.35 174.11 3cfm s HIS 56 N 1.72 2.55 -0.96 5.38 3.76 -1.26 -1.87 115.29 124.61 3cfm s HIS 56 Ca 0.02 -0.64 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 3cfm s HIS 56 Cb -0.14 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.70 3cfm s HIS 56 CO -0.07 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.58 3cfm n GLY 57 N -1.06 0.72 0.30 -2.22 0.00 -1.26 -4.91 105.19 96.76 3cfm n GLY 57 Ca -0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 3cfm n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cfm h LEU 58 N 0.00 0.97 0.00 0.99 3.38 -1.88 -3.48 115.31 115.28 3cfm h LEU 58 Ca -0.21 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.31 3cfm h LEU 58 Cb 0.82 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3cfm h LEU 58 CO 0.28 1.01 -0.03 1.07 0.09 0.00 0.00 178.44 180.86 3cfm n THR 59 N -4.19 0.00 -4.47 0.22 5.66 -1.26 -4.79 114.28 105.44 3cfm n THR 59 Ca 0.03 -1.44 -0.24 0.00 -3.05 0.00 0.00 64.05 59.36 3cfm n THR 59 Cb 0.32 0.98 -0.10 0.00 -1.55 0.00 0.00 70.33 69.99 3cfm n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cfm s THR 60 N -2.62 2.26 0.18 1.09 -4.23 -1.26 -4.64 115.64 106.41 3cfm s THR 60 Ca 0.23 -2.31 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 3cfm s THR 60 Cb -0.02 -2.37 0.12 0.00 1.34 0.00 0.00 72.50 71.57 3cfm s THR 60 CO 0.17 -0.36 1.63 -0.08 -0.54 0.00 0.00 174.62 175.44 3cfm h GLU 61 N 2.24 -0.10 -0.50 3.99 4.22 -1.99 -1.31 114.58 121.13 3cfm h GLU 61 Ca -0.40 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.12 3cfm h GLU 61 Cb 1.25 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 3cfm h GLU 61 CO 0.64 -0.07 0.16 0.93 -2.18 0.00 0.00 179.01 178.49 3cfm h GLU 62 N -0.11 0.32 0.00 1.92 5.08 -2.03 -2.77 114.58 117.00 3cfm h GLU 62 Ca 0.21 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3cfm h GLU 62 Cb 0.44 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3cfm h GLU 62 CO -0.51 0.21 -0.18 0.93 -1.00 0.00 0.00 179.01 178.46 3cfm h GLU 63 N 0.33 0.00 -3.50 2.33 4.39 -1.90 -3.38 114.58 112.86 3cfm h GLU 63 Ca 0.24 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.20 3cfm h GLU 63 Cb 0.27 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.79 3cfm h GLU 63 CO -0.26 0.10 2.32 0.34 -1.16 0.00 0.00 179.01 180.35 3cfm n PHE 64 N -3.09 2.99 -1.97 4.33 7.35 -0.52 -4.95 117.46 121.60 3cfm n PHE 64 Ca 0.03 -2.83 -0.30 0.00 -0.76 0.00 0.00 57.45 53.59 3cfm n PHE 64 Cb 0.57 -2.06 0.19 0.00 0.35 0.00 0.00 39.48 38.53 3cfm n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cfm s VAL 65 N 0.82 2.00 0.48 -2.13 -7.23 -1.26 -4.94 120.40 108.14 3cfm s VAL 65 Ca 0.43 -0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 60.33 3cfm s VAL 65 Cb 0.11 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 3cfm s VAL 65 CO -0.02 0.00 1.31 1.21 -0.31 0.00 0.00 175.10 177.29 3cfm n GLU 66 N -3.78 1.87 -3.72 4.82 0.00 -1.26 -4.78 120.64 113.79 3cfm n GLU 66 Ca 0.16 0.67 0.00 0.00 0.00 0.00 0.00 57.16 57.99 3cfm n GLU 66 Cb 0.59 -2.48 0.00 0.00 0.00 0.00 0.00 31.44 29.55 3cfm n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3cfm n GLY 67 N 0.78 -2.22 3.63 8.31 0.00 -0.96 -5.00 105.19 109.73 3cfm n GLY 67 Ca 0.08 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 3cfm n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfm s ILE 68 N -2.20 5.25 0.10 -0.61 1.01 -1.26 -0.81 121.20 122.68 3cfm s ILE 68 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.87 3cfm s ILE 68 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3cfm s ILE 68 CO 0.00 0.33 -0.14 -0.31 0.00 0.00 0.00 174.94 174.82 3cfm s TYR 69 N 1.18 2.64 -0.15 3.97 1.51 0.24 -0.90 117.35 125.84 3cfm s TYR 69 Ca 0.07 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3cfm s TYR 69 Cb -0.14 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 3cfm s TYR 69 CO 0.05 0.38 -0.13 0.21 -1.11 0.00 0.00 175.55 174.96 3cfm s LYS 70 N -2.04 2.14 -0.36 -0.62 2.20 0.11 -1.27 119.74 119.90 3cfm s LYS 70 Ca 0.19 -0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 3cfm s LYS 70 Cb -0.11 -2.09 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 3cfm s LYS 70 CO 0.11 -0.27 0.21 0.08 -0.36 0.00 0.00 175.35 175.11 3cfm s VAL 71 N 1.51 4.72 -0.30 4.02 1.01 0.58 -0.38 120.40 131.56 3cfm s VAL 71 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3cfm s VAL 71 Cb -0.13 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3cfm s VAL 71 CO -0.10 -0.16 0.17 -1.61 0.00 0.00 0.00 175.10 173.40 3cfm s GLU 72 N 1.60 3.62 -0.25 2.72 2.02 0.65 -0.85 118.70 128.20 3cfm s GLU 72 Ca 0.03 -0.53 -0.09 0.00 0.02 0.00 0.00 54.97 54.40 3cfm s GLU 72 Cb -0.18 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3cfm s GLU 72 CO 0.07 -0.31 0.11 0.42 0.02 0.00 0.00 175.26 175.57 3cfm s ILE 73 N 1.69 4.69 -1.32 -1.63 1.01 0.09 -1.08 121.20 124.65 3cfm s ILE 73 Ca 0.06 -0.04 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 3cfm s ILE 73 Cb -0.16 -3.20 0.11 0.00 0.01 0.00 0.00 42.46 39.21 3cfm s ILE 73 CO 0.08 0.32 1.83 0.47 0.00 0.00 0.00 174.94 177.64 3cfm n ASP 74 N 4.86 4.75 0.04 3.58 8.00 0.04 -1.31 116.55 136.52 3cfm n ASP 74 Ca -0.15 -2.95 -0.12 0.00 0.71 0.00 0.00 54.79 52.28 3cfm n ASP 74 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 3cfm n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cfm h THR 75 N 4.57 1.36 -0.19 -3.53 1.35 -1.87 -3.14 112.91 111.46 3cfm h THR 75 Ca 0.44 -2.13 0.01 0.00 -0.55 0.00 0.00 66.41 64.19 3cfm h THR 75 Cb 0.76 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3cfm h THR 75 CO 1.56 0.65 0.10 0.50 -0.25 0.00 0.00 175.52 178.07 3cfm h LYS 76 N 0.33 0.20 -0.74 4.72 3.64 -1.60 -1.71 116.57 121.41 3cfm h LYS 76 Ca -0.04 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3cfm h LYS 76 Cb 1.35 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 3cfm h LYS 76 CO 0.14 0.13 0.41 0.77 -2.27 0.00 0.00 179.45 178.63 3cfm h SER 77 N 0.21 0.60 -0.01 4.20 0.02 -1.82 -1.22 113.55 115.53 3cfm h SER 77 Ca 0.08 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3cfm h SER 77 Cb 0.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3cfm h SER 77 CO -0.05 0.37 -0.14 0.22 -1.14 0.00 0.00 176.83 176.09 3cfm h TYR 78 N 0.73 -0.37 -0.50 3.45 3.20 -1.38 -3.06 116.97 119.04 3cfm h TYR 78 Ca 0.34 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.11 3cfm h TYR 78 Cb 0.26 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3cfm h TYR 78 CO -0.07 -0.21 -0.15 -1.49 -1.64 0.00 0.00 178.16 174.60 3cfm h TRP 79 N -0.24 1.10 -0.57 -3.82 4.06 -0.84 -3.05 115.95 112.59 3cfm h TRP 79 Ca 0.05 -0.24 0.11 0.00 2.06 0.00 0.00 58.89 60.88 3cfm h TRP 79 Cb 0.30 -0.27 -0.11 0.00 -1.00 0.00 0.00 29.16 28.08 3cfm h TRP 79 CO -0.20 1.04 -0.16 0.87 -3.56 0.00 0.00 178.44 176.43 3cfm h LYS 80 N 0.86 -0.02 0.00 0.49 1.79 -0.96 -1.13 116.57 117.60 3cfm h LYS 80 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3cfm h LYS 80 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3cfm h LYS 80 CO 0.05 -0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 3cfm h ALA 81 N 1.52 1.00 -0.69 3.86 0.00 -1.43 0.61 119.26 124.13 3cfm h ALA 81 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3cfm h ALA 81 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3cfm h ALA 81 CO -0.59 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.94 3cfm n LEU 82 N -2.75 4.03 0.00 0.00 4.77 -0.58 -4.94 117.00 117.54 3cfm n LEU 82 Ca -0.00 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 3cfm n LEU 82 Cb 0.18 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3cfm n LEU 82 CO 0.21 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3cfm n GLY 83 N 1.49 0.50 3.52 -0.72 0.00 0.21 -5.04 105.19 105.15 3cfm n GLY 83 Ca 0.24 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3cfm n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfm s ILE 84 N -2.00 3.65 -0.51 -0.61 1.01 -0.53 -5.00 121.20 117.22 3cfm s ILE 84 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 3cfm s ILE 84 Cb 0.00 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3cfm s ILE 84 CO 0.00 0.56 0.49 -0.44 0.00 0.00 0.00 174.94 175.54 3cfm s SER 85 N -0.28 6.17 0.68 3.58 0.01 -1.26 -2.57 113.70 120.03 3cfm s SER 85 Ca 0.04 -1.40 -0.02 0.00 1.31 0.00 0.00 55.95 55.88 3cfm s SER 85 Cb -0.13 -2.22 0.09 0.00 0.21 0.00 0.00 66.02 63.97 3cfm s SER 85 CO 0.02 -0.78 0.95 -2.16 0.41 0.00 0.00 173.24 171.68 3cfm s PRO 86 N 1.88 2.00 -0.11 12.44 0.04 -1.26 -4.98 135.00 144.99 3cfm s PRO 86 Ca 0.06 -0.77 -0.27 0.00 0.04 0.00 0.00 61.00 60.06 3cfm s PRO 86 Cb -0.25 -2.31 -0.28 0.00 0.04 0.00 0.00 34.50 31.70 3cfm s PRO 86 CO 0.06 -1.23 0.80 0.35 0.04 0.00 0.00 177.00 177.03 3cfm h PHE 87 N -0.43 0.15 -3.68 0.56 3.57 -1.40 -3.47 116.94 112.23 3cfm h PHE 87 Ca -0.40 -0.11 -0.50 0.00 3.53 0.00 0.00 57.97 60.49 3cfm h PHE 87 Cb 1.29 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3cfm h PHE 87 CO 0.04 1.09 0.08 -1.01 -2.23 0.00 0.00 178.31 176.28 3cfm s HIS 88 N -2.28 3.42 -0.02 0.41 3.76 -1.26 -5.00 115.29 114.31 3cfm s HIS 88 Ca -0.17 1.22 -0.24 0.00 -0.15 0.00 0.00 55.06 55.71 3cfm s HIS 88 Cb -0.02 -2.53 -0.18 0.00 1.11 0.00 0.00 32.58 30.97 3cfm s HIS 88 CO 0.73 0.14 1.14 0.93 -0.85 0.00 0.00 174.74 176.83 3cfm h GLU 89 N 2.45 -0.17 0.00 1.40 4.39 -1.98 -3.34 114.58 117.33 3cfm h GLU 89 Ca -0.48 0.01 -0.33 0.00 0.34 0.00 0.00 59.36 58.90 3cfm h GLU 89 Cb 1.18 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.78 3cfm h GLU 89 CO 0.66 0.25 -0.22 0.72 -1.16 0.00 0.00 179.01 179.26 3cfm n HIS 90 N -4.95 -1.33 -4.31 4.33 -0.00 -1.26 -2.39 115.22 105.31 3cfm n HIS 90 Ca -0.09 -2.50 -0.34 0.00 -0.00 0.00 0.00 57.72 54.79 3cfm n HIS 90 Cb 0.26 0.51 -0.11 0.00 -0.00 0.00 0.00 29.99 30.65 3cfm n HIS 90 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3cfm s ALA 91 N -2.93 3.20 -0.08 -1.41 0.00 -0.42 -4.87 121.76 115.25 3cfm s ALA 91 Ca 0.32 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.49 3cfm s ALA 91 Cb -0.00 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3cfm s ALA 91 CO 0.23 0.36 -0.08 -1.21 0.00 0.00 0.00 175.76 175.06 3cfm s GLU 92 N -0.13 2.87 -0.20 0.00 2.02 -1.26 -0.73 118.70 121.27 3cfm s GLU 92 Ca 0.04 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.46 3cfm s GLU 92 Cb -0.13 -2.61 0.05 0.00 0.10 0.00 0.00 34.13 31.55 3cfm s GLU 92 CO 0.02 0.58 -0.03 0.08 0.02 0.00 0.00 175.26 175.93 3cfm s VAL 93 N -0.59 1.12 -0.13 2.63 1.01 -0.03 -4.98 120.40 119.43 3cfm s VAL 93 Ca 0.09 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3cfm s VAL 93 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.84 3cfm s VAL 93 CO 0.02 -0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.15 3cfm s VAL 94 N 1.60 2.14 -0.02 2.92 1.01 -1.26 -0.31 120.40 126.48 3cfm s VAL 94 Ca -0.03 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 3cfm s VAL 94 Cb -0.17 -1.85 0.05 0.00 0.00 0.00 0.00 36.38 34.41 3cfm s VAL 94 CO -0.07 0.55 0.55 0.72 0.00 0.00 0.00 175.10 176.85 3cfm s PHE 95 N 0.64 -0.49 0.12 5.22 -0.71 -0.40 -4.99 117.98 117.37 3cfm s PHE 95 Ca -0.11 0.78 -0.30 0.00 -1.04 0.00 0.00 56.93 56.26 3cfm s PHE 95 Cb -0.16 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 3cfm s PHE 95 CO 0.02 -0.55 1.00 0.99 -1.34 0.00 0.00 175.22 175.33 3cfm s THR 96 N -1.44 4.36 0.04 -4.49 2.01 -1.26 -0.59 115.64 114.27 3cfm s THR 96 Ca -0.11 1.96 0.07 0.00 0.31 0.00 0.00 61.69 63.93 3cfm s THR 96 Cb -0.02 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 3cfm s THR 96 CO 0.06 0.30 -0.21 0.00 -0.69 0.00 0.00 174.62 174.09 3cfm s ALA 97 N -0.02 1.76 -1.68 7.40 0.00 0.01 -4.85 121.76 124.38 3cfm s ALA 97 Ca 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3cfm s ALA 97 Cb -0.25 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3cfm s ALA 97 CO 0.31 0.40 0.00 0.09 0.00 0.00 0.00 175.76 176.55 3cfm n ASN 98 N 1.85 -5.21 -0.08 0.00 3.02 -1.26 -2.25 115.26 111.32 3cfm n ASN 98 Ca -0.17 0.16 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 3cfm n ASN 98 Cb 0.53 -4.29 0.60 0.00 -0.61 0.00 0.00 39.78 36.01 3cfm n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cfm n ASP 99 N -1.23 0.38 -1.33 6.41 5.75 -1.26 -3.03 116.55 122.24 3cfm n ASP 99 Ca -0.20 -0.40 -0.04 0.00 -0.01 0.00 0.00 54.79 54.14 3cfm n ASP 99 Cb 0.63 -0.11 0.12 0.00 -1.03 0.00 0.00 41.12 40.73 3cfm n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3cfm n SER 100 N -1.08 2.63 0.00 -1.12 7.64 -1.26 -5.10 113.62 115.33 3cfm n SER 100 Ca 0.13 -3.49 0.00 0.00 1.01 0.00 0.00 58.87 56.52 3cfm n SER 100 Cb 0.28 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 3cfm n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfm n GLY 101 N -0.76 0.55 3.75 0.23 0.00 -1.17 -4.98 105.19 102.82 3cfm n GLY 101 Ca 0.24 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3cfm n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cfm s PRO 102 N -1.99 4.12 0.23 1.61 0.04 -1.26 -4.32 135.00 133.42 3cfm s PRO 102 Ca 0.00 2.59 0.03 0.00 0.04 0.00 0.00 61.00 63.66 3cfm s PRO 102 Cb 0.00 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 3cfm s PRO 102 CO 0.00 -0.65 -0.00 1.03 0.04 0.00 0.00 177.00 177.42 3cfm s ARG 103 N -0.41 1.32 -0.17 4.56 1.81 -1.26 -4.56 118.95 120.23 3cfm s ARG 103 Ca 0.64 -1.66 -0.04 0.00 -1.72 0.00 0.00 55.73 52.95 3cfm s ARG 103 Cb -0.48 -0.57 -0.02 0.00 -0.45 0.00 0.00 34.95 33.42 3cfm s ARG 103 CO 0.47 -0.10 -0.04 1.03 -0.68 0.00 0.00 175.30 175.98 3cfm s ARG 104 N -3.87 3.61 -0.13 3.54 0.52 -0.37 -4.85 118.95 117.39 3cfm s ARG 104 Ca 0.28 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3cfm s ARG 104 Cb 0.06 -2.93 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 3cfm s ARG 104 CO 0.08 0.15 -0.14 0.71 0.02 0.00 0.00 175.30 176.12 3cfm s TYR 105 N 0.60 2.79 -0.22 -0.53 1.51 0.81 -1.42 117.35 120.89 3cfm s TYR 105 Ca -0.03 -0.72 -0.04 0.00 -1.01 0.00 0.00 57.07 55.28 3cfm s TYR 105 Cb -0.14 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3cfm s TYR 105 CO 0.02 -0.26 -0.05 0.99 -1.11 0.00 0.00 175.55 175.15 3cfm s THR 106 N 0.41 3.28 -0.38 -0.71 2.01 -0.17 -0.81 115.64 119.27 3cfm s THR 106 Ca -0.11 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 3cfm s THR 106 Cb -0.16 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 69.85 3cfm s THR 106 CO 0.05 0.41 0.28 -0.63 -0.69 0.00 0.00 174.62 174.05 3cfm s ILE 107 N 1.46 5.26 0.02 1.82 -1.09 0.21 -1.21 121.20 127.68 3cfm s ILE 107 Ca 0.05 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.04 3cfm s ILE 107 Cb -0.14 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3cfm s ILE 107 CO -0.04 -0.17 0.15 0.00 -1.23 0.00 0.00 174.94 173.66 3cfm s ALA 108 N 1.72 3.84 -0.00 9.38 0.00 0.08 -1.06 121.76 135.73 3cfm s ALA 108 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3cfm s ALA 108 Cb -0.18 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 3cfm s ALA 108 CO 0.10 0.76 -0.01 0.00 0.00 0.00 0.00 175.76 176.61 3cfm s ALA 109 N -1.35 0.11 -0.21 0.00 0.00 -0.09 -1.50 121.76 118.72 3cfm s ALA 109 Ca 0.28 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3cfm s ALA 109 Cb -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.00 3cfm s ALA 109 CO 0.20 0.02 -0.15 -1.17 0.00 0.00 0.00 175.76 174.66 3cfm s LEU 110 N -0.01 2.66 -0.18 0.00 2.96 -0.11 -1.26 118.68 122.75 3cfm s LEU 110 Ca 0.00 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.95 3cfm s LEU 110 Cb -0.01 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3cfm s LEU 110 CO -0.00 -0.07 0.04 -0.76 -1.32 0.00 0.00 176.35 174.24 3cfm s LEU 111 N 1.24 3.69 0.16 -0.68 1.43 -0.18 -1.67 118.68 122.66 3cfm s LEU 111 Ca 0.00 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3cfm s LEU 111 Cb -0.16 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3cfm s LEU 111 CO -0.09 0.17 -0.15 -0.44 0.23 0.00 0.00 176.35 176.07 3cfm s SER 112 N 0.37 2.33 0.32 2.29 0.01 0.39 -0.57 113.70 118.85 3cfm s SER 112 Ca 0.01 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 56.45 3cfm s SER 112 Cb -0.13 -0.11 0.80 0.00 0.21 0.00 0.00 66.02 66.80 3cfm s SER 112 CO 0.01 -0.14 1.78 -0.65 0.41 0.00 0.00 173.24 174.65 3cfm h PRO 113 N 3.09 0.68 -0.13 12.44 0.11 -1.99 -2.90 132.00 143.31 3cfm h PRO 113 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cfm h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3cfm h PRO 113 CO 0.55 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 3cfm n TYR 114 N -4.73 0.33 -3.57 0.65 4.02 -1.26 -0.96 117.16 111.63 3cfm n TYR 114 Ca 0.23 -0.76 -0.16 0.00 -0.01 0.00 0.00 57.90 57.20 3cfm n TYR 114 Cb 0.61 -0.15 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 3cfm n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3cfm s SER 115 N -1.85 -0.70 0.06 7.72 0.15 -1.09 -4.94 113.70 113.05 3cfm s SER 115 Ca 0.25 1.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.89 3cfm s SER 115 Cb 0.20 0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 65.47 3cfm s SER 115 CO 0.06 -0.44 0.14 -0.72 1.20 0.00 0.00 173.24 173.48 3cfm s TYR 116 N -0.46 0.21 0.22 3.44 -0.85 -1.26 -0.46 117.35 118.18 3cfm s TYR 116 Ca -0.06 -0.60 0.11 0.00 -0.52 0.00 0.00 57.07 56.00 3cfm s TYR 116 Cb -0.02 -0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.14 3cfm s TYR 116 CO 0.06 -0.46 -0.21 -1.54 -1.52 0.00 0.00 175.55 171.88 3cfm s SER 117 N -2.61 3.27 -0.01 -0.18 1.04 -0.67 -4.97 113.70 109.57 3cfm s SER 117 Ca 0.02 -0.94 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 3cfm s SER 117 Cb 0.03 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.91 3cfm s SER 117 CO -0.09 0.03 0.03 0.28 0.98 0.00 0.00 173.24 174.48 3cfm s THR 118 N -2.18 0.00 0.01 2.02 -1.32 -1.26 -0.93 115.64 111.97 3cfm s THR 118 Ca 0.23 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.72 3cfm s THR 118 Cb -0.06 -0.05 -0.01 0.00 -1.51 0.00 0.00 72.50 70.87 3cfm s THR 118 CO 0.11 -0.01 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.55 3cfm s THR 119 N -0.01 0.57 -0.10 5.08 2.01 -0.56 -4.99 115.64 117.65 3cfm s THR 119 Ca -0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3cfm s THR 119 Cb -0.00 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 3cfm s THR 119 CO 0.00 0.02 -0.11 0.00 -0.69 0.00 0.00 174.62 173.85 3cfm s ALA 120 N -0.46 2.76 -0.20 7.40 0.00 -1.26 -0.74 121.76 129.25 3cfm s ALA 120 Ca -0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3cfm s ALA 120 Cb -0.04 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3cfm s ALA 120 CO 0.00 0.40 -0.10 0.08 0.00 0.00 0.00 175.76 176.14 3cfm s VAL 121 N -0.19 2.92 -0.13 0.00 1.01 -0.35 -4.99 120.40 118.67 3cfm s VAL 121 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3cfm s VAL 121 Cb -0.13 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 3cfm s VAL 121 CO 0.03 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 3cfm s VAL 122 N 1.38 2.42 0.14 2.92 1.01 -1.26 -1.00 120.40 126.00 3cfm s VAL 122 Ca 0.05 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3cfm s VAL 122 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3cfm s VAL 122 CO -0.06 0.54 -0.16 0.42 0.00 0.00 0.00 175.10 175.84 3cfm s THR 123 N 0.54 1.55 -0.36 3.92 -4.23 -0.50 -4.98 115.64 111.57 3cfm s THR 123 Ca -0.12 -1.78 -0.13 0.00 -1.18 0.00 0.00 61.69 58.48 3cfm s THR 123 Cb -0.16 -1.65 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 3cfm s THR 123 CO 0.04 -0.35 0.24 0.21 -0.54 0.00 0.00 174.62 174.22 3cfm s ASN 124 N -2.50 5.95 0.00 3.99 3.84 -1.26 -1.24 114.94 123.72 3cfm s ASN 124 Ca 0.11 -0.63 0.12 0.00 0.21 0.00 0.00 52.86 52.67 3cfm s ASN 124 Cb -0.06 -2.11 0.74 0.00 -0.55 0.00 0.00 41.25 39.27 3cfm s ASN 124 CO 0.04 -0.30 1.17 -0.81 -2.79 0.00 0.00 177.10 174.41