#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gia s LEU 29 N 0.00 3.73 0.34 1.04 1.43 -1.26 -4.98 118.68 118.99 2gia s LEU 29 Ca 0.00 2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 2gia s LEU 29 Cb 0.00 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 2gia s LEU 29 CO 0.00 -1.12 1.38 -2.84 0.23 0.00 0.00 176.35 174.00 2gia s PRO 30 N -3.38 4.26 0.11 1.29 0.02 -1.26 -4.88 135.00 131.17 2gia s PRO 30 Ca 0.70 2.35 -0.26 0.00 0.02 0.00 0.00 61.00 63.81 2gia s PRO 30 Cb -0.21 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.35 2gia s PRO 30 CO 0.27 -0.32 0.88 -1.59 -0.33 0.00 0.00 177.00 175.90 2gia s LYS 31 N -1.81 1.13 0.08 5.54 -2.85 -1.26 -2.23 119.74 118.35 2gia s LYS 31 Ca 0.51 -0.55 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 2gia s LYS 31 Cb -0.42 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 2gia s LYS 31 CO 0.56 -0.51 -0.07 -0.59 0.10 0.00 0.00 175.35 174.84 2gia s PHE 32 N -3.33 0.82 0.04 1.78 -0.71 -0.37 -5.00 117.98 111.21 2gia s PHE 32 Ca 0.09 -0.83 0.03 0.00 -1.04 0.00 0.00 56.93 55.17 2gia s PHE 32 Cb -0.02 -0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 2gia s PHE 32 CO -0.02 -0.14 -0.08 -1.21 -1.34 0.00 0.00 175.22 172.42 2gia s GLU 33 N -3.32 0.56 -0.26 1.99 2.02 -1.26 -1.51 118.70 116.92 2gia s GLU 33 Ca 0.07 -0.68 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 2gia s GLU 33 Cb 0.02 -0.39 0.04 0.00 0.10 0.00 0.00 34.13 33.89 2gia s GLU 33 CO -0.04 0.08 -0.07 0.42 0.02 0.00 0.00 175.26 175.67 2gia s ILE 34 N -1.13 2.63 -0.48 -1.63 1.01 -0.06 -4.96 121.20 116.58 2gia s ILE 34 Ca -0.07 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.15 2gia s ILE 34 Cb -0.09 -2.41 0.06 0.00 0.01 0.00 0.00 42.46 40.04 2gia s ILE 34 CO 0.01 0.10 0.47 -1.00 0.00 0.00 0.00 174.94 174.51 2gia s HIS 35 N 1.24 3.18 -0.89 3.97 3.76 -1.26 -0.98 115.29 124.31 2gia s HIS 35 Ca -0.03 -0.74 -0.01 0.00 -0.15 0.00 0.00 55.06 54.13 2gia s HIS 35 Cb -0.18 -3.23 0.23 0.00 1.11 0.00 0.00 32.58 30.51 2gia s HIS 35 CO -0.05 -0.85 0.83 -3.47 -0.85 0.00 0.00 174.74 170.35 2gia n ASP 36 N 5.54 4.31 -4.72 1.40 4.64 -0.16 -5.03 116.55 122.52 2gia n ASP 36 Ca -0.10 -3.18 -0.41 0.00 -1.38 0.00 0.00 54.79 49.72 2gia n ASP 36 Cb 0.45 -1.03 -0.04 0.00 -1.04 0.00 0.00 41.12 39.46 2gia n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 2gia s VAL 37 N -1.59 4.92 0.26 5.18 1.01 -1.26 -2.13 120.40 126.79 2gia s VAL 37 Ca 0.29 1.71 0.12 0.00 0.00 0.00 0.00 61.98 64.10 2gia s VAL 37 Cb -0.04 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2gia s VAL 37 CO -0.10 0.24 -0.19 -0.13 0.00 0.00 0.00 175.10 174.92 2gia s ARG 38 N 0.71 1.72 0.30 2.72 1.81 -1.26 -5.01 118.95 119.95 2gia s ARG 38 Ca 0.43 -1.68 0.04 0.00 -1.72 0.00 0.00 55.73 52.80 2gia s ARG 38 Cb -0.19 -1.83 0.48 0.00 -0.45 0.00 0.00 34.95 32.96 2gia s ARG 38 CO 0.23 0.35 1.75 -0.44 -0.68 0.00 0.00 175.30 176.50 2gia h ASP 39 N 2.40 0.39 -3.18 0.23 3.32 -1.98 -3.34 116.42 114.26 2gia h ASP 39 Ca -0.42 -0.13 -0.76 0.00 0.02 0.00 0.00 57.03 55.74 2gia h ASP 39 Cb 1.25 -0.11 -0.24 0.00 0.22 0.00 0.00 39.33 40.45 2gia h ASP 39 CO 0.58 0.65 -0.15 -0.62 -1.72 0.00 0.00 179.24 177.98 2gia s ASP 40 N -6.83 6.27 0.40 6.45 -1.08 -1.26 -4.78 116.67 115.85 2gia s ASP 40 Ca -0.06 -1.90 0.26 0.00 -0.52 0.00 0.00 52.55 50.33 2gia s ASP 40 Cb 0.14 -2.22 1.41 0.00 -1.46 0.00 0.00 42.92 40.80 2gia s ASP 40 CO 0.78 -0.83 1.58 -0.65 0.52 0.00 0.00 175.17 176.57 2gia h PRO 41 N 8.75 0.01 -0.75 4.34 0.11 -1.82 0.70 132.00 143.34 2gia h PRO 41 Ca -0.24 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.02 2gia h PRO 41 Cb 1.09 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 2gia h PRO 41 CO 1.00 0.01 0.50 0.00 -0.21 0.00 0.00 178.00 179.30 2gia h ALA 42 N 1.82 2.15 0.00 -0.75 0.00 -1.91 -1.90 119.26 118.66 2gia h ALA 42 Ca 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.77 2gia h ALA 42 Cb 2.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.25 2gia h ALA 42 CO -0.63 -0.35 -0.72 0.39 0.00 0.00 0.00 179.25 177.94 2gia n GLU 43 N -4.47 0.11 -2.58 0.00 -0.58 0.24 -4.92 120.64 108.43 2gia n GLU 43 Ca 0.14 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.57 2gia n GLU 43 Cb 0.55 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 2gia n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2gia s GLY 44 N -3.25 2.27 0.11 0.62 0.00 -0.71 -4.92 107.32 101.44 2gia s GLY 44 Ca 0.08 0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 2gia s GLY 44 CO 0.75 0.63 0.45 -0.51 0.00 0.00 0.00 173.10 174.42 2gia s THR 45 N -2.34 0.05 -0.17 0.90 -4.23 -0.91 -1.31 115.64 107.64 2gia s THR 45 Ca 0.62 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 2gia s THR 45 Cb -0.11 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.66 2gia s THR 45 CO 0.22 -0.24 -0.19 -0.32 -0.54 0.00 0.00 174.62 173.55 2gia s MET 46 N -3.50 2.85 -0.10 3.99 1.75 -0.05 -0.99 119.30 123.25 2gia s MET 46 Ca 0.01 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 2gia s MET 46 Cb 0.01 -2.46 -0.02 0.00 2.84 0.00 0.00 34.83 35.20 2gia s MET 46 CO -0.10 -0.19 -0.10 0.99 -0.65 0.00 0.00 175.02 174.97 2gia s THR 47 N 1.26 3.40 -0.05 10.11 2.01 -0.15 -0.56 115.64 131.65 2gia s THR 47 Ca 0.03 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.51 2gia s THR 47 Cb -0.13 -2.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 2gia s THR 47 CO -0.11 0.56 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.59 2gia s ARG 48 N -0.25 2.01 -0.17 4.92 3.52 0.81 -0.88 118.95 128.91 2gia s ARG 48 Ca 0.02 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2gia s ARG 48 Cb -0.13 -1.71 0.02 0.00 -1.56 0.00 0.00 34.95 31.57 2gia s ARG 48 CO 0.03 0.25 -0.17 0.08 -0.81 0.00 0.00 175.30 174.67 2gia s VAL 49 N 0.06 1.87 0.24 7.11 1.01 -0.57 -0.51 120.40 129.61 2gia s VAL 49 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2gia s VAL 49 Cb -0.13 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2gia s VAL 49 CO 0.03 0.49 0.04 0.00 0.00 0.00 0.00 175.10 175.66 2gia s ALA 50 N 1.36 1.77 -0.04 5.51 0.00 -0.29 -1.24 121.76 128.84 2gia s ALA 50 Ca 0.05 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.17 2gia s ALA 50 Cb -0.13 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.73 2gia s ALA 50 CO -0.12 -0.34 0.08 0.54 0.00 0.00 0.00 175.76 175.92 2gia s VAL 51 N -3.57 -0.03 -0.58 0.00 0.11 -0.95 -0.09 120.40 115.29 2gia s VAL 51 Ca 0.32 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 2gia s VAL 51 Cb 0.07 -0.14 0.15 0.00 -1.53 0.00 0.00 36.38 34.92 2gia s VAL 51 CO 0.11 0.04 0.36 -0.62 -3.33 0.00 0.00 175.10 171.66 2gia s ASP 52 N 0.64 4.80 1.22 3.54 2.15 -0.06 -4.08 116.67 124.88 2gia s ASP 52 Ca -0.05 -2.97 0.00 0.00 0.43 0.00 0.00 52.55 49.96 2gia s ASP 52 Cb -0.07 -1.75 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 2gia s ASP 52 CO -0.03 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 2gia n GLY 53 N 3.25 1.29 0.02 2.66 0.00 -1.26 -1.93 105.19 109.22 2gia n GLY 53 Ca 0.07 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.42 2gia n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gia n LYS 54 N 0.00 0.12 -3.70 1.61 5.02 -1.26 -4.43 118.16 115.53 2gia n LYS 54 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2gia n LYS 54 Cb 0.00 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 2gia n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gia s LEU 55 N -3.40 4.12 0.22 -0.35 1.43 -0.81 -3.67 118.68 116.21 2gia s LEU 55 Ca 0.07 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2gia s LEU 55 Cb 0.16 -1.94 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 2gia s LEU 55 CO 0.77 -0.24 1.19 -0.22 0.23 0.00 0.00 176.35 178.09 2gia s LEU 56 N 1.54 4.47 -0.19 1.79 2.96 -1.26 -0.88 118.68 127.11 2gia s LEU 56 Ca 0.03 2.30 0.01 0.00 -0.22 0.00 0.00 54.13 56.25 2gia s LEU 56 Cb -0.18 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 42.93 2gia s LEU 56 CO 0.04 -0.35 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.84 2gia s LEU 57 N -0.65 2.22 -0.17 -0.68 1.43 0.87 -1.31 118.68 120.40 2gia s LEU 57 Ca 0.51 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2gia s LEU 57 Cb -0.33 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2gia s LEU 57 CO 0.39 -0.11 -0.09 -0.63 0.23 0.00 0.00 176.35 176.14 2gia s ILE 58 N 1.38 3.20 0.10 -0.59 1.01 -0.37 -1.14 121.20 124.80 2gia s ILE 58 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2gia s ILE 58 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2gia s ILE 58 CO -0.09 0.49 -0.13 -0.44 0.00 0.00 0.00 174.94 174.77 2gia s SER 59 N 0.79 1.75 -0.12 3.58 0.01 0.33 -0.78 113.70 119.26 2gia s SER 59 Ca -0.04 -0.78 -0.10 0.00 1.31 0.00 0.00 55.95 56.35 2gia s SER 59 Cb -0.15 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.07 2gia s SER 59 CO 0.01 -0.17 0.30 -1.58 0.41 0.00 0.00 173.24 172.21 2gia s GLN 60 N -2.54 0.34 -0.10 12.44 0.74 -0.42 -0.14 119.66 129.98 2gia s GLN 60 Ca 0.06 0.45 0.04 0.00 0.05 0.00 0.00 55.36 55.95 2gia s GLN 60 Cb -0.05 0.14 -0.00 0.00 1.10 0.00 0.00 33.01 34.19 2gia s GLN 60 CO 0.02 -0.06 -0.22 0.71 -0.55 0.00 0.00 175.29 175.19 2gia s TYR 61 N 0.31 2.58 0.45 1.67 2.02 0.27 -1.14 117.35 123.52 2gia s TYR 61 Ca -0.01 -0.93 -0.23 0.00 -0.37 0.00 0.00 57.07 55.52 2gia s TYR 61 Cb -0.03 -1.71 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 2gia s TYR 61 CO -0.01 -0.35 1.15 -2.14 -1.57 0.00 0.00 175.55 172.63 2gia s PRO 62 N 0.26 3.80 0.53 -1.71 0.02 -1.26 -0.87 135.00 135.77 2gia s PRO 62 Ca -0.15 1.74 -0.21 0.00 0.02 0.00 0.00 61.00 62.39 2gia s PRO 62 Cb -0.17 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 31.89 2gia s PRO 62 CO 0.08 -0.51 1.28 -1.14 -0.33 0.00 0.00 177.00 176.38 2gia s GLN 63 N -2.69 3.25 -0.32 5.54 0.74 -0.42 -0.32 119.66 125.44 2gia s GLN 63 Ca 0.63 2.05 -0.01 0.00 0.05 0.00 0.00 55.36 58.08 2gia s GLN 63 Cb -0.28 -2.23 0.07 0.00 1.10 0.00 0.00 33.01 31.67 2gia s GLN 63 CO 0.34 -1.04 0.03 -1.17 -0.55 0.00 0.00 175.29 172.90 2gia s LEU 64 N -3.51 4.18 0.21 3.68 2.96 0.43 -4.67 118.68 121.96 2gia s LEU 64 Ca 0.71 -1.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 2gia s LEU 64 Cb -0.36 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2gia s LEU 64 CO 0.42 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2gia n GLY 65 N 4.58 -1.82 3.56 7.98 0.00 -1.26 -4.68 105.19 113.54 2gia n GLY 65 Ca -0.10 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 2gia n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gia n PRO 66 N -2.99 -0.20 -1.63 1.61 -0.02 -1.26 -4.61 135.00 125.90 2gia n PRO 66 Ca -0.00 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.01 2gia n PRO 66 Cb 0.37 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 2gia n PRO 66 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2gia n ARG 67 N -2.77 1.66 -2.39 -0.52 0.63 -1.26 -4.90 116.66 107.11 2gia n ARG 67 Ca 0.10 0.59 -0.41 0.00 -0.92 0.00 0.00 57.85 57.21 2gia n ARG 67 Cb 0.52 -2.20 -0.03 0.00 0.45 0.00 0.00 32.46 31.20 2gia n ARG 67 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2gia s LYS 68 N -0.21 4.49 -0.00 -0.14 1.02 -1.26 -4.91 119.74 118.72 2gia s LYS 68 Ca 0.72 1.85 0.01 0.00 0.02 0.00 0.00 55.97 58.57 2gia s LYS 68 Cb -0.75 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 2gia s LYS 68 CO 0.49 -0.11 0.02 1.33 -0.92 0.00 0.00 175.35 176.16 2gia n VAL 69 N 2.79 0.02 -3.52 3.17 0.24 -1.26 -4.98 118.33 114.79 2gia n VAL 69 Ca 0.05 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.90 2gia n VAL 69 Cb 0.45 0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 32.90 2gia n VAL 69 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2gia s ASP 70 N -2.35 6.03 0.00 -1.34 3.68 -1.26 -4.93 116.67 116.49 2gia s ASP 70 Ca -0.01 -0.63 0.01 0.00 2.13 0.00 0.00 52.55 54.05 2gia s ASP 70 Cb 0.01 -2.13 0.04 0.00 -1.45 0.00 0.00 42.92 39.38 2gia s ASP 70 CO 0.06 -0.32 0.92 -0.81 0.13 0.00 0.00 175.17 175.15 2gia n PRO 71 N 5.11 0.01 0.08 4.34 -0.04 -1.26 -0.02 135.00 143.22 2gia n PRO 71 Ca -0.12 0.38 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2gia n PRO 71 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2gia n PRO 71 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2gia h ASN 72 N 0.00 0.00 -2.65 3.54 -0.73 -2.03 -3.45 115.58 110.26 2gia h ASN 72 Ca 0.00 0.00 -0.54 0.00 1.87 0.00 0.00 56.30 57.63 2gia h ASN 72 Cb 0.01 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.62 2gia h ASN 72 CO 0.00 0.41 1.04 -0.62 -0.37 0.00 0.00 177.43 177.88 2gia s ASP 73 N -5.87 6.61 0.00 1.15 -1.08 0.97 -4.88 116.67 113.57 2gia s ASP 73 Ca -0.00 2.45 0.15 0.00 -0.52 0.00 0.00 52.55 54.62 2gia s ASP 73 Cb 0.08 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.29 2gia s ASP 73 CO 0.78 -0.91 1.20 0.18 0.52 0.00 0.00 175.17 176.95 2gia n LEU 74 N 6.08 2.88 -4.78 -1.34 4.77 -1.26 -4.97 117.00 118.38 2gia n LEU 74 Ca 0.16 -1.58 -0.34 0.00 -0.03 0.00 0.00 56.01 54.23 2gia n LEU 74 Cb 0.41 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2gia n LEU 74 CO 0.63 0.65 0.75 -0.94 -1.33 0.00 0.00 177.39 177.15 2gia s SER 75 N -1.13 5.74 0.32 -1.43 1.04 -1.26 -4.99 113.70 111.99 2gia s SER 75 Ca 0.26 2.01 -0.27 0.00 0.48 0.00 0.00 55.95 58.43 2gia s SER 75 Cb 0.15 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 2gia s SER 75 CO 0.21 -1.20 1.06 -2.16 0.98 0.00 0.00 173.24 172.13 2gia s PRO 76 N -3.61 4.50 0.41 4.02 0.04 -1.26 -4.94 135.00 134.15 2gia s PRO 76 Ca 0.68 1.65 0.22 0.00 0.04 0.00 0.00 61.00 63.59 2gia s PRO 76 Cb -0.20 -2.96 0.73 0.00 0.04 0.00 0.00 34.50 32.11 2gia s PRO 76 CO 0.31 0.13 1.74 0.37 0.04 0.00 0.00 177.00 179.59 2gia h GLN 77 N 3.37 0.00 -5.69 4.56 5.75 -1.94 -3.44 115.11 117.72 2gia h GLN 77 Ca -0.47 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.51 2gia h GLN 77 Cb 1.21 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.62 2gia h GLN 77 CO 0.65 0.27 -0.71 -0.06 -2.65 0.00 0.00 178.83 176.34 2gia s PHE 78 N -3.50 2.00 -0.72 3.99 0.08 -1.26 -0.43 117.98 118.14 2gia s PHE 78 Ca 0.01 -0.58 -0.11 0.00 0.12 0.00 0.00 56.93 56.38 2gia s PHE 78 Cb 0.10 -1.04 0.19 0.00 -0.57 0.00 0.00 43.02 41.69 2gia s PHE 78 CO 0.66 0.41 0.62 0.34 -0.10 0.00 0.00 175.22 177.15 2gia s ASP 79 N -3.44 6.21 0.60 1.36 -1.08 0.57 -4.69 116.67 116.18 2gia s ASP 79 Ca 0.28 -2.59 0.32 0.00 -0.52 0.00 0.00 52.55 50.04 2gia s ASP 79 Cb 0.01 -2.10 1.88 0.00 -1.46 0.00 0.00 42.92 41.25 2gia s ASP 79 CO 0.12 -0.55 2.26 0.00 0.52 0.00 0.00 175.17 177.51 2gia h ALA 80 N 7.73 1.43 -0.00 3.66 0.00 -1.96 -1.57 119.26 128.55 2gia h ALA 80 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gia h ALA 80 Cb 1.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2gia h ALA 80 CO 0.78 0.01 -0.01 -0.25 0.00 0.00 0.00 179.25 179.78 2gia n ASP 81 N -3.72 0.06 -1.35 0.00 8.00 -1.26 -3.01 116.55 115.27 2gia n ASP 81 Ca -0.03 -0.67 -0.03 0.00 0.71 0.00 0.00 54.79 54.77 2gia n ASP 81 Cb 0.09 -0.11 0.11 0.00 -0.02 0.00 0.00 41.12 41.20 2gia n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2gia n ARG 82 N -1.08 1.87 -1.98 -1.24 1.74 -0.59 -4.78 116.66 110.60 2gia n ARG 82 Ca 0.20 -3.33 -0.30 0.00 -0.77 0.00 0.00 57.85 53.64 2gia n ARG 82 Cb 0.17 -1.52 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2gia n ARG 82 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2gia s ARG 83 N -2.84 3.38 -0.09 5.56 1.70 -1.16 -4.51 118.95 120.98 2gia s ARG 83 Ca 0.40 0.58 -0.01 0.00 -0.47 0.00 0.00 55.73 56.22 2gia s ARG 83 Cb 0.38 -2.11 -0.03 0.00 -0.57 0.00 0.00 34.95 32.62 2gia s ARG 83 CO -0.05 -0.65 -0.02 0.42 -1.08 0.00 0.00 175.30 173.92 2gia s ILE 84 N -3.17 4.15 -0.21 4.99 1.01 -0.29 -0.12 121.20 127.57 2gia s ILE 84 Ca 0.55 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2gia s ILE 84 Cb -0.11 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.72 2gia s ILE 84 CO 0.52 0.59 0.30 -0.55 0.00 0.00 0.00 174.94 175.80 2gia s SER 85 N -0.75 0.73 0.13 3.58 0.15 -1.26 -1.31 113.70 114.98 2gia s SER 85 Ca 0.12 0.10 0.10 0.00 0.70 0.00 0.00 55.95 56.97 2gia s SER 85 Cb -0.11 0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2gia s SER 85 CO 0.02 -0.30 -0.22 0.68 1.20 0.00 0.00 173.24 174.62 2gia s VAL 86 N 2.44 2.56 -0.11 4.45 -7.23 0.04 -4.99 120.40 117.56 2gia s VAL 86 Ca 0.08 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2gia s VAL 86 Cb -0.15 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.63 2gia s VAL 86 CO -0.13 0.06 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.91 2gia s ARG 87 N -2.20 2.73 0.43 4.82 3.52 -1.26 -1.24 118.95 125.75 2gia s ARG 87 Ca 0.17 -0.76 0.08 0.00 -0.13 0.00 0.00 55.73 55.09 2gia s ARG 87 Cb -0.10 -2.15 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2gia s ARG 87 CO 0.09 0.08 0.52 -0.51 -0.81 0.00 0.00 175.30 174.66 2gia s LEU 88 N 0.60 3.51 0.38 -0.88 1.43 -0.43 -5.01 118.68 118.28 2gia s LEU 88 Ca -0.14 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 2gia s LEU 88 Cb -0.17 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 2gia s LEU 88 CO 0.04 -0.78 0.57 -0.13 0.23 0.00 0.00 176.35 176.28 2gia s ARG 89 N -4.31 3.19 0.26 1.70 0.52 -1.26 -4.04 118.95 115.01 2gia s ARG 89 Ca 0.53 -0.62 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 2gia s ARG 89 Cb -0.07 -2.67 0.50 0.00 0.52 0.00 0.00 34.95 33.22 2gia s ARG 89 CO 0.32 -0.05 1.79 1.25 0.02 0.00 0.00 175.30 178.63 2gia h HIS 90 N 0.66 0.86 0.00 -0.53 -0.00 -1.99 -0.98 115.15 113.16 2gia h HIS 90 Ca -0.47 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 59.87 2gia h HIS 90 Cb 1.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 2gia h HIS 90 CO 0.46 0.28 -0.27 -0.24 -0.00 0.00 0.00 177.93 178.15 2gia h VAL 91 N 0.74 0.85 -0.35 5.26 3.04 -1.94 -2.28 116.25 121.57 2gia h VAL 91 Ca 0.45 -1.06 -0.13 0.00 -1.01 0.00 0.00 66.70 64.95 2gia h VAL 91 Cb 0.54 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 2gia h VAL 91 CO -0.31 0.26 -0.30 0.44 -1.01 0.00 0.00 177.57 176.66 2gia h ASP 92 N 0.00 0.76 -0.51 3.17 3.32 -1.57 0.04 116.42 121.63 2gia h ASP 92 Ca -0.00 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.75 2gia h ASP 92 Cb 0.62 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2gia h ASP 92 CO 0.04 1.01 0.33 0.25 -1.72 0.00 0.00 179.24 179.14 2gia h LEU 93 N 0.63 0.57 -0.81 1.55 5.85 -0.99 0.12 115.31 122.23 2gia h LEU 93 Ca 0.07 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2gia h LEU 93 Cb 0.81 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2gia h LEU 93 CO 0.07 0.41 0.40 0.00 -0.34 0.00 0.00 178.44 178.99 2gia h ALA 94 N 1.19 1.05 -0.70 1.25 0.00 -1.21 -1.69 119.26 119.14 2gia h ALA 94 Ca 0.19 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2gia h ALA 94 Cb -0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2gia h ALA 94 CO -0.05 0.60 0.26 1.88 0.00 0.00 0.00 179.25 181.94 2gia h TYR 95 N 1.15 1.08 -0.57 0.00 0.05 -0.33 -0.39 116.97 117.95 2gia h TYR 95 Ca 0.28 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 2gia h TYR 95 Cb 0.10 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2gia h TYR 95 CO 0.01 0.84 0.07 -0.07 -1.05 0.00 0.00 178.16 177.95 2gia h LEU 96 N 1.03 0.89 -0.61 3.88 3.38 -0.28 -0.44 115.31 123.16 2gia h LEU 96 Ca 0.23 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2gia h LEU 96 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2gia h LEU 96 CO -0.02 0.92 0.05 0.58 0.09 0.00 0.00 178.44 180.06 2gia h VAL 97 N 0.88 1.26 -0.64 1.22 2.07 -0.88 -1.51 116.25 118.65 2gia h VAL 97 Ca 0.18 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.66 2gia h VAL 97 Cb 0.42 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2gia h VAL 97 CO 0.01 0.40 0.42 1.23 0.02 0.00 0.00 177.57 179.65 2gia h GLY 98 N 0.95 0.80 1.08 2.17 0.00 -0.28 0.51 103.07 108.30 2gia h GLY 98 Ca 0.18 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 2gia h GLY 98 CO 0.02 0.20 -0.32 -2.08 0.00 0.00 0.00 176.54 174.36 2gia h VAL 99 N 0.65 1.28 -0.82 4.60 2.07 -0.60 0.25 116.25 123.68 2gia h VAL 99 Ca 0.27 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2gia h VAL 99 Cb 0.24 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2gia h VAL 99 CO -0.08 0.49 0.52 0.00 0.02 0.00 0.00 177.57 178.53 2gia n LYS 101 N -4.39 0.95 -2.58 0.00 5.02 0.05 -4.93 118.16 112.28 2gia n LYS 101 Ca 0.09 -0.26 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 2gia n LYS 101 Cb 0.04 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.57 2gia n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gia n GLU 102 N -0.80 -2.54 0.09 1.97 1.02 -0.55 -4.90 120.64 114.94 2gia n GLU 102 Ca 0.19 0.72 0.12 0.00 -0.02 0.00 0.00 57.16 58.16 2gia n GLU 102 Cb 0.23 -5.09 0.05 0.00 -0.02 0.00 0.00 31.44 26.60 2gia n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gia h ARG 103 N -0.56 0.00 -3.48 3.49 3.08 -0.80 -3.46 114.38 112.66 2gia h ARG 103 Ca -0.39 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.49 2gia h ARG 103 Cb 1.27 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 31.08 2gia h ARG 103 CO 0.43 0.00 -0.55 0.14 -1.07 0.00 0.00 179.97 178.92 2gia s VAL 104 N -3.30 0.03 -0.29 2.04 -7.23 -1.18 -5.00 120.40 105.47 2gia s VAL 104 Ca 0.02 -0.28 0.20 0.00 -1.81 0.00 0.00 61.98 60.10 2gia s VAL 104 Cb 0.11 -0.28 0.15 0.00 0.56 0.00 0.00 36.38 36.93 2gia s VAL 104 CO 0.77 -0.15 1.39 1.55 -0.31 0.00 0.00 175.10 178.35 2gia h PRO 105 N 5.32 0.00 -2.27 4.82 0.13 -1.90 -3.37 132.00 134.73 2gia h PRO 105 Ca -0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 2gia h PRO 105 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2gia h PRO 105 CO 0.42 0.18 0.04 0.50 -0.23 0.00 0.00 178.00 178.90 2gia s ARG 106 N -3.13 0.84 -0.12 0.86 3.52 -1.26 -3.85 118.95 115.82 2gia s ARG 106 Ca 0.04 0.46 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 2gia s ARG 106 Cb 0.07 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.88 2gia s ARG 106 CO 0.73 -0.20 -0.15 -1.58 -0.81 0.00 0.00 175.30 173.29 2gia s HIS 107 N -0.53 2.01 -0.16 5.12 5.65 -0.24 -4.96 115.29 122.18 2gia s HIS 107 Ca -0.06 -0.98 -0.07 0.00 0.25 0.00 0.00 55.06 54.20 2gia s HIS 107 Cb -0.03 -1.45 -0.04 0.00 -1.18 0.00 0.00 32.58 29.88 2gia s HIS 107 CO 0.05 -0.51 0.08 0.50 -0.65 0.00 0.00 174.74 174.21 2gia s ARG 108 N 1.08 3.73 -0.13 2.88 3.52 -1.26 -0.73 118.95 128.04 2gia s ARG 108 Ca -0.05 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.29 2gia s ARG 108 Cb -0.15 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2gia s ARG 108 CO -0.03 0.47 -0.17 -1.64 -0.81 0.00 0.00 175.30 173.12 2gia s MET 109 N -0.17 2.42 -0.10 5.12 -1.94 0.17 -4.97 119.30 119.84 2gia s MET 109 Ca 0.08 -0.63 0.02 0.00 -1.71 0.00 0.00 55.69 53.45 2gia s MET 109 Cb -0.12 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.67 2gia s MET 109 CO 0.01 -0.09 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.57 2gia s GLU 110 N 1.06 2.06 0.30 2.03 2.02 -1.26 -0.14 118.70 124.77 2gia s GLU 110 Ca -0.04 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.50 2gia s GLU 110 Cb -0.15 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 2gia s GLU 110 CO -0.04 -0.04 0.27 0.25 0.02 0.00 0.00 175.26 175.72 2gia n THR 111 N 4.10 0.00 0.21 3.63 -2.24 0.47 -4.99 114.28 115.46 2gia n THR 111 Ca -0.20 -2.13 0.05 0.00 -2.27 0.00 0.00 64.05 59.50 2gia n THR 111 Cb 0.51 1.08 0.45 0.00 -2.10 0.00 0.00 70.33 70.27 2gia n THR 111 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2gia h LYS 112 N 0.00 0.00 0.00 -0.78 3.64 -2.03 -3.06 116.57 114.34 2gia h LYS 112 Ca -0.21 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 2gia h LYS 112 Cb 1.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2gia h LYS 112 CO 0.31 0.27 -1.03 0.00 -2.27 0.00 0.00 179.45 176.73 2gia h ALA 113 N 1.73 0.65 -2.73 5.00 0.00 -1.97 -3.49 119.26 118.44 2gia h ALA 113 Ca -0.00 -0.53 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2gia h ALA 113 Cb 0.50 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2gia h ALA 113 CO 0.04 0.60 0.33 1.52 0.00 0.00 0.00 179.25 181.74 2gia s TYR 114 N -3.04 -0.26 -0.16 0.00 1.13 -1.16 -4.18 117.35 109.69 2gia s TYR 114 Ca -0.00 -0.08 -0.03 0.00 -1.41 0.00 0.00 57.07 55.56 2gia s TYR 114 Cb 0.08 0.64 0.05 0.00 -1.10 0.00 0.00 41.96 41.64 2gia s TYR 114 CO 0.78 -0.97 0.03 0.99 -2.51 0.00 0.00 175.55 173.88 2gia s THR 115 N -3.61 0.42 -0.00 -3.49 2.01 -0.54 -0.40 115.64 110.02 2gia s THR 115 Ca 0.09 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.79 2gia s THR 115 Cb -0.03 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 2gia s THR 115 CO 0.00 -0.08 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.04 2gia s LEU 116 N 1.92 2.02 -0.03 4.42 1.43 0.81 -0.91 118.68 128.34 2gia s LEU 116 Ca 0.01 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2gia s LEU 116 Cb -0.16 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 2gia s LEU 116 CO -0.07 0.05 -0.07 -1.81 0.23 0.00 0.00 176.35 174.68 2gia s ASP 117 N -0.20 4.60 -0.11 2.29 1.11 0.29 0.46 116.67 125.10 2gia s ASP 117 Ca 0.02 -0.09 0.03 0.00 0.18 0.00 0.00 52.55 52.68 2gia s ASP 117 Cb -0.02 -1.10 0.01 0.00 1.07 0.00 0.00 42.92 42.87 2gia s ASP 117 CO -0.00 0.32 -0.19 0.12 1.18 0.00 0.00 175.17 176.60 2gia s PHE 118 N -0.90 2.30 0.08 4.23 2.19 0.09 -1.36 117.98 124.62 2gia s PHE 118 Ca 0.15 -1.07 -0.06 0.00 0.33 0.00 0.00 56.93 56.27 2gia s PHE 118 Cb -0.11 -1.59 -0.02 0.00 -1.31 0.00 0.00 43.02 39.99 2gia s PHE 118 CO 0.04 -0.50 0.12 -1.83 1.83 0.00 0.00 175.22 174.89 2gia s GLU 119 N 0.77 0.80 -0.10 10.12 -1.05 -0.65 -1.08 118.70 127.50 2gia s GLU 119 Ca -0.10 -1.07 -0.16 0.00 -0.15 0.00 0.00 54.97 53.49 2gia s GLU 119 Cb -0.16 0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.79 2gia s GLU 119 CO 0.01 -0.23 0.40 0.21 0.95 0.00 0.00 175.26 176.60 2gia s LYS 120 N -3.89 4.21 0.53 -4.83 2.20 -1.25 -1.37 119.74 115.33 2gia s LYS 120 Ca 0.07 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 2gia s LYS 120 Cb 0.06 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 2gia s LYS 120 CO -0.10 0.31 0.25 -1.54 -0.36 0.00 0.00 175.35 173.91 2gia s SER 121 N 0.17 4.44 0.29 1.43 1.04 0.71 -4.95 113.70 116.83 2gia s SER 121 Ca 0.22 -1.40 0.03 0.00 0.48 0.00 0.00 55.95 55.28 2gia s SER 121 Cb -0.15 0.44 0.46 0.00 0.10 0.00 0.00 66.02 66.87 2gia s SER 121 CO 0.09 -1.00 1.76 0.00 0.98 0.00 0.00 173.24 175.07 2gia h ALA 122 N 0.99 1.17 0.00 5.32 0.00 -2.01 -3.13 119.26 121.60 2gia h ALA 122 Ca -0.40 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2gia h ALA 122 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2gia h ALA 122 CO 0.64 0.53 -1.00 1.04 0.00 0.00 0.00 179.25 180.45 2gia n GLN 123 N -4.16 0.37 0.00 0.00 1.13 -1.26 -5.03 117.38 108.43 2gia n GLN 123 Ca 0.00 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2gia n GLN 123 Cb 0.36 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2gia n GLN 123 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gia n GLY 124 N 1.32 -0.38 3.12 1.08 0.00 -1.18 -1.13 105.19 108.01 2gia n GLY 124 Ca 0.01 0.31 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2gia n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gia s TYR 125 N 0.00 0.89 -0.06 1.61 2.02 -0.21 -0.21 117.35 121.39 2gia s TYR 125 Ca 0.00 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.11 2gia s TYR 125 Cb 0.00 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2gia s TYR 125 CO 0.00 -0.05 -0.04 -1.58 -1.57 0.00 0.00 175.55 172.31 2gia s HIS 126 N -1.97 0.88 -0.14 2.71 5.65 -0.47 -0.80 115.29 121.15 2gia s HIS 126 Ca -0.01 -0.30 0.01 0.00 0.25 0.00 0.00 55.06 55.01 2gia s HIS 126 Cb -0.06 -0.82 -0.00 0.00 -1.18 0.00 0.00 32.58 30.52 2gia s HIS 126 CO -0.00 -0.28 -0.17 -1.17 -0.65 0.00 0.00 174.74 172.46 2gia s LEU 127 N 1.32 2.40 -0.02 8.88 2.96 -0.15 -1.64 118.68 132.44 2gia s LEU 127 Ca -0.04 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 2gia s LEU 127 Cb -0.14 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.10 2gia s LEU 127 CO -0.02 0.11 0.69 -1.38 -1.32 0.00 0.00 176.35 174.43 2gia s HIS 128 N 0.67 -0.61 -3.03 5.38 -3.43 -0.46 -1.06 115.29 112.75 2gia s HIS 128 Ca -0.09 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.10 2gia s HIS 128 Cb -0.16 0.44 0.00 0.00 -1.43 0.00 0.00 32.58 31.43 2gia s HIS 128 CO 0.02 -0.63 0.00 0.41 -2.00 0.00 0.00 174.74 172.54 2gia n GLY 129 N 0.64 -0.43 3.54 -1.38 0.00 -0.23 -0.55 105.19 106.79 2gia n GLY 129 Ca -0.18 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2gia n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gia s LYS 130 N -2.00 3.49 0.27 1.61 1.02 -0.09 -0.21 119.74 123.83 2gia s LYS 130 Ca 0.00 -0.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 2gia s LYS 130 Cb 0.00 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2gia s LYS 130 CO 0.00 0.36 0.39 0.14 -0.92 0.00 0.00 175.35 175.32 2gia s VAL 131 N 0.05 0.00 0.16 3.17 -7.23 -0.86 -1.47 120.40 114.22 2gia s VAL 131 Ca 0.00 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2gia s VAL 131 Cb -0.13 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2gia s VAL 131 CO 0.03 0.00 -0.17 -1.38 -0.31 0.00 0.00 175.10 173.26 2gia s HIS 132 N -3.71 1.72 0.84 2.82 -3.43 -1.26 -0.81 115.29 111.46 2gia s HIS 132 Ca 0.29 -0.49 -0.13 0.00 -0.80 0.00 0.00 55.06 53.94 2gia s HIS 132 Cb 0.01 -0.87 0.11 0.00 -1.43 0.00 0.00 32.58 30.40 2gia s HIS 132 CO 0.14 0.29 1.20 1.03 -2.00 0.00 0.00 174.74 175.40 2gia s ARG 133 N -2.79 1.68 0.44 -0.38 0.52 -1.26 -4.52 118.95 112.64 2gia s ARG 133 Ca 0.14 -0.02 -0.26 0.00 -0.52 0.00 0.00 55.73 55.07 2gia s ARG 133 Cb -0.05 -1.94 -0.09 0.00 0.52 0.00 0.00 34.95 33.39 2gia s ARG 133 CO 0.06 -1.76 1.43 0.14 0.02 0.00 0.00 175.30 175.19 2gia s VAL 134 N -3.63 2.09 -1.27 3.52 -7.23 0.84 -2.98 120.40 111.73 2gia s VAL 134 Ca 0.65 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.77 2gia s VAL 134 Cb -0.09 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2gia s VAL 134 CO 0.50 0.01 0.61 0.00 -0.31 0.00 0.00 175.10 175.91 2gia n ALA 135 N -0.08 -2.31 -3.63 1.32 0.00 -1.26 -4.88 120.51 109.68 2gia n ALA 135 Ca 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2gia n ALA 135 Cb 0.41 -2.76 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 2gia n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gia s SER 136 N -3.90 -0.59 0.00 0.00 0.15 -1.16 -5.04 113.70 103.16 2gia s SER 136 Ca 0.26 1.11 0.14 0.00 0.70 0.00 0.00 55.95 58.16 2gia s SER 136 Cb -0.10 1.11 0.02 0.00 -1.71 0.00 0.00 66.02 65.34 2gia s SER 136 CO 0.89 -0.22 0.81 0.00 1.20 0.00 0.00 173.24 175.91 2gia n GLN 137 N 2.31 1.69 -2.31 5.44 1.13 -1.26 -4.44 117.38 119.94 2gia n GLN 137 Ca -0.13 -0.85 -0.41 0.00 -1.94 0.00 0.00 57.00 53.67 2gia n GLN 137 Cb 0.56 -1.22 -0.03 0.00 0.11 0.00 0.00 30.24 29.65 2gia n GLN 137 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2gia s ARG 138 N -1.65 3.15 0.46 -1.09 3.52 -1.26 -5.00 118.95 117.09 2gia s ARG 138 Ca 0.13 0.47 -0.23 0.00 -0.13 0.00 0.00 55.73 55.97 2gia s ARG 138 Cb 0.12 -4.19 -0.07 0.00 -1.56 0.00 0.00 34.95 29.24 2gia s ARG 138 CO 0.33 -2.12 1.16 -1.64 -0.81 0.00 0.00 175.30 172.22 2gia s MET 139 N 5.85 3.74 0.05 5.12 -1.94 -1.26 -4.51 119.30 126.36 2gia s MET 139 Ca 0.55 1.75 -0.00 0.00 -1.71 0.00 0.00 55.69 56.28 2gia s MET 139 Cb -0.12 -2.38 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 2gia s MET 139 CO 0.23 -0.56 -0.04 -1.83 -0.01 0.00 0.00 175.02 172.82 2gia s GLU 140 N -2.73 0.60 0.07 2.03 -1.05 0.01 -4.95 118.70 112.67 2gia s GLU 140 Ca 0.64 -1.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 2gia s GLU 140 Cb -0.28 0.11 -0.05 0.00 -0.44 0.00 0.00 34.13 33.48 2gia s GLU 140 CO 0.34 -0.08 0.98 -0.51 0.95 0.00 0.00 175.26 176.94 2gia s ASP 141 N -2.68 7.43 0.02 0.83 -0.00 -1.26 -2.03 116.67 118.98 2gia s ASP 141 Ca 0.04 1.76 0.01 0.00 -0.00 0.00 0.00 52.55 54.36 2gia s ASP 141 Cb 0.04 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.92 40.36 2gia s ASP 141 CO -0.08 -0.16 -0.05 0.86 -0.00 0.00 0.00 175.17 175.75 2gia s TRP 142 N 0.41 0.44 -0.15 4.23 -0.00 0.70 -4.98 118.94 119.60 2gia s TRP 142 Ca 0.49 -0.41 -0.10 0.00 -0.00 0.00 0.00 56.10 56.08 2gia s TRP 142 Cb -0.23 -0.28 0.05 0.00 -0.00 0.00 0.00 33.47 33.01 2gia s TRP 142 CO 0.29 -0.10 0.37 0.45 -0.00 0.00 0.00 176.95 177.96 2gia s SER 143 N -1.20 -0.42 0.00 5.86 0.15 -1.26 -1.06 113.70 115.77 2gia s SER 143 Ca -0.10 0.77 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 2gia s SER 143 Cb -0.08 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2gia s SER 143 CO -0.00 -0.16 -0.00 0.54 1.20 0.00 0.00 173.24 174.81 2gia s VAL 144 N 0.86 0.03 0.13 4.45 0.11 -0.22 -5.01 120.40 120.74 2gia s VAL 144 Ca -0.05 -0.23 0.10 0.00 -2.93 0.00 0.00 61.98 58.87 2gia s VAL 144 Cb -0.06 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 2gia s VAL 144 CO -0.06 -0.13 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.80 2gia s LYS 145 N -0.37 1.31 -0.36 1.54 1.02 -1.26 -0.97 119.74 120.64 2gia s LYS 145 Ca -0.04 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.67 2gia s LYS 145 Cb -0.03 -1.70 0.11 0.00 -0.52 0.00 0.00 37.83 35.69 2gia s LYS 145 CO -0.00 0.40 0.13 -0.06 -0.92 0.00 0.00 175.35 174.89 2gia s PHE 146 N -1.17 2.50 0.24 3.18 0.08 0.02 -4.97 117.98 117.86 2gia s PHE 146 Ca 0.12 -2.39 0.09 0.00 0.12 0.00 0.00 56.93 54.87 2gia s PHE 146 Cb -0.10 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2gia s PHE 146 CO 0.06 -0.87 0.01 -0.51 -0.10 0.00 0.00 175.22 173.81 2gia s ASP 147 N 0.97 4.67 1.25 1.36 1.01 -1.26 -1.05 116.67 123.62 2gia s ASP 147 Ca 0.12 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2gia s ASP 147 Cb -0.20 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.80 2gia s ASP 147 CO -0.12 0.02 0.00 0.59 0.21 0.00 0.00 175.17 175.87 2gia n ASN 148 N -0.69 0.00 0.30 0.27 3.02 -0.29 -1.49 115.26 116.38 2gia n ASN 148 Ca -0.08 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.64 2gia n ASN 148 Cb 0.58 0.00 0.92 0.00 -0.61 0.00 0.00 39.78 40.67 2gia n ASN 148 CO 0.00 0.00 0.00 1.12 -2.62 0.00 0.00 177.26 175.76 2gia h HIS 149 N 0.00 0.00 0.00 3.10 2.07 -1.95 0.59 115.15 118.96 2gia h HIS 149 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2gia h HIS 149 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2gia h HIS 149 CO 0.00 0.04 -0.44 0.74 -3.07 0.00 0.00 177.93 175.20 2gia h PHE 150 N 0.00 0.00 -0.44 6.12 0.04 -1.59 -1.09 116.94 119.98 2gia h PHE 150 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2gia h PHE 150 Cb 0.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2gia h PHE 150 CO 0.00 0.44 -0.21 0.00 -0.60 0.00 0.00 178.31 177.94 2gia h ALA 151 N 1.56 0.79 -0.45 2.45 0.00 -0.80 -1.13 119.26 121.68 2gia h ALA 151 Ca -0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 2gia h ALA 151 Cb 1.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2gia h ALA 151 CO 0.06 0.65 0.04 0.28 0.00 0.00 0.00 179.25 180.28 2gia h VAL 152 N 0.77 1.25 -0.47 0.00 2.07 -1.18 -0.83 116.25 117.85 2gia h VAL 152 Ca 0.10 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2gia h VAL 152 Cb 0.76 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2gia h VAL 152 CO 0.06 0.33 0.21 0.74 0.02 0.00 0.00 177.57 178.94 2gia h THR 153 N 0.62 0.91 -0.09 2.57 2.02 -1.07 -0.84 112.91 117.03 2gia h THR 153 Ca 0.13 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2gia h THR 153 Cb 0.43 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2gia h THR 153 CO 0.02 0.08 0.02 0.25 0.37 0.00 0.00 175.52 176.25 2gia h LEU 154 N 0.42 0.14 -0.29 2.58 5.85 -1.03 -1.10 115.31 121.87 2gia h LEU 154 Ca 0.21 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2gia h LEU 154 Cb 0.16 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2gia h LEU 154 CO -0.18 0.34 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.91 2gia h GLU 155 N -0.08 0.05 -0.88 1.25 5.08 -0.92 -0.54 114.58 118.54 2gia h GLU 155 Ca 0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2gia h GLU 155 Cb 0.26 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 2gia h GLU 155 CO 0.00 0.03 0.47 0.45 -1.00 0.00 0.00 179.01 178.97 2gia h HIS 156 N 0.05 1.22 -0.27 4.33 3.86 -1.03 -1.22 115.15 122.08 2gia h HIS 156 Ca 0.14 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2gia h HIS 156 Cb 0.20 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2gia h HIS 156 CO -0.24 0.85 0.08 0.35 0.86 0.00 0.00 177.93 179.82 2gia h PHE 157 N 1.24 0.44 -0.64 2.45 3.04 -0.83 -0.34 116.94 122.30 2gia h PHE 157 Ca 0.31 -0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 2gia h PHE 157 Cb 0.04 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 2gia h PHE 157 CO 0.01 0.49 0.14 -0.07 -2.02 0.00 0.00 178.31 176.86 2gia h LEU 158 N 0.27 0.99 -0.58 0.59 3.38 -0.91 0.10 115.31 119.15 2gia h LEU 158 Ca 0.09 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2gia h LEU 158 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2gia h LEU 158 CO -0.00 0.98 -0.17 -0.33 0.09 0.00 0.00 178.44 179.00 2gia h GLU 159 N 0.96 0.95 -0.29 1.13 5.08 -1.09 -0.73 114.58 120.59 2gia h GLU 159 Ca 0.20 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2gia h GLU 159 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2gia h GLU 159 CO 0.01 1.04 0.11 0.77 -1.00 0.00 0.00 179.01 179.94 2gia h SER 160 N 0.83 0.40 -0.63 1.42 0.02 -0.88 -1.48 113.55 113.23 2gia h SER 160 Ca 0.12 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2gia h SER 160 Cb 0.73 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2gia h SER 160 CO 0.06 0.47 0.24 0.00 -1.14 0.00 0.00 176.83 176.46 2gia h ALA 161 N 0.95 0.82 -0.44 3.77 0.00 -0.55 -0.71 119.26 123.09 2gia h ALA 161 Ca 0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2gia h ALA 161 Cb 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2gia h ALA 161 CO -0.01 0.44 0.05 1.25 0.00 0.00 0.00 179.25 180.99 2gia h LEU 162 N 0.88 0.72 -1.04 0.00 5.85 -1.07 -0.87 115.31 119.79 2gia h LEU 162 Ca 0.21 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2gia h LEU 162 Cb 0.22 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2gia h LEU 162 CO -0.02 0.81 0.28 0.44 -0.34 0.00 0.00 178.44 179.62 2gia h ASP 163 N 0.60 0.88 0.44 1.25 3.32 -0.85 -2.49 116.42 119.58 2gia h ASP 163 Ca 0.13 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2gia h ASP 163 Cb 0.41 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2gia h ASP 163 CO 0.01 0.78 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.57 2gia n GLU 164 N -4.32 0.56 0.08 3.56 -0.58 -0.31 -4.17 120.64 115.46 2gia n GLU 164 Ca 0.06 -0.18 0.11 0.00 -0.42 0.00 0.00 57.16 56.73 2gia n GLU 164 Cb 0.16 -1.50 0.45 0.00 -0.57 0.00 0.00 31.44 29.98 2gia n GLU 164 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2gia n SER 165 N -1.06 0.47 0.14 1.62 3.41 -0.35 -3.16 113.62 114.69 2gia n SER 165 Ca 0.13 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 2gia n SER 165 Cb 0.29 -0.70 0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2gia n SER 165 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2gia h PHE 166 N 0.00 0.00 0.00 7.33 0.04 -1.75 -3.39 116.94 119.17 2gia h PHE 166 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2gia h PHE 166 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2gia h PHE 166 CO 0.00 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 2gia n GLY 167 N 1.17 0.94 0.17 -1.45 0.00 -1.19 -5.01 105.19 99.82 2gia n GLY 167 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2gia n GLY 167 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gia h PHE 168 N 0.00 0.29 -0.17 1.61 0.04 -1.89 -0.55 116.94 116.27 2gia h PHE 168 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2gia h PHE 168 Cb 0.00 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2gia h PHE 168 CO 0.00 0.12 0.07 -0.09 -0.60 0.00 0.00 178.31 177.81 2gia h ARG 169 N 0.33 0.25 -0.17 1.51 2.43 -1.94 -0.62 114.38 116.17 2gia h ARG 169 Ca 0.18 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 2gia h ARG 169 Cb 0.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2gia h ARG 169 CO -0.17 0.32 -0.31 -0.56 -1.51 0.00 0.00 179.97 177.74 2gia h GLN 170 N 0.12 0.33 -0.06 0.20 -0.00 -1.94 -2.23 115.11 111.53 2gia h GLN 170 Ca 0.06 -0.13 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 2gia h GLN 170 Cb 0.16 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 27.62 2gia h GLN 170 CO -0.01 0.61 -0.04 1.25 -0.00 0.00 0.00 178.83 180.64 2gia h HIS 171 N 0.29 0.15 0.00 0.06 2.76 -0.74 -3.22 115.15 114.44 2gia h HIS 171 Ca 0.04 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2gia h HIS 171 Cb 0.69 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2gia h HIS 171 CO 0.02 0.54 0.00 1.88 -1.30 0.00 0.00 177.93 179.07 2gia h TYR 172 N -0.28 0.00 -0.00 5.26 0.05 -1.10 -3.51 116.97 117.38 2gia h TYR 172 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2gia h TYR 172 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2gia h TYR 172 CO 0.08 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.19