#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tha h PRO 11 N 0.00 0.00 -3.11 0.00 0.13 -1.83 -3.44 132.00 123.75 1tha h PRO 11 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.88 1tha h PRO 11 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 1tha h PRO 11 CO 0.00 0.00 -0.58 -1.17 -0.23 0.00 0.00 178.00 176.02 1tha s LEU 12 N -5.06 0.28 0.03 1.56 2.96 -1.26 -2.20 118.68 114.99 1tha s LEU 12 Ca 0.03 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1tha s LEU 12 Cb 0.09 0.45 -0.02 0.00 0.50 0.00 0.00 46.19 47.21 1tha s LEU 12 CO 0.43 -0.19 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.87 1tha s MET 13 N 1.71 0.54 -0.04 1.98 -2.45 -0.54 -4.20 119.30 116.31 1tha s MET 13 Ca -0.04 -0.64 0.05 0.00 -1.25 0.00 0.00 55.69 53.81 1tha s MET 13 Cb -0.12 -0.37 -0.01 0.00 1.25 0.00 0.00 34.83 35.59 1tha s MET 13 CO -0.07 0.08 -0.18 0.08 1.05 0.00 0.00 175.02 175.98 1tha s VAL 14 N -1.07 1.46 -0.08 10.11 1.01 -0.89 -1.01 120.40 129.94 1tha s VAL 14 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1tha s VAL 14 Cb -0.08 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1tha s VAL 14 CO 0.00 0.42 -0.05 -0.75 0.00 0.00 0.00 175.10 174.72 1tha s LYS 15 N -0.07 1.13 -0.06 2.72 2.20 -0.77 -0.45 119.74 124.45 1tha s LYS 15 Ca -0.02 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1tha s LYS 15 Cb -0.11 -1.21 0.00 0.00 -1.51 0.00 0.00 37.83 35.01 1tha s LYS 15 CO 0.02 -0.19 -0.17 0.08 -0.36 0.00 0.00 175.35 174.73 1tha s VAL 16 N 1.42 1.45 0.23 4.02 1.01 0.02 -2.06 120.40 126.49 1tha s VAL 16 Ca -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1tha s VAL 16 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1tha s VAL 16 CO -0.04 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.51 1tha s LEU 17 N 0.35 2.50 -0.25 3.92 1.43 -0.27 -0.41 118.68 125.95 1tha s LEU 17 Ca -0.11 -0.94 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1tha s LEU 17 Cb -0.15 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 1tha s LEU 17 CO 0.04 0.08 0.04 -0.62 0.23 0.00 0.00 176.35 176.12 1tha s ASP 18 N -3.04 4.89 0.17 2.29 -1.08 0.13 -0.95 116.67 119.08 1tha s ASP 18 Ca 0.24 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.19 1tha s ASP 18 Cb -0.06 -1.86 0.70 0.00 -1.46 0.00 0.00 42.92 40.24 1tha s ASP 18 CO 0.12 -0.06 1.65 0.00 0.52 0.00 0.00 175.17 177.41 1tha n ALA 19 N 4.88 2.49 0.05 3.66 0.00 -0.48 -1.72 120.51 129.39 1tha n ALA 19 Ca -0.16 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1tha n ALA 19 Cb 0.51 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.43 1tha n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tha h VAL 20 N 0.00 1.11 -0.01 0.00 2.07 -1.95 -3.39 116.25 114.08 1tha h VAL 20 Ca 0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1tha h VAL 20 Cb 0.72 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1tha h VAL 20 CO 0.00 0.76 -0.38 0.54 0.02 0.00 0.00 177.57 178.52 1tha n ARG 21 N -3.83 1.99 -3.26 1.57 1.74 -1.25 -5.02 116.66 108.60 1tha n ARG 21 Ca -0.22 -0.56 -0.15 0.00 -0.77 0.00 0.00 57.85 56.15 1tha n ARG 21 Cb 0.97 -1.19 0.08 0.00 -1.02 0.00 0.00 32.46 31.29 1tha n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tha n GLY 22 N 1.13 -0.35 3.39 -0.13 0.00 -0.70 -5.02 105.19 103.51 1tha n GLY 22 Ca 0.05 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1tha n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tha s SER 23 N -4.12 -0.12 0.84 1.61 1.04 -1.05 -5.00 113.70 106.89 1tha s SER 23 Ca 0.04 -0.59 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 1tha s SER 23 Cb -0.01 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.68 1tha s SER 23 CO 0.65 -0.93 1.06 -0.81 0.98 0.00 0.00 173.24 174.20 1tha n PRO 24 N -0.25 0.03 -3.44 4.02 -0.04 -1.26 0.18 135.00 134.24 1tha n PRO 24 Ca -0.11 0.08 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 1tha n PRO 24 Cb 0.63 -2.32 -0.08 0.00 -0.04 0.00 0.00 33.50 31.69 1tha n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1tha s ALA 25 N -2.22 3.49 0.17 0.55 0.00 0.45 -4.51 121.76 119.69 1tha s ALA 25 Ca 0.70 -2.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1tha s ALA 25 Cb -0.28 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1tha s ALA 25 CO 0.54 -1.74 0.35 -1.50 0.00 0.00 0.00 175.76 173.42 1tha s ILE 26 N 1.57 5.23 -1.40 0.00 -1.16 -1.26 -4.38 121.20 119.81 1tha s ILE 26 Ca 0.04 -0.34 -0.03 0.00 -0.51 0.00 0.00 60.65 59.80 1tha s ILE 26 Cb -0.25 -3.70 0.00 0.00 0.61 0.00 0.00 42.46 39.12 1tha s ILE 26 CO 0.05 -0.09 0.43 0.59 -2.81 0.00 0.00 174.94 173.11 1tha n ASN 27 N -0.42 -5.51 -4.67 4.50 3.02 -0.42 -4.93 115.26 106.83 1tha n ASN 27 Ca -0.05 -0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 53.91 1tha n ASN 27 Cb 0.53 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 1tha n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tha s VAL 28 N -3.06 5.10 0.13 2.41 1.01 -1.26 -4.78 120.40 119.95 1tha s VAL 28 Ca 0.21 1.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.92 1tha s VAL 28 Cb -0.09 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1tha s VAL 28 CO 0.26 0.18 0.85 0.00 0.00 0.00 0.00 175.10 176.40 1tha s ALA 29 N 1.56 3.35 -0.05 5.51 0.00 -1.26 -0.81 121.76 130.05 1tha s ALA 29 Ca 0.25 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1tha s ALA 29 Cb -0.15 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1tha s ALA 29 CO 0.10 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 176.02 1tha s VAL 30 N -0.53 0.61 -0.08 0.00 1.01 0.01 0.04 120.40 121.46 1tha s VAL 30 Ca 0.41 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.27 1tha s VAL 30 Cb -0.23 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1tha s VAL 30 CO 0.27 0.25 -0.17 -1.00 0.00 0.00 0.00 175.10 174.45 1tha s HIS 31 N 1.05 2.66 -0.04 5.22 3.76 -0.55 -2.05 115.29 125.35 1tha s HIS 31 Ca -0.09 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 1tha s HIS 31 Cb -0.14 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 1tha s HIS 31 CO -0.01 -0.09 -0.03 0.08 -0.85 0.00 0.00 174.74 173.84 1tha s VAL 32 N -0.14 4.01 0.03 -0.90 1.01 0.17 -1.22 120.40 123.37 1tha s VAL 32 Ca -0.02 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1tha s VAL 32 Cb -0.14 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1tha s VAL 32 CO 0.04 0.51 -0.14 -0.36 0.00 0.00 0.00 175.10 175.14 1tha s PHE 33 N -0.94 1.25 -0.04 5.22 0.08 0.22 -1.42 117.98 122.34 1tha s PHE 33 Ca 0.15 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.93 1tha s PHE 33 Cb -0.11 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 1tha s PHE 33 CO 0.05 0.03 -0.24 0.50 -0.10 0.00 0.00 175.22 175.46 1tha s ARG 34 N -1.06 2.38 0.09 0.44 3.52 -0.59 -0.08 118.95 123.65 1tha s ARG 34 Ca 0.02 -0.89 -0.31 0.00 -0.13 0.00 0.00 55.73 54.42 1tha s ARG 34 Cb -0.08 -2.14 -0.08 0.00 -1.56 0.00 0.00 34.95 31.10 1tha s ARG 34 CO 0.01 0.48 1.43 0.21 -0.81 0.00 0.00 175.30 176.62 1tha s LYS 35 N -0.40 4.29 0.39 5.12 2.47 -0.09 -1.01 119.74 130.52 1tha s LYS 35 Ca 0.03 2.10 0.05 0.00 -1.56 0.00 0.00 55.97 56.60 1tha s LYS 35 Cb -0.12 -3.33 -0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1tha s LYS 35 CO 0.01 -0.50 0.55 0.00 0.16 0.00 0.00 175.35 175.57 1tha s ALA 36 N 1.49 4.16 0.23 3.13 0.00 -0.33 -4.76 121.76 125.68 1tha s ALA 36 Ca 0.66 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 1tha s ALA 36 Cb -0.37 -1.79 0.30 0.00 0.00 0.00 0.00 23.12 21.27 1tha s ALA 36 CO 0.30 -0.19 1.43 0.00 0.00 0.00 0.00 175.76 177.29 1tha n ALA 37 N -1.81 0.02 0.27 0.00 0.00 -1.26 0.20 120.51 117.93 1tha n ALA 37 Ca 0.02 0.96 0.12 0.00 0.00 0.00 0.00 53.44 54.54 1tha n ALA 37 Cb 0.58 -0.49 0.78 0.00 0.00 0.00 0.00 19.45 20.32 1tha n ALA 37 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1tha h ASP 38 N 0.00 0.00 0.00 0.00 5.19 -2.02 -3.45 116.42 116.13 1tha h ASP 38 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 1tha h ASP 38 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 1tha h ASP 38 CO -0.93 0.06 0.00 0.47 -3.12 0.00 0.00 179.24 175.72 1tha n ASP 39 N -3.92 -1.55 -2.47 6.45 9.92 0.52 -5.06 116.55 120.44 1tha n ASP 39 Ca -0.03 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.18 1tha n ASP 39 Cb 0.15 -0.26 0.03 0.00 -0.64 0.00 0.00 41.12 40.40 1tha n ASP 39 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1tha n THR 40 N -2.52 0.00 -4.07 -3.53 -2.24 -1.25 -4.76 114.28 95.92 1tha n THR 40 Ca 0.00 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1tha n THR 40 Cb 0.00 -1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 66.59 1tha n THR 40 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1tha s TRP 41 N -0.81 2.85 -0.12 4.78 0.52 -1.26 -1.19 118.94 123.71 1tha s TRP 41 Ca 0.14 -1.54 -0.06 0.00 0.02 0.00 0.00 56.10 54.66 1tha s TRP 41 Cb -0.01 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1tha s TRP 41 CO 0.09 -0.76 0.08 -1.83 0.02 0.00 0.00 176.95 174.55 1tha s GLU 42 N 1.32 3.42 0.48 4.98 -1.05 -0.18 -4.89 118.70 122.78 1tha s GLU 42 Ca 0.04 -0.26 -0.23 0.00 -0.15 0.00 0.00 54.97 54.37 1tha s GLU 42 Cb -0.14 -3.07 -0.08 0.00 -0.44 0.00 0.00 34.13 30.40 1tha s GLU 42 CO -0.10 0.64 1.12 -2.30 0.95 0.00 0.00 175.26 175.57 1tha n PRO 43 N 2.39 1.45 0.07 -4.83 -0.02 -1.26 -1.54 135.00 131.26 1tha n PRO 43 Ca -0.19 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1tha n PRO 43 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1tha n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1tha n PHE 44 N -0.78 -1.09 -3.95 6.00 7.35 -0.51 -4.79 117.46 119.69 1tha n PHE 44 Ca 0.10 0.19 -0.09 0.00 -0.76 0.00 0.00 57.45 56.89 1tha n PHE 44 Cb 0.42 0.37 -0.09 0.00 0.35 0.00 0.00 39.48 40.53 1tha n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1tha s ALA 45 N -2.00 0.04 -0.12 3.13 0.00 -1.23 -5.01 121.76 116.58 1tha s ALA 45 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 1tha s ALA 45 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.53 1tha s ALA 45 CO 0.00 -0.39 0.76 0.45 0.00 0.00 0.00 175.76 176.58 1tha s SER 46 N -2.57 -0.61 0.04 0.00 0.15 -1.26 -0.65 113.70 108.80 1tha s SER 46 Ca 0.01 0.78 -0.22 0.00 0.70 0.00 0.00 55.95 57.23 1tha s SER 46 Cb 0.03 0.66 0.07 0.00 -1.71 0.00 0.00 66.02 65.08 1tha s SER 46 CO -0.08 -0.48 1.00 0.61 1.20 0.00 0.00 173.24 175.49 1tha n GLY 47 N 1.23 0.43 3.05 9.45 0.00 -0.87 -5.03 105.19 113.46 1tha n GLY 47 Ca -0.16 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 1tha n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tha s LYS 48 N -2.02 1.87 0.52 1.61 1.02 -1.26 -0.81 119.74 120.66 1tha s LYS 48 Ca 0.23 -0.48 -0.23 0.00 0.02 0.00 0.00 55.97 55.52 1tha s LYS 48 Cb -0.01 -1.52 -0.06 0.00 -0.52 0.00 0.00 37.83 35.72 1tha s LYS 48 CO 0.01 0.06 1.34 0.95 -0.92 0.00 0.00 175.35 176.79 1tha s THR 49 N 0.59 2.24 0.32 2.17 -4.23 0.01 -4.83 115.64 111.90 1tha s THR 49 Ca -0.15 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.50 1tha s THR 49 Cb -0.16 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.66 1tha s THR 49 CO 0.04 0.00 0.38 -1.54 -0.54 0.00 0.00 174.62 172.97 1tha n SER 50 N -0.80 -0.36 0.27 3.99 3.41 -0.26 -1.30 113.62 118.58 1tha n SER 50 Ca 0.09 -1.02 0.18 0.00 -0.26 0.00 0.00 58.87 57.86 1tha n SER 50 Cb 0.45 -0.31 0.94 0.00 -0.26 0.00 0.00 64.21 65.03 1tha n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1tha h GLU 51 N 0.00 0.00 -0.71 4.33 4.39 -1.94 -0.29 114.58 120.36 1tha h GLU 51 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1tha h GLU 51 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1tha h GLU 51 CO 0.09 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.81 1tha n SER 52 N -3.57 4.43 -1.46 1.42 3.41 -1.26 -4.80 113.62 111.79 1tha n SER 52 Ca -0.01 -2.23 -0.16 0.00 -0.26 0.00 0.00 58.87 56.21 1tha n SER 52 Cb 0.22 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1tha n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tha n GLY 53 N 1.43 0.96 3.54 5.00 0.00 -0.12 -4.84 105.19 111.15 1tha n GLY 53 Ca 0.26 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1tha n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tha s GLU 54 N -3.88 1.95 -0.08 1.61 2.02 -1.26 -0.80 118.70 118.26 1tha s GLU 54 Ca 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 54.97 53.79 1tha s GLU 54 Cb 0.00 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 32.10 1tha s GLU 54 CO 0.00 0.47 0.01 -1.17 0.02 0.00 0.00 175.26 174.59 1tha s LEU 55 N -2.42 0.60 0.09 1.80 0.20 0.41 -1.10 118.68 118.26 1tha s LEU 55 Ca 0.21 -0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.88 1tha s LEU 55 Cb -0.10 -0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 45.19 1tha s LEU 55 CO 0.13 -0.21 -0.03 -1.00 -0.29 0.00 0.00 176.35 174.94 1tha s HIS 56 N 1.98 0.75 -0.43 5.38 3.76 -1.26 -2.10 115.29 123.36 1tha s HIS 56 Ca 0.04 -1.03 -0.00 0.00 -0.15 0.00 0.00 55.06 53.92 1tha s HIS 56 Cb -0.13 -0.47 -0.00 0.00 1.11 0.00 0.00 32.58 33.09 1tha s HIS 56 CO -0.05 -0.30 0.36 0.41 -0.85 0.00 0.00 174.74 174.31 1tha n GLY 57 N 0.00 0.15 0.07 -2.22 0.00 -1.26 -4.94 105.19 96.99 1tha n GLY 57 Ca -0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1tha n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1tha h LEU 58 N -0.68 0.01 0.00 0.99 3.38 -1.90 -3.49 115.31 113.63 1tha h LEU 58 Ca -0.21 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1tha h LEU 58 Cb 1.12 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1tha h LEU 58 CO 0.18 1.02 0.19 1.07 0.09 0.00 0.00 178.44 180.99 1tha n THR 59 N -3.23 0.00 -4.37 0.22 5.66 -1.26 -4.72 114.28 106.58 1tha n THR 59 Ca -0.07 -1.08 -0.19 0.00 -3.05 0.00 0.00 64.05 59.65 1tha n THR 59 Cb 0.99 0.96 -0.10 0.00 -1.55 0.00 0.00 70.33 70.63 1tha n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1tha s THR 60 N -2.26 1.66 0.45 1.09 -4.23 -1.26 -4.45 115.64 106.63 1tha s THR 60 Ca 0.17 -2.17 0.22 0.00 -1.18 0.00 0.00 61.69 58.74 1tha s THR 60 Cb -0.04 -2.21 0.25 0.00 1.34 0.00 0.00 72.50 71.84 1tha s THR 60 CO 0.13 -0.47 2.06 -0.33 -0.54 0.00 0.00 174.62 175.47 1tha h GLU 61 N 2.45 0.00 -0.06 3.99 5.08 -1.99 -0.01 114.58 124.05 1tha h GLU 61 Ca -0.39 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.75 1tha h GLU 61 Cb 1.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.49 1tha h GLU 61 CO 0.64 0.13 -0.83 1.05 -1.00 0.00 0.00 179.01 179.00 1tha h GLU 62 N 0.00 0.66 0.00 2.33 4.11 -2.05 -3.31 114.58 116.32 1tha h GLU 62 Ca -0.00 -0.64 -0.16 0.00 0.07 0.00 0.00 59.36 58.63 1tha h GLU 62 Cb 0.29 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1tha h GLU 62 CO 0.02 1.24 -0.76 0.37 0.07 0.00 0.00 179.01 179.95 1tha h GLN 63 N 0.32 0.00 -5.64 1.06 4.15 -1.92 -3.40 115.11 109.68 1tha h GLN 63 Ca -0.09 0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.64 1tha h GLN 63 Cb 1.49 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.08 1tha h GLN 63 CO 0.17 0.76 2.03 0.12 -1.93 0.00 0.00 178.83 179.98 1tha s PHE 64 N -2.94 2.92 0.42 3.99 5.36 -0.04 -4.96 117.98 122.74 1tha s PHE 64 Ca 0.02 -1.73 0.04 0.00 -0.96 0.00 0.00 56.93 54.30 1tha s PHE 64 Cb 0.10 -4.67 0.01 0.00 -0.34 0.00 0.00 43.02 38.11 1tha s PHE 64 CO 0.78 -1.73 0.60 0.14 -1.46 0.00 0.00 175.22 173.55 1tha s VAL 65 N 3.70 3.52 0.32 3.12 -7.23 -1.26 -4.85 120.40 117.71 1tha s VAL 65 Ca 0.52 -0.82 -0.28 0.00 -1.81 0.00 0.00 61.98 59.59 1tha s VAL 65 Cb 0.03 -3.25 -0.13 0.00 0.56 0.00 0.00 36.38 33.59 1tha s VAL 65 CO 0.06 -0.13 1.12 -0.62 -0.31 0.00 0.00 175.10 175.22 1tha n GLU 66 N -1.93 1.65 -3.37 4.82 1.02 -1.26 -4.87 120.64 116.71 1tha n GLU 66 Ca 0.04 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1tha n GLU 66 Cb 0.59 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1tha n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tha n GLY 67 N 1.04 -1.23 3.60 0.62 0.00 -1.26 -4.98 105.19 102.99 1tha n GLY 67 Ca 0.08 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 1tha n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tha s ILE 68 N -2.68 4.71 0.20 -0.61 1.01 -1.26 -1.26 121.20 121.32 1tha s ILE 68 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.71 1tha s ILE 68 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1tha s ILE 68 CO 0.00 0.44 -0.23 -0.31 0.00 0.00 0.00 174.94 174.84 1tha s TYR 69 N 0.57 2.32 -0.08 3.97 1.51 -0.54 -0.91 117.35 124.19 1tha s TYR 69 Ca 0.03 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1tha s TYR 69 Cb -0.13 -1.13 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1tha s TYR 69 CO 0.01 0.53 -0.14 0.21 -1.11 0.00 0.00 175.55 175.05 1tha s LYS 70 N -2.78 1.97 -0.27 -0.62 2.20 0.88 -2.31 119.74 118.81 1tha s LYS 70 Ca 0.22 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1tha s LYS 70 Cb -0.08 -1.62 0.04 0.00 -1.51 0.00 0.00 37.83 34.66 1tha s LYS 70 CO 0.11 0.02 -0.05 0.08 -0.36 0.00 0.00 175.35 175.15 1tha s VAL 71 N 0.71 2.81 -0.24 4.02 1.01 0.32 0.69 120.40 129.72 1tha s VAL 71 Ca -0.13 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.57 1tha s VAL 71 Cb -0.16 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1tha s VAL 71 CO 0.03 0.07 -0.00 -0.70 0.00 0.00 0.00 175.10 174.49 1tha s GLU 72 N 1.27 3.36 -0.30 2.72 2.12 -0.36 0.63 118.70 128.14 1tha s GLU 72 Ca -0.03 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.55 1tha s GLU 72 Cb -0.18 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1tha s GLU 72 CO -0.03 -0.24 0.18 0.42 -0.54 0.00 0.00 175.26 175.05 1tha s ILE 73 N 1.50 4.99 -1.27 -3.70 1.01 -0.22 -1.48 121.20 122.03 1tha s ILE 73 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 1tha s ILE 73 Cb -0.15 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1tha s ILE 73 CO -0.01 0.13 1.89 -0.67 0.00 0.00 0.00 174.94 176.28 1tha n ASP 74 N 5.04 4.17 0.05 3.58 2.03 0.11 -1.52 116.55 130.01 1tha n ASP 74 Ca -0.14 -2.84 -0.06 0.00 0.52 0.00 0.00 54.79 52.27 1tha n ASP 74 Cb 0.50 -1.68 0.12 0.00 -0.72 0.00 0.00 41.12 39.34 1tha n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tha h THR 75 N 5.26 1.35 -0.11 5.18 1.35 -1.86 -3.27 112.91 120.80 1tha h THR 75 Ca 0.43 -1.82 -0.06 0.00 -0.55 0.00 0.00 66.41 64.41 1tha h THR 75 Cb 0.82 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 1tha h THR 75 CO 1.55 0.55 -0.21 0.50 -0.25 0.00 0.00 175.52 177.66 1tha h LYS 76 N 0.28 0.19 -0.44 4.72 3.64 -1.76 -2.39 116.57 120.81 1tha h LYS 76 Ca 0.01 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1tha h LYS 76 Cb 1.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1tha h LYS 76 CO 0.09 0.40 0.12 0.77 -2.27 0.00 0.00 179.45 178.56 1tha h SER 77 N 0.18 0.66 -0.19 4.20 0.02 -1.88 -2.15 113.55 114.39 1tha h SER 77 Ca 0.03 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1tha h SER 77 Cb 0.48 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1tha h SER 77 CO 0.03 0.70 0.12 0.22 -1.14 0.00 0.00 176.83 176.77 1tha h TYR 78 N 0.58 0.24 -0.28 3.45 3.20 -1.51 -2.76 116.97 119.90 1tha h TYR 78 Ca 0.14 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.83 1tha h TYR 78 Cb 0.29 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 1tha h TYR 78 CO 0.02 0.17 -0.54 -1.49 -1.64 0.00 0.00 178.16 174.68 1tha h TRP 79 N 0.25 1.04 -0.70 -3.82 4.06 -1.35 -3.12 115.95 112.30 1tha h TRP 79 Ca 0.07 -0.37 0.13 0.00 2.06 0.00 0.00 58.89 60.78 1tha h TRP 79 Cb -0.01 -0.20 -0.09 0.00 -1.00 0.00 0.00 29.16 27.87 1tha h TRP 79 CO -0.06 1.18 0.26 0.87 -3.56 0.00 0.00 178.44 177.13 1tha h LYS 80 N 0.64 0.40 0.00 0.49 1.57 -1.40 0.14 116.57 118.40 1tha h LYS 80 Ca 0.02 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1tha h LYS 80 Cb 1.14 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1tha h LYS 80 CO 0.12 0.26 -0.01 0.00 -0.57 0.00 0.00 179.45 179.25 1tha h ALA 81 N 1.51 1.18 -0.02 3.86 0.00 -1.43 0.27 119.26 124.63 1tha h ALA 81 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1tha h ALA 81 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1tha h ALA 81 CO -0.38 0.02 -0.33 1.28 0.00 0.00 0.00 179.25 179.83 1tha n LEU 82 N -3.36 2.31 0.00 0.00 4.32 0.39 -4.97 117.00 115.69 1tha n LEU 82 Ca -0.03 -0.83 0.00 0.00 -0.02 0.00 0.00 56.01 55.13 1tha n LEU 82 Cb 0.11 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1tha n LEU 82 CO 0.24 0.41 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 1tha n GLY 83 N 1.39 0.42 3.34 -0.72 0.00 0.08 -5.04 105.19 104.65 1tha n GLY 83 Ca 0.11 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1tha n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tha s ILE 84 N -2.00 2.92 -0.41 -0.61 1.01 -0.66 -5.01 121.20 116.44 1tha s ILE 84 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 1tha s ILE 84 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.27 1tha s ILE 84 CO 0.00 0.52 1.03 -0.55 0.00 0.00 0.00 174.94 175.94 1tha s SER 85 N 0.46 6.68 0.60 3.58 0.15 -1.26 -3.42 113.70 120.50 1tha s SER 85 Ca -0.10 0.56 -0.05 0.00 0.70 0.00 0.00 55.95 57.06 1tha s SER 85 Cb -0.16 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1tha s SER 85 CO 0.05 -1.03 0.90 -2.16 1.20 0.00 0.00 173.24 172.20 1tha s PRO 86 N 3.88 2.68 -0.20 5.44 0.04 -1.26 -4.92 135.00 140.67 1tha s PRO 86 Ca 0.43 -0.21 -0.21 0.00 0.04 0.00 0.00 61.00 61.04 1tha s PRO 86 Cb -0.10 -2.30 -0.19 0.00 0.04 0.00 0.00 34.50 31.96 1tha s PRO 86 CO 0.24 -0.81 0.24 0.35 0.04 0.00 0.00 177.00 177.05 1tha h PHE 87 N -0.21 0.00 -3.78 0.56 3.57 -1.57 -3.48 116.94 112.03 1tha h PHE 87 Ca -0.45 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.55 1tha h PHE 87 Cb 1.28 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.04 1tha h PHE 87 CO 0.42 1.34 0.49 -1.01 -2.23 0.00 0.00 178.31 177.31 1tha s HIS 88 N -2.33 3.55 0.10 0.41 3.76 -1.26 -4.97 115.29 114.54 1tha s HIS 88 Ca -0.27 1.67 -0.14 0.00 -0.15 0.00 0.00 55.06 56.17 1tha s HIS 88 Cb 0.05 -3.31 -0.13 0.00 1.11 0.00 0.00 32.58 30.30 1tha s HIS 88 CO 0.57 -0.65 1.34 0.93 -0.85 0.00 0.00 174.74 176.08 1tha h GLU 89 N 3.94 0.77 -1.78 1.40 4.39 -1.98 -3.38 114.58 117.94 1tha h GLU 89 Ca -0.47 -0.55 0.28 0.00 0.34 0.00 0.00 59.36 58.96 1tha h GLU 89 Cb 1.21 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 29.85 1tha h GLU 89 CO 0.68 1.17 0.72 -3.38 -1.16 0.00 0.00 179.01 177.04 1tha s HIS 90 N -3.94 -0.06 -0.15 4.33 -3.43 -1.26 -3.74 115.29 107.04 1tha s HIS 90 Ca -0.11 -0.12 -0.02 0.00 -0.80 0.00 0.00 55.06 54.01 1tha s HIS 90 Cb 0.09 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.79 1tha s HIS 90 CO 0.88 -0.46 -0.07 0.00 -2.00 0.00 0.00 174.74 173.08 1tha s ALA 91 N -2.65 2.84 -0.02 -1.38 0.00 -0.58 -4.91 121.76 115.07 1tha s ALA 91 Ca 0.15 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1tha s ALA 91 Cb 0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1tha s ALA 91 CO -0.02 0.20 -0.17 -1.21 0.00 0.00 0.00 175.76 174.57 1tha s GLU 92 N 0.40 2.34 -0.07 0.00 2.02 -1.26 -1.06 118.70 121.07 1tha s GLU 92 Ca -0.07 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.16 1tha s GLU 92 Cb -0.15 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.81 1tha s GLU 92 CO 0.04 0.59 -0.15 0.08 0.02 0.00 0.00 175.26 175.84 1tha s VAL 93 N -0.76 1.36 -0.09 2.63 1.01 0.21 -4.97 120.40 119.79 1tha s VAL 93 Ca 0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1tha s VAL 93 Cb -0.10 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1tha s VAL 93 CO 0.01 0.40 -0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1tha s VAL 94 N 0.51 0.63 0.13 2.92 1.01 -1.26 -0.53 120.40 123.81 1tha s VAL 94 Ca -0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1tha s VAL 94 Cb -0.16 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1tha s VAL 94 CO 0.05 0.30 0.21 0.72 0.00 0.00 0.00 175.10 176.38 1tha s PHE 95 N 1.86 0.37 -0.16 5.22 -0.71 -0.98 -5.03 117.98 118.55 1tha s PHE 95 Ca 0.05 -0.77 -0.15 0.00 -1.04 0.00 0.00 56.93 55.01 1tha s PHE 95 Cb -0.12 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1tha s PHE 95 CO -0.06 -0.62 0.36 0.99 -1.34 0.00 0.00 175.22 174.55 1tha s THR 96 N -3.94 5.26 -0.69 -4.49 2.01 -1.26 -1.47 115.64 111.05 1tha s THR 96 Ca 0.13 0.69 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 1tha s THR 96 Cb 0.05 -3.70 0.24 0.00 0.01 0.00 0.00 72.50 69.09 1tha s THR 96 CO -0.04 0.35 2.32 0.00 -0.69 0.00 0.00 174.62 176.56 1tha n ALA 97 N 3.75 6.50 -1.27 7.40 0.00 -0.39 -4.61 120.51 131.89 1tha n ALA 97 Ca -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.65 1tha n ALA 97 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1tha n ALA 97 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tha n ASN 98 N 0.02 0.00 0.00 0.00 3.02 -1.26 -4.20 115.26 112.84 1tha n ASN 98 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1tha n ASN 98 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1tha n ASN 98 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1tha n ASP 99 N 0.00 0.00 -0.01 6.41 9.92 -1.26 -2.31 116.55 129.29 1tha n ASP 99 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1tha n ASP 99 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1tha n ASP 99 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1tha n SER 100 N 2.41 0.79 -0.72 -2.24 3.41 -1.26 -5.09 113.62 110.93 1tha n SER 100 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1tha n SER 100 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1tha n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tha n GLY 101 N 2.37 3.33 3.76 5.00 0.00 -0.98 -5.13 105.19 113.55 1tha n GLY 101 Ca -0.04 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1tha n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tha s PRO 102 N -1.15 3.69 0.00 1.61 0.02 -1.24 -4.62 135.00 133.31 1tha s PRO 102 Ca 0.00 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.04 1tha s PRO 102 Cb 0.00 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 32.02 1tha s PRO 102 CO 0.00 -0.68 0.00 -2.13 -0.33 0.00 0.00 177.00 173.86 1tha n ARG 103 N -0.39 0.00 -3.56 5.54 3.00 -1.26 -5.09 116.66 114.90 1tha n ARG 103 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.64 1tha n ARG 103 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.76 1tha n ARG 103 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1tha s ARG 104 N 2.71 0.16 -0.19 -0.14 1.81 -1.22 -4.67 118.95 117.40 1tha s ARG 104 Ca 0.00 -0.37 -0.04 0.00 -1.72 0.00 0.00 55.73 53.60 1tha s ARG 104 Cb 0.00 -1.34 -0.02 0.00 -0.45 0.00 0.00 34.95 33.14 1tha s ARG 104 CO 0.00 -0.91 -0.03 0.71 -0.68 0.00 0.00 175.30 174.39 1tha s TYR 105 N 2.12 2.99 -0.19 -0.53 2.02 -0.93 -2.43 117.35 120.41 1tha s TYR 105 Ca 0.07 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1tha s TYR 105 Cb -0.16 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.40 1tha s TYR 105 CO -0.28 -0.26 -0.15 0.99 -1.57 0.00 0.00 175.55 174.28 1tha s THR 106 N 0.88 1.86 -0.28 -0.71 2.01 -0.90 -1.46 115.64 117.03 1tha s THR 106 Ca -0.00 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 60.93 1tha s THR 106 Cb -0.15 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1tha s THR 106 CO 0.01 0.36 0.15 -0.63 -0.69 0.00 0.00 174.62 173.83 1tha s ILE 107 N 1.34 4.87 0.11 1.82 -1.09 -0.18 -0.06 121.20 128.02 1tha s ILE 107 Ca 0.02 -0.07 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 1tha s ILE 107 Cb -0.15 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1tha s ILE 107 CO -0.10 0.23 -0.26 0.00 -1.23 0.00 0.00 174.94 173.58 1tha s ALA 108 N 1.69 2.25 -0.05 9.38 0.00 -0.91 -1.84 121.76 132.27 1tha s ALA 108 Ca 0.06 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1tha s ALA 108 Cb -0.16 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1tha s ALA 108 CO 0.08 0.51 0.12 0.00 0.00 0.00 0.00 175.76 176.46 1tha s ALA 109 N -1.05 -0.25 -0.13 0.00 0.00 -0.87 -1.96 121.76 117.50 1tha s ALA 109 Ca 0.12 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1tha s ALA 109 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 1tha s ALA 109 CO 0.05 -0.09 -0.18 -1.17 0.00 0.00 0.00 175.76 174.37 1tha s LEU 110 N 0.45 2.36 0.02 0.00 2.96 -0.88 -1.12 118.68 122.48 1tha s LEU 110 Ca -0.03 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1tha s LEU 110 Cb -0.05 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1tha s LEU 110 CO -0.02 0.12 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.20 1tha s LEU 111 N 0.59 2.66 0.09 -0.68 1.43 -0.12 -2.42 118.68 120.24 1tha s LEU 111 Ca -0.10 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1tha s LEU 111 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1tha s LEU 111 CO 0.03 0.28 -0.10 -0.44 0.23 0.00 0.00 176.35 176.35 1tha s SER 112 N -1.28 1.39 0.27 2.29 0.01 -0.01 -1.38 113.70 114.98 1tha s SER 112 Ca 0.14 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 56.59 1tha s SER 112 Cb -0.11 0.02 0.55 0.00 0.21 0.00 0.00 66.02 66.69 1tha s SER 112 CO 0.04 -0.27 1.77 -0.65 0.41 0.00 0.00 173.24 174.54 1tha h PRO 113 N 3.58 0.65 -0.50 12.44 0.11 -2.00 -2.93 132.00 143.35 1tha h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tha h PRO 113 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1tha h PRO 113 CO 0.53 0.43 0.00 0.66 -0.21 0.00 0.00 178.00 179.41 1tha n TYR 114 N -4.84 0.68 -3.82 0.65 4.02 -1.26 -1.34 117.16 111.25 1tha n TYR 114 Ca 0.18 -0.51 -0.09 0.00 -0.01 0.00 0.00 57.90 57.47 1tha n TYR 114 Cb 0.44 -0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 1tha n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1tha s SER 115 N -1.01 -0.22 -0.07 7.72 0.15 -1.11 -4.96 113.70 114.21 1tha s SER 115 Ca 0.34 -0.61 -0.30 0.00 0.70 0.00 0.00 55.95 56.07 1tha s SER 115 Cb 0.18 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 1tha s SER 115 CO 0.22 -1.12 0.67 -0.72 1.20 0.00 0.00 173.24 173.49 1tha s TYR 116 N -3.92 -0.65 0.07 3.44 -0.85 -1.26 -0.83 117.35 113.35 1tha s TYR 116 Ca 0.13 1.17 0.07 0.00 -0.52 0.00 0.00 57.07 57.91 1tha s TYR 116 Cb -0.02 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 1tha s TYR 116 CO 0.02 -0.58 -0.19 0.45 -1.52 0.00 0.00 175.55 173.73 1tha s SER 117 N -1.06 2.24 0.01 -0.18 0.15 -1.01 -5.00 113.70 108.85 1tha s SER 117 Ca -0.10 -0.60 -0.06 0.00 0.70 0.00 0.00 55.95 55.89 1tha s SER 117 Cb -0.01 -0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1tha s SER 117 CO 0.09 0.06 0.11 0.28 1.20 0.00 0.00 173.24 174.98 1tha s THR 118 N -1.04 0.10 0.03 6.45 -1.32 -1.26 -2.07 115.64 116.53 1tha s THR 118 Ca 0.04 -0.81 -0.05 0.00 -1.21 0.00 0.00 61.69 59.66 1tha s THR 118 Cb -0.09 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1tha s THR 118 CO 0.03 -0.45 0.08 0.28 -2.21 0.00 0.00 174.62 172.35 1tha s THR 119 N -1.71 0.13 -0.08 5.08 -1.32 -0.83 -5.01 115.64 111.90 1tha s THR 119 Ca -0.12 -1.05 0.02 0.00 -1.21 0.00 0.00 61.69 59.33 1tha s THR 119 Cb -0.06 -0.79 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1tha s THR 119 CO -0.00 -0.58 -0.15 0.00 -2.21 0.00 0.00 174.62 171.68 1tha s ALA 120 N -2.37 2.61 -0.26 11.08 0.00 -1.26 -2.15 121.76 129.42 1tha s ALA 120 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1tha s ALA 120 Cb -0.03 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1tha s ALA 120 CO -0.04 0.43 -0.03 0.08 0.00 0.00 0.00 175.76 176.21 1tha s VAL 121 N -0.29 3.19 -0.36 0.00 1.01 0.92 -4.98 120.40 119.89 1tha s VAL 121 Ca 0.02 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1tha s VAL 121 Cb -0.13 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.72 1tha s VAL 121 CO 0.03 0.20 0.12 -0.69 0.00 0.00 0.00 175.10 174.75 1tha s VAL 122 N 1.39 3.26 0.06 2.92 1.01 -1.26 -2.12 120.40 125.66 1tha s VAL 122 Ca 0.01 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.39 1tha s VAL 122 Cb -0.16 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1tha s VAL 122 CO -0.03 -0.40 -0.19 0.42 0.00 0.00 0.00 175.10 174.90 1tha s THR 123 N 1.22 1.52 -0.10 3.92 -4.23 -1.02 -5.02 115.64 111.93 1tha s THR 123 Ca 0.02 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1tha s THR 123 Cb -0.21 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.27 1tha s THR 123 CO -0.02 0.04 -0.20 0.54 -0.54 0.00 0.00 174.62 174.44 1tha s ASN 124 N -1.46 2.75 0.00 3.99 4.22 -1.26 -3.45 114.94 119.73 1tha s ASN 124 Ca 0.05 -0.50 0.22 0.00 -2.14 0.00 0.00 52.86 50.49 1tha s ASN 124 Cb -0.09 -1.26 1.32 0.00 1.28 0.00 0.00 41.25 42.50 1tha s ASN 124 CO 0.03 0.10 1.70 -2.65 -2.04 0.00 0.00 177.10 174.23