#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a0s s GLN 19 N 0.00 4.12 -0.00 -0.67 -1.52 -1.26 -5.01 119.66 115.32 2a0s s GLN 19 Ca 0.00 -0.02 -0.27 0.00 -1.95 0.00 0.00 55.36 53.12 2a0s s GLN 19 Cb 0.00 -3.54 -0.04 0.00 -0.22 0.00 0.00 33.01 29.21 2a0s s GLN 19 CO 0.00 -0.00 0.84 0.42 -0.25 0.00 0.00 175.29 176.30 2a0s s ILE 20 N 1.22 4.87 0.01 1.08 1.01 -1.26 -1.77 121.20 126.37 2a0s s ILE 20 Ca 0.14 1.77 0.03 0.00 0.00 0.00 0.00 60.65 62.58 2a0s s ILE 20 Cb -0.14 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 2a0s s ILE 20 CO 0.06 0.24 -0.10 0.00 0.00 0.00 0.00 174.94 175.15 2a0s s ALA 21 N 0.65 0.78 -0.20 9.38 0.00 0.04 -4.96 121.76 127.44 2a0s s ALA 21 Ca 0.44 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 2a0s s ALA 21 Cb -0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2a0s s ALA 21 CO 0.24 0.15 0.04 -2.00 0.00 0.00 0.00 175.76 174.19 2a0s s GLU 22 N -0.66 3.77 -0.13 0.00 2.12 -1.26 -2.39 118.70 120.16 2a0s s GLU 22 Ca 0.01 -0.44 -0.04 0.00 0.36 0.00 0.00 54.97 54.86 2a0s s GLU 22 Cb -0.05 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2a0s s GLU 22 CO 0.00 0.07 0.01 -0.51 -0.54 0.00 0.00 175.26 174.29 2a0s s LEU 23 N 0.90 3.60 -0.09 2.70 1.02 0.44 -4.95 118.68 122.30 2a0s s LEU 23 Ca 0.03 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.28 2a0s s LEU 23 Cb -0.14 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.22 2a0s s LEU 23 CO 0.02 0.28 -0.16 -0.22 0.02 0.00 0.00 176.35 176.29 2a0s s LEU 24 N -0.30 1.78 -0.24 1.79 2.96 -1.26 -1.26 118.68 122.16 2a0s s LEU 24 Ca 0.07 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2a0s s LEU 24 Cb -0.12 -1.08 0.05 0.00 0.50 0.00 0.00 46.19 45.53 2a0s s LEU 24 CO 0.02 0.05 -0.13 0.68 -1.32 0.00 0.00 176.35 175.66 2a0s s VAL 25 N 0.75 2.24 -0.03 1.68 -7.23 -0.47 -5.01 120.40 112.33 2a0s s VAL 25 Ca -0.12 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 2a0s s VAL 25 Cb -0.16 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.61 2a0s s VAL 25 CO 0.02 0.15 -0.01 -1.83 -0.31 0.00 0.00 175.10 173.12 2a0s s GLU 26 N 1.18 0.40 -0.13 4.82 -1.05 -1.26 -1.86 118.70 120.81 2a0s s GLU 26 Ca -0.04 0.03 -0.24 0.00 -0.15 0.00 0.00 54.97 54.57 2a0s s GLU 26 Cb -0.18 -0.54 0.06 0.00 -0.44 0.00 0.00 34.13 33.03 2a0s s GLU 26 CO -0.07 -0.11 0.59 0.45 0.95 0.00 0.00 175.26 177.07 2a0s s SER 27 N 0.93 -0.58 0.24 0.83 0.15 -1.26 -5.00 113.70 109.01 2a0s s SER 27 Ca -0.10 0.86 0.16 0.00 0.70 0.00 0.00 55.95 57.57 2a0s s SER 27 Cb -0.13 0.84 0.87 0.00 -1.71 0.00 0.00 66.02 65.89 2a0s s SER 27 CO -0.01 -0.40 1.49 -2.65 1.20 0.00 0.00 173.24 172.87 2a0s n PRO 28 N 1.83 0.10 0.08 5.44 -0.02 -1.26 -1.78 135.00 139.39 2a0s n PRO 28 Ca -0.17 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 2a0s n PRO 28 Cb 0.56 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 2a0s n PRO 28 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2a0s h LEU 29 N 0.00 0.32 -5.93 2.45 6.46 -1.97 -3.35 115.31 113.29 2a0s h LEU 29 Ca 0.00 -0.21 -0.70 0.00 -0.12 0.00 0.00 57.88 56.86 2a0s h LEU 29 Cb 0.01 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2a0s h LEU 29 CO 0.00 0.92 3.13 0.49 -0.62 0.00 0.00 178.44 182.36 2a0s n PHE 30 N -3.81 3.22 -4.13 1.25 3.72 -0.73 -4.89 117.46 112.10 2a0s n PHE 30 Ca -0.03 -2.86 -0.16 0.00 -0.05 0.00 0.00 57.45 54.35 2a0s n PHE 30 Cb 0.69 -2.46 -0.12 0.00 -0.94 0.00 0.00 39.48 36.66 2a0s n PHE 30 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2a0s s SER 31 N 3.27 1.33 -0.12 4.37 0.01 -1.26 -0.87 113.70 120.42 2a0s s SER 31 Ca 0.50 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 57.11 2a0s s SER 31 Cb 0.14 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.41 2a0s s SER 31 CO -0.07 -0.16 0.02 0.72 0.41 0.00 0.00 173.24 174.16 2a0s s PHE 32 N -1.53 0.78 -0.48 2.43 -0.12 -0.83 -4.61 117.98 113.62 2a0s s PHE 32 Ca -0.04 -0.44 -0.23 0.00 -0.05 0.00 0.00 56.93 56.18 2a0s s PHE 32 Cb -0.09 -0.88 0.03 0.00 -0.63 0.00 0.00 43.02 41.45 2a0s s PHE 32 CO 0.01 -0.45 0.81 -0.80 -0.05 0.00 0.00 175.22 174.74 2a0s s ASN 33 N 1.94 6.38 0.10 1.98 0.01 -1.26 -1.95 114.94 122.14 2a0s s ASN 33 Ca 0.03 -0.23 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 2a0s s ASN 33 Cb -0.14 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2a0s s ASN 33 CO -0.06 -0.99 -0.09 0.00 -1.51 0.00 0.00 177.10 174.45 2a0s s ALA 35 N -2.99 3.96 0.12 0.00 0.00 -0.55 -1.16 121.76 121.14 2a0s s ALA 35 Ca 0.09 -0.78 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 2a0s s ALA 35 Cb 0.01 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.31 2a0s s ALA 35 CO -0.02 0.79 1.03 -3.38 0.00 0.00 0.00 175.76 174.19 2a0s s HIS 36 N -1.55 -0.10 -0.13 0.00 -3.43 -0.21 -0.25 115.29 109.62 2a0s s HIS 36 Ca 0.36 -0.16 -0.15 0.00 -0.80 0.00 0.00 55.06 54.31 2a0s s HIS 36 Cb -0.13 0.62 0.04 0.00 -1.43 0.00 0.00 32.58 31.68 2a0s s HIS 36 CO 0.27 -0.71 0.40 -0.59 -2.00 0.00 0.00 174.74 172.11 2a0s s PHE 37 N -3.06 -0.41 0.11 0.38 -0.12 -1.26 -2.15 117.98 111.46 2a0s s PHE 37 Ca 0.13 0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 57.68 2a0s s PHE 37 Cb -0.00 0.15 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 2a0s s PHE 37 CO 0.01 -0.25 1.03 0.42 -0.05 0.00 0.00 175.22 176.38 2a0s s ILE 38 N -0.05 4.33 -0.04 -4.49 -1.09 -1.26 -4.69 121.20 113.92 2a0s s ILE 38 Ca -0.02 1.88 -0.01 0.00 -2.23 0.00 0.00 60.65 60.26 2a0s s ILE 38 Cb -0.03 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.68 2a0s s ILE 38 CO 0.01 0.26 0.06 0.00 -1.23 0.00 0.00 174.94 174.04 2a0s s ALA 39 N 0.21 0.11 0.14 9.38 0.00 -1.26 -2.30 121.76 128.04 2a0s s ALA 39 Ca 0.50 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.78 2a0s s ALA 39 Cb -0.25 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2a0s s ALA 39 CO 0.31 -0.32 0.13 1.97 0.00 0.00 0.00 175.76 177.85 2a0s n PHE 40 N 4.78 -0.43 -1.61 0.00 1.16 -0.62 -4.87 117.46 115.87 2a0s n PHE 40 Ca -0.15 -1.13 -0.44 0.00 -1.87 0.00 0.00 57.45 53.86 2a0s n PHE 40 Cb 0.50 0.14 -0.03 0.00 -1.61 0.00 0.00 39.48 38.48 2a0s n PHE 40 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2a0s n LYS 41 N -0.26 2.17 -0.74 3.97 5.02 -1.26 -1.85 118.16 125.21 2a0s n LYS 41 Ca 0.03 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2a0s n LYS 41 Cb 0.25 -3.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.20 2a0s n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a0s n GLY 42 N 5.37 0.84 2.93 0.72 0.00 -1.26 -5.02 105.19 108.77 2a0s n GLY 42 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2a0s n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2a0s s PHE 43 N -3.31 -0.11 -0.10 1.61 5.36 -0.77 -5.14 117.98 115.52 2a0s s PHE 43 Ca 0.00 0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.24 2a0s s PHE 43 Cb 0.00 -0.04 0.04 0.00 -0.34 0.00 0.00 43.02 42.67 2a0s s PHE 43 CO 0.00 -0.10 0.24 0.50 -1.46 0.00 0.00 175.22 174.40 2a0s s ARG 44 N 0.61 0.22 0.32 10.12 3.52 -1.26 -1.59 118.95 130.89 2a0s s ARG 44 Ca -0.05 0.46 0.08 0.00 -0.13 0.00 0.00 55.73 56.09 2a0s s ARG 44 Cb -0.06 -0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 2a0s s ARG 44 CO -0.03 -0.12 0.25 -1.83 -0.81 0.00 0.00 175.30 172.76 2a0s s GLU 45 N 0.90 2.68 0.61 5.12 -1.05 -0.97 -5.05 118.70 120.94 2a0s s GLU 45 Ca -0.06 -1.31 -0.15 0.00 -0.15 0.00 0.00 54.97 53.30 2a0s s GLU 45 Cb -0.08 -2.43 -0.03 0.00 -0.44 0.00 0.00 34.13 31.16 2a0s s GLU 45 CO -0.06 0.14 1.06 0.95 0.95 0.00 0.00 175.26 178.30 2a0s s THR 46 N -2.31 3.85 0.19 1.83 -4.23 -1.26 -4.69 115.64 109.02 2a0s s THR 46 Ca 0.39 0.82 -0.32 0.00 -1.18 0.00 0.00 61.69 61.41 2a0s s THR 46 Cb -0.05 -3.38 -0.11 0.00 1.34 0.00 0.00 72.50 70.29 2a0s s THR 46 CO 0.25 -0.57 1.71 -0.22 -0.54 0.00 0.00 174.62 175.25 2a0s s LEU 47 N -4.69 4.37 0.00 4.79 2.96 -1.26 -4.74 118.68 120.12 2a0s s LEU 47 Ca 0.63 2.82 0.00 0.00 -0.22 0.00 0.00 54.13 57.35 2a0s s LEU 47 Cb -0.16 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.94 2a0s s LEU 47 CO 0.40 -0.95 0.00 0.00 -1.32 0.00 0.00 176.35 174.48 2a0s n HIS 48 N 4.13 -0.11 -3.93 5.38 1.44 -0.91 -5.02 115.22 116.20 2a0s n HIS 48 Ca 0.16 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2a0s n HIS 48 Cb 0.36 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.44 2a0s n HIS 48 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2a0s s GLY 49 N -0.20 0.37 0.03 -1.39 0.00 -1.26 -1.04 107.32 103.84 2a0s s GLY 49 Ca 0.00 -0.72 -0.11 0.00 0.00 0.00 0.00 44.72 43.89 2a0s s GLY 49 CO 0.00 -0.42 0.24 0.30 0.00 0.00 0.00 173.10 173.22 2a0s s HIS 50 N -3.66 -0.03 -0.82 1.90 3.76 -0.31 -4.98 115.29 111.15 2a0s s HIS 50 Ca 0.18 -0.11 -0.20 0.00 -0.15 0.00 0.00 55.06 54.78 2a0s s HIS 50 Cb -0.03 0.03 0.11 0.00 1.11 0.00 0.00 32.58 33.80 2a0s s HIS 50 CO 0.10 -0.44 1.03 -0.80 -0.85 0.00 0.00 174.74 173.78 2a0s s ASN 51 N -1.92 6.47 0.41 1.40 0.01 -1.26 -1.73 114.94 118.31 2a0s s ASN 51 Ca -0.07 -1.72 -0.23 0.00 -0.71 0.00 0.00 52.86 50.13 2a0s s ASN 51 Cb -0.02 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 2a0s s ASN 51 CO -0.02 -1.16 1.03 -0.31 -1.51 0.00 0.00 177.10 175.13 2a0s s TYR 52 N 2.99 3.26 -0.01 2.20 1.51 -0.82 -4.62 117.35 121.84 2a0s s TYR 52 Ca 0.27 1.64 0.01 0.00 -1.01 0.00 0.00 57.07 57.99 2a0s s TYR 52 Cb -0.10 -3.08 0.00 0.00 -0.11 0.00 0.00 41.96 38.67 2a0s s TYR 52 CO -0.03 -0.56 -0.04 1.21 -1.11 0.00 0.00 175.55 175.02 2a0s s ASN 53 N -1.69 0.59 -0.12 2.29 2.47 -0.86 -1.97 114.94 115.66 2a0s s ASN 53 Ca 0.59 -0.09 0.02 0.00 0.42 0.00 0.00 52.86 53.81 2a0s s ASN 53 Cb -0.20 -0.12 -0.00 0.00 -1.45 0.00 0.00 41.25 39.48 2a0s s ASN 53 CO 0.25 0.03 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.77 2a0s s VAL 54 N 0.12 2.36 0.02 -5.21 1.01 -0.05 -0.83 120.40 117.83 2a0s s VAL 54 Ca -0.01 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.15 2a0s s VAL 54 Cb -0.05 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2a0s s VAL 54 CO -0.00 0.55 -0.25 -0.94 0.00 0.00 0.00 175.10 174.45 2a0s s SER 55 N 0.43 3.22 -0.10 3.32 1.04 -0.09 -4.53 113.70 116.99 2a0s s SER 55 Ca -0.15 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.77 2a0s s SER 55 Cb -0.17 -0.35 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 2a0s s SER 55 CO 0.06 0.28 -0.15 -0.22 0.98 0.00 0.00 173.24 174.19 2a0s s LEU 56 N -1.07 2.62 -0.06 2.42 2.96 -0.78 -0.77 118.68 124.01 2a0s s LEU 56 Ca 0.11 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 2a0s s LEU 56 Cb -0.10 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 2a0s s LEU 56 CO 0.01 0.22 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.47 2a0s s ARG 57 N 0.04 2.22 0.04 1.98 3.52 0.15 -1.37 118.95 125.53 2a0s s ARG 57 Ca -0.05 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.85 2a0s s ARG 57 Cb -0.15 -1.82 -0.03 0.00 -1.56 0.00 0.00 34.95 31.39 2a0s s ARG 57 CO 0.05 0.22 -0.05 -0.48 -0.81 0.00 0.00 175.30 174.23 2a0s s LEU 58 N 0.18 2.32 -0.03 -0.88 2.34 -0.39 -0.29 118.68 121.93 2a0s s LEU 58 Ca -0.09 -0.66 0.06 0.00 0.06 0.00 0.00 54.13 53.50 2a0s s LEU 58 Cb -0.14 0.03 -0.01 0.00 -0.56 0.00 0.00 46.19 45.50 2a0s s LEU 58 CO 0.04 -0.35 -0.21 -0.13 -1.06 0.00 0.00 176.35 174.65 2a0s s ARG 59 N -2.20 1.94 0.05 1.48 0.52 -0.90 -0.42 118.95 119.42 2a0s s ARG 59 Ca -0.07 -0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 54.22 2a0s s ARG 59 Cb -0.05 -1.76 0.05 0.00 0.52 0.00 0.00 34.95 33.71 2a0s s ARG 59 CO -0.03 0.39 0.75 0.41 0.02 0.00 0.00 175.30 176.84 2a0s n GLY 60 N 2.79 0.59 3.85 -3.53 0.00 -1.00 -1.76 105.19 106.14 2a0s n GLY 60 Ca -0.17 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 2a0s n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a0s s ASN 61 N -2.72 6.76 -0.08 1.61 0.01 -1.25 -0.78 114.94 118.49 2a0s s ASN 61 Ca 0.17 0.98 -0.30 0.00 -0.71 0.00 0.00 52.86 53.01 2a0s s ASN 61 Cb -0.01 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2a0s s ASN 61 CO 0.01 0.11 1.55 -0.63 -1.51 0.00 0.00 177.10 176.64 2a0s s ILE 62 N -1.47 3.76 0.88 0.60 1.01 -0.73 -4.39 121.20 120.87 2a0s s ILE 62 Ca 0.37 0.92 -0.14 0.00 0.00 0.00 0.00 60.65 61.81 2a0s s ILE 62 Cb -0.14 -3.60 0.14 0.00 0.01 0.00 0.00 42.46 38.87 2a0s s ILE 62 CO 0.19 -0.08 1.25 -1.10 0.00 0.00 0.00 174.94 175.20 2a0s s GLN 63 N 3.86 1.26 0.13 2.79 -1.52 0.36 -4.78 119.66 121.77 2a0s s GLN 63 Ca 0.68 -0.21 0.13 0.00 -1.95 0.00 0.00 55.36 54.02 2a0s s GLN 63 Cb -0.30 -1.91 0.62 0.00 -0.22 0.00 0.00 33.01 31.20 2a0s s GLN 63 CO 0.26 -2.02 1.41 0.41 -0.25 0.00 0.00 175.29 175.10 2a0s n GLY 64 N -3.53 -0.85 0.66 3.09 0.00 -1.26 -1.35 105.19 101.95 2a0s n GLY 64 Ca 0.12 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2a0s n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a0s n ASP 65 N -1.83 2.09 0.00 1.61 5.68 -1.26 -4.95 116.55 117.89 2a0s n ASP 65 Ca 0.01 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.62 2a0s n ASP 65 Cb 0.09 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2a0s n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a0s n GLY 66 N 1.26 1.74 3.85 6.12 0.00 -0.46 -5.05 105.19 112.65 2a0s n GLY 66 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2a0s n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a0s s TYR 67 N -2.35 3.37 -0.07 1.61 2.02 -1.26 -4.75 117.35 115.92 2a0s s TYR 67 Ca 0.00 0.19 -0.27 0.00 -0.37 0.00 0.00 57.07 56.62 2a0s s TYR 67 Cb 0.00 -1.71 -0.22 0.00 -0.40 0.00 0.00 41.96 39.63 2a0s s TYR 67 CO 0.00 0.56 1.06 0.28 -1.57 0.00 0.00 175.55 175.89 2a0s h VAL 68 N 2.41 1.52 -2.06 0.71 2.07 -1.91 0.10 116.25 119.10 2a0s h VAL 68 Ca -0.46 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.41 2a0s h VAL 68 Cb 1.16 2.61 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 2a0s h VAL 68 CO 0.70 0.41 0.11 -0.51 0.02 0.00 0.00 177.57 178.31 2a0s s ILE 69 N -3.46 0.00 0.16 4.57 2.07 -1.26 -4.72 121.20 118.56 2a0s s ILE 69 Ca -0.17 -0.01 -0.31 0.00 -1.41 0.00 0.00 60.65 58.75 2a0s s ILE 69 Cb -0.00 -0.97 -0.11 0.00 0.13 0.00 0.00 42.46 41.51 2a0s s ILE 69 CO 0.67 -0.00 1.76 -0.62 -1.91 0.00 0.00 174.94 174.84 2a0s s ASP 70 N 0.02 6.43 0.34 4.50 -1.08 -1.26 -4.90 116.67 120.71 2a0s s ASP 70 Ca -0.02 2.78 0.03 0.00 -0.52 0.00 0.00 52.55 54.81 2a0s s ASP 70 Cb -0.04 -2.58 0.64 0.00 -1.46 0.00 0.00 42.92 39.48 2a0s s ASP 70 CO 0.03 -0.98 1.97 -0.26 0.52 0.00 0.00 175.17 176.46 2a0s h PHE 71 N 7.78 0.85 -0.72 -5.34 0.05 -2.01 -2.67 116.94 114.89 2a0s h PHE 71 Ca -0.44 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.37 2a0s h PHE 71 Cb 1.21 -0.28 -0.04 0.00 2.00 0.00 0.00 35.95 38.84 2a0s h PHE 71 CO 0.72 0.49 0.46 0.66 -0.18 0.00 0.00 178.31 180.47 2a0s h SER 72 N 0.87 0.84 -0.24 2.17 4.64 -1.98 0.24 113.55 120.08 2a0s h SER 72 Ca 0.29 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.54 2a0s h SER 72 Cb 0.07 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2a0s h SER 72 CO -0.08 0.62 -0.02 0.40 -0.87 0.00 0.00 176.83 176.87 2a0s h ILE 73 N 0.98 1.27 -0.54 0.95 2.04 -1.87 -1.86 117.51 118.47 2a0s h ILE 73 Ca 0.26 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 2a0s h ILE 73 Cb -0.09 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2a0s h ILE 73 CO -0.05 0.30 0.32 -0.07 0.00 0.00 0.00 178.15 178.65 2a0s h LEU 74 N 0.20 0.65 -1.18 1.44 3.38 -1.24 -2.41 115.31 116.16 2a0s h LEU 74 Ca 0.07 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2a0s h LEU 74 Cb 0.45 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2a0s h LEU 74 CO 0.02 0.53 -0.02 0.11 0.09 0.00 0.00 178.44 179.16 2a0s h LYS 75 N 0.73 0.55 -0.23 1.13 1.57 -0.54 -2.66 116.57 117.11 2a0s h LYS 75 Ca 0.19 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2a0s h LYS 75 Cb -0.00 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2a0s h LYS 75 CO -0.04 0.59 -0.29 1.49 -0.57 0.00 0.00 179.45 180.64 2a0s h GLU 76 N 0.52 0.60 -0.02 3.15 4.81 -1.04 -2.91 114.58 119.70 2a0s h GLU 76 Ca 0.11 -0.34 -0.22 0.00 -0.13 0.00 0.00 59.36 58.78 2a0s h GLU 76 Cb 0.36 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2a0s h GLU 76 CO 0.01 0.94 -0.90 0.87 -0.73 0.00 0.00 179.01 179.21 2a0s h LYS 77 N 0.30 0.42 -0.55 1.92 1.79 -1.40 -2.59 116.57 116.46 2a0s h LYS 77 Ca 0.03 -0.43 -0.09 0.00 -2.18 0.00 0.00 60.65 57.98 2a0s h LYS 77 Cb 0.86 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 2a0s h LYS 77 CO 0.07 1.09 -0.04 0.28 -1.08 0.00 0.00 179.45 179.77 2a0s h VAL 78 N 0.25 1.26 -0.77 0.50 2.07 -1.57 -2.28 116.25 115.71 2a0s h VAL 78 Ca -0.07 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.31 2a0s h VAL 78 Cb 1.52 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2a0s h VAL 78 CO 0.16 0.41 0.51 -0.09 0.02 0.00 0.00 177.57 178.57 2a0s h ARG 79 N 0.88 0.99 -0.44 1.57 2.43 -1.46 -2.07 114.38 116.28 2a0s h ARG 79 Ca 0.15 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2a0s h ARG 79 Cb 0.57 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2a0s h ARG 79 CO 0.03 0.66 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.92 2a0s h LYS 80 N 1.02 0.78 -0.36 0.20 3.64 -1.18 -1.22 116.57 119.45 2a0s h LYS 80 Ca 0.29 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2a0s h LYS 80 Cb -0.09 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2a0s h LYS 80 CO -0.07 0.85 -0.02 0.28 -2.27 0.00 0.00 179.45 178.21 2a0s h VAL 81 N 0.62 1.26 -0.73 2.00 2.07 -1.34 -2.97 116.25 117.16 2a0s h VAL 81 Ca 0.12 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2a0s h VAL 81 Cb 0.51 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2a0s h VAL 81 CO 0.02 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.25 2a0s h LYS 83 N 1.06 0.99 -0.22 0.00 1.63 -1.12 0.56 116.57 119.47 2a0s h LYS 83 Ca 0.25 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2a0s h LYS 83 Cb 0.19 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 2a0s h LYS 83 CO -0.02 0.70 -0.06 1.96 -3.45 0.00 0.00 179.45 178.57 2a0s h GLN 84 N 1.01 0.33 0.14 1.90 4.20 -1.37 -3.06 115.11 118.26 2a0s h GLN 84 Ca 0.26 -0.07 -0.33 0.00 0.06 0.00 0.00 58.65 58.57 2a0s h GLN 84 Cb -0.03 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 2a0s h GLN 84 CO -0.05 0.42 -1.71 -0.07 -0.67 0.00 0.00 178.83 176.75 2a0s h LEU 85 N 0.32 0.47 -9.39 1.46 3.38 -1.44 -3.49 115.31 106.62 2a0s h LEU 85 Ca 0.07 -0.74 -0.62 0.00 0.09 0.00 0.00 57.88 56.68 2a0s h LEU 85 Cb 0.32 -0.15 0.10 0.00 0.09 0.00 0.00 40.66 41.02 2a0s h LEU 85 CO 0.01 1.63 0.07 -0.67 0.09 0.00 0.00 178.44 179.58 2a0s n ASP 86 N -3.49 0.97 -3.19 -0.43 2.03 0.14 -3.20 116.55 109.38 2a0s n ASP 86 Ca -0.22 1.17 -0.20 0.00 0.52 0.00 0.00 54.79 56.05 2a0s n ASP 86 Cb 1.06 -1.23 0.07 0.00 -0.72 0.00 0.00 41.12 40.30 2a0s n ASP 86 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2a0s n HIS 87 N 0.42 -2.42 -4.11 -0.67 8.25 -0.40 -4.92 115.22 111.38 2a0s n HIS 87 Ca 0.12 0.88 -0.08 0.00 -0.26 0.00 0.00 57.72 58.37 2a0s n HIS 87 Cb 0.30 -4.56 -0.10 0.00 1.12 0.00 0.00 29.99 26.75 2a0s n HIS 87 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2a0s s HIS 88 N -3.28 0.65 -0.08 4.41 3.76 -1.20 -4.96 115.29 114.59 2a0s s HIS 88 Ca 0.42 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.93 2a0s s HIS 88 Cb -0.19 -0.42 -0.02 0.00 1.11 0.00 0.00 32.58 33.07 2a0s s HIS 88 CO 0.64 -0.44 0.91 0.12 -0.85 0.00 0.00 174.74 175.11 2a0s s PHE 89 N -3.97 3.54 -0.48 1.40 5.36 0.52 -1.49 117.98 122.87 2a0s s PHE 89 Ca 0.14 1.49 -0.29 0.00 -0.96 0.00 0.00 56.93 57.31 2a0s s PHE 89 Cb 0.08 -3.06 0.03 0.00 -0.34 0.00 0.00 43.02 39.72 2a0s s PHE 89 CO -0.05 -0.11 1.14 0.42 -1.46 0.00 0.00 175.22 175.15 2a0s s ILE 90 N 1.55 4.21 -0.34 3.12 1.01 0.65 -1.37 121.20 130.03 2a0s s ILE 90 Ca 0.45 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 62.23 2a0s s ILE 90 Cb -0.19 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.69 2a0s s ILE 90 CO 0.19 -1.00 0.17 -0.22 0.00 0.00 0.00 174.94 174.08 2a0s s LEU 91 N 4.44 4.34 -0.27 2.97 2.96 -0.79 -4.74 118.68 127.60 2a0s s LEU 91 Ca 0.48 -0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 2a0s s LEU 91 Cb -0.07 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.62 2a0s s LEU 91 CO 0.31 -0.27 1.25 -2.84 -1.32 0.00 0.00 176.35 173.48 2a0s s PRO 92 N 1.57 4.03 0.19 0.98 0.02 -1.26 -1.77 135.00 138.76 2a0s s PRO 92 Ca 0.03 1.33 -0.07 0.00 0.02 0.00 0.00 61.00 62.31 2a0s s PRO 92 Cb -0.18 -3.82 0.11 0.00 0.02 0.00 0.00 34.50 30.63 2a0s s PRO 92 CO 0.06 -0.97 1.60 0.52 -0.33 0.00 0.00 177.00 177.88 2a0s h MET 93 N 8.79 0.89 -0.70 5.54 2.86 -0.95 -3.29 114.93 128.07 2a0s h MET 93 Ca -0.25 -0.36 -0.19 0.00 -2.06 0.00 0.00 59.70 56.84 2a0s h MET 93 Cb 1.09 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.60 2a0s h MET 93 CO 1.02 1.01 0.23 0.66 1.06 0.00 0.00 176.91 180.88 2a0s n TYR 94 N -4.12 2.34 -2.05 -0.22 0.53 -0.21 -4.97 117.16 108.46 2a0s n TYR 94 Ca 0.00 -1.16 -0.42 0.00 -1.02 0.00 0.00 57.90 55.31 2a0s n TYR 94 Cb 0.43 -0.66 -0.03 0.00 -1.03 0.00 0.00 39.34 38.06 2a0s n TYR 94 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2a0s s SER 95 N -1.09 6.71 0.00 7.72 0.15 -1.24 -4.53 113.70 121.41 2a0s s SER 95 Ca 0.55 2.54 0.27 0.00 0.70 0.00 0.00 55.95 60.01 2a0s s SER 95 Cb 0.44 -2.61 0.90 0.00 -1.71 0.00 0.00 66.02 63.04 2a0s s SER 95 CO 0.13 -0.70 1.66 -0.90 1.20 0.00 0.00 173.24 174.63 2a0s n ASP 96 N 3.14 1.00 0.00 5.45 5.75 -1.26 -4.03 116.55 126.61 2a0s n ASP 96 Ca 0.09 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 2a0s n ASP 96 Cb 0.41 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 2a0s n ASP 96 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2a0s n VAL 97 N -0.56 0.04 -4.81 2.12 0.24 -1.26 -5.00 118.33 109.10 2a0s n VAL 97 Ca 0.14 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.61 2a0s n VAL 97 Cb 0.33 1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 33.58 2a0s n VAL 97 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a0s s LEU 98 N -0.04 2.69 -0.50 1.34 1.43 -1.26 -3.62 118.68 118.73 2a0s s LEU 98 Ca 0.00 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 2a0s s LEU 98 Cb 0.00 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.68 2a0s s LEU 98 CO 0.00 0.18 0.62 0.21 0.23 0.00 0.00 176.35 177.59 2a0s s ASN 99 N 0.25 6.23 -0.42 2.29 3.84 0.40 -4.88 114.94 122.65 2a0s s ASN 99 Ca -0.09 -0.87 -0.14 0.00 0.21 0.00 0.00 52.86 51.96 2a0s s ASN 99 Cb -0.16 -2.29 0.03 0.00 -0.55 0.00 0.00 41.25 38.29 2a0s s ASN 99 CO 0.05 -0.87 0.31 -0.63 -2.79 0.00 0.00 177.10 173.18 2a0s s ILE 100 N 2.61 5.14 -0.05 -5.21 1.01 -1.26 -0.68 121.20 122.77 2a0s s ILE 100 Ca 0.15 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2a0s s ILE 100 Cb -0.19 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2a0s s ILE 100 CO 0.12 -0.37 0.00 -1.58 0.00 0.00 0.00 174.94 173.12 2a0s s GLN 101 N 1.65 2.90 -0.43 2.79 0.74 0.14 -4.95 119.66 122.50 2a0s s GLN 101 Ca 0.04 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 54.77 2a0s s GLN 101 Cb -0.20 -2.74 0.02 0.00 1.10 0.00 0.00 33.01 31.19 2a0s s GLN 101 CO 0.09 0.67 0.54 -1.21 -0.55 0.00 0.00 175.29 174.82 2a0s s GLU 102 N -1.19 3.20 -0.27 1.67 2.02 -1.26 0.19 118.70 123.06 2a0s s GLU 102 Ca 0.16 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.62 2a0s s GLU 102 Cb -0.11 -3.96 0.06 0.00 0.10 0.00 0.00 34.13 30.22 2a0s s GLU 102 CO 0.06 -0.93 -0.09 0.08 0.02 0.00 0.00 175.26 174.41 2a0s s VAL 103 N 2.48 2.35 0.00 2.63 1.01 -0.45 -4.98 120.40 123.44 2a0s s VAL 103 Ca 0.17 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2a0s s VAL 103 Cb -0.16 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2a0s s VAL 103 CO 0.16 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.82 2a0s n ASN 104 N 4.48 0.00 -1.48 3.32 3.02 -1.26 -0.40 115.26 122.94 2a0s n ASN 104 Ca -0.14 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.42 2a0s n ASN 104 Cb 0.42 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.88 2a0s n ASN 104 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2a0s n ASP 105 N 7.53 4.29 -4.41 6.41 8.00 -1.26 -4.98 116.55 132.12 2a0s n ASP 105 Ca 0.00 -3.20 -0.25 0.00 0.71 0.00 0.00 54.79 52.05 2a0s n ASP 105 Cb 0.00 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.33 2a0s n ASP 105 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2a0s s ASN 106 N -1.54 3.29 -0.23 -2.24 -0.87 0.46 -0.75 114.94 113.06 2a0s s ASN 106 Ca 0.49 -0.90 -0.12 0.00 -1.57 0.00 0.00 52.86 50.77 2a0s s ASN 106 Cb 0.40 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.25 41.34 2a0s s ASN 106 CO 0.10 0.07 0.22 -0.36 -2.57 0.00 0.00 177.10 174.56 2a0s s PHE 107 N -1.91 3.32 -0.24 2.20 2.99 0.94 -1.34 117.98 123.95 2a0s s PHE 107 Ca 0.21 0.31 -0.08 0.00 0.00 0.00 0.00 56.93 57.37 2a0s s PHE 107 Cb -0.07 -2.33 -0.04 0.00 0.00 0.00 0.00 43.02 40.58 2a0s s PHE 107 CO 0.10 0.04 0.09 0.21 -0.00 0.00 0.00 175.22 175.66 2a0s s LYS 108 N 1.15 3.80 -0.23 0.44 2.20 0.13 -1.57 119.74 125.66 2a0s s LYS 108 Ca 0.10 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2a0s s LYS 108 Cb -0.14 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 2a0s s LYS 108 CO 0.05 -0.07 -0.06 0.42 -0.36 0.00 0.00 175.35 175.34 2a0s s ILE 109 N 1.32 3.16 -0.17 5.43 1.01 0.39 0.25 121.20 132.59 2a0s s ILE 109 Ca 0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2a0s s ILE 109 Cb -0.15 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2a0s s ILE 109 CO 0.04 0.37 -0.04 -0.89 0.00 0.00 0.00 174.94 174.42 2a0s s THR 110 N 1.43 3.71 0.65 2.92 2.01 0.15 -0.45 115.64 126.05 2a0s s THR 110 Ca 0.04 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2a0s s THR 110 Cb -0.15 -2.64 0.09 0.00 0.01 0.00 0.00 72.50 69.82 2a0s s THR 110 CO -0.04 0.47 0.90 0.00 -0.69 0.00 0.00 174.62 175.25 2a0s h GLU 112 N -0.25 0.00 -0.41 0.00 4.39 -1.89 -2.02 114.58 114.40 2a0s h GLU 112 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 2a0s h GLU 112 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2a0s h GLU 112 CO 0.44 0.34 0.00 -0.40 -1.16 0.00 0.00 179.01 178.23 2a0s n ASP 113 N -3.88 1.77 0.00 1.42 5.75 -1.26 -4.91 116.55 115.45 2a0s n ASP 113 Ca -0.01 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 2a0s n ASP 113 Cb 0.41 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2a0s n ASP 113 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2a0s n ASN 114 N 0.29 -3.83 -4.77 -1.12 3.02 -0.76 -5.01 115.26 103.08 2a0s n ASN 114 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.25 2a0s n ASN 114 Cb 0.32 -1.76 -0.02 0.00 -0.61 0.00 0.00 39.78 37.71 2a0s n ASN 114 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2a0s s SER 115 N -2.07 6.66 -0.07 6.41 1.04 -1.26 -4.77 113.70 119.64 2a0s s SER 115 Ca 0.00 2.45 0.05 0.00 0.48 0.00 0.00 55.95 58.94 2a0s s SER 115 Cb 0.00 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 2a0s s SER 115 CO 0.00 -0.59 -0.24 -0.70 0.98 0.00 0.00 173.24 172.69 2a0s s GLU 116 N -2.05 2.69 0.12 4.02 2.12 -1.26 -1.45 118.70 122.88 2a0s s GLU 116 Ca 0.53 -0.89 0.10 0.00 0.36 0.00 0.00 54.97 55.07 2a0s s GLU 116 Cb -0.34 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.80 2a0s s GLU 116 CO 0.44 0.34 -0.24 0.71 -0.54 0.00 0.00 175.26 175.96 2a0s s TYR 117 N -0.05 2.09 -0.11 5.30 1.51 0.40 -4.99 117.35 121.50 2a0s s TYR 117 Ca -0.07 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 2a0s s TYR 117 Cb -0.15 -1.13 0.06 0.00 -0.11 0.00 0.00 41.96 40.63 2a0s s TYR 117 CO 0.05 0.29 0.19 0.45 -1.11 0.00 0.00 175.55 175.42 2a0s s SER 118 N -2.03 0.73 0.09 2.29 0.15 -1.26 -0.46 113.70 113.20 2a0s s SER 118 Ca 0.11 0.33 0.08 0.00 0.70 0.00 0.00 55.95 57.17 2a0s s SER 118 Cb -0.10 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.57 2a0s s SER 118 CO 0.05 -0.25 -0.21 -0.36 1.20 0.00 0.00 173.24 173.67 2a0s s PHE 119 N 2.33 1.78 0.48 3.44 0.40 -0.61 -4.98 117.98 120.82 2a0s s PHE 119 Ca 0.03 -0.41 -0.24 0.00 -0.60 0.00 0.00 56.93 55.71 2a0s s PHE 119 Cb -0.12 -1.00 -0.08 0.00 0.51 0.00 0.00 43.02 42.33 2a0s s PHE 119 CO -0.07 0.17 1.34 -2.30 0.70 0.00 0.00 175.22 175.06 2a0s n PRO 120 N 1.30 1.93 -0.24 0.24 -0.02 -1.26 -0.04 135.00 136.91 2a0s n PRO 120 Ca -0.19 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.03 2a0s n PRO 120 Cb 0.53 -2.52 0.28 0.00 -0.02 0.00 0.00 33.50 31.78 2a0s n PRO 120 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2a0s h LYS 121 N 1.90 0.90 0.00 -0.52 1.57 -1.24 -1.95 116.57 117.24 2a0s h LYS 121 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2a0s h LYS 121 Cb 1.29 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2a0s h LYS 121 CO 0.59 0.60 0.00 0.07 -0.57 0.00 0.00 179.45 180.14 2a0s h ARG 122 N 0.93 0.00 0.00 3.15 0.11 -1.91 -1.87 114.38 114.79 2a0s h ARG 122 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2a0s h ARG 122 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2a0s h ARG 122 CO -0.11 0.00 -0.04 -0.44 0.10 0.00 0.00 179.97 179.48 2a0s h ASP 123 N 0.00 0.00 -3.11 0.08 5.19 -1.72 -3.46 116.42 113.40 2a0s h ASP 123 Ca 0.00 -0.01 -0.65 0.00 -0.62 0.00 0.00 57.03 55.75 2a0s h ASP 123 Cb 0.47 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.89 2a0s h ASP 123 CO 0.00 0.01 -0.58 0.00 -3.12 0.00 0.00 179.24 175.55 2a0s s VAL 125 N -1.24 2.99 -0.43 0.00 0.11 -0.47 -4.88 120.40 116.48 2a0s s VAL 125 Ca 0.24 -0.95 -0.28 0.00 -2.93 0.00 0.00 61.98 58.06 2a0s s VAL 125 Cb -0.12 -2.50 0.03 0.00 -1.53 0.00 0.00 36.38 32.25 2a0s s VAL 125 CO 0.16 0.22 1.09 -1.10 -3.33 0.00 0.00 175.10 172.13 2a0s s GLN 126 N 1.35 3.80 -0.13 1.54 -0.21 -1.26 -1.88 119.66 122.88 2a0s s GLN 126 Ca 0.01 0.66 -0.00 0.00 0.02 0.00 0.00 55.36 56.05 2a0s s GLN 126 Cb -0.16 -3.86 -0.02 0.00 1.00 0.00 0.00 33.01 29.97 2a0s s GLN 126 CO -0.04 -1.21 -0.13 0.42 -2.12 0.00 0.00 175.29 172.21 2a0s s ILE 127 N 4.11 3.10 -0.56 1.08 1.01 -0.73 -4.97 121.20 124.24 2a0s s ILE 127 Ca 0.46 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.32 2a0s s ILE 127 Cb -0.09 -2.31 -0.13 0.00 0.01 0.00 0.00 42.46 39.94 2a0s s ILE 127 CO 0.26 0.52 1.77 -0.81 0.00 0.00 0.00 174.94 176.68 2a0s n PRO 128 N 3.52 1.20 -4.19 2.79 -0.04 -1.26 -1.50 135.00 135.51 2a0s n PRO 128 Ca -0.18 -1.35 -0.12 0.00 -0.04 0.00 0.00 63.50 61.81 2a0s n PRO 128 Cb 0.53 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.35 2a0s n PRO 128 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2a0s s ILE 129 N 4.79 0.64 -0.08 0.52 -4.36 -1.26 -4.91 121.20 116.54 2a0s s ILE 129 Ca 0.43 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 2a0s s ILE 129 Cb 0.11 -1.87 -0.25 0.00 1.25 0.00 0.00 42.46 41.70 2a0s s ILE 129 CO 0.08 -0.70 0.52 0.29 0.24 0.00 0.00 174.94 175.37 2a0s n LYS 130 N -0.12 0.70 -4.13 0.37 5.02 -1.26 -1.04 118.16 117.70 2a0s n LYS 130 Ca -0.10 0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 56.33 2a0s n LYS 130 Cb 0.62 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 2a0s n LYS 130 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2a0s s HIS 131 N -2.58 0.49 -0.01 2.13 3.76 -1.26 -3.81 115.29 114.01 2a0s s HIS 131 Ca -0.14 -0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 54.58 2a0s s HIS 131 Cb 0.07 -0.31 -0.13 0.00 1.11 0.00 0.00 32.58 33.33 2a0s s HIS 131 CO 0.80 -0.02 2.80 -1.13 -0.85 0.00 0.00 174.74 176.34 2a0s n SER 132 N 2.68 5.32 -4.87 1.40 3.41 -1.26 -4.60 113.62 115.70 2a0s n SER 132 Ca -0.15 -2.46 -0.30 0.00 -0.26 0.00 0.00 58.87 55.70 2a0s n SER 132 Cb 0.58 -1.27 -0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2a0s n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2a0s s SER 133 N 1.96 6.33 0.31 4.04 1.04 -1.26 -4.86 113.70 121.26 2a0s s SER 133 Ca 0.34 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.06 2a0s s SER 133 Cb 0.16 -2.41 0.47 0.00 0.10 0.00 0.00 66.02 64.34 2a0s s SER 133 CO -0.00 -0.72 1.98 0.74 0.98 0.00 0.00 173.24 176.22 2a0s h THR 134 N 0.13 1.21 0.00 2.02 2.02 -1.95 -0.73 112.91 115.60 2a0s h THR 134 Ca -0.45 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2a0s h THR 134 Cb 1.19 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2a0s h THR 134 CO 0.62 0.20 -0.00 -0.33 0.37 0.00 0.00 175.52 176.38 2a0s h GLU 135 N 1.09 -0.00 -0.07 6.66 3.07 -1.93 -0.97 114.58 122.43 2a0s h GLU 135 Ca 0.29 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.94 2a0s h GLU 135 Cb -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 2a0s h GLU 135 CO -0.06 0.00 -0.82 0.93 -1.40 0.00 0.00 179.01 177.66 2a0s h GLU 136 N -0.01 0.52 -0.68 2.33 5.08 -1.76 -2.31 114.58 117.76 2a0s h GLU 136 Ca -0.00 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2a0s h GLU 136 Cb 0.01 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2a0s h GLU 136 CO 0.00 1.10 0.24 0.82 -1.00 0.00 0.00 179.01 180.17 2a0s h ILE 137 N 0.33 1.24 -0.24 3.13 2.04 -1.17 -2.16 117.51 120.68 2a0s h ILE 137 Ca -0.06 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.04 2a0s h ILE 137 Cb 1.43 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2a0s h ILE 137 CO 0.15 0.31 0.06 1.23 0.00 0.00 0.00 178.15 179.90 2a0s h GLY 138 N 1.06 0.27 1.00 5.37 0.00 -1.00 -1.42 103.07 108.36 2a0s h GLY 138 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.54 2a0s h GLY 138 CO -0.01 0.00 0.46 1.41 0.00 0.00 0.00 176.54 178.39 2a0s h LEU 139 N 0.15 0.79 -0.38 3.11 3.38 -1.25 -1.10 115.31 120.00 2a0s h LEU 139 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2a0s h LEU 139 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2a0s h LEU 139 CO -0.14 0.57 0.24 0.22 0.09 0.00 0.00 178.44 179.43 2a0s h TYR 140 N 0.93 0.50 -0.54 1.13 3.20 -1.20 -1.77 116.97 119.23 2a0s h TYR 140 Ca 0.25 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2a0s h TYR 140 Cb -0.10 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2a0s h TYR 140 CO -0.03 0.33 0.06 0.82 -1.64 0.00 0.00 178.16 177.70 2a0s h ILE 141 N 0.51 1.26 -0.45 1.81 2.04 -1.05 -1.03 117.51 120.60 2a0s h ILE 141 Ca 0.14 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2a0s h ILE 141 Cb -0.03 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2a0s h ILE 141 CO -0.03 0.36 0.20 0.25 0.00 0.00 0.00 178.15 178.94 2a0s h LEU 142 N 0.79 0.27 -0.79 1.44 5.85 -1.06 0.25 115.31 122.07 2a0s h LEU 142 Ca 0.16 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2a0s h LEU 142 Cb 0.45 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2a0s h LEU 142 CO 0.02 0.19 0.31 0.78 -0.34 0.00 0.00 178.44 179.40 2a0s h ASN 143 N 0.41 1.09 -0.24 1.25 2.35 -1.13 -2.60 115.58 116.70 2a0s h ASN 143 Ca 0.20 -0.18 -0.18 0.00 -0.55 0.00 0.00 56.30 55.60 2a0s h ASN 143 Cb 0.14 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2a0s h ASN 143 CO -0.17 0.97 -0.52 1.56 -1.65 0.00 0.00 177.43 177.62 2a0s h GLN 144 N 1.14 0.83 -0.55 0.81 1.08 -0.72 -3.09 115.11 114.62 2a0s h GLN 144 Ca 0.26 -0.51 -0.10 0.00 -1.45 0.00 0.00 58.65 56.85 2a0s h GLN 144 Cb 0.23 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2a0s h GLN 144 CO -0.02 1.14 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.86 2a0s h LEU 145 N 0.64 0.98 -0.78 1.46 3.38 -0.45 -0.49 115.31 120.05 2a0s h LEU 145 Ca 0.02 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2a0s h LEU 145 Cb 1.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2a0s h LEU 145 CO 0.11 1.08 0.20 0.40 0.09 0.00 0.00 178.44 180.32 2a0s h ILE 146 N 0.90 1.26 -0.04 1.22 2.04 -1.52 0.38 117.51 121.75 2a0s h ILE 146 Ca 0.15 -0.93 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 2a0s h ILE 146 Cb 0.61 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2a0s h ILE 146 CO 0.04 0.36 -0.63 -0.33 0.00 0.00 0.00 178.15 177.59 2a0s h GLU 147 N 1.07 0.16 -0.09 2.37 5.08 -1.44 -0.07 114.58 121.67 2a0s h GLU 147 Ca 0.23 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 2a0s h GLU 147 Cb 0.33 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2a0s h GLU 147 CO -0.00 0.74 -0.62 1.49 -1.00 0.00 0.00 179.01 179.61 2a0s h GLU 148 N 0.12 0.58 0.00 2.33 4.57 -0.72 -3.17 114.58 118.29 2a0s h GLU 148 Ca -0.01 -0.51 -0.12 0.00 -1.18 0.00 0.00 59.36 57.55 2a0s h GLU 148 Cb 1.13 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 2a0s h GLU 148 CO 0.09 1.13 -0.56 0.82 -1.18 0.00 0.00 179.01 179.31 2a0s h ILE 149 N 0.20 1.08 -0.69 2.32 2.04 -1.00 -3.50 117.51 117.97 2a0s h ILE 149 Ca -0.05 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.61 2a0s h ILE 149 Cb 1.28 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2a0s h ILE 149 CO 0.13 0.55 0.00 -0.67 0.00 0.00 0.00 178.15 178.16 2a0s n ASP 150 N -3.40 -1.33 0.11 1.72 2.03 -0.05 -4.69 116.55 110.93 2a0s n ASP 150 Ca 0.01 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.19 2a0s n ASP 150 Cb 0.69 -0.67 -0.06 0.00 -0.72 0.00 0.00 41.12 40.36 2a0s n ASP 150 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2a0s h LEU 151 N 0.00 -0.37 -2.02 -2.67 6.46 -1.82 -2.36 115.31 112.53 2a0s h LEU 151 Ca 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2a0s h LEU 151 Cb 0.00 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2a0s h LEU 151 CO 0.00 -0.21 -0.03 1.55 -0.62 0.00 0.00 178.44 179.13 2a0s h PRO 152 N -0.30 0.00 -0.14 5.25 0.13 -1.93 -1.90 132.00 133.11 2a0s h PRO 152 Ca 0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 2a0s h PRO 152 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 2a0s h PRO 152 CO -0.04 0.03 -0.59 0.35 -0.23 0.00 0.00 178.00 177.51 2a0s h PHE 153 N 0.00 0.60 -0.32 1.56 3.57 -1.74 -2.74 116.94 117.87 2a0s h PHE 153 Ca -0.00 -0.22 -0.12 0.00 3.53 0.00 0.00 57.97 61.15 2a0s h PHE 153 Cb 0.33 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2a0s h PHE 153 CO 0.00 0.95 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.66 2a0s h LEU 154 N 0.35 0.70 -1.00 0.59 3.38 -0.85 -3.08 115.31 115.40 2a0s h LEU 154 Ca -0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 2a0s h LEU 154 Cb 1.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2a0s h LEU 154 CO 0.11 0.95 -0.48 0.11 0.09 0.00 0.00 178.44 179.22 2a0s h LYS 155 N 0.58 0.00 0.00 1.13 1.57 -1.41 -0.68 116.57 117.76 2a0s h LYS 155 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2a0s h LYS 155 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 2a0s h LYS 155 CO 0.07 0.48 -0.27 1.79 -0.57 0.00 0.00 179.45 180.94 2a0s h THR 156 N 0.00 0.71 -0.35 -0.16 1.35 -1.41 -2.47 112.91 110.57 2a0s h THR 156 Ca -0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2a0s h THR 156 Cb 0.89 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2a0s h THR 156 CO 0.06 0.27 0.00 0.54 -0.25 0.00 0.00 175.52 176.14 2a0s n ARG 157 N -3.50 2.05 -1.49 4.72 5.12 -0.99 -4.94 116.66 117.62 2a0s n ARG 157 Ca -0.00 -1.60 -0.15 0.00 -1.93 0.00 0.00 57.85 54.16 2a0s n ARG 157 Cb 0.44 -1.40 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 2a0s n ARG 157 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2a0s n SER 158 N 0.80 -4.80 -4.69 0.55 3.41 -0.93 -4.44 113.62 103.52 2a0s n SER 158 Ca 0.17 0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 2a0s n SER 158 Cb 0.41 -3.65 -0.03 0.00 -0.26 0.00 0.00 64.21 60.68 2a0s n SER 158 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2a0s s VAL 159 N -2.57 4.04 0.00 -3.33 1.01 -0.30 -3.83 120.40 115.42 2a0s s VAL 159 Ca 0.00 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2a0s s VAL 159 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2a0s s VAL 159 CO 0.00 0.02 0.64 -0.46 0.00 0.00 0.00 175.10 175.30 2a0s n ASN 160 N 5.03 1.23 -3.69 3.32 6.94 -0.72 -4.39 115.26 122.97 2a0s n ASN 160 Ca 0.11 -1.35 -0.11 0.00 -0.02 0.00 0.00 54.58 53.21 2a0s n ASN 160 Cb 0.45 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.76 2a0s n ASN 160 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2a0s s TYR 161 N -0.35 -0.54 -0.04 -2.53 5.04 -1.22 -0.46 117.35 117.25 2a0s s TYR 161 Ca 0.00 1.16 0.05 0.00 -2.44 0.00 0.00 57.07 55.84 2a0s s TYR 161 Cb 0.00 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 2a0s s TYR 161 CO 0.00 -0.34 -0.19 -1.64 -1.34 0.00 0.00 175.55 172.03 2a0s s MET 162 N 1.75 1.83 -0.09 4.97 -1.94 -0.47 -2.12 119.30 123.24 2a0s s MET 162 Ca -0.06 -0.68 -0.04 0.00 -1.71 0.00 0.00 55.69 53.19 2a0s s MET 162 Cb -0.10 -1.64 0.05 0.00 2.01 0.00 0.00 34.83 35.15 2a0s s MET 162 CO -0.11 0.32 0.20 -2.00 -0.01 0.00 0.00 175.02 173.42 2a0s s GLU 163 N -0.16 0.12 -0.06 2.03 2.12 0.60 -0.46 118.70 122.89 2a0s s GLU 163 Ca 0.00 0.53 0.04 0.00 0.36 0.00 0.00 54.97 55.90 2a0s s GLU 163 Cb -0.10 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.10 2a0s s GLU 163 CO 0.01 -0.22 -0.16 0.14 -0.54 0.00 0.00 175.26 174.49 2a0s s VAL 164 N 1.70 2.88 -0.19 3.70 -7.23 -0.40 0.32 120.40 121.18 2a0s s VAL 164 Ca -0.04 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2a0s s VAL 164 Cb -0.11 -2.12 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2a0s s VAL 164 CO -0.07 0.58 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.31 2a0s s THR 165 N -0.49 2.98 -0.15 5.32 2.01 0.05 -1.66 115.64 123.69 2a0s s THR 165 Ca 0.06 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 2a0s s THR 165 Cb -0.12 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2a0s s THR 165 CO 0.01 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 2a0s s VAL 166 N 1.22 3.60 -0.16 3.82 1.01 0.03 -0.92 120.40 129.00 2a0s s VAL 166 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2a0s s VAL 166 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 2a0s s VAL 166 CO -0.04 0.50 -0.04 -0.94 0.00 0.00 0.00 175.10 174.58 2a0s s SER 167 N 0.38 4.72 0.10 3.32 1.04 -0.01 -0.71 113.70 122.54 2a0s s SER 167 Ca -0.06 -0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.12 2a0s s SER 167 Cb -0.15 -1.77 -0.19 0.00 0.10 0.00 0.00 66.02 64.01 2a0s s SER 167 CO 0.04 0.15 1.22 -0.08 0.98 0.00 0.00 173.24 175.55 2a0s h GLU 168 N 6.84 0.50 -3.96 4.02 4.81 -1.58 -2.29 114.58 122.91 2a0s h GLU 168 Ca -0.32 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.21 2a0s h GLU 168 Cb 1.19 0.18 -0.13 0.00 0.63 0.00 0.00 28.75 30.62 2a0s h GLU 168 CO 0.62 1.22 -0.37 -1.54 -0.73 0.00 0.00 179.01 178.21 2a0s s SER 169 N -7.21 0.09 0.20 1.04 1.04 -1.21 -4.29 113.70 103.35 2a0s s SER 169 Ca -0.07 -0.91 0.10 0.00 0.48 0.00 0.00 55.95 55.54 2a0s s SER 169 Cb 0.07 0.41 0.53 0.00 0.10 0.00 0.00 66.02 67.13 2a0s s SER 169 CO 0.89 -0.86 1.20 -2.65 0.98 0.00 0.00 173.24 172.80 2a0s n PRO 170 N -0.19 0.06 -0.08 4.02 -0.02 -1.26 -1.94 135.00 135.59 2a0s n PRO 170 Ca -0.07 0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 2a0s n PRO 170 Cb 0.63 -1.90 -0.15 0.00 -0.02 0.00 0.00 33.50 32.06 2a0s n PRO 170 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a0s n SER 171 N -1.83 0.37 -4.16 2.55 3.41 -1.26 -4.94 113.62 107.77 2a0s n SER 171 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 2a0s n SER 171 Cb 0.20 1.08 -0.15 0.00 -0.26 0.00 0.00 64.21 65.08 2a0s n SER 171 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2a0s s GLN 172 N -2.57 2.76 0.04 4.33 -0.21 -0.82 -5.10 119.66 118.11 2a0s s GLN 172 Ca -0.09 -1.01 0.06 0.00 0.02 0.00 0.00 55.36 54.34 2a0s s GLN 172 Cb 0.06 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 2a0s s GLN 172 CO 0.78 -0.39 -0.18 0.15 -2.12 0.00 0.00 175.29 173.53 2a0s s LYS 173 N 1.28 1.19 -0.04 2.91 1.02 -1.26 -1.51 119.74 123.33 2a0s s LYS 173 Ca -0.00 -0.87 0.04 0.00 0.02 0.00 0.00 55.97 55.15 2a0s s LYS 173 Cb -0.16 -1.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.88 2a0s s LYS 173 CO -0.06 0.32 -0.15 0.00 -0.92 0.00 0.00 175.35 174.54 2a0s s ALA 174 N -0.83 1.34 -0.09 5.17 0.00 0.11 -5.00 121.76 122.45 2a0s s ALA 174 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.42 2a0s s ALA 174 Cb -0.08 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2a0s s ALA 174 CO 0.02 0.25 -0.14 0.99 0.00 0.00 0.00 175.76 176.88 2a0s s THR 175 N 0.03 1.35 0.16 0.00 2.01 -1.26 -0.79 115.64 117.13 2a0s s THR 175 Ca -0.02 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.49 2a0s s THR 175 Cb -0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2a0s s THR 175 CO 0.01 0.41 -0.16 0.68 -0.69 0.00 0.00 174.62 174.87 2a0s s VAL 176 N 0.93 1.67 0.13 3.82 -7.23 -0.66 -5.01 120.40 114.05 2a0s s VAL 176 Ca -0.08 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2a0s s VAL 176 Cb -0.15 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2a0s s VAL 176 CO -0.00 -0.39 0.11 -1.38 -0.31 0.00 0.00 175.10 173.13 2a0s s HIS 177 N -2.24 0.71 -0.05 2.82 -3.43 -1.26 -1.27 115.29 110.56 2a0s s HIS 177 Ca 0.15 -1.09 -0.03 0.00 -0.80 0.00 0.00 55.06 53.29 2a0s s HIS 177 Cb -0.05 -0.36 0.03 0.00 -1.43 0.00 0.00 32.58 30.78 2a0s s HIS 177 CO 0.06 -0.56 0.12 0.50 -2.00 0.00 0.00 174.74 172.86 2a0s s ARG 178 N -4.02 0.08 -0.34 -0.38 3.52 0.39 -4.99 118.95 113.22 2a0s s ARG 178 Ca 0.21 0.31 -0.25 0.00 -0.13 0.00 0.00 55.73 55.86 2a0s s ARG 178 Cb 0.06 -0.14 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 2a0s s ARG 178 CO 0.00 -0.14 0.89 -0.80 -0.81 0.00 0.00 175.30 174.45 2a0s s ASN 179 N 0.95 6.70 0.00 -2.12 0.01 -1.26 -1.36 114.94 117.85 2a0s s ASN 179 Ca -0.07 0.65 0.02 0.00 -0.71 0.00 0.00 52.86 52.75 2a0s s ASN 179 Cb -0.10 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.13 2a0s s ASN 179 CO -0.04 -0.78 0.58 2.30 -1.51 0.00 0.00 177.10 177.65