#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 -3.25 3.57 -2.24 -1.26 -4.87 114.28 106.24 1upt n THR 15 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1upt n THR 15 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1upt n THR 15 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1upt s ARG 16 N 0.00 4.04 1.23 -0.78 0.52 -1.26 -5.06 118.95 117.64 1upt s ARG 16 Ca 0.00 0.61 -0.21 0.00 -0.52 0.00 0.00 55.73 55.61 1upt s ARG 16 Cb 0.00 -2.78 0.30 0.00 0.52 0.00 0.00 34.95 32.99 1upt s ARG 16 CO 0.00 0.37 1.12 -1.91 0.02 0.00 0.00 175.30 174.90 1upt n GLU 17 N 0.42 -3.07 -3.65 3.54 2.13 -1.26 -4.83 120.64 113.92 1upt n GLU 17 Ca -0.02 -1.79 -0.07 0.00 0.66 0.00 0.00 57.16 55.94 1upt n GLU 17 Cb 0.52 -1.64 -0.08 0.00 0.27 0.00 0.00 31.44 30.51 1upt n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1upt s ARG 19 N -5.54 0.60 -0.03 5.31 3.52 -1.26 -4.95 118.95 116.60 1upt s ARG 19 Ca 0.72 1.15 0.04 0.00 -0.13 0.00 0.00 55.73 57.51 1upt s ARG 19 Cb -0.07 0.21 -0.00 0.00 -1.56 0.00 0.00 34.95 33.53 1upt s ARG 19 CO 0.55 -0.16 -0.13 0.42 -0.81 0.00 0.00 175.30 175.16 1upt s ILE 20 N 1.80 1.13 -0.08 4.11 1.01 -0.59 -0.52 121.20 128.06 1upt s ILE 20 Ca -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1upt s ILE 20 Cb -0.07 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1upt s ILE 20 CO -0.18 0.33 -0.08 -0.76 0.00 0.00 0.00 174.94 174.25 1upt s LEU 21 N 0.04 3.09 -0.27 2.97 1.43 -0.68 -0.96 118.68 124.31 1upt s LEU 21 Ca -0.02 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1upt s LEU 21 Cb -0.09 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 1upt s LEU 21 CO 0.01 0.33 0.05 -0.63 0.23 0.00 0.00 176.35 176.34 1upt s ILE 22 N -0.59 3.95 0.33 -0.59 1.01 0.14 -0.52 121.20 124.92 1upt s ILE 22 Ca 0.09 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1upt s ILE 22 Cb -0.12 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1upt s ILE 22 CO 0.02 0.21 -0.00 -0.76 0.00 0.00 0.00 174.94 174.41 1upt s LEU 23 N 1.53 2.45 0.00 2.97 1.43 -0.30 -2.10 118.68 124.65 1upt s LEU 23 Ca 0.04 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 1upt s LEU 23 Cb -0.16 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.46 1upt s LEU 23 CO 0.02 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1upt n GLY 24 N -0.71 3.53 3.75 -3.19 0.00 -1.26 -0.64 105.19 106.67 1upt n GLY 24 Ca -0.04 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 3.06 0.44 0.99 1.43 -1.26 -4.19 118.68 119.15 1upt s LEU 25 Ca 0.00 1.92 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 1upt s LEU 25 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1upt s LEU 25 CO 0.00 -2.15 1.01 -0.90 0.23 0.00 0.00 176.35 174.54 1upt n ASP 26 N -3.46 1.23 0.00 2.29 5.75 -1.06 -2.33 116.55 118.98 1upt n ASP 26 Ca 0.10 1.01 0.00 0.00 -0.01 0.00 0.00 54.79 55.89 1upt n ASP 26 Cb 0.53 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 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 1.19 1.59 0.20 6.12 0.00 -1.26 -4.92 105.19 108.10 1upt n GLY 27 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 1.26 0.00 4.61 0.00 -1.80 -3.47 119.26 119.86 1upt h ALA 28 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1upt h ALA 28 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1upt h ALA 28 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1upt n GLY 29 N -0.31 1.68 0.12 0.00 0.00 -1.26 -4.43 105.19 100.98 1upt n GLY 29 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.14 0.17 -0.51 1.61 1.57 -1.91 -0.53 116.57 117.11 1upt h LYS 30 Ca 0.00 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1upt h LYS 30 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1upt h LYS 30 CO 0.00 0.11 -0.13 1.15 -0.57 0.00 0.00 179.45 180.01 1upt h THR 31 N 0.17 1.27 -0.80 -0.16 2.02 -1.96 0.39 112.91 113.84 1upt h THR 31 Ca 0.10 -1.28 0.03 0.00 0.77 0.00 0.00 66.41 66.03 1upt h THR 31 Cb 0.08 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1upt h THR 31 CO -0.12 0.45 0.52 0.74 0.37 0.00 0.00 175.52 177.48 1upt h THR 32 N 0.85 1.14 -0.22 3.16 2.02 -1.86 -1.62 112.91 116.38 1upt h THR 32 Ca 0.13 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1upt h THR 32 Cb 0.70 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1upt h THR 32 CO 0.05 0.19 0.00 0.40 0.37 0.00 0.00 175.52 176.53 1upt h ILE 33 N 1.01 1.25 -0.23 3.11 2.04 -0.70 -0.56 117.51 123.43 1upt h ILE 33 Ca 0.32 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.37 1upt h ILE 33 Cb -0.01 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1upt h ILE 33 CO -0.11 0.27 -0.17 0.25 0.00 0.00 0.00 178.15 178.39 1upt h LEU 34 N 0.15 -0.56 -0.54 1.44 5.85 -0.40 -0.16 115.31 121.08 1upt h LEU 34 Ca 0.06 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 1upt h LEU 34 Cb 0.39 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1upt h LEU 34 CO 0.01 -0.21 -0.45 1.88 -0.34 0.00 0.00 178.44 179.33 1upt h TYR 35 N -0.17 0.00 -0.64 1.25 0.05 -1.22 -1.60 116.97 114.64 1upt h TYR 35 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1upt h TYR 35 Cb 0.37 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1upt h TYR 35 CO -0.33 0.45 0.34 -0.09 -1.05 0.00 0.00 178.16 177.47 1upt h ARG 36 N 0.00 0.91 -0.50 4.88 9.65 -0.58 -1.18 114.38 127.55 1upt h ARG 36 Ca -0.00 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.69 1upt h ARG 36 Cb 1.12 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1upt h ARG 36 CO 0.06 0.70 0.01 -0.07 2.80 0.00 0.00 179.97 183.46 1upt h LEU 37 N 0.88 0.79 0.05 3.80 3.38 -0.61 -1.29 115.31 122.31 1upt h LEU 37 Ca 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1upt h LEU 37 Cb 0.06 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.61 1upt h LEU 37 CO -0.03 0.85 -0.30 -0.61 0.09 0.00 0.00 178.44 178.44 1upt h GLN 38 N 0.77 0.12 0.00 1.13 4.15 -1.03 -3.42 115.11 116.83 1upt h GLN 38 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1upt h GLN 38 Cb 0.45 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1upt h GLN 38 CO 0.02 1.07 0.00 1.33 -1.93 0.00 0.00 178.83 179.32 1upt n VAL 39 N -4.44 0.00 -1.10 2.39 0.24 -0.47 -4.85 118.33 110.11 1upt n VAL 39 Ca -0.11 -0.38 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1upt n VAL 39 Cb 0.60 1.16 -0.01 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.26 0.63 3.50 7.63 0.00 -0.49 -5.01 105.19 111.72 1upt n GLY 40 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.77 1.80 -0.30 1.61 0.41 -1.26 -4.97 118.70 114.23 1upt s GLU 41 Ca 0.00 -1.51 -0.26 0.00 -0.41 0.00 0.00 54.97 52.79 1upt s GLU 41 Cb 0.00 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.41 1upt s GLU 41 CO 0.00 0.39 0.90 0.08 -0.49 0.00 0.00 175.26 176.13 1upt s VAL 42 N -1.99 4.71 0.28 2.63 1.01 -1.26 -3.39 120.40 122.39 1upt s VAL 42 Ca 0.26 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1upt s VAL 42 Cb -0.07 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1upt s VAL 42 CO 0.14 -0.29 0.41 0.68 0.00 0.00 0.00 175.10 176.04 1upt s VAL 43 N 3.17 4.86 -0.26 2.92 -7.23 -1.26 -5.08 120.40 117.51 1upt s VAL 43 Ca 0.37 -0.96 -0.19 0.00 -1.81 0.00 0.00 61.98 59.40 1upt s VAL 43 Cb -0.14 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 1upt s VAL 43 CO 0.12 -0.29 0.56 -0.89 -0.31 0.00 0.00 175.10 174.29 1upt s THR 44 N -2.07 5.03 0.33 5.32 2.01 -1.26 -4.92 115.64 120.09 1upt s THR 44 Ca 0.38 0.94 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1upt s THR 44 Cb -0.09 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1upt s THR 44 CO 0.30 0.05 0.23 0.42 -0.69 0.00 0.00 174.62 174.93 1upt s THR 45 N 2.39 3.39 0.26 -0.82 -4.23 -1.26 -5.14 115.64 110.23 1upt s THR 45 Ca 0.23 -1.49 0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1upt s THR 45 Cb -0.16 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1upt s THR 45 CO 0.09 -0.19 -0.20 0.27 -0.54 0.00 0.00 174.62 174.06 1upt s ILE 46 N -2.34 2.40 0.22 2.99 -4.36 -1.26 -5.11 121.20 113.75 1upt s ILE 46 Ca 0.39 -2.34 -0.32 0.00 -0.26 0.00 0.00 60.65 58.13 1upt s ILE 46 Cb -0.05 -2.25 -0.13 0.00 1.25 0.00 0.00 42.46 41.28 1upt s ILE 46 CO 0.25 -0.37 1.54 -2.65 0.24 0.00 0.00 174.94 173.94 1upt n PRO 47 N -0.47 2.30 -2.83 0.37 -0.02 -1.26 -4.90 135.00 128.18 1upt n PRO 47 Ca -0.06 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 1upt n PRO 47 Cb 0.59 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.38 4.44 -1.00 3.45 2.01 -1.26 -4.96 115.64 118.71 1upt s THR 48 Ca 0.71 0.53 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 1upt s THR 48 Cb -0.61 -4.47 0.25 0.00 0.01 0.00 0.00 72.50 67.68 1upt s THR 48 CO 0.44 -0.95 0.94 -0.63 -0.69 0.00 0.00 174.62 173.73 1upt s ILE 49 N 3.82 5.28 0.00 1.82 -1.09 -1.26 -4.08 121.20 125.68 1upt s ILE 49 Ca 0.34 -3.53 0.00 0.00 -2.23 0.00 0.00 60.65 55.23 1upt s ILE 49 Cb -0.11 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1upt s ILE 49 CO 0.23 -1.13 0.00 0.61 -1.23 0.00 0.00 174.94 173.42 1upt n GLY 50 N 2.65 0.60 3.44 6.18 0.00 -1.26 -5.06 105.19 111.74 1upt n GLY 50 Ca 0.22 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.51 -0.01 1.61 -0.12 -1.26 -2.30 117.98 115.39 1upt s PHE 51 Ca 0.00 0.33 0.08 0.00 -0.05 0.00 0.00 56.93 57.29 1upt s PHE 51 Cb 0.00 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1upt s PHE 51 CO 0.00 -0.79 -0.24 -0.80 -0.05 0.00 0.00 175.22 173.34 1upt s ASN 52 N -2.65 2.82 -0.03 1.98 -0.87 -0.58 -4.99 114.94 110.62 1upt s ASN 52 Ca 0.01 -0.45 0.01 0.00 -1.57 0.00 0.00 52.86 50.86 1upt s ASN 52 Cb -0.01 -0.31 0.02 0.00 -0.02 0.00 0.00 41.25 40.93 1upt s ASN 52 CO -0.12 0.29 -0.04 0.54 -2.57 0.00 0.00 177.10 175.20 1upt s VAL 53 N -0.59 0.46 0.04 1.60 0.11 -1.26 -0.19 120.40 120.57 1upt s VAL 53 Ca 0.09 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 1upt s VAL 53 Cb -0.09 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1upt s VAL 53 CO -0.01 0.20 0.11 -1.61 -3.33 0.00 0.00 175.10 170.46 1upt s GLU 54 N 0.76 0.60 -0.13 1.54 0.41 -0.73 -4.98 118.70 116.17 1upt s GLU 54 Ca -0.10 -0.73 -0.24 0.00 -0.41 0.00 0.00 54.97 53.49 1upt s GLU 54 Cb -0.13 0.24 -0.02 0.00 -1.78 0.00 0.00 34.13 32.43 1upt s GLU 54 CO -0.00 -0.15 0.76 0.99 -0.49 0.00 0.00 175.26 176.37 1upt s THR 55 N -2.56 4.96 -0.07 3.63 2.01 -1.26 -0.47 115.64 121.88 1upt s THR 55 Ca -0.05 1.53 0.03 0.00 0.31 0.00 0.00 61.69 63.50 1upt s THR 55 Cb -0.01 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 1upt s THR 55 CO -0.04 0.13 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.18 1upt s VAL 56 N 1.57 2.99 -0.21 3.82 1.01 0.67 -4.87 120.40 125.38 1upt s VAL 56 Ca 0.37 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 1upt s VAL 56 Cb -0.17 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1upt s VAL 56 CO 0.15 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.90 1upt s THR 57 N -0.40 3.61 -0.05 3.92 2.01 -1.26 -0.60 115.64 122.88 1upt s THR 57 Ca 0.04 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1upt s THR 57 Cb -0.12 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1upt s THR 57 CO 0.02 0.43 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.87 1upt s TYR 58 N 1.23 0.75 -1.63 4.92 5.04 -0.35 -4.80 117.35 122.50 1upt s TYR 58 Ca 0.03 -0.21 -0.07 0.00 -2.44 0.00 0.00 57.07 54.38 1upt s TYR 58 Cb -0.14 -0.69 0.07 0.00 0.35 0.00 0.00 41.96 41.55 1upt s TYR 58 CO -0.00 -0.21 0.21 1.63 -1.34 0.00 0.00 175.55 175.83 1upt n LYS 59 N 4.18 -1.10 -1.10 4.97 5.02 -1.26 -0.73 118.16 128.14 1upt n LYS 59 Ca -0.23 0.13 -0.04 0.00 -2.02 0.00 0.00 58.31 56.16 1upt n LYS 59 Cb 0.51 -3.98 -0.02 0.00 -0.02 0.00 0.00 35.03 31.52 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 -2.78 -5.87 -4.86 4.39 4.13 -1.26 -4.98 115.26 104.03 1upt n ASN 60 Ca -0.20 0.09 -0.35 0.00 1.68 0.00 0.00 54.58 55.80 1upt n ASN 60 Cb 0.63 -3.68 -0.06 0.00 -1.54 0.00 0.00 39.78 35.13 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 -0.81 4.34 -0.14 3.41 1.43 0.09 -5.09 118.68 121.92 1upt s LEU 61 Ca 0.00 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1upt s LEU 61 Cb 0.00 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1upt s LEU 61 CO 0.00 0.15 0.02 -0.54 0.23 0.00 0.00 176.35 176.21 1upt s LYS 62 N -1.94 3.50 -0.04 1.70 -0.14 -1.26 -1.21 119.74 120.36 1upt s LYS 62 Ca 0.35 -0.40 0.03 0.00 -1.36 0.00 0.00 55.97 54.58 1upt s LYS 62 Cb -0.14 -2.98 0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1upt s LYS 62 CO 0.18 0.46 -0.11 -0.06 -0.76 0.00 0.00 175.35 175.06 1upt s PHE 63 N -0.18 1.16 -0.25 3.18 0.08 0.23 -4.51 117.98 117.69 1upt s PHE 63 Ca 0.06 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1upt s PHE 63 Cb -0.12 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1upt s PHE 63 CO 0.02 -0.15 0.50 -1.14 -0.10 0.00 0.00 175.22 174.35 1upt s GLN 64 N 0.33 4.09 -0.16 0.44 0.74 -1.26 -0.24 119.66 123.59 1upt s GLN 64 Ca -0.06 0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.68 1upt s GLN 64 Cb -0.11 -3.63 0.01 0.00 1.10 0.00 0.00 33.01 30.38 1upt s GLN 64 CO 0.01 -0.30 -0.20 0.08 -0.55 0.00 0.00 175.29 174.33 1upt s VAL 65 N 2.14 2.13 -0.24 1.34 1.01 0.38 -1.54 120.40 125.63 1upt s VAL 65 Ca 0.21 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 1upt s VAL 65 Cb -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1upt s VAL 65 CO 0.09 0.54 0.05 0.26 0.00 0.00 0.00 175.10 176.04 1upt s TRP 66 N 1.07 3.07 -0.38 5.22 0.52 -0.13 -1.77 118.94 126.55 1upt s TRP 66 Ca -0.01 -0.45 -0.11 0.00 0.02 0.00 0.00 56.10 55.56 1upt s TRP 66 Cb -0.14 -2.20 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1upt s TRP 66 CO -0.07 -0.34 0.21 0.34 0.02 0.00 0.00 176.95 177.11 1upt s ASP 67 N 1.47 5.72 -0.13 2.95 2.15 0.74 0.24 116.67 129.81 1upt s ASP 67 Ca 0.06 -1.05 -0.07 0.00 0.43 0.00 0.00 52.55 51.92 1upt s ASP 67 Cb -0.15 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1upt s ASP 67 CO 0.03 -0.40 0.13 -0.76 -0.17 0.00 0.00 175.17 174.00 1upt s LEU 68 N 1.54 4.34 0.52 -1.34 1.43 -0.89 -1.52 118.68 122.76 1upt s LEU 68 Ca 0.02 0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 53.33 1upt s LEU 68 Cb -0.19 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 1upt s LEU 68 CO 0.06 0.39 1.30 -0.83 0.23 0.00 0.00 176.35 177.51 1upt s GLY 69 N -0.90 2.86 0.00 -3.19 0.00 -0.97 -4.77 107.32 100.34 1upt s GLY 69 Ca 0.14 1.22 0.12 0.00 0.00 0.00 0.00 44.72 46.21 1upt s GLY 69 CO 0.03 1.73 1.09 0.61 0.00 0.00 0.00 173.10 176.57 1upt n GLY 70 N 0.64 1.31 3.63 0.20 0.00 -1.26 -4.56 105.19 105.15 1upt n GLY 70 Ca 0.09 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1upt n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1upt n LEU 71 N 0.67 2.52 -0.25 0.99 4.77 -1.26 -2.56 117.00 121.88 1upt n LEU 71 Ca 0.10 1.17 0.04 0.00 -0.03 0.00 0.00 56.01 57.29 1upt n LEU 71 Cb 0.38 -1.37 0.13 0.00 -2.33 0.00 0.00 43.42 40.23 1upt n LEU 71 CO 0.08 -1.08 0.79 0.74 -1.33 0.00 0.00 177.39 176.59 1upt h THR 72 N 2.14 0.32 0.00 -5.08 2.02 -2.00 -1.56 112.91 108.75 1upt h THR 72 Ca -0.42 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1upt h THR 72 Cb 1.32 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1upt h THR 72 CO 0.61 0.01 0.00 0.77 0.37 0.00 0.00 175.52 177.28 1upt h SER 73 N 0.06 0.00 -0.02 4.18 4.64 -1.99 -3.05 113.55 117.37 1upt h SER 73 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1upt h SER 73 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1upt h SER 73 CO -0.69 0.00 -0.13 2.30 -0.87 0.00 0.00 176.83 177.44 1upt n ILE 74 N -2.40 0.00 0.01 0.95 -5.35 -0.61 -4.51 119.36 107.45 1upt n ILE 74 Ca 0.03 -0.43 0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1upt n ILE 74 Cb 0.29 1.26 0.37 0.00 -1.74 0.00 0.00 39.64 39.81 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 2.40 0.51 0.00 6.28 3.08 -1.38 -2.29 114.38 122.99 1upt h ARG 75 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1upt h ARG 75 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1upt h ARG 75 CO 0.00 0.44 0.11 -1.35 -1.07 0.00 0.00 179.97 178.10 1upt h PRO 76 N 0.51 0.00 0.00 0.04 0.11 -1.79 -2.30 132.00 128.57 1upt h PRO 76 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1upt h PRO 76 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1upt h PRO 76 CO -0.01 0.00 -0.51 0.66 -0.21 0.00 0.00 178.00 177.93 1upt n TYR 77 N -2.72 0.13 -0.21 0.65 4.01 -0.86 -4.17 117.16 113.98 1upt n TYR 77 Ca -0.02 0.04 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 1upt n TYR 77 Cb 0.16 -0.37 0.13 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.16 0.00 -0.72 6.55 -1.53 -2.15 115.95 118.26 1upt h TRP 78 Ca 0.00 0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.88 1upt h TRP 78 Cb 0.56 0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1upt h TRP 78 CO 0.00 -0.08 -0.01 0.07 -1.05 0.00 0.00 178.44 177.37 1upt h ARG 79 N 0.23 0.00 0.00 0.49 0.11 -1.79 -1.14 114.38 112.27 1upt h ARG 79 Ca 0.34 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.42 1upt h ARG 79 Cb 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.63 1upt h ARG 79 CO -0.46 0.01 -0.01 0.00 0.10 0.00 0.00 179.97 179.60 1upt n TYR 81 N -3.18 0.15 0.23 0.00 4.01 -0.43 -4.65 117.16 113.29 1upt n TYR 81 Ca -0.02 -0.07 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 1upt n TYR 81 Cb 0.14 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.49 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 4.59 0.00 -2.47 -0.72 0.05 -1.64 -3.46 116.97 113.32 1upt h TYR 82 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.20 1upt h TYR 82 Cb 0.99 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.79 1upt h TYR 82 CO 0.07 0.06 0.73 0.43 -1.05 0.00 0.00 178.16 178.40 1upt n SER 83 N -3.13 2.99 -3.19 3.88 7.64 -1.26 -3.03 113.62 117.53 1upt n SER 83 Ca 0.03 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.84 1upt n SER 83 Cb 0.48 -1.43 0.08 0.00 -1.01 0.00 0.00 64.21 62.32 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 2.86 -3.38 -4.57 6.43 3.02 -1.26 -4.99 115.26 113.37 1upt n ASN 84 Ca 0.14 -0.52 -0.37 0.00 -0.03 0.00 0.00 54.58 53.80 1upt n ASN 84 Cb 0.30 -4.57 -0.11 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.31 4.96 0.06 3.41 2.01 -1.17 -4.61 115.64 117.00 1upt s THR 85 Ca 0.18 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1upt s THR 85 Cb -0.08 -3.33 -0.25 0.00 0.01 0.00 0.00 72.50 68.85 1upt s THR 85 CO 0.65 0.33 1.06 0.44 -0.69 0.00 0.00 174.62 176.40 1upt h ASP 86 N 7.91 0.25 -5.00 3.53 3.32 -1.17 -3.37 116.42 121.88 1upt h ASP 86 Ca -0.37 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.29 1upt h ASP 86 Cb 1.18 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.45 1upt h ASP 86 CO 0.60 1.24 -0.14 0.00 -1.72 0.00 0.00 179.24 179.22 1upt s ALA 87 N -2.66 -1.04 -0.18 3.45 0.00 -1.12 -1.72 121.76 118.50 1upt s ALA 87 Ca -0.04 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1upt s ALA 87 Cb 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1upt s ALA 87 CO 0.85 -0.31 -0.10 0.08 0.00 0.00 0.00 175.76 176.28 1upt s VAL 88 N -1.44 3.11 -0.40 0.00 1.01 0.21 -1.68 120.40 121.20 1upt s VAL 88 Ca -0.12 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1upt s VAL 88 Cb -0.03 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1upt s VAL 88 CO 0.05 0.48 0.42 -0.63 0.00 0.00 0.00 175.10 175.42 1upt s ILE 89 N 0.94 5.11 -0.38 2.22 1.01 0.32 -0.79 121.20 129.64 1upt s ILE 89 Ca -0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 1upt s ILE 89 Cb -0.15 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.36 1upt s ILE 89 CO -0.00 -0.34 0.21 -0.47 0.00 0.00 0.00 174.94 174.34 1upt s TYR 90 N 2.10 3.25 -0.17 3.97 5.04 -0.21 -1.16 117.35 130.16 1upt s TYR 90 Ca 0.12 -0.94 -0.13 0.00 -2.44 0.00 0.00 57.07 53.67 1upt s TYR 90 Cb -0.17 -2.45 -0.05 0.00 0.35 0.00 0.00 41.96 39.64 1upt s TYR 90 CO 0.13 -0.65 0.26 0.08 -1.34 0.00 0.00 175.55 174.04 1upt s VAL 91 N 1.56 5.32 -0.09 3.14 1.01 0.19 -0.83 120.40 130.70 1upt s VAL 91 Ca 0.02 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1upt s VAL 91 Cb -0.19 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1upt s VAL 91 CO 0.07 0.39 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1upt s VAL 92 N 0.53 1.44 -0.29 2.92 1.01 -0.31 -4.21 120.40 121.48 1upt s VAL 92 Ca 0.15 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1upt s VAL 92 Cb -0.13 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1upt s VAL 92 CO 0.03 0.43 1.61 -0.62 0.00 0.00 0.00 175.10 176.55 1upt s ASP 93 N 0.77 6.25 0.24 3.32 -1.08 -1.26 -0.53 116.67 124.37 1upt s ASP 93 Ca -0.12 1.36 0.18 0.00 -0.52 0.00 0.00 52.55 53.46 1upt s ASP 93 Cb -0.16 -2.53 0.91 0.00 -1.46 0.00 0.00 42.92 39.68 1upt s ASP 93 CO 0.02 -1.41 1.56 -1.20 0.52 0.00 0.00 175.17 174.66 1upt n SER 94 N 9.00 0.47 0.01 -0.34 7.64 -0.49 -1.99 113.62 127.91 1upt n SER 94 Ca 0.19 0.68 0.11 0.00 1.01 0.00 0.00 58.87 60.87 1upt n SER 94 Cb 0.46 -0.76 0.01 0.00 -1.01 0.00 0.00 64.21 62.91 1upt n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1upt n ASP 96 N -1.66 5.20 -0.13 0.00 -0.08 -0.84 -4.79 116.55 114.25 1upt n ASP 96 Ca 0.03 -3.00 -0.05 0.00 -1.51 0.00 0.00 54.79 50.27 1upt n ASP 96 Cb 0.37 -1.56 0.15 0.00 2.34 0.00 0.00 41.12 42.43 1upt n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1upt h ARG 97 N 6.89 0.83 0.00 -0.67 3.08 -1.86 -2.93 114.38 119.72 1upt h ARG 97 Ca 0.33 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1upt h ARG 97 Cb 0.83 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1upt h ARG 97 CO 1.31 0.82 -0.25 -0.44 -1.07 0.00 0.00 179.97 180.35 1upt h ASP 98 N 0.78 0.00 -0.22 7.04 3.32 -1.99 -3.22 116.42 122.13 1upt h ASP 98 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1upt h ASP 98 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1upt h ASP 98 CO 0.02 0.25 0.00 0.54 -1.72 0.00 0.00 179.24 178.32 1upt n ARG 99 N -3.67 2.40 0.20 3.56 1.74 -1.18 -4.52 116.66 115.19 1upt n ARG 99 Ca -0.01 -1.76 0.04 0.00 -0.77 0.00 0.00 57.85 55.35 1upt n ARG 99 Cb 0.37 -1.20 0.45 0.00 -1.02 0.00 0.00 32.46 31.05 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 1.59 1.17 -0.55 0.55 2.10 -1.53 -1.99 117.51 118.85 1upt h ILE 100 Ca 0.00 -0.82 -0.03 0.00 1.08 0.00 0.00 64.86 65.09 1upt h ILE 100 Cb 0.62 1.41 -0.03 0.00 -1.09 0.00 0.00 36.82 37.73 1upt h ILE 100 CO 0.00 0.24 0.22 1.23 -1.08 0.00 0.00 178.15 178.76 1upt h GLY 101 N 0.72 0.85 0.94 8.18 0.00 -1.81 0.41 103.07 112.35 1upt h GLY 101 Ca 0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1upt h GLY 101 CO 0.03 0.40 0.03 -2.22 0.00 0.00 0.00 176.54 174.79 1upt h ILE 102 N 0.79 1.25 -0.77 2.60 1.08 -1.68 -2.00 117.51 118.77 1upt h ILE 102 Ca 0.19 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 1upt h ILE 102 Cb 0.15 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 1upt h ILE 102 CO -0.02 0.32 0.42 0.28 -0.69 0.00 0.00 178.15 178.46 1upt h SER 103 N 0.51 0.96 -0.16 1.72 0.02 -0.85 -0.44 113.55 115.31 1upt h SER 103 Ca 0.12 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1upt h SER 103 Cb 0.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1upt h SER 103 CO 0.01 0.77 0.08 0.50 -1.14 0.00 0.00 176.83 177.06 1upt h LYS 104 N 1.07 0.23 -0.06 3.45 3.64 -0.81 -2.13 116.57 121.96 1upt h LYS 104 Ca 0.27 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1upt h LYS 104 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1upt h LYS 104 CO -0.04 0.26 -0.60 0.66 -2.27 0.00 0.00 179.45 177.46 1upt h SER 105 N 0.14 0.23 0.17 4.20 4.64 -1.06 -1.35 113.55 120.52 1upt h SER 105 Ca 0.06 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1upt h SER 105 Cb 0.10 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1upt h SER 105 CO -0.01 0.78 -0.42 -0.33 -0.87 0.00 0.00 176.83 175.98 1upt h GLU 106 N 0.15 0.32 -0.20 4.77 4.39 -1.06 -2.23 114.58 120.72 1upt h GLU 106 Ca -0.01 -0.16 -0.19 0.00 0.34 0.00 0.00 59.36 59.34 1upt h GLU 106 Cb 1.10 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1upt h GLU 106 CO 0.09 0.69 -0.63 1.25 -1.16 0.00 0.00 179.01 179.25 1upt h LEU 107 N 0.27 0.90 -0.21 1.33 5.85 -1.04 -3.05 115.31 119.37 1upt h LEU 107 Ca 0.02 -0.59 0.02 0.00 0.84 0.00 0.00 57.88 58.17 1upt h LEU 107 Cb 0.85 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1upt h LEU 107 CO 0.07 1.34 0.08 0.58 -0.34 0.00 0.00 178.44 180.17 1upt h VAL 108 N 0.52 0.96 0.00 1.05 2.07 -1.18 -2.22 116.25 117.45 1upt h VAL 108 Ca -0.02 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1upt h VAL 108 Cb 1.26 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1upt h VAL 108 CO 0.13 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1upt n ALA 109 N -2.23 1.33 0.00 1.67 0.00 -0.85 -2.20 120.51 118.23 1upt n ALA 109 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1upt n ALA 109 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.72 0.00 0.06 0.00 4.77 -0.83 -3.82 117.00 117.89 1upt n LEU 111 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1upt n LEU 111 Cb 0.02 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.61 1upt n LEU 111 CO 0.00 0.00 0.91 -0.62 -1.33 0.00 0.00 177.39 176.35 1upt n GLU 112 N 0.00 0.14 -2.47 3.23 -0.58 -0.94 -4.88 120.64 115.15 1upt n GLU 112 Ca 0.00 0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.45 1upt n GLU 112 Cb 0.00 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.17 1upt n GLU 112 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1upt s GLU 113 N -3.06 4.44 0.38 3.49 0.41 -1.25 -4.93 118.70 118.18 1upt s GLU 113 Ca 0.12 1.70 0.10 0.00 -0.41 0.00 0.00 54.97 56.48 1upt s GLU 113 Cb 0.15 -3.40 0.87 0.00 -1.78 0.00 0.00 34.13 29.96 1upt s GLU 113 CO 0.55 -0.26 1.93 0.93 -0.49 0.00 0.00 175.26 177.93 1upt h GLU 114 N 6.92 0.60 0.00 1.61 5.08 -1.97 -2.18 114.58 124.64 1upt h GLU 114 Ca -0.40 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1upt h GLU 114 Cb 1.21 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1upt h GLU 114 CO 0.81 0.40 -0.07 0.93 -1.00 0.00 0.00 179.01 180.08 1upt h GLU 115 N 0.62 0.00 -0.61 2.33 5.08 -1.91 -2.21 114.58 117.88 1upt h GLU 115 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1upt h GLU 115 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1upt h GLU 115 CO -0.13 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 1upt n LEU 116 N -3.35 3.61 -0.19 1.33 4.77 -0.82 -4.55 117.00 117.80 1upt n LEU 116 Ca -0.01 -1.82 -0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1upt n LEU 116 Cb 0.24 -0.47 0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1upt n LEU 116 CO 0.27 0.73 0.92 -0.09 -1.33 0.00 0.00 177.39 177.90 1upt h ARG 117 N 3.40 0.26 -0.01 3.23 2.43 -1.47 -2.30 114.38 119.92 1upt h ARG 117 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1upt h ARG 117 Cb 1.03 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1upt h ARG 117 CO 0.11 0.17 -0.36 0.36 -1.51 0.00 0.00 179.97 178.74 1upt n LYS 118 N -5.11 0.65 -2.02 0.20 2.85 -1.26 -4.94 118.16 108.52 1upt n LYS 118 Ca 0.08 -0.41 -0.41 0.00 -1.05 0.00 0.00 58.31 56.52 1upt n LYS 118 Cb 0.30 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.17 1upt n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1upt s ALA 119 N -2.63 3.58 0.30 0.58 0.00 -0.87 -4.92 121.76 117.81 1upt s ALA 119 Ca 0.20 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 1upt s ALA 119 Cb 0.19 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1upt s ALA 119 CO 0.58 -0.74 1.04 0.42 0.00 0.00 0.00 175.76 177.06 1upt s ILE 120 N -0.44 3.73 -0.24 0.00 1.01 -0.70 -4.68 121.20 119.88 1upt s ILE 120 Ca 0.56 1.60 -0.06 0.00 0.00 0.00 0.00 60.65 62.76 1upt s ILE 120 Cb -0.42 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1upt s ILE 120 CO 0.48 0.28 0.01 -0.22 0.00 0.00 0.00 174.94 175.49 1upt s LEU 121 N -1.74 3.21 -0.18 2.97 2.96 -0.49 -0.62 118.68 124.79 1upt s LEU 121 Ca 0.48 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1upt s LEU 121 Cb -0.27 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1upt s LEU 121 CO 0.34 -0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.55 1upt s VAL 122 N 1.54 3.14 -0.27 1.68 1.01 0.03 -2.45 120.40 125.08 1upt s VAL 122 Ca 0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1upt s VAL 122 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1upt s VAL 122 CO 0.00 0.48 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 1upt s VAL 123 N 1.00 5.01 -0.51 2.92 1.01 -0.02 -1.05 120.40 128.76 1upt s VAL 123 Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1upt s VAL 123 Cb -0.15 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.93 1upt s VAL 123 CO -0.01 0.27 0.56 -0.36 0.00 0.00 0.00 175.10 175.57 1upt s PHE 124 N 1.72 3.11 -0.92 5.22 0.40 -0.01 -0.82 117.98 126.66 1upt s PHE 124 Ca 0.07 -0.74 -0.24 0.00 -0.60 0.00 0.00 56.93 55.42 1upt s PHE 124 Cb -0.16 -3.51 0.05 0.00 0.51 0.00 0.00 43.02 39.92 1upt s PHE 124 CO 0.09 -1.00 1.35 0.00 0.70 0.00 0.00 175.22 176.36 1upt s ALA 125 N 2.31 2.80 0.42 5.36 0.00 0.09 -1.17 121.76 131.58 1upt s ALA 125 Ca 0.11 -2.07 0.06 0.00 0.00 0.00 0.00 51.96 50.06 1upt s ALA 125 Cb -0.22 -4.39 0.01 0.00 0.00 0.00 0.00 23.12 18.52 1upt s ALA 125 CO 0.09 -3.44 0.58 1.21 0.00 0.00 0.00 175.76 174.21 1upt s ASN 126 N 4.48 5.71 -1.41 0.00 2.47 0.31 -1.16 114.94 125.34 1upt s ASN 126 Ca 0.41 -0.22 -0.04 0.00 0.42 0.00 0.00 52.86 53.43 1upt s ASN 126 Cb -0.03 -0.95 0.00 0.00 -1.45 0.00 0.00 41.25 38.82 1upt s ASN 126 CO -0.03 -0.72 0.55 0.29 -3.72 0.00 0.00 177.10 173.47 1upt n LYS 127 N -1.89 -4.41 0.00 0.43 5.02 -0.89 -1.40 118.16 115.02 1upt n LYS 127 Ca 0.05 0.83 0.10 0.00 -2.02 0.00 0.00 58.31 57.26 1upt n LYS 127 Cb 0.59 -5.50 0.48 0.00 -0.02 0.00 0.00 35.03 30.58 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 -3.70 0.24 -0.58 1.97 1.13 -0.49 -4.76 117.38 111.18 1upt n GLN 128 Ca -0.10 0.11 -0.14 0.00 -1.94 0.00 0.00 57.00 54.93 1upt n GLN 128 Cb 0.61 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.32 3.63 -0.03 1.08 5.75 -1.26 -4.92 116.55 119.48 1upt n ASP 129 Ca 0.09 -2.16 -0.04 0.00 -0.01 0.00 0.00 54.79 52.66 1upt n ASP 129 Cb 0.17 -0.89 -0.03 0.00 -1.03 0.00 0.00 41.12 39.33 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 3.72 0.34 -1.03 0.11 1.02 -1.26 -5.06 120.64 118.49 1upt n GLU 131 Ca 0.32 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.33 1upt n GLU 131 Cb 0.24 -1.13 0.20 0.00 -0.02 0.00 0.00 31.44 30.72 1upt n GLU 131 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1upt n GLN 132 N -2.67 2.53 0.00 3.49 -0.06 -1.26 -5.15 117.38 114.27 1upt n GLN 132 Ca -0.12 -2.67 0.00 0.00 -2.00 0.00 0.00 57.00 52.22 1upt n GLN 132 Cb 0.63 -2.06 0.00 0.00 -4.06 0.00 0.00 30.24 24.75 1upt n GLN 132 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1upt n ALA 133 N -0.67 0.00 -2.57 1.69 0.00 -1.26 -4.73 120.51 112.96 1upt n ALA 133 Ca 0.47 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1upt n ALA 133 Cb 1.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.82 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 3.04 0.23 0.00 -4.23 -1.26 -4.98 115.64 108.43 1upt s THR 135 Ca 0.00 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.38 1upt s THR 135 Cb 0.00 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.35 1upt s THR 135 CO 0.00 -0.35 1.84 -1.28 -0.54 0.00 0.00 174.62 174.28 1upt h SER 136 N 1.98 0.73 -0.40 3.99 0.87 -2.00 -2.99 113.55 115.74 1upt h SER 136 Ca -0.43 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.05 1upt h SER 136 Cb 1.25 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1upt h SER 136 CO 0.61 0.47 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.96 1upt h SER 137 N 0.87 0.82 0.00 6.23 0.87 -2.04 -1.21 113.55 119.09 1upt h SER 137 Ca 0.34 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1upt h SER 137 Cb 0.17 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1upt h SER 137 CO -0.17 1.02 0.00 -1.84 -0.53 0.00 0.00 176.83 175.30 1upt n GLU 138 N -4.29 0.58 0.00 2.24 0.28 -1.13 -2.82 120.64 115.49 1upt n GLU 138 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1upt n GLU 138 Cb 0.39 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.05 1upt n GLU 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1upt n ALA 140 N 1.28 0.00 -0.06 -1.84 0.00 -0.46 -1.05 120.51 118.38 1upt n ALA 140 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1upt n ALA 140 Cb 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 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 0.65 0.66 0.00 2.35 -1.79 -1.11 115.58 116.34 1upt h ASN 141 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1upt h ASN 141 Cb 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1upt h ASN 141 CO 0.00 1.08 0.00 0.28 -1.65 0.00 0.00 177.43 177.14 1upt h SER 142 N 0.24 0.00 0.02 5.81 0.02 -1.38 -2.03 113.55 116.23 1upt h SER 142 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1upt h SER 142 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1upt h SER 142 CO 0.08 0.00 -0.25 0.18 -1.14 0.00 0.00 176.83 175.70 1upt n LEU 143 N -3.04 2.06 -1.44 5.07 4.77 -1.17 -4.63 117.00 118.62 1upt n LEU 143 Ca -0.01 -0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1upt n LEU 143 Cb 0.22 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1upt n LEU 143 CO 0.24 0.36 -0.16 0.61 -1.33 0.00 0.00 177.39 177.11 1upt n GLY 144 N 1.36 -0.09 0.29 -0.72 0.00 -0.77 -4.68 105.19 100.58 1upt n GLY 144 Ca 0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 0.90 -2.50 0.99 3.38 -1.45 -2.75 115.31 113.88 1upt h LEU 145 Ca -0.30 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1upt h LEU 145 Cb 1.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1upt h LEU 145 CO 0.36 0.81 0.00 -0.65 0.09 0.00 0.00 178.44 179.05 1upt h PRO 146 N 0.94 0.00 0.00 1.13 0.11 -1.93 -2.14 132.00 130.11 1upt h PRO 146 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1upt h PRO 146 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1upt h PRO 146 CO -0.02 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.77 1upt h ALA 147 N 2.00 1.00 -2.42 -0.75 0.00 -1.87 -3.46 119.26 113.75 1upt h ALA 147 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1upt h ALA 147 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1upt h ALA 147 CO -0.00 0.00 1.07 -0.51 0.00 0.00 0.00 179.25 179.81 1upt s LEU 148 N -5.82 4.38 0.01 0.00 1.43 -0.81 -4.99 118.68 112.88 1upt s LEU 148 Ca 0.04 2.54 -0.08 0.00 -1.03 0.00 0.00 54.13 55.61 1upt s LEU 148 Cb 0.08 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1upt s LEU 148 CO 0.57 -0.94 0.29 -0.54 0.23 0.00 0.00 176.35 175.96 1upt s LYS 149 N 3.13 3.62 -1.33 1.70 1.02 -1.26 -4.57 119.74 122.05 1upt s LYS 149 Ca 0.78 -0.01 -0.02 0.00 0.02 0.00 0.00 55.97 56.74 1upt s LYS 149 Cb -0.41 -3.08 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1upt s LYS 149 CO 0.34 0.65 0.77 -0.25 -0.92 0.00 0.00 175.35 175.94 1upt n ASP 150 N 1.19 -1.84 -3.76 2.83 8.00 -1.26 -4.97 116.55 116.74 1upt n ASP 150 Ca -0.11 -0.79 -0.16 0.00 0.71 0.00 0.00 54.79 54.44 1upt n ASP 150 Cb 0.53 -4.15 -0.16 0.00 -0.02 0.00 0.00 41.12 37.32 1upt n ASP 150 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1upt s ARG 151 N -6.02 -0.01 -0.25 -1.24 6.06 -1.26 -5.00 118.95 111.23 1upt s ARG 151 Ca 0.11 0.20 -0.23 0.00 -2.50 0.00 0.00 55.73 53.30 1upt s ARG 151 Cb -0.05 -0.30 -0.01 0.00 0.06 0.00 0.00 34.95 34.65 1upt s ARG 151 CO 0.81 -0.18 0.78 0.15 -2.50 0.00 0.00 175.30 174.35 1upt s LYS 152 N 1.19 4.15 0.02 5.12 1.02 -1.26 -5.03 119.74 124.95 1upt s LYS 152 Ca -0.08 0.82 -0.10 0.00 0.02 0.00 0.00 55.97 56.63 1upt s LYS 152 Cb -0.13 -3.65 0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1upt s LYS 152 CO -0.03 -0.51 0.21 1.67 -0.92 0.00 0.00 175.35 175.77 1upt s TRP 153 N 2.78 0.00 0.00 3.18 1.48 -1.26 -1.39 118.94 123.73 1upt s TRP 153 Ca 0.33 -0.14 -0.17 0.00 -1.06 0.00 0.00 56.10 55.05 1upt s TRP 153 Cb -0.15 -0.00 0.03 0.00 -1.16 0.00 0.00 33.47 32.19 1upt s TRP 153 CO 0.08 -0.40 0.37 -1.14 -4.06 0.00 0.00 176.95 171.80 1upt s GLN 154 N -2.14 0.79 -0.08 3.25 2.00 -1.02 -5.01 119.66 117.44 1upt s GLN 154 Ca -0.08 -0.22 -0.00 0.00 -2.00 0.00 0.00 55.36 53.06 1upt s GLN 154 Cb -0.03 0.35 -0.03 0.00 0.80 0.00 0.00 33.01 34.10 1upt s GLN 154 CO -0.01 -0.24 -0.06 -1.50 -0.50 0.00 0.00 175.29 172.98 1upt s ILE 155 N -1.71 3.76 -0.02 -2.34 2.07 -1.26 -0.84 121.20 120.86 1upt s ILE 155 Ca -0.10 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 1upt s ILE 155 Cb -0.03 -2.56 -0.00 0.00 0.13 0.00 0.00 42.46 40.00 1upt s ILE 155 CO 0.03 0.58 -0.09 -0.36 -1.91 0.00 0.00 174.94 173.18 1upt s PHE 156 N -0.62 0.95 -0.10 3.50 0.08 -0.00 -4.96 117.98 116.83 1upt s PHE 156 Ca 0.09 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 1upt s PHE 156 Cb -0.12 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 1upt s PHE 156 CO 0.02 -0.08 1.29 0.15 -0.10 0.00 0.00 175.22 176.50 1upt s LYS 157 N 0.06 4.27 0.12 0.44 1.02 -1.26 -0.73 119.74 123.67 1upt s LYS 157 Ca -0.01 1.75 0.05 0.00 0.02 0.00 0.00 55.97 57.77 1upt s LYS 157 Cb -0.07 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 1upt s LYS 157 CO 0.00 -0.61 -0.12 0.95 -0.92 0.00 0.00 175.35 174.65 1upt s THR 158 N 2.97 1.16 -0.17 2.17 -4.23 -0.31 -4.18 115.64 113.03 1upt s THR 158 Ca 0.58 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1upt s THR 158 Cb -0.25 -1.53 0.05 0.00 1.34 0.00 0.00 72.50 72.11 1upt s THR 158 CO 0.20 -0.53 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.17 1upt s SER 159 N -2.59 2.88 0.33 3.99 0.15 -0.26 -1.40 113.70 116.79 1upt s SER 159 Ca 0.09 -0.72 0.14 0.00 0.70 0.00 0.00 55.95 56.16 1upt s SER 159 Cb -0.03 -0.82 0.55 0.00 -1.71 0.00 0.00 66.02 64.02 1upt s SER 159 CO 0.01 -0.23 1.70 0.00 1.20 0.00 0.00 173.24 175.93 1upt h ALA 160 N 8.15 1.06 0.02 5.45 0.00 -1.94 0.72 119.26 132.73 1upt h ALA 160 Ca -0.21 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 53.99 1upt h ALA 160 Cb 1.11 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.84 1upt h ALA 160 CO 0.37 0.60 -1.06 1.79 0.00 0.00 0.00 179.25 180.95 1upt h THR 161 N 0.00 1.28 0.00 0.00 1.35 -1.95 -3.33 112.91 110.26 1upt h THR 161 Ca -0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1upt h THR 161 Cb 0.93 2.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 1upt h THR 161 CO 0.06 0.70 -0.61 0.11 -0.25 0.00 0.00 175.52 175.54 1upt h LYS 162 N 0.37 0.00 0.00 4.72 1.79 -1.97 -3.47 116.57 118.00 1upt h LYS 162 Ca -0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1upt h LYS 162 Cb 1.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1upt h LYS 162 CO 0.21 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 1upt n GLY 163 N 1.24 1.04 3.75 3.86 0.00 0.22 -5.04 105.19 110.26 1upt n GLY 163 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.84 3.85 0.00 2.61 -4.23 -1.02 -3.83 115.64 110.19 1upt s THR 164 Ca 0.00 1.82 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1upt s THR 164 Cb 0.00 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.68 1upt s THR 164 CO 0.00 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 1upt n GLY 165 N 1.47 2.55 0.19 3.99 0.00 -1.26 -1.10 105.19 111.04 1upt n GLY 165 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.80 -0.59 0.99 4.07 -1.83 -2.79 115.31 115.95 1upt h LEU 166 Ca 0.00 -0.66 0.02 0.00 0.08 0.00 0.00 57.88 57.32 1upt h LEU 166 Cb 0.00 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 1upt h LEU 166 CO 0.00 1.33 0.37 0.44 -1.08 0.00 0.00 178.44 179.51 1upt h ASP 167 N 0.32 0.63 -0.65 -0.43 3.32 -1.90 -2.85 116.42 114.85 1upt h ASP 167 Ca -0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1upt h ASP 167 Cb 1.35 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1upt h ASP 167 CO 0.14 0.44 0.25 -0.08 -1.72 0.00 0.00 179.24 178.28 1upt h GLU 168 N 0.75 1.01 -0.79 3.56 4.81 -1.97 -0.62 114.58 121.33 1upt h GLU 168 Ca 0.23 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1upt h GLU 168 Cb -0.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1upt h GLU 168 CO -0.08 0.84 0.00 0.00 -0.73 0.00 0.00 179.01 179.04 1upt n ALA 169 N -2.45 1.72 0.00 2.92 0.00 -1.06 -1.92 120.51 119.72 1upt n ALA 169 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1upt n ALA 169 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 0.45 0.00 -0.14 0.00 2.13 -0.24 -1.33 120.64 121.52 1upt n GLU 171 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1upt n GLU 171 Cb 0.14 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.84 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 0.60 -0.25 4.31 7.01 -1.64 -1.48 115.95 124.51 1upt h TRP 172 Ca 0.00 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.00 1upt h TRP 172 Cb 0.00 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.84 1upt h TRP 172 CO 0.00 0.51 0.03 1.25 -2.79 0.00 0.00 178.44 177.44 1upt h LEU 173 N 0.52 -0.03 -0.35 0.65 5.85 -1.48 -1.06 115.31 119.40 1upt h LEU 173 Ca 0.14 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1upt h LEU 173 Cb 0.14 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1upt h LEU 173 CO -0.02 0.01 0.10 0.58 -0.34 0.00 0.00 178.44 178.78 1upt h VAL 174 N 0.12 1.22 -0.74 1.05 2.07 -1.81 -0.53 116.25 117.63 1upt h VAL 174 Ca 0.12 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1upt h VAL 174 Cb 0.13 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1upt h VAL 174 CO -0.17 0.25 0.27 -0.08 0.02 0.00 0.00 177.57 177.85 1upt h GLU 175 N 0.42 1.11 -0.30 1.57 4.81 -1.11 -1.21 114.58 119.87 1upt h GLU 175 Ca 0.11 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 1upt h GLU 175 Cb 0.28 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1upt h GLU 175 CO -0.00 0.92 -0.40 1.15 -0.73 0.00 0.00 179.01 179.95 1upt h THR 176 N 1.08 1.29 -0.66 0.32 2.02 -0.88 -2.44 112.91 113.63 1upt h THR 176 Ca 0.24 -1.58 0.02 0.00 0.77 0.00 0.00 66.41 65.86 1upt h THR 176 Cb 0.24 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1upt h THR 176 CO -0.02 0.51 0.44 -0.07 0.37 0.00 0.00 175.52 176.75 1upt h LEU 177 N 0.56 0.72 -0.60 2.58 3.38 -0.91 -2.85 115.31 118.19 1upt h LEU 177 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1upt h LEU 177 Cb 0.99 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1upt h LEU 177 CO 0.09 0.51 0.27 0.11 0.09 0.00 0.00 178.44 179.52 1upt h LYS 178 N 0.85 0.88 -0.06 1.13 1.57 -0.76 -2.96 116.57 117.23 1upt h LYS 178 Ca 0.25 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1upt h LYS 178 Cb -0.03 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1upt h LYS 178 CO -0.06 0.73 0.00 -1.13 -0.57 0.00 0.00 179.45 178.41 1upt n SER 179 N -4.50 1.40 0.00 0.86 3.41 -1.02 -5.11 113.62 108.66 1upt n SER 179 Ca 0.04 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1upt n SER 179 Cb 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1upt n SER 179 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42