#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upt n THR 15 N 0.00 0.00 -3.90 0.61 -1.04 -1.26 -4.67 114.28 104.02 1upt n THR 15 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1upt n THR 15 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1upt n THR 15 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1upt s ARG 16 N 0.00 3.45 0.90 -2.82 3.00 -1.26 -4.96 118.95 117.26 1upt s ARG 16 Ca 0.00 -0.52 -0.10 0.00 -1.00 0.00 0.00 55.73 54.11 1upt s ARG 16 Cb 0.00 -2.97 0.14 0.00 0.00 0.00 0.00 34.95 32.12 1upt s ARG 16 CO 0.00 0.53 1.13 -2.00 0.00 0.00 0.00 175.30 174.95 1upt s GLU 17 N -3.07 1.15 -0.24 5.12 2.12 -1.26 -4.83 118.70 117.69 1upt s GLU 17 Ca 0.35 1.41 -0.10 0.00 0.36 0.00 0.00 54.97 56.99 1upt s GLU 17 Cb -0.11 -1.75 0.09 0.00 0.26 0.00 0.00 34.13 32.61 1upt s GLU 17 CO 0.28 -2.49 0.54 0.50 -0.54 0.00 0.00 175.26 173.56 1upt s ARG 19 N -4.70 0.50 -0.03 4.30 3.52 -1.26 -4.89 118.95 116.39 1upt s ARG 19 Ca 0.66 1.14 0.07 0.00 -0.13 0.00 0.00 55.73 57.46 1upt s ARG 19 Cb -0.22 0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1upt s ARG 19 CO 0.58 -0.19 -0.23 0.42 -0.81 0.00 0.00 175.30 175.06 1upt s ILE 20 N 2.18 1.86 -0.11 4.11 1.01 -0.34 -1.21 121.20 128.69 1upt s ILE 20 Ca -0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1upt s ILE 20 Cb -0.09 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1upt s ILE 20 CO -0.16 0.52 -0.03 -0.76 0.00 0.00 0.00 174.94 174.52 1upt s LEU 21 N -0.45 3.38 -0.32 2.97 1.43 -0.57 -0.71 118.68 124.40 1upt s LEU 21 Ca 0.06 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1upt s LEU 21 Cb -0.10 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.36 1upt s LEU 21 CO 0.00 0.30 0.12 -0.63 0.23 0.00 0.00 176.35 176.37 1upt s ILE 22 N -0.41 4.13 0.34 -0.59 1.01 0.32 -0.66 121.20 125.33 1upt s ILE 22 Ca 0.07 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1upt s ILE 22 Cb -0.12 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 1upt s ILE 22 CO 0.02 -0.04 0.03 -0.76 0.00 0.00 0.00 174.94 174.20 1upt s LEU 23 N 1.50 2.37 0.00 2.97 1.43 -0.42 -2.49 118.68 124.05 1upt s LEU 23 Ca 0.02 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 1upt s LEU 23 Cb -0.18 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1upt s LEU 23 CO 0.04 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1upt n GLY 24 N -0.74 3.92 3.73 -3.19 0.00 -1.26 -0.97 105.19 106.68 1upt n GLY 24 Ca -0.03 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1upt n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upt s LEU 25 N 0.00 3.17 0.39 0.99 1.43 -1.26 -4.22 118.68 119.17 1upt s LEU 25 Ca 0.00 2.16 -0.25 0.00 -1.03 0.00 0.00 54.13 55.00 1upt s LEU 25 Cb 0.00 -4.56 -0.11 0.00 0.03 0.00 0.00 46.19 41.54 1upt s LEU 25 CO 0.00 -2.30 1.04 -0.90 0.23 0.00 0.00 176.35 174.43 1upt n ASP 26 N -3.15 1.45 0.00 2.29 5.75 -1.09 -2.26 116.55 119.54 1upt n ASP 26 Ca 0.12 1.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.98 1upt n ASP 26 Cb 0.51 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 1upt n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1upt n GLY 27 N 1.14 1.67 0.18 6.12 0.00 -1.26 -4.90 105.19 108.13 1upt n GLY 27 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1upt n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upt h ALA 28 N 0.00 1.18 0.00 4.61 0.00 -1.78 -3.47 119.26 119.80 1upt h ALA 28 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1upt h ALA 28 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1upt h ALA 28 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1upt n GLY 29 N -0.13 1.65 0.05 0.00 0.00 -1.26 -4.47 105.19 101.03 1upt n GLY 29 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1upt n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upt h LYS 30 N 0.29 -0.02 -0.37 1.61 1.57 -1.90 -0.55 116.57 117.20 1upt h LYS 30 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1upt h LYS 30 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1upt h LYS 30 CO 0.00 -0.01 -0.24 1.15 -0.57 0.00 0.00 179.45 179.77 1upt h THR 31 N -0.02 1.27 -0.54 -0.16 2.02 -1.96 -1.15 112.91 112.37 1upt h THR 31 Ca 0.00 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 1upt h THR 31 Cb 0.02 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1upt h THR 31 CO -0.00 0.45 0.19 0.74 0.37 0.00 0.00 175.52 177.26 1upt h THR 32 N 0.64 1.23 -0.27 3.16 2.02 -1.88 -2.49 112.91 115.32 1upt h THR 32 Ca 0.09 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1upt h THR 32 Cb 0.74 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1upt h THR 32 CO 0.06 0.28 0.17 0.40 0.37 0.00 0.00 175.52 176.80 1upt h ILE 33 N 0.74 1.06 -0.36 3.11 2.04 -0.76 -1.02 117.51 122.33 1upt h ILE 33 Ca 0.18 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.99 1upt h ILE 33 Cb 0.24 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1upt h ILE 33 CO -0.01 0.06 -0.06 0.25 0.00 0.00 0.00 178.15 178.39 1upt h LEU 34 N 0.35 -0.28 -0.02 1.44 5.85 -0.98 -0.76 115.31 120.91 1upt h LEU 34 Ca 0.10 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1upt h LEU 34 Cb -0.04 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1upt h LEU 34 CO -0.03 -0.10 -0.35 1.88 -0.34 0.00 0.00 178.44 179.51 1upt h TYR 35 N 0.03 0.00 -0.30 1.25 0.05 -1.40 -1.06 116.97 115.54 1upt h TYR 35 Ca 0.17 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.83 1upt h TYR 35 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1upt h TYR 35 CO -0.30 0.35 -0.32 -0.09 -1.05 0.00 0.00 178.16 176.74 1upt h ARG 36 N 0.00 0.65 -0.34 4.88 2.43 -0.72 -1.00 114.38 120.29 1upt h ARG 36 Ca -0.00 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1upt h ARG 36 Cb 1.26 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1upt h ARG 36 CO 0.05 0.89 -0.14 -0.07 -1.51 0.00 0.00 179.97 179.18 1upt h LEU 37 N 0.56 0.71 0.25 3.80 3.38 -0.97 -1.89 115.31 121.14 1upt h LEU 37 Ca 0.06 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1upt h LEU 37 Cb 0.82 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1upt h LEU 37 CO 0.07 0.95 -0.12 -0.61 0.09 0.00 0.00 178.44 178.81 1upt h GLN 38 N 0.47 -0.33 -0.20 1.13 4.15 -1.07 -3.39 115.11 115.87 1upt h GLN 38 Ca 0.08 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1upt h GLN 38 Cb 0.67 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1upt h GLN 38 CO 0.04 -0.03 0.00 1.33 -1.93 0.00 0.00 178.83 178.24 1upt n VAL 39 N -5.00 0.48 -0.97 2.39 0.24 -0.39 -4.79 118.33 110.29 1upt n VAL 39 Ca -0.07 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1upt n VAL 39 Cb 0.22 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1upt n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1upt n GLY 40 N 0.68 0.57 3.23 7.63 0.00 -0.71 -5.00 105.19 111.59 1upt n GLY 40 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1upt n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1upt s GLU 41 N -0.29 1.07 0.05 1.61 2.02 -1.26 -4.95 118.70 116.95 1upt s GLU 41 Ca 0.00 -1.51 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 1upt s GLU 41 Cb 0.00 -0.21 -0.05 0.00 0.10 0.00 0.00 34.13 33.98 1upt s GLU 41 CO 0.00 -0.14 1.03 0.08 0.02 0.00 0.00 175.26 176.26 1upt s VAL 42 N -3.70 4.53 0.30 2.63 1.01 -1.26 -3.41 120.40 120.50 1upt s VAL 42 Ca 0.23 1.90 0.10 0.00 0.00 0.00 0.00 61.98 64.21 1upt s VAL 42 Cb 0.06 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1upt s VAL 42 CO 0.03 0.19 -0.09 0.68 0.00 0.00 0.00 175.10 175.91 1upt s VAL 43 N 0.70 2.65 0.34 2.92 -7.23 -1.26 -5.07 120.40 113.45 1upt s VAL 43 Ca 0.52 -2.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.25 1upt s VAL 43 Cb -0.24 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.03 1upt s VAL 43 CO 0.29 -0.31 1.06 -0.89 -0.31 0.00 0.00 175.10 174.94 1upt s THR 44 N -2.50 3.66 0.14 5.32 2.01 -1.26 -4.94 115.64 118.08 1upt s THR 44 Ca 0.32 1.44 0.05 0.00 0.31 0.00 0.00 61.69 63.81 1upt s THR 44 Cb -0.03 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1upt s THR 44 CO 0.17 0.17 -0.11 0.42 -0.69 0.00 0.00 174.62 174.59 1upt s THR 45 N -1.44 1.20 0.32 -0.82 -4.23 -1.26 -5.08 115.64 104.33 1upt s THR 45 Ca 0.52 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 1upt s THR 45 Cb -0.26 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1upt s THR 45 CO 0.33 -0.68 -0.04 0.27 -0.54 0.00 0.00 174.62 173.96 1upt s ILE 46 N -3.05 2.67 -0.19 2.99 -4.36 -1.26 -5.10 121.20 112.89 1upt s ILE 46 Ca 0.15 -2.07 -0.38 0.00 -0.26 0.00 0.00 60.65 58.08 1upt s ILE 46 Cb 0.01 -2.69 -0.15 0.00 1.25 0.00 0.00 42.46 40.87 1upt s ILE 46 CO 0.01 -0.26 1.72 -2.65 0.24 0.00 0.00 174.94 174.00 1upt n PRO 47 N -0.86 1.38 -2.56 0.37 -0.02 -1.26 -4.90 135.00 127.14 1upt n PRO 47 Ca -0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1upt n PRO 47 Cb 0.62 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1upt n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1upt s THR 48 N 3.24 3.93 -0.97 3.45 2.01 -1.26 -4.94 115.64 121.11 1upt s THR 48 Ca 0.95 0.78 -0.09 0.00 0.31 0.00 0.00 61.69 63.64 1upt s THR 48 Cb -0.97 -4.76 0.25 0.00 0.01 0.00 0.00 72.50 67.02 1upt s THR 48 CO 0.60 -1.45 0.92 -0.63 -0.69 0.00 0.00 174.62 173.37 1upt s ILE 49 N 5.20 5.47 0.00 1.82 1.01 -1.26 -4.17 121.20 129.27 1upt s ILE 49 Ca 0.42 -3.22 0.00 0.00 0.00 0.00 0.00 60.65 57.85 1upt s ILE 49 Cb -0.08 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1upt s ILE 49 CO 0.23 -1.11 0.00 0.61 0.00 0.00 0.00 174.94 174.67 1upt n GLY 50 N 3.02 0.45 3.40 6.18 0.00 -1.26 -5.06 105.19 111.91 1upt n GLY 50 Ca 0.20 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1upt n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1upt s PHE 51 N 0.00 -0.26 -0.08 1.61 -0.12 -1.26 -1.94 117.98 115.92 1upt s PHE 51 Ca 0.00 -0.03 0.04 0.00 -0.05 0.00 0.00 56.93 56.89 1upt s PHE 51 Cb 0.00 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1upt s PHE 51 CO 0.00 -0.80 -0.21 -0.80 -0.05 0.00 0.00 175.22 173.37 1upt s ASN 52 N -2.81 3.43 -0.09 1.98 0.02 -0.25 -5.00 114.94 112.23 1upt s ASN 52 Ca 0.04 -0.43 0.03 0.00 -1.02 0.00 0.00 52.86 51.48 1upt s ASN 52 Cb 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 41.25 40.15 1upt s ASN 52 CO -0.10 0.22 -0.18 0.54 0.02 0.00 0.00 177.10 177.61 1upt s VAL 53 N -0.03 1.60 0.06 1.60 0.11 -1.26 -0.48 120.40 122.00 1upt s VAL 53 Ca -0.06 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 1upt s VAL 53 Cb -0.15 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 1upt s VAL 53 CO 0.05 0.46 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.60 1upt s GLU 54 N 0.54 0.63 -0.21 1.54 0.41 -0.98 -5.01 118.70 115.60 1upt s GLU 54 Ca -0.16 -0.96 -0.21 0.00 -0.41 0.00 0.00 54.97 53.22 1upt s GLU 54 Cb -0.17 -0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 31.94 1upt s GLU 54 CO 0.06 0.02 0.66 0.99 -0.49 0.00 0.00 175.26 176.49 1upt s THR 55 N -2.24 4.99 -0.07 3.63 2.01 -1.26 -2.08 115.64 120.62 1upt s THR 55 Ca -0.02 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.24 1upt s THR 55 Cb -0.04 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 1upt s THR 55 CO -0.02 0.07 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.15 1upt s VAL 56 N 2.14 3.04 -0.22 3.82 1.01 -0.51 -4.93 120.40 124.75 1upt s VAL 56 Ca 0.29 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1upt s VAL 56 Cb -0.16 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1upt s VAL 56 CO 0.10 0.57 0.01 -0.89 0.00 0.00 0.00 175.10 174.89 1upt s THR 57 N -0.46 3.88 -0.03 3.92 2.01 -1.26 -1.09 115.64 122.62 1upt s THR 57 Ca 0.06 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.73 1upt s THR 57 Cb -0.12 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.64 1upt s THR 57 CO 0.02 0.40 0.03 -0.47 -0.69 0.00 0.00 174.62 173.91 1upt s TYR 58 N 1.34 0.13 -1.60 4.92 5.04 -0.66 -4.79 117.35 121.73 1upt s TYR 58 Ca 0.04 0.12 -0.13 0.00 -2.44 0.00 0.00 57.07 54.67 1upt s TYR 58 Cb -0.15 -0.37 0.11 0.00 0.35 0.00 0.00 41.96 41.90 1upt s TYR 58 CO 0.01 -0.14 0.69 1.63 -1.34 0.00 0.00 175.55 176.40 1upt n LYS 59 N 4.55 -3.40 -1.54 4.97 5.02 -1.26 -1.12 118.16 125.37 1upt n LYS 59 Ca -0.19 0.40 -0.15 0.00 -2.02 0.00 0.00 58.31 56.34 1upt n LYS 59 Cb 0.50 -4.96 -0.06 0.00 -0.02 0.00 0.00 35.03 30.50 1upt n LYS 59 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1upt n ASN 60 N -2.77 -4.02 -4.93 4.39 4.13 -1.26 -4.98 115.26 105.82 1upt n ASN 60 Ca -0.04 0.35 -0.28 0.00 1.68 0.00 0.00 54.58 56.28 1upt n ASN 60 Cb 0.55 -3.66 -0.04 0.00 -1.54 0.00 0.00 39.78 35.10 1upt n ASN 60 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1upt s LEU 61 N -4.17 4.33 -0.15 3.41 1.43 -0.28 -5.10 118.68 118.15 1upt s LEU 61 Ca 0.00 0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1upt s LEU 61 Cb 0.00 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1upt s LEU 61 CO 0.00 0.09 -0.01 -0.54 0.23 0.00 0.00 176.35 176.12 1upt s LYS 62 N -2.92 3.61 -0.07 1.70 -0.14 -1.26 -1.66 119.74 119.00 1upt s LYS 62 Ca 0.35 -0.46 0.04 0.00 -1.36 0.00 0.00 55.97 54.54 1upt s LYS 62 Cb -0.12 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 1upt s LYS 62 CO 0.28 0.33 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.96 1upt s PHE 63 N 0.13 2.01 -0.54 3.18 0.08 -0.25 -4.47 117.98 118.13 1upt s PHE 63 Ca 0.01 -0.73 -0.25 0.00 0.12 0.00 0.00 56.93 56.07 1upt s PHE 63 Cb -0.13 -1.37 0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1upt s PHE 63 CO 0.02 -0.30 1.00 -1.14 -0.10 0.00 0.00 175.22 174.70 1upt s GLN 64 N 0.34 3.43 -0.23 0.44 0.74 -1.26 -1.43 119.66 121.69 1upt s GLN 64 Ca -0.13 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.17 1upt s GLN 64 Cb -0.16 -4.01 -0.03 0.00 1.10 0.00 0.00 33.01 29.91 1upt s GLN 64 CO 0.05 -1.48 0.07 0.08 -0.55 0.00 0.00 175.29 173.47 1upt s VAL 65 N 4.16 4.51 -0.28 1.34 1.01 -0.88 -1.20 120.40 129.06 1upt s VAL 65 Ca 0.35 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1upt s VAL 65 Cb -0.11 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1upt s VAL 65 CO 0.22 0.37 0.08 0.26 0.00 0.00 0.00 175.10 176.03 1upt s TRP 66 N 1.24 3.13 -0.43 5.22 0.52 0.11 -2.33 118.94 126.40 1upt s TRP 66 Ca 0.05 -0.86 -0.17 0.00 0.02 0.00 0.00 56.10 55.14 1upt s TRP 66 Cb -0.14 -2.25 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1upt s TRP 66 CO 0.04 -0.53 0.45 0.34 0.02 0.00 0.00 176.95 177.26 1upt s ASP 67 N 1.52 6.20 -0.15 2.95 2.15 0.37 -0.52 116.67 129.19 1upt s ASP 67 Ca 0.04 -0.71 -0.09 0.00 0.43 0.00 0.00 52.55 52.22 1upt s ASP 67 Cb -0.17 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.18 1upt s ASP 67 CO 0.03 -0.60 0.15 -0.76 -0.17 0.00 0.00 175.17 173.81 1upt s LEU 68 N 2.15 4.31 0.33 -1.34 1.43 -1.04 -1.08 118.68 123.44 1upt s LEU 68 Ca 0.12 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.32 1upt s LEU 68 Cb -0.17 -2.10 -0.12 0.00 0.03 0.00 0.00 46.19 43.82 1upt s LEU 68 CO 0.13 0.30 1.36 0.61 0.23 0.00 0.00 176.35 178.98 1upt n GLY 69 N 2.66 0.76 0.92 -3.19 0.00 -0.82 -4.77 105.19 100.75 1upt n GLY 69 Ca -0.18 0.35 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1upt n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1upt n GLY 70 N 1.00 1.52 3.66 -0.02 0.00 -1.26 -4.53 105.19 105.55 1upt n GLY 70 Ca 0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1upt n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1upt n LEU 71 N 1.14 3.27 -0.24 0.99 -0.00 -1.26 -2.68 117.00 118.22 1upt n LEU 71 Ca 0.15 1.10 0.03 0.00 -0.00 0.00 0.00 56.01 57.29 1upt n LEU 71 Cb 0.51 -1.43 0.15 0.00 -0.00 0.00 0.00 43.42 42.65 1upt n LEU 71 CO 0.13 -0.99 1.02 0.74 -0.00 0.00 0.00 177.39 178.28 1upt h THR 72 N 1.93 0.74 0.00 1.96 2.02 -2.01 -1.85 112.91 115.70 1upt h THR 72 Ca -0.46 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1upt h THR 72 Cb 1.31 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1upt h THR 72 CO 0.59 0.09 0.00 0.77 0.37 0.00 0.00 175.52 177.34 1upt h SER 73 N 0.47 0.00 -0.21 4.18 4.64 -1.99 -2.99 113.55 117.65 1upt h SER 73 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1upt h SER 73 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1upt h SER 73 CO -0.34 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 177.92 1upt n ILE 74 N -3.01 0.39 0.02 0.95 -5.35 -0.72 -4.48 119.36 107.16 1upt n ILE 74 Ca 0.01 -0.69 -0.04 0.00 -0.27 0.00 0.00 62.75 61.76 1upt n ILE 74 Cb 0.31 1.02 0.19 0.00 -1.74 0.00 0.00 39.64 39.41 1upt n ILE 74 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1upt h ARG 75 N 3.13 0.47 0.00 6.28 3.08 -1.34 -2.73 114.38 123.26 1upt h ARG 75 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1upt h ARG 75 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1upt h ARG 75 CO 0.00 0.71 0.16 -1.35 -1.07 0.00 0.00 179.97 178.43 1upt h PRO 76 N 0.41 0.00 0.00 0.04 0.11 -1.78 -1.99 132.00 128.78 1upt h PRO 76 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1upt h PRO 76 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1upt h PRO 76 CO 0.05 0.00 -0.40 0.66 -0.21 0.00 0.00 178.00 178.10 1upt n TYR 77 N -2.76 0.45 -0.32 0.65 4.01 -1.03 -4.14 117.16 114.02 1upt n TYR 77 Ca -0.02 0.13 0.09 0.00 -0.16 0.00 0.00 57.90 57.94 1upt n TYR 77 Cb 0.21 -0.61 0.26 0.00 -0.31 0.00 0.00 39.34 38.89 1upt n TYR 77 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1upt h TRP 78 N 0.00 0.90 0.00 -0.72 6.55 -1.48 -2.08 115.95 119.13 1upt h TRP 78 Ca 0.00 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1upt h TRP 78 Cb 0.66 -0.26 -0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1upt h TRP 78 CO 0.00 0.22 -0.08 0.07 -1.05 0.00 0.00 178.44 177.60 1upt h ARG 79 N 0.70 0.00 0.00 0.49 0.11 -1.79 -1.14 114.38 112.76 1upt h ARG 79 Ca 0.51 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.59 1upt h ARG 79 Cb 0.73 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.81 1upt h ARG 79 CO -0.36 0.08 -0.01 0.00 0.10 0.00 0.00 179.97 179.78 1upt n TYR 81 N -3.56 0.38 0.24 0.00 4.01 -0.43 -4.63 117.16 113.17 1upt n TYR 81 Ca -0.03 -0.19 0.14 0.00 -0.16 0.00 0.00 57.90 57.66 1upt n TYR 81 Cb 0.09 -0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.52 1upt n TYR 81 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1upt h TYR 82 N 4.48 0.00 -2.67 -0.72 0.05 -1.55 -3.46 116.97 113.10 1upt h TYR 82 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1upt h TYR 82 Cb 0.98 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.79 1upt h TYR 82 CO 0.19 0.02 0.77 0.43 -1.05 0.00 0.00 178.16 178.52 1upt n SER 83 N -3.11 3.23 -3.24 3.88 7.64 -1.26 -2.50 113.62 118.26 1upt n SER 83 Ca 0.02 1.11 -0.23 0.00 1.01 0.00 0.00 58.87 60.79 1upt n SER 83 Cb 0.43 -1.48 0.05 0.00 -1.01 0.00 0.00 64.21 62.21 1upt n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1upt n ASN 84 N 2.77 -6.24 -4.67 6.43 3.02 -1.26 -4.96 115.26 110.35 1upt n ASN 84 Ca 0.13 -0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 53.90 1upt n ASN 84 Cb 0.32 -4.99 -0.06 0.00 -0.61 0.00 0.00 39.78 34.44 1upt n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1upt s THR 85 N -3.24 5.03 0.07 3.41 2.01 -1.04 -4.63 115.64 117.25 1upt s THR 85 Ca 0.41 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.65 1upt s THR 85 Cb -0.18 -3.95 -0.24 0.00 0.01 0.00 0.00 72.50 68.13 1upt s THR 85 CO 0.51 0.13 1.12 0.44 -0.69 0.00 0.00 174.62 176.13 1upt h ASP 86 N 7.38 0.19 -4.46 3.53 3.32 -1.51 -3.34 116.42 121.52 1upt h ASP 86 Ca -0.33 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.45 1upt h ASP 86 Cb 1.15 -0.06 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 1upt h ASP 86 CO 0.77 1.17 0.10 0.00 -1.72 0.00 0.00 179.24 179.57 1upt s ALA 87 N -2.67 -1.66 -0.18 3.45 0.00 -1.17 -2.06 121.76 117.47 1upt s ALA 87 Ca -0.02 1.57 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 1upt s ALA 87 Cb 0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1upt s ALA 87 CO 0.84 -0.34 -0.05 0.08 0.00 0.00 0.00 175.76 176.30 1upt s VAL 88 N -0.38 3.57 -0.41 0.00 1.01 -0.58 -1.52 120.40 122.10 1upt s VAL 88 Ca -0.05 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1upt s VAL 88 Cb -0.03 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1upt s VAL 88 CO 0.05 0.47 0.53 -0.63 0.00 0.00 0.00 175.10 175.52 1upt s ILE 89 N 0.81 4.97 -0.37 2.22 1.01 0.16 -1.19 121.20 128.81 1upt s ILE 89 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 1upt s ILE 89 Cb -0.15 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1upt s ILE 89 CO 0.02 -0.43 0.24 -0.47 0.00 0.00 0.00 174.94 174.30 1upt s TYR 90 N 2.45 3.23 -0.18 3.97 5.04 0.11 -1.31 117.35 130.66 1upt s TYR 90 Ca 0.18 -0.57 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 1upt s TYR 90 Cb -0.16 -2.49 -0.05 0.00 0.35 0.00 0.00 41.96 39.61 1upt s TYR 90 CO 0.15 -0.52 0.26 0.08 -1.34 0.00 0.00 175.55 174.18 1upt s VAL 91 N 1.65 5.32 -0.06 3.14 1.01 -0.14 -0.86 120.40 130.47 1upt s VAL 91 Ca 0.05 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1upt s VAL 91 Cb -0.18 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1upt s VAL 91 CO 0.09 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 1upt s VAL 92 N 0.63 0.96 -0.36 2.92 1.01 -0.45 -4.18 120.40 120.93 1upt s VAL 92 Ca 0.14 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1upt s VAL 92 Cb -0.13 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1upt s VAL 92 CO 0.03 0.32 1.36 -0.62 0.00 0.00 0.00 175.10 176.19 1upt s ASP 93 N 0.74 6.50 0.03 3.32 -1.08 -1.26 -0.51 116.67 124.41 1upt s ASP 93 Ca -0.14 1.02 0.13 0.00 -0.52 0.00 0.00 52.55 53.05 1upt s ASP 93 Cb -0.15 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.34 1upt s ASP 93 CO 0.03 -1.26 1.42 -1.20 0.52 0.00 0.00 175.17 174.68 1upt n SER 94 N 8.22 0.08 -0.46 -0.34 7.64 -0.63 -2.17 113.62 125.96 1upt n SER 94 Ca 0.16 0.52 0.10 0.00 1.01 0.00 0.00 58.87 60.66 1upt n SER 94 Cb 0.47 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1upt n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1upt s ASP 96 N -2.25 6.98 0.28 0.00 -1.08 -0.92 -4.81 116.67 114.86 1upt s ASP 96 Ca 0.17 -2.81 0.04 0.00 -0.52 0.00 0.00 52.55 49.43 1upt s ASP 96 Cb 0.16 -2.37 0.41 0.00 -1.46 0.00 0.00 42.92 39.66 1upt s ASP 96 CO 0.50 -0.77 1.69 0.03 0.52 0.00 0.00 175.17 177.15 1upt h ARG 97 N 7.54 0.36 -0.17 4.34 3.08 -1.87 -3.12 114.38 124.54 1upt h ARG 97 Ca 0.25 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1upt h ARG 97 Cb 0.92 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1upt h ARG 97 CO 1.17 0.68 -0.13 -0.44 -1.07 0.00 0.00 179.97 180.17 1upt h ASP 98 N 0.31 0.26 -0.21 7.04 3.32 -1.99 -3.28 116.42 121.86 1upt h ASP 98 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1upt h ASP 98 Cb 0.78 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1upt h ASP 98 CO 0.06 0.42 0.00 0.54 -1.72 0.00 0.00 179.24 178.54 1upt n ARG 99 N -4.26 2.79 -0.08 3.56 1.74 -1.20 -4.61 116.66 114.61 1upt n ARG 99 Ca -0.00 -2.07 0.03 0.00 -0.77 0.00 0.00 57.85 55.04 1upt n ARG 99 Cb 0.28 -1.30 0.37 0.00 -1.02 0.00 0.00 32.46 30.78 1upt n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1upt h ILE 100 N 1.27 1.13 -0.41 0.55 6.09 -1.61 -1.37 117.51 123.17 1upt h ILE 100 Ca 0.00 -0.24 -0.05 0.00 -1.37 0.00 0.00 64.86 63.20 1upt h ILE 100 Cb 0.80 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.43 1upt h ILE 100 CO 0.03 0.13 0.04 1.23 -3.07 0.00 0.00 178.15 176.52 1upt h GLY 101 N 0.71 0.67 1.06 8.18 0.00 -1.84 -0.06 103.07 111.79 1upt h GLY 101 Ca 0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 1upt h GLY 101 CO -0.04 0.37 -0.27 -2.22 0.00 0.00 0.00 176.54 174.38 1upt h ILE 102 N 0.60 1.28 -0.81 2.60 1.08 -1.71 -1.36 117.51 119.20 1upt h ILE 102 Ca 0.13 -1.42 0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1upt h ILE 102 Cb 0.32 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 1upt h ILE 102 CO 0.01 0.48 0.50 0.28 -0.69 0.00 0.00 178.15 178.73 1upt h SER 103 N 0.68 0.81 0.25 1.72 0.02 -0.99 -1.36 113.55 114.68 1upt h SER 103 Ca 0.08 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1upt h SER 103 Cb 0.84 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1upt h SER 103 CO 0.07 0.54 -0.17 0.50 -1.14 0.00 0.00 176.83 176.63 1upt h LYS 104 N 0.95 -0.40 -0.08 3.45 3.64 -0.86 -1.68 116.57 121.60 1upt h LYS 104 Ca 0.34 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1upt h LYS 104 Cb 0.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1upt h LYS 104 CO -0.14 -0.27 -0.38 0.66 -2.27 0.00 0.00 179.45 177.04 1upt h SER 105 N -0.42 0.17 -0.27 4.20 4.64 -0.92 -0.05 113.55 120.90 1upt h SER 105 Ca -0.02 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 1upt h SER 105 Cb 0.36 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1upt h SER 105 CO 0.00 0.54 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.87 1upt h GLU 106 N 0.14 0.79 -0.02 4.77 4.39 -1.19 -1.82 114.58 121.64 1upt h GLU 106 Ca 0.01 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 1upt h GLU 106 Cb 0.75 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1upt h GLU 106 CO 0.06 0.98 0.01 1.25 -1.16 0.00 0.00 179.01 180.15 1upt h LEU 107 N 0.66 0.03 -0.57 1.33 5.85 -0.63 -3.11 115.31 118.87 1upt h LEU 107 Ca 0.07 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1upt h LEU 107 Cb 0.84 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1upt h LEU 107 CO 0.07 0.16 0.24 0.58 -0.34 0.00 0.00 178.44 179.16 1upt h VAL 108 N -0.11 0.84 0.00 1.05 2.07 -0.93 -2.25 116.25 116.92 1upt h VAL 108 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1upt h VAL 108 Cb 0.14 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1upt h VAL 108 CO -0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1upt n ALA 109 N -2.42 1.15 0.00 1.67 0.00 -0.69 -3.00 120.51 117.23 1upt n ALA 109 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1upt n ALA 109 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1upt n ALA 109 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upt n LEU 111 N 0.53 0.00 0.18 0.00 4.77 -0.85 -3.85 117.00 117.78 1upt n LEU 111 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1upt n LEU 111 Cb 0.02 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.38 1upt n LEU 111 CO 0.00 0.00 0.84 -0.33 -1.33 0.00 0.00 177.39 176.57 1upt h GLU 112 N 0.00 0.00 -6.53 3.23 5.08 -1.82 -3.47 114.58 111.07 1upt h GLU 112 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1upt h GLU 112 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1upt h GLU 112 CO 0.00 0.00 0.70 -1.21 -1.00 0.00 0.00 179.01 177.50 1upt s GLU 113 N -3.18 4.34 0.35 2.33 0.41 -1.25 -4.92 118.70 116.77 1upt s GLU 113 Ca 0.08 2.02 0.08 0.00 -0.41 0.00 0.00 54.97 56.74 1upt s GLU 113 Cb 0.08 -3.28 0.65 0.00 -1.78 0.00 0.00 34.13 29.80 1upt s GLU 113 CO 0.64 -0.41 1.84 1.49 -0.49 0.00 0.00 175.26 178.32 1upt h GLU 114 N 6.84 0.28 -0.29 1.61 4.81 -1.98 -2.12 114.58 123.72 1upt h GLU 114 Ca -0.42 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1upt h GLU 114 Cb 1.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1upt h GLU 114 CO 0.86 0.48 0.26 0.93 -0.73 0.00 0.00 179.01 180.81 1upt h GLU 115 N 0.25 0.00 -0.33 1.92 4.39 -1.91 -1.91 114.58 116.99 1upt h GLU 115 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1upt h GLU 115 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1upt h GLU 115 CO 0.03 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.16 1upt n LEU 116 N -4.07 2.80 -0.33 1.33 4.77 -0.80 -4.46 117.00 116.25 1upt n LEU 116 Ca 0.04 -1.22 0.13 0.00 -0.03 0.00 0.00 56.01 54.93 1upt n LEU 116 Cb 0.42 -0.21 0.31 0.00 -2.33 0.00 0.00 43.42 41.60 1upt n LEU 116 CO 0.31 0.61 1.14 0.03 -1.33 0.00 0.00 177.39 178.15 1upt h ARG 117 N 3.58 0.60 0.00 3.23 2.47 -1.41 -0.89 114.38 121.97 1upt h ARG 117 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1upt h ARG 117 Cb 0.79 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1upt h ARG 117 CO 0.00 0.40 -0.22 1.63 0.56 0.00 0.00 179.97 182.34 1upt n LYS 118 N -4.87 0.00 -2.65 0.04 5.02 -1.26 -4.91 118.16 109.53 1upt n LYS 118 Ca 0.22 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.13 1upt n LYS 118 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.05 1upt n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1upt s ALA 119 N -3.00 3.25 0.25 7.82 0.00 -0.34 -4.89 121.76 124.85 1upt s ALA 119 Ca 0.13 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.65 1upt s ALA 119 Cb 0.18 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 1upt s ALA 119 CO 0.61 0.02 0.59 0.42 0.00 0.00 0.00 175.76 177.39 1upt s ILE 120 N -1.44 4.89 -0.16 0.00 1.01 -0.88 -4.75 121.20 119.88 1upt s ILE 120 Ca 0.49 0.53 -0.00 0.00 0.00 0.00 0.00 60.65 61.66 1upt s ILE 120 Cb -0.24 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1upt s ILE 120 CO 0.30 -0.12 -0.13 -0.22 0.00 0.00 0.00 174.94 174.77 1upt s LEU 121 N -2.92 2.59 -0.16 2.97 2.96 -0.50 -1.53 118.68 122.09 1upt s LEU 121 Ca 0.48 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1upt s LEU 121 Cb -0.11 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 45.00 1upt s LEU 121 CO 0.21 0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.47 1upt s VAL 122 N 0.79 1.83 -0.24 1.68 1.01 -0.34 -2.40 120.40 122.73 1upt s VAL 122 Ca -0.05 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1upt s VAL 122 Cb -0.15 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1upt s VAL 122 CO 0.01 0.50 0.23 -0.69 0.00 0.00 0.00 175.10 175.15 1upt s VAL 123 N 1.38 5.30 -0.50 2.92 1.01 -0.17 -0.72 120.40 129.62 1upt s VAL 123 Ca 0.05 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.17 1upt s VAL 123 Cb -0.13 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1upt s VAL 123 CO -0.12 0.29 0.49 -0.36 0.00 0.00 0.00 175.10 175.40 1upt s PHE 124 N 1.35 3.18 -0.99 5.22 0.40 -0.04 -1.04 117.98 126.06 1upt s PHE 124 Ca 0.10 -0.90 -0.23 0.00 -0.60 0.00 0.00 56.93 55.30 1upt s PHE 124 Cb -0.14 -3.42 -0.01 0.00 0.51 0.00 0.00 43.02 39.96 1upt s PHE 124 CO 0.07 -0.92 1.76 0.00 0.70 0.00 0.00 175.22 176.82 1upt s ALA 125 N 1.94 2.14 0.54 5.36 0.00 -0.10 -1.34 121.76 130.30 1upt s ALA 125 Ca 0.07 -1.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 1upt s ALA 125 Cb -0.24 -4.56 0.01 0.00 0.00 0.00 0.00 23.12 18.32 1upt s ALA 125 CO 0.07 -4.34 0.82 1.21 0.00 0.00 0.00 175.76 173.52 1upt s ASN 126 N 6.60 5.65 -1.05 0.00 2.47 0.33 -1.41 114.94 127.53 1upt s ASN 126 Ca 0.60 0.53 -0.04 0.00 0.42 0.00 0.00 52.86 54.38 1upt s ASN 126 Cb -0.03 -1.61 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1upt s ASN 126 CO -0.02 -0.95 0.56 0.29 -3.72 0.00 0.00 177.10 173.26 1upt n LYS 127 N -2.40 -4.17 0.00 0.43 5.02 -0.72 -1.61 118.16 114.71 1upt n LYS 127 Ca 0.04 0.63 0.12 0.00 -2.02 0.00 0.00 58.31 57.07 1upt n LYS 127 Cb 0.58 -4.93 0.55 0.00 -0.02 0.00 0.00 35.03 31.21 1upt n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1upt n GLN 128 N -3.26 0.01 -0.49 1.97 1.13 -0.67 -4.74 117.38 111.33 1upt n GLN 128 Ca -0.05 0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1upt n GLN 128 Cb 0.57 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 1upt n GLN 128 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1upt n ASP 129 N -1.50 3.16 -0.08 1.08 5.75 -1.26 -4.91 116.55 118.79 1upt n ASP 129 Ca 0.06 -2.15 -0.12 0.00 -0.01 0.00 0.00 54.79 52.57 1upt n ASP 129 Cb 0.30 -0.84 -0.08 0.00 -1.03 0.00 0.00 41.12 39.47 1upt n ASP 129 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1upt n GLU 131 N 4.10 0.41 -0.49 0.11 1.02 -1.26 -5.04 120.64 119.48 1upt n GLU 131 Ca 0.28 0.10 0.04 0.00 -0.02 0.00 0.00 57.16 57.56 1upt n GLU 131 Cb 0.15 -1.31 0.22 0.00 -0.02 0.00 0.00 31.44 30.48 1upt n GLU 131 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1upt n GLN 132 N -3.05 3.12 0.00 3.49 1.13 -1.26 -5.17 117.38 115.64 1upt n GLN 132 Ca -0.30 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 1upt n GLN 132 Cb 0.81 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1upt n GLN 132 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1upt n ALA 133 N 0.36 0.00 -2.58 -1.58 0.00 -1.26 -4.67 120.51 110.78 1upt n ALA 133 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 1upt n ALA 133 Cb 0.76 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.12 1upt n ALA 133 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1upt s THR 135 N 0.00 3.24 0.29 0.00 -4.23 -1.26 -4.99 115.64 108.70 1upt s THR 135 Ca 0.00 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1upt s THR 135 Cb 0.00 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1upt s THR 135 CO 0.00 -0.10 1.67 -1.28 -0.54 0.00 0.00 174.62 174.38 1upt h SER 136 N 2.93 0.21 -0.23 3.99 0.87 -1.98 -2.53 113.55 116.81 1upt h SER 136 Ca -0.47 0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 1upt h SER 136 Cb 1.20 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1upt h SER 136 CO 0.54 -0.07 -0.18 -1.28 -0.53 0.00 0.00 176.83 175.31 1upt h SER 137 N 0.32 0.56 0.00 6.23 0.87 -2.04 -0.37 113.55 119.12 1upt h SER 137 Ca 0.57 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1upt h SER 137 Cb 1.12 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1upt h SER 137 CO -0.58 0.89 0.00 1.21 -0.53 0.00 0.00 176.83 177.82 1upt n GLU 138 N -4.43 0.10 0.00 2.24 2.13 -0.95 -1.74 120.64 117.99 1upt n GLU 138 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1upt n GLU 138 Cb 0.39 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1upt n GLU 138 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1upt n ALA 140 N 0.68 0.00 -0.20 4.31 0.00 -0.15 -1.72 120.51 123.43 1upt n ALA 140 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1upt n ALA 140 Cb 0.04 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.51 1upt n ALA 140 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1upt h ASN 141 N 0.00 0.76 -0.17 0.00 2.35 -1.60 -1.51 115.58 115.41 1upt h ASN 141 Ca 0.00 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1upt h ASN 141 Cb 0.00 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1upt h ASN 141 CO 0.00 0.69 -0.13 0.28 -1.65 0.00 0.00 177.43 176.62 1upt h SER 142 N 0.78 0.53 0.79 5.81 0.02 -1.59 -2.41 113.55 117.48 1upt h SER 142 Ca 0.19 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1upt h SER 142 Cb 0.15 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1upt h SER 142 CO -0.02 0.69 -0.13 0.18 -1.14 0.00 0.00 176.83 176.41 1upt n LEU 143 N -4.19 0.16 -0.18 5.07 4.77 -1.13 -4.85 117.00 116.66 1upt n LEU 143 Ca 0.01 0.32 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 1upt n LEU 143 Cb 0.34 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1upt n LEU 143 CO 0.41 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.09 1upt n GLY 144 N 1.47 0.57 0.29 -0.72 0.00 -0.91 -4.85 105.19 101.03 1upt n GLY 144 Ca 0.08 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.36 1upt n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upt h LEU 145 N 0.00 0.56 -2.48 0.99 3.38 -1.55 -2.05 115.31 114.17 1upt h LEU 145 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1upt h LEU 145 Cb 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1upt h LEU 145 CO 0.07 0.31 -0.01 -0.65 0.09 0.00 0.00 178.44 178.25 1upt h PRO 146 N 0.69 0.00 0.00 1.13 0.11 -1.93 -0.39 132.00 131.60 1upt h PRO 146 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1upt h PRO 146 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1upt h PRO 146 CO -0.27 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.53 1upt n ALA 147 N -2.29 1.80 -1.97 -0.75 0.00 -0.77 -4.45 120.51 112.08 1upt n ALA 147 Ca -0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1upt n ALA 147 Cb 0.09 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.27 1upt n ALA 147 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1upt n LEU 148 N -1.46 7.01 -0.27 0.00 4.77 -0.16 -4.77 117.00 122.12 1upt n LEU 148 Ca 0.05 -4.43 0.07 0.00 -0.03 0.00 0.00 56.01 51.67 1upt n LEU 148 Cb 0.19 -1.55 0.18 0.00 -2.33 0.00 0.00 43.42 39.90 1upt n LEU 148 CO 0.15 1.37 0.84 0.50 -1.33 0.00 0.00 177.39 178.92 1upt h LYS 149 N 5.71 0.11 -0.13 3.23 3.64 -1.85 -2.90 116.57 124.38 1upt h LYS 149 Ca 0.53 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1upt h LYS 149 Cb 0.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1upt h LYS 149 CO 1.74 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 178.75 1upt n ASP 150 N -5.34 2.20 -4.33 4.20 9.92 -1.26 -4.88 116.55 117.05 1upt n ASP 150 Ca 0.15 -1.75 -0.33 0.00 -0.53 0.00 0.00 54.79 52.33 1upt n ASP 150 Cb 0.51 -0.08 -0.15 0.00 -0.64 0.00 0.00 41.12 40.77 1upt n ASP 150 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1upt s ARG 151 N -1.85 3.19 -0.25 -1.24 6.06 -1.10 -5.08 118.95 118.68 1upt s ARG 151 Ca 0.34 -0.75 -0.29 0.00 -2.50 0.00 0.00 55.73 52.53 1upt s ARG 151 Cb 0.20 -2.50 0.01 0.00 0.06 0.00 0.00 34.95 32.72 1upt s ARG 151 CO 0.30 0.24 1.09 0.21 -2.50 0.00 0.00 175.30 174.64 1upt s LYS 152 N 0.24 4.19 0.04 5.12 2.47 -1.26 -4.96 119.74 125.58 1upt s LYS 152 Ca -0.11 1.31 -0.08 0.00 -1.56 0.00 0.00 55.97 55.53 1upt s LYS 152 Cb -0.16 -3.69 -0.00 0.00 -1.46 0.00 0.00 37.83 32.52 1upt s LYS 152 CO 0.06 -0.73 0.15 1.67 0.16 0.00 0.00 175.35 176.66 1upt s TRP 153 N 3.41 0.13 0.01 4.03 1.48 -1.26 -1.41 118.94 125.33 1upt s TRP 153 Ca 0.46 -0.41 -0.18 0.00 -1.06 0.00 0.00 56.10 54.91 1upt s TRP 153 Cb -0.15 -0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.11 1upt s TRP 153 CO 0.10 -0.41 0.39 -1.14 -4.06 0.00 0.00 176.95 171.83 1upt s GLN 154 N -2.70 0.81 -0.07 3.25 2.00 -1.01 -5.01 119.66 116.93 1upt s GLN 154 Ca -0.04 -0.22 0.02 0.00 -2.00 0.00 0.00 55.36 53.12 1upt s GLN 154 Cb -0.00 0.36 -0.03 0.00 0.80 0.00 0.00 33.01 34.14 1upt s GLN 154 CO -0.05 -0.25 -0.12 -1.50 -0.50 0.00 0.00 175.29 172.87 1upt s ILE 155 N -1.80 3.27 -0.02 -2.34 2.07 -1.26 -1.00 121.20 120.12 1upt s ILE 155 Ca -0.10 -0.63 0.03 0.00 -1.41 0.00 0.00 60.65 58.54 1upt s ILE 155 Cb -0.03 -2.32 0.00 0.00 0.13 0.00 0.00 42.46 40.24 1upt s ILE 155 CO 0.02 0.58 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.17 1upt s PHE 156 N -0.55 1.00 -0.01 3.50 0.08 -0.20 -4.96 117.98 116.84 1upt s PHE 156 Ca 0.08 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 1upt s PHE 156 Cb -0.12 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1upt s PHE 156 CO 0.02 -0.08 1.38 0.15 -0.10 0.00 0.00 175.22 176.58 1upt s LYS 157 N 0.08 4.29 0.09 0.44 1.02 -1.26 -0.92 119.74 123.47 1upt s LYS 157 Ca -0.01 1.92 0.02 0.00 0.02 0.00 0.00 55.97 57.92 1upt s LYS 157 Cb -0.08 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1upt s LYS 157 CO 0.00 -0.57 -0.07 0.95 -0.92 0.00 0.00 175.35 174.75 1upt s THR 158 N 2.45 0.68 -0.12 2.17 -4.23 -0.50 -4.17 115.64 111.93 1upt s THR 158 Ca 0.63 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1upt s THR 158 Cb -0.30 -1.54 0.04 0.00 1.34 0.00 0.00 72.50 72.04 1upt s THR 158 CO 0.26 -0.81 0.04 -0.55 -0.54 0.00 0.00 174.62 173.01 1upt s SER 159 N -2.85 2.00 0.23 3.99 0.15 -0.65 -1.67 113.70 114.90 1upt s SER 159 Ca 0.09 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1upt s SER 159 Cb 0.03 -0.40 0.25 0.00 -1.71 0.00 0.00 66.02 64.20 1upt s SER 159 CO -0.04 -0.26 1.62 0.00 1.20 0.00 0.00 173.24 175.76 1upt h ALA 160 N 8.34 0.90 -0.26 5.45 0.00 -1.92 0.26 119.26 132.03 1upt h ALA 160 Ca -0.17 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.20 1upt h ALA 160 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1upt h ALA 160 CO 0.27 0.63 -0.31 1.79 0.00 0.00 0.00 179.25 181.63 1upt h THR 161 N 0.45 1.31 -0.00 0.00 1.35 -1.95 -3.30 112.91 110.76 1upt h THR 161 Ca 0.04 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1upt h THR 161 Cb 0.87 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1upt h THR 161 CO 0.07 0.47 -0.60 1.17 -0.25 0.00 0.00 175.52 176.39 1upt n LYS 162 N -4.28 0.24 -0.09 4.72 4.81 -1.23 -4.87 118.16 117.46 1upt n LYS 162 Ca -0.04 -0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1upt n LYS 162 Cb 0.48 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.04 1upt n LYS 162 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1upt n GLY 163 N 1.47 2.45 3.77 3.14 0.00 0.06 -5.01 105.19 111.06 1upt n GLY 163 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1upt n GLY 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1upt s THR 164 N -2.97 2.67 0.00 2.61 -4.23 -1.12 -3.29 115.64 109.31 1upt s THR 164 Ca 0.00 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1upt s THR 164 Cb 0.00 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1upt s THR 164 CO 0.00 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1upt n GLY 165 N 0.66 2.47 0.28 3.99 0.00 -1.26 -1.64 105.19 109.69 1upt n GLY 165 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1upt n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1upt h LEU 166 N 0.00 0.89 -0.72 0.99 3.38 -1.81 -2.05 115.31 115.99 1upt h LEU 166 Ca 0.00 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1upt h LEU 166 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1upt h LEU 166 CO 0.00 0.85 -0.28 -0.78 0.09 0.00 0.00 178.44 178.32 1upt h ASP 167 N 0.89 0.69 -0.29 -0.43 3.58 -1.89 -2.98 116.42 115.99 1upt h ASP 167 Ca 0.20 -0.26 -0.15 0.00 0.42 0.00 0.00 57.03 57.24 1upt h ASP 167 Cb 0.26 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 1upt h ASP 167 CO -0.01 0.93 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.79 1upt h GLU 168 N 0.58 0.79 -0.57 0.28 4.81 -1.94 -0.12 114.58 118.42 1upt h GLU 168 Ca 0.07 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1upt h GLU 168 Cb 0.77 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1upt h GLU 168 CO 0.06 1.09 0.00 0.00 -0.73 0.00 0.00 179.01 179.44 1upt n ALA 169 N -2.53 1.43 0.00 2.92 0.00 -0.78 -1.79 120.51 119.75 1upt n ALA 169 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1upt n ALA 169 Cb 0.55 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1upt n ALA 169 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1upt n GLU 171 N 0.49 0.00 -0.23 0.00 2.13 -0.06 -1.67 120.64 121.30 1upt n GLU 171 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1upt n GLU 171 Cb 0.07 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.82 1upt n GLU 171 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1upt h TRP 172 N 0.00 0.95 -0.46 4.31 7.01 -1.61 -1.12 115.95 125.04 1upt h TRP 172 Ca 0.00 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1upt h TRP 172 Cb 0.00 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 1upt h TRP 172 CO 0.00 0.72 0.30 1.25 -2.79 0.00 0.00 178.44 177.92 1upt h LEU 173 N 0.90 0.53 -0.35 0.65 5.85 -1.60 0.11 115.31 121.38 1upt h LEU 173 Ca 0.22 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 1upt h LEU 173 Cb 0.15 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1upt h LEU 173 CO -0.02 0.38 -0.22 0.58 -0.34 0.00 0.00 178.44 178.82 1upt h VAL 174 N 0.62 1.29 -0.72 1.05 2.07 -1.82 -0.37 116.25 118.37 1upt h VAL 174 Ca 0.17 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1upt h VAL 174 Cb -0.07 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1upt h VAL 174 CO -0.04 0.45 0.39 -0.33 0.02 0.00 0.00 177.57 178.06 1upt h GLU 175 N 0.56 1.01 -0.37 1.57 4.39 -0.97 -2.18 114.58 118.59 1upt h GLU 175 Ca 0.07 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1upt h GLU 175 Cb 0.78 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1upt h GLU 175 CO 0.06 0.76 0.01 1.15 -1.16 0.00 0.00 179.01 179.83 1upt h THR 176 N 1.00 1.26 -0.83 1.13 2.02 -0.83 -2.20 112.91 114.45 1upt h THR 176 Ca 0.25 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1upt h THR 176 Cb 0.05 1.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1upt h THR 176 CO -0.04 0.32 0.54 -0.07 0.37 0.00 0.00 175.52 176.65 1upt h LEU 177 N 0.47 0.91 -1.52 2.58 3.38 -0.97 -2.48 115.31 117.67 1upt h LEU 177 Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1upt h LEU 177 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1upt h LEU 177 CO 0.02 0.64 -0.24 0.11 0.09 0.00 0.00 178.44 179.05 1upt h LYS 178 N 1.07 0.00 -0.00 1.13 1.57 -1.19 -2.64 116.57 116.51 1upt h LYS 178 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1upt h LYS 178 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1upt h LYS 178 CO -0.10 0.24 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.84 1upt n SER 179 N -4.19 0.45 -4.78 0.86 3.41 -0.85 -4.96 113.62 103.57 1upt n SER 179 Ca -0.02 -0.74 -0.41 0.00 -0.26 0.00 0.00 58.87 57.44 1upt n SER 179 Cb 0.30 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1upt n SER 179 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1upt s ARG 180 N -2.32 4.07 0.00 4.33 0.52 -1.00 -5.08 118.95 119.47 1upt s ARG 180 Ca 0.34 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 58.12 1upt s ARG 180 Cb 0.21 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1upt s ARG 180 CO 0.43 -0.57 0.45 0.00 0.02 0.00 0.00 175.30 175.63