#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2q s VAL 7 N 0.00 0.95 0.39 2.28 -7.23 -1.26 -5.08 120.40 110.45 2a2q s VAL 7 Ca 0.00 -0.62 -0.24 0.00 -1.81 0.00 0.00 61.98 59.30 2a2q s VAL 7 Cb 0.00 -0.82 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 2a2q s VAL 7 CO 0.00 0.19 1.06 0.00 -0.31 0.00 0.00 175.10 176.04 2a2q s ALA 8 N -0.43 3.11 0.81 1.32 0.00 -1.26 -4.79 121.76 120.52 2a2q s ALA 8 Ca 0.03 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2a2q s ALA 8 Cb -0.05 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.87 2a2q s ALA 8 CO -0.00 -0.22 1.15 0.00 0.00 0.00 0.00 175.76 176.69 2a2q s ALA 9 N -1.62 1.90 0.22 0.00 0.00 -1.26 -4.75 121.76 116.26 2a2q s ALA 9 Ca 0.57 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 2a2q s ALA 9 Cb -0.23 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2a2q s ALA 9 CO 0.29 -2.18 0.36 1.52 0.00 0.00 0.00 175.76 175.75 2a2q s TYR 10 N -2.49 0.55 -1.44 0.00 1.13 0.53 -4.63 117.35 111.00 2a2q s TYR 10 Ca 0.68 -0.88 -0.10 0.00 -1.41 0.00 0.00 57.07 55.37 2a2q s TYR 10 Cb -0.23 -0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2a2q s TYR 10 CO 0.53 -0.86 0.98 0.09 -2.51 0.00 0.00 175.55 173.78 2a2q n ASN 11 N -0.33 -4.38 -4.71 -0.18 3.02 -1.26 -1.12 115.26 106.30 2a2q n ASN 11 Ca -0.02 -0.72 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 2a2q n ASN 11 Cb 0.63 -4.25 -0.03 0.00 -0.61 0.00 0.00 39.78 35.52 2a2q n ASN 11 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2a2q s LEU 12 N -7.14 4.37 0.02 3.41 1.02 -1.26 -4.42 118.68 114.67 2a2q s LEU 12 Ca 0.49 2.55 0.02 0.00 0.02 0.00 0.00 54.13 57.22 2a2q s LEU 12 Cb -0.24 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.37 2a2q s LEU 12 CO 0.80 -0.81 -0.08 -0.89 0.02 0.00 0.00 176.35 175.39 2a2q s THR 13 N 1.45 0.61 -0.28 5.49 2.01 0.41 -4.62 115.64 120.71 2a2q s THR 13 Ca 0.70 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 2a2q s THR 13 Cb -0.42 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2a2q s THR 13 CO 0.31 -0.05 0.27 0.26 -0.69 0.00 0.00 174.62 174.73 2a2q s TRP 14 N -0.65 3.23 -0.33 4.92 0.52 -1.26 -0.67 118.94 124.70 2a2q s TRP 14 Ca -0.02 0.21 -0.04 0.00 0.02 0.00 0.00 56.10 56.28 2a2q s TRP 14 Cb -0.06 -2.48 0.05 0.00 -1.15 0.00 0.00 33.47 29.84 2a2q s TRP 14 CO 0.00 -0.21 0.06 0.15 0.02 0.00 0.00 176.95 176.97 2a2q s LYS 15 N 1.90 2.46 -0.02 4.98 -0.14 -0.08 -5.00 119.74 123.84 2a2q s LYS 15 Ca 0.10 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.43 2a2q s LYS 15 Cb -0.16 -3.33 0.03 0.00 -1.68 0.00 0.00 37.83 32.69 2a2q s LYS 15 CO 0.11 -0.68 0.02 0.45 -0.76 0.00 0.00 175.35 174.49 2a2q s SER 16 N 1.37 0.23 -0.04 2.83 0.15 -1.26 -0.95 113.70 116.04 2a2q s SER 16 Ca -0.03 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 2a2q s SER 16 Cb -0.20 -0.13 0.03 0.00 -1.71 0.00 0.00 66.02 64.02 2a2q s SER 16 CO 0.00 -0.12 0.06 -0.89 1.20 0.00 0.00 173.24 173.49 2a2q s THR 17 N 1.10 -0.10 -1.45 6.45 2.01 -0.55 -0.99 115.64 122.10 2a2q s THR 17 Ca -0.09 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2a2q s THR 17 Cb -0.13 -0.14 0.08 0.00 0.01 0.00 0.00 72.50 72.32 2a2q s THR 17 CO -0.03 0.14 0.71 0.59 -0.69 0.00 0.00 174.62 175.35 2a2q n ASN 18 N 4.82 -4.31 0.00 3.53 4.13 -0.52 -1.00 115.26 121.90 2a2q n ASN 18 Ca -0.14 -0.59 0.00 0.00 1.68 0.00 0.00 54.58 55.53 2a2q n ASN 18 Cb 0.50 -3.50 0.00 0.00 -1.54 0.00 0.00 39.78 35.24 2a2q n ASN 18 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2a2q n PHE 19 N -4.32 0.00 -2.24 3.10 3.72 -1.26 -1.69 117.46 114.78 2a2q n PHE 19 Ca 0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.98 2a2q n PHE 19 Cb 0.54 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 2a2q n PHE 19 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2a2q s LYS 20 N -0.09 3.75 -0.19 -1.08 2.47 -0.17 -4.72 119.74 119.72 2a2q s LYS 20 Ca 0.00 1.39 0.01 0.00 -1.56 0.00 0.00 55.97 55.81 2a2q s LYS 20 Cb 0.00 -4.00 0.04 0.00 -1.46 0.00 0.00 37.83 32.41 2a2q s LYS 20 CO 0.00 -1.34 -0.11 0.99 0.16 0.00 0.00 175.35 175.05 2a2q s THR 21 N 5.14 1.65 -0.09 3.43 2.01 -1.26 -1.49 115.64 125.03 2a2q s THR 21 Ca 0.66 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.76 2a2q s THR 21 Cb -0.20 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 2a2q s THR 21 CO 0.28 0.24 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.58 2a2q s ILE 22 N 1.40 2.05 -0.08 1.82 -1.09 -0.13 -0.58 121.20 124.61 2a2q s ILE 22 Ca 0.00 -1.03 -0.17 0.00 -2.23 0.00 0.00 60.65 57.22 2a2q s ILE 22 Cb -0.15 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 2a2q s ILE 22 CO -0.09 0.56 0.46 -0.22 -1.23 0.00 0.00 174.94 174.42 2a2q s LEU 23 N 0.23 4.34 0.16 2.97 2.96 -0.27 -0.90 118.68 128.18 2a2q s LEU 23 Ca -0.16 0.86 0.10 0.00 -0.22 0.00 0.00 54.13 54.71 2a2q s LEU 23 Cb -0.17 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2a2q s LEU 23 CO 0.08 0.10 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.39 2a2q s GLU 24 N 0.11 1.34 0.39 1.98 2.02 0.15 -0.47 118.70 124.22 2a2q s GLU 24 Ca 0.25 -1.41 -0.13 0.00 0.02 0.00 0.00 54.97 53.70 2a2q s GLU 24 Cb -0.16 -1.55 0.05 0.00 0.10 0.00 0.00 34.13 32.58 2a2q s GLU 24 CO 0.11 0.33 0.75 1.67 0.02 0.00 0.00 175.26 178.15 2a2q s TRP 25 N -1.74 0.28 0.18 1.61 -2.14 -0.54 -0.44 118.94 116.16 2a2q s TRP 25 Ca 0.16 -0.91 0.07 0.00 2.66 0.00 0.00 56.10 58.08 2a2q s TRP 25 Cb -0.07 0.72 -0.04 0.00 -3.10 0.00 0.00 33.47 30.97 2a2q s TRP 25 CO 0.07 -1.54 -0.15 -1.21 -2.66 0.00 0.00 176.95 171.46 2a2q s GLU 26 N -2.27 1.26 0.40 3.25 0.41 -0.28 -4.79 118.70 116.69 2a2q s GLU 26 Ca 0.18 -1.51 0.04 0.00 -0.41 0.00 0.00 54.97 53.27 2a2q s GLU 26 Cb -0.04 -1.08 0.04 0.00 -1.78 0.00 0.00 34.13 31.26 2a2q s GLU 26 CO 0.13 0.19 0.30 -0.35 -0.49 0.00 0.00 175.26 175.04 2a2q n PRO 27 N -0.16 0.89 -1.82 0.39 -0.04 -1.26 -0.35 135.00 132.66 2a2q n PRO 27 Ca -0.10 -2.52 -0.41 0.00 -0.04 0.00 0.00 63.50 60.43 2a2q n PRO 27 Cb 0.59 0.27 0.00 0.00 -0.04 0.00 0.00 33.50 34.33 2a2q n PRO 27 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2a2q s LYS 28 N -3.65 4.02 0.30 0.54 -0.14 -1.26 -4.92 119.74 114.63 2a2q s LYS 28 Ca 0.23 2.51 -0.28 0.00 -1.36 0.00 0.00 55.97 57.08 2a2q s LYS 28 Cb -0.02 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 33.14 2a2q s LYS 28 CO 0.14 -0.58 1.01 -1.25 -0.76 0.00 0.00 175.35 173.92 2a2q s PRO 29 N -2.16 4.58 -0.27 -1.68 0.04 -1.26 -5.03 135.00 129.22 2a2q s PRO 29 Ca 0.54 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2a2q s PRO 29 Cb -0.45 -2.99 0.08 0.00 0.04 0.00 0.00 34.50 31.18 2a2q s PRO 29 CO 0.61 0.23 0.06 0.08 0.04 0.00 0.00 177.00 178.02 2a2q s VAL 30 N -1.37 0.96 -1.54 -0.36 1.01 -1.26 -4.80 120.40 113.04 2a2q s VAL 30 Ca 0.48 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2a2q s VAL 30 Cb -0.25 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2a2q s VAL 30 CO 0.32 -0.48 0.39 0.59 0.00 0.00 0.00 175.10 175.92 2a2q n ASN 31 N 4.84 -5.81 -3.60 3.32 5.03 -1.26 -4.98 115.26 112.80 2a2q n ASN 31 Ca -0.05 -0.19 -0.14 0.00 0.87 0.00 0.00 54.58 55.07 2a2q n ASN 31 Cb 0.44 -4.70 -0.06 0.00 -1.02 0.00 0.00 39.78 34.44 2a2q n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2a2q s GLN 32 N -5.42 0.99 0.31 3.52 -2.07 -1.26 -1.15 119.66 114.57 2a2q s GLN 32 Ca 0.19 -0.21 0.05 0.00 -1.82 0.00 0.00 55.36 53.57 2a2q s GLN 32 Cb -0.09 0.45 -0.06 0.00 -1.09 0.00 0.00 33.01 32.22 2a2q s GLN 32 CO 0.24 -0.34 -0.00 0.14 -1.32 0.00 0.00 175.29 174.01 2a2q s VAL 33 N -2.25 1.46 0.23 3.63 -7.23 0.27 -4.75 120.40 111.75 2a2q s VAL 33 Ca -0.06 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.14 2a2q s VAL 33 Cb -0.01 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2a2q s VAL 33 CO -0.00 -0.15 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.17 2a2q s TYR 34 N -3.12 1.89 -0.06 2.82 2.02 -0.33 -0.66 117.35 119.91 2a2q s TYR 34 Ca 0.33 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 2a2q s TYR 34 Cb 0.06 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 2a2q s TYR 34 CO 0.14 0.46 0.17 0.99 -1.57 0.00 0.00 175.55 175.74 2a2q s THR 35 N -2.84 -0.00 0.03 -0.71 2.01 -0.93 -0.54 115.64 112.66 2a2q s THR 35 Ca 0.25 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2a2q s THR 35 Cb -0.02 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 2a2q s THR 35 CO 0.09 0.00 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.32 2a2q s VAL 36 N 0.16 3.96 0.03 3.82 1.01 -0.48 0.03 120.40 128.93 2a2q s VAL 36 Ca -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2a2q s VAL 36 Cb -0.02 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2a2q s VAL 36 CO -0.00 0.30 -0.18 -1.10 0.00 0.00 0.00 175.10 174.12 2a2q s GLN 37 N -1.75 1.27 0.02 2.72 -0.21 -0.44 -0.04 119.66 121.23 2a2q s GLN 37 Ca 0.21 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.76 2a2q s GLN 37 Cb -0.11 -1.34 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 2a2q s GLN 37 CO 0.12 0.34 -0.05 -1.50 -2.12 0.00 0.00 175.29 172.08 2a2q s ILE 38 N -0.75 0.37 0.31 1.08 2.07 0.61 -1.53 121.20 123.36 2a2q s ILE 38 Ca 0.06 -0.64 -0.19 0.00 -1.41 0.00 0.00 60.65 58.47 2a2q s ILE 38 Cb -0.08 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.14 2a2q s ILE 38 CO 0.01 -0.19 0.73 -0.94 -1.91 0.00 0.00 174.94 172.65 2a2q s SER 39 N -0.89 -0.16 0.32 4.50 1.04 -0.64 -0.52 113.70 117.36 2a2q s SER 39 Ca -0.06 -0.80 0.07 0.00 0.48 0.00 0.00 55.95 55.65 2a2q s SER 39 Cb -0.06 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 2a2q s SER 39 CO -0.00 -1.45 0.29 0.42 0.98 0.00 0.00 173.24 173.48 2a2q s THR 40 N -3.41 3.69 0.34 2.02 -4.23 -1.26 -1.23 115.64 111.56 2a2q s THR 40 Ca 0.13 -1.35 0.14 0.00 -1.18 0.00 0.00 61.69 59.43 2a2q s THR 40 Cb -0.06 -3.23 0.33 0.00 1.34 0.00 0.00 72.50 70.89 2a2q s THR 40 CO 0.09 -0.20 1.66 0.50 -0.54 0.00 0.00 174.62 176.12 2a2q h LYS 41 N 1.26 0.29 -0.08 3.99 3.64 -1.97 -1.87 116.57 121.84 2a2q h LYS 41 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2a2q h LYS 41 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2a2q h LYS 41 CO 0.58 0.19 0.00 -1.13 -2.27 0.00 0.00 179.45 176.82 2a2q n SER 42 N -5.08 2.08 -4.97 4.20 3.41 -1.26 -5.02 113.62 106.99 2a2q n SER 42 Ca 0.32 -1.55 -0.22 0.00 -0.26 0.00 0.00 58.87 57.16 2a2q n SER 42 Cb 0.99 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.93 2a2q n SER 42 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2a2q s GLY 43 N -0.91 1.78 0.66 5.00 0.00 -0.70 -5.08 107.32 108.07 2a2q s GLY 43 Ca 0.14 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.48 2a2q s GLY 43 CO 0.14 -0.98 1.05 0.99 0.00 0.00 0.00 173.10 174.30 2a2q s ASP 44 N -4.40 5.58 -0.05 1.64 1.01 -1.26 -4.51 116.67 114.68 2a2q s ASP 44 Ca 0.56 1.63 -0.27 0.00 0.71 0.00 0.00 52.55 55.19 2a2q s ASP 44 Cb -0.10 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2a2q s ASP 44 CO 0.39 -1.31 0.85 0.26 0.21 0.00 0.00 175.17 175.57 2a2q s TRP 45 N -2.93 3.59 -0.11 4.23 0.52 -1.26 -4.53 118.94 118.45 2a2q s TRP 45 Ca 0.59 1.47 -0.03 0.00 0.02 0.00 0.00 56.10 58.15 2a2q s TRP 45 Cb -0.14 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.16 2a2q s TRP 45 CO 0.51 -0.01 -0.00 0.15 0.02 0.00 0.00 176.95 177.62 2a2q s LYS 46 N 1.10 3.23 0.05 4.98 -0.14 0.32 -4.90 119.74 124.39 2a2q s LYS 46 Ca 0.45 -0.43 -0.11 0.00 -1.36 0.00 0.00 55.97 54.52 2a2q s LYS 46 Cb -0.19 -2.86 -0.06 0.00 -1.68 0.00 0.00 37.83 33.04 2a2q s LYS 46 CO 0.22 0.56 0.40 -1.12 -0.76 0.00 0.00 175.35 174.64 2a2q s SER 47 N -0.47 6.68 0.08 2.83 0.01 -1.26 -0.29 113.70 121.28 2a2q s SER 47 Ca 0.08 0.83 -0.07 0.00 1.31 0.00 0.00 55.95 58.11 2a2q s SER 47 Cb -0.12 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 2a2q s SER 47 CO 0.02 0.22 0.14 -0.54 0.41 0.00 0.00 173.24 173.49 2a2q s LYS 48 N -1.66 0.80 -1.25 12.44 -0.14 0.94 -4.94 119.74 125.93 2a2q s LYS 48 Ca 0.30 -1.03 -0.08 0.00 -1.36 0.00 0.00 55.97 53.79 2a2q s LYS 48 Cb -0.15 0.31 -0.01 0.00 -1.68 0.00 0.00 37.83 36.31 2a2q s LYS 48 CO 0.16 -0.23 0.69 0.00 -0.76 0.00 0.00 175.35 175.21 2a2q n PHE 50 N -4.19 2.43 -4.01 0.00 3.72 -1.26 -2.83 117.46 111.33 2a2q n PHE 50 Ca -0.21 -0.24 -0.32 0.00 -0.05 0.00 0.00 57.45 56.63 2a2q n PHE 50 Cb 0.64 -2.75 0.01 0.00 -0.94 0.00 0.00 39.48 36.44 2a2q n PHE 50 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2a2q n TYR 51 N 7.34 -2.15 -2.38 1.38 4.01 -0.26 -4.95 117.16 120.15 2a2q n TYR 51 Ca 0.21 0.88 -0.32 0.00 -0.16 0.00 0.00 57.90 58.51 2a2q n TYR 51 Cb 0.37 -3.69 -0.03 0.00 -0.31 0.00 0.00 39.34 35.68 2a2q n TYR 51 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2a2q s THR 52 N -3.30 4.37 -2.29 -0.72 -1.32 0.30 -4.58 115.64 108.10 2a2q s THR 52 Ca 0.69 1.18 0.20 0.00 -1.21 0.00 0.00 61.69 62.55 2a2q s THR 52 Cb -0.35 -3.64 0.10 0.00 -1.51 0.00 0.00 72.50 67.10 2a2q s THR 52 CO 0.86 -0.61 1.09 0.35 -2.21 0.00 0.00 174.62 174.10 2a2q n THR 53 N -1.54 0.00 -1.32 5.08 -2.24 -1.26 -1.18 114.28 111.81 2a2q n THR 53 Ca 0.07 -0.43 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 2a2q n THR 53 Cb 0.54 1.36 0.12 0.00 -2.10 0.00 0.00 70.33 70.25 2a2q n THR 53 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2a2q s ASP 54 N -1.88 3.86 -0.27 3.42 1.01 -1.26 -4.53 116.67 117.01 2a2q s ASP 54 Ca 0.21 1.44 0.08 0.00 0.71 0.00 0.00 52.55 55.00 2a2q s ASP 54 Cb 0.17 -2.14 0.45 0.00 1.01 0.00 0.00 42.92 42.41 2a2q s ASP 54 CO 0.34 -2.39 1.27 0.35 0.21 0.00 0.00 175.17 174.95 2a2q n THR 55 N -3.72 2.45 -3.54 -1.27 -2.24 -1.26 -4.88 114.28 99.83 2a2q n THR 55 Ca 0.07 -3.61 -0.12 0.00 -2.27 0.00 0.00 64.05 58.12 2a2q n THR 55 Cb 0.55 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 2a2q n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2a2q s GLU 56 N -3.43 1.14 -0.19 -0.78 -1.05 -1.26 -1.46 118.70 111.66 2a2q s GLU 56 Ca 0.46 -0.52 -0.07 0.00 -0.15 0.00 0.00 54.97 54.68 2a2q s GLU 56 Cb 0.40 0.51 0.09 0.00 -0.44 0.00 0.00 34.13 34.69 2a2q s GLU 56 CO -0.01 -0.46 0.42 0.00 0.95 0.00 0.00 175.26 176.16 2a2q s ASP 58 N 2.46 6.73 -0.02 0.00 2.15 -1.26 -1.11 116.67 125.61 2a2q s ASP 58 Ca -0.03 1.74 0.07 0.00 0.43 0.00 0.00 52.55 54.76 2a2q s ASP 58 Cb -0.12 -2.54 0.18 0.00 -0.30 0.00 0.00 42.92 40.15 2a2q s ASP 58 CO -0.13 -0.94 1.14 0.18 -0.17 0.00 0.00 175.17 175.25 2a2q n LEU 59 N 7.24 2.53 -0.12 -1.34 4.77 0.26 -4.76 117.00 125.57 2a2q n LEU 59 Ca 0.16 -2.17 -0.05 0.00 -0.03 0.00 0.00 56.01 53.92 2a2q n LEU 59 Cb 0.45 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2a2q n LEU 59 CO 0.60 0.62 0.72 0.74 -1.33 0.00 0.00 177.39 178.74 2a2q h THR 60 N 0.93 0.41 -0.04 -5.08 2.02 -1.78 -1.39 112.91 107.98 2a2q h THR 60 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2a2q h THR 60 Cb 0.70 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2a2q h THR 60 CO 0.02 0.00 0.04 0.44 0.37 0.00 0.00 175.52 176.39 2a2q h ASP 61 N -0.12 0.00 0.07 4.18 3.32 -1.91 -1.28 116.42 120.68 2a2q h ASP 61 Ca 0.20 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 2a2q h ASP 61 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2a2q h ASP 61 CO -0.49 0.00 -0.71 -0.33 -1.72 0.00 0.00 179.24 175.99 2a2q h GLU 62 N 0.00 0.15 -0.01 3.56 4.39 -1.64 -3.38 114.58 117.65 2a2q h GLU 62 Ca 0.02 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.36 2a2q h GLU 62 Cb 0.11 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2a2q h GLU 62 CO -0.00 1.12 -0.51 -0.84 -1.16 0.00 0.00 179.01 177.62 2a2q h ILE 63 N -0.66 1.37 0.00 3.13 -0.00 -1.06 -2.99 117.51 117.31 2a2q h ILE 63 Ca -0.15 -1.76 0.00 0.00 -0.00 0.00 0.00 64.86 62.95 2a2q h ILE 63 Cb 1.40 1.94 0.00 0.00 -0.00 0.00 0.00 36.82 40.16 2a2q h ILE 63 CO 0.03 0.50 0.00 1.33 -0.00 0.00 0.00 178.15 180.02 2a2q n VAL 64 N -3.93 0.30 0.13 0.16 0.24 -0.51 -2.19 118.33 112.53 2a2q n VAL 64 Ca -0.01 0.07 -0.02 0.00 -2.04 0.00 0.00 64.34 62.34 2a2q n VAL 64 Cb 0.53 -0.79 0.15 0.00 -1.47 0.00 0.00 33.84 32.26 2a2q n VAL 64 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2a2q h LYS 65 N 0.00 0.03 -0.91 7.34 1.57 -1.70 -3.41 116.57 119.49 2a2q h LYS 65 Ca 0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2a2q h LYS 65 Cb 0.10 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.21 2a2q h LYS 65 CO 0.00 0.65 -0.37 0.34 -0.57 0.00 0.00 179.45 179.50 2a2q s ASP 66 N -6.85 -1.46 0.52 0.86 -1.08 -0.93 -5.04 116.67 102.69 2a2q s ASP 66 Ca -0.02 -0.19 0.34 0.00 -0.52 0.00 0.00 52.55 52.17 2a2q s ASP 66 Cb 0.12 1.89 1.64 0.00 -1.46 0.00 0.00 42.92 45.11 2a2q s ASP 66 CO 0.77 -0.23 2.04 -0.37 0.52 0.00 0.00 175.17 177.90 2a2q h VAL 67 N 5.42 0.00 -0.00 1.11 -1.51 -1.76 -2.52 116.25 116.98 2a2q h VAL 67 Ca 0.01 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 2a2q h VAL 67 Cb 1.19 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2a2q h VAL 67 CO 0.10 0.00 -0.39 0.29 -1.23 0.00 0.00 177.57 176.35 2a2q n LYS 68 N -2.87 0.27 -1.37 5.19 5.02 -1.26 0.02 118.16 123.17 2a2q n LYS 68 Ca -0.01 -0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 55.83 2a2q n LYS 68 Cb 0.19 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 2a2q n LYS 68 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2a2q s GLN 69 N -2.83 1.93 -0.24 1.97 -1.52 -0.95 -4.89 119.66 113.13 2a2q s GLN 69 Ca 0.16 0.86 -0.05 0.00 -1.95 0.00 0.00 55.36 54.38 2a2q s GLN 69 Cb 0.18 -1.88 -0.01 0.00 -0.22 0.00 0.00 33.01 31.08 2a2q s GLN 69 CO 0.63 -1.78 -0.00 0.99 -0.25 0.00 0.00 175.29 174.88 2a2q s THR 70 N -3.01 3.63 0.14 -0.19 2.01 -1.26 -4.10 115.64 112.86 2a2q s THR 70 Ca 0.61 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.17 2a2q s THR 70 Cb -0.16 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2a2q s THR 70 CO 0.56 0.33 0.05 -0.31 -0.69 0.00 0.00 174.62 174.57 2a2q s TYR 71 N 1.50 3.01 0.01 4.92 1.51 0.15 -3.93 117.35 124.53 2a2q s TYR 71 Ca 0.05 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.08 2a2q s TYR 71 Cb -0.15 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2a2q s TYR 71 CO -0.01 0.51 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.70 2a2q s LEU 72 N -2.80 2.10 0.25 -1.29 1.98 -0.37 -0.26 118.68 118.28 2a2q s LEU 72 Ca 0.28 -0.27 0.03 0.00 -2.89 0.00 0.00 54.13 51.29 2a2q s LEU 72 Cb -0.10 -0.29 -0.05 0.00 0.66 0.00 0.00 46.19 46.41 2a2q s LEU 72 CO 0.20 -0.01 0.02 0.00 -1.89 0.00 0.00 176.35 174.67 2a2q s ALA 73 N -0.57 1.87 -0.08 5.97 0.00 -1.26 -1.61 121.76 126.08 2a2q s ALA 73 Ca -0.01 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.00 2a2q s ALA 73 Cb -0.05 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.67 2a2q s ALA 73 CO 0.00 -0.28 0.33 -0.98 0.00 0.00 0.00 175.76 174.83 2a2q s ARG 74 N -3.88 0.51 -0.23 0.00 1.70 -0.58 0.31 118.95 116.77 2a2q s ARG 74 Ca 0.30 0.20 -0.04 0.00 -0.47 0.00 0.00 55.73 55.72 2a2q s ARG 74 Cb 0.06 0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 2a2q s ARG 74 CO 0.10 -0.10 -0.02 0.08 -1.08 0.00 0.00 175.30 174.28 2a2q s VAL 75 N -0.45 3.50 0.05 4.99 1.01 -0.35 -1.32 120.40 127.83 2a2q s VAL 75 Ca -0.06 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2a2q s VAL 75 Cb -0.04 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.65 2a2q s VAL 75 CO 0.02 0.36 0.57 -0.36 0.00 0.00 0.00 175.10 175.69 2a2q s PHE 76 N 1.48 3.78 -0.14 5.22 0.08 0.10 -2.32 117.98 126.18 2a2q s PHE 76 Ca 0.05 1.24 -0.04 0.00 0.12 0.00 0.00 56.93 58.30 2a2q s PHE 76 Cb -0.15 -2.51 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 2a2q s PHE 76 CO -0.02 0.54 -0.01 -1.12 -0.10 0.00 0.00 175.22 174.51 2a2q s SER 77 N -0.90 5.08 -0.02 1.36 0.01 -0.05 -2.19 113.70 117.00 2a2q s SER 77 Ca 0.29 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.58 2a2q s SER 77 Cb -0.19 -1.74 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 2a2q s SER 77 CO 0.18 0.22 -0.17 -0.31 0.41 0.00 0.00 173.24 173.58 2a2q s TYR 78 N 0.05 1.54 0.53 2.43 1.51 0.17 -3.90 117.35 119.69 2a2q s TYR 78 Ca 0.02 -0.32 -0.20 0.00 -1.01 0.00 0.00 57.07 55.56 2a2q s TYR 78 Cb -0.13 -1.00 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 2a2q s TYR 78 CO 0.02 -0.05 1.14 -2.14 -1.11 0.00 0.00 175.55 173.40 2a2q s PRO 79 N -0.30 3.40 0.21 -1.71 0.02 -1.26 -0.57 135.00 134.78 2a2q s PRO 79 Ca 0.04 1.64 -0.31 0.00 0.02 0.00 0.00 61.00 62.39 2a2q s PRO 79 Cb -0.08 -2.05 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 2a2q s PRO 79 CO -0.00 -0.82 1.63 0.00 -0.33 0.00 0.00 177.00 177.48 2a2q s ALA 80 N -1.74 3.84 0.00 -1.55 0.00 -0.30 -3.20 121.76 118.80 2a2q s ALA 80 Ca 0.72 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.17 2a2q s ALA 80 Cb -0.25 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2a2q s ALA 80 CO 0.28 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2a2q n GLY 81 N 3.55 3.74 0.00 0.00 0.00 -1.26 -5.00 105.19 106.22 2a2q n GLY 81 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2a2q n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2a2q n ASN 82 N 0.00 0.00 -2.01 1.61 3.02 -1.20 -5.25 115.26 111.43 2a2q n ASN 82 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2a2q n ASN 82 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 2a2q n ASN 82 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a2q n GLY 90 N 2.20 -4.90 3.68 7.41 0.00 -1.26 -4.77 105.19 107.55 2a2q n GLY 90 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2a2q n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a2q s GLU 91 N -0.98 4.17 0.85 1.61 2.02 -1.26 -4.99 118.70 120.12 2a2q s GLU 91 Ca -0.04 2.42 -0.11 0.00 0.02 0.00 0.00 54.97 57.25 2a2q s GLU 91 Cb 0.00 -3.77 0.10 0.00 0.10 0.00 0.00 34.13 30.57 2a2q s GLU 91 CO 0.11 -0.82 1.09 -1.25 0.02 0.00 0.00 175.26 174.42 2a2q s PRO 92 N 3.24 1.62 0.32 0.39 0.04 -1.26 -5.01 135.00 134.33 2a2q s PRO 92 Ca 0.78 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 62.31 2a2q s PRO 92 Cb -0.41 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2a2q s PRO 92 CO 0.34 -1.98 1.13 -1.17 0.04 0.00 0.00 177.00 175.37 2a2q s LEU 93 N -6.04 4.44 0.20 -3.56 2.96 -1.25 -4.90 118.68 110.53 2a2q s LEU 93 Ca 0.62 2.31 -0.19 0.00 -0.22 0.00 0.00 54.13 56.65 2a2q s LEU 93 Cb -0.17 -3.75 0.04 0.00 0.50 0.00 0.00 46.19 42.81 2a2q s LEU 93 CO 0.56 -0.31 0.58 -0.72 -1.32 0.00 0.00 176.35 175.13 2a2q s TYR 94 N -1.25 -0.23 -0.02 5.38 1.13 -1.26 -0.87 117.35 120.23 2a2q s TYR 94 Ca 0.48 -0.10 0.02 0.00 -1.41 0.00 0.00 57.07 56.06 2a2q s TYR 94 Cb -0.32 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 2a2q s TYR 94 CO 0.41 -0.96 -0.05 -2.00 -2.51 0.00 0.00 175.55 170.43 2a2q s GLU 95 N -3.85 0.57 0.33 -3.49 2.56 -0.98 -4.87 118.70 108.96 2a2q s GLU 95 Ca 0.08 -0.18 -0.15 0.00 0.00 0.00 0.00 54.97 54.72 2a2q s GLU 95 Cb -0.02 -0.57 -0.09 0.00 2.00 0.00 0.00 34.13 35.45 2a2q s GLU 95 CO -0.03 0.07 0.74 -0.80 -0.56 0.00 0.00 175.26 174.68 2a2q s ASN 96 N 0.17 6.77 0.53 -1.70 0.01 -1.26 -1.21 114.94 118.25 2a2q s ASN 96 Ca -0.02 1.29 0.03 0.00 -0.71 0.00 0.00 52.86 53.45 2a2q s ASN 96 Cb -0.06 -2.38 0.04 0.00 0.41 0.00 0.00 41.25 39.26 2a2q s ASN 96 CO -0.00 -0.21 0.74 -0.94 -1.51 0.00 0.00 177.10 175.17 2a2q s SER 97 N -2.29 5.29 0.77 -1.22 1.04 0.15 -4.88 113.70 112.55 2a2q s SER 97 Ca 0.54 -0.21 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 2a2q s SER 97 Cb -0.10 -0.67 0.06 0.00 0.10 0.00 0.00 66.02 65.41 2a2q s SER 97 CO 0.17 -1.11 1.09 -2.84 0.98 0.00 0.00 173.24 171.53 2a2q s PRO 98 N -4.68 2.28 0.62 4.02 0.02 -1.26 -4.65 135.00 131.36 2a2q s PRO 98 Ca 0.58 1.12 -0.15 0.00 0.02 0.00 0.00 61.00 62.57 2a2q s PRO 98 Cb -0.10 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 2a2q s PRO 98 CO 0.37 -1.62 1.08 -1.21 -0.33 0.00 0.00 177.00 175.30 2a2q s GLU 99 N -4.92 3.09 -0.06 5.54 2.02 -1.26 -4.58 118.70 118.53 2a2q s GLU 99 Ca 0.61 1.26 -0.02 0.00 0.02 0.00 0.00 54.97 56.84 2a2q s GLU 99 Cb -0.17 -2.00 0.04 0.00 0.10 0.00 0.00 34.13 32.10 2a2q s GLU 99 CO 0.56 -1.00 0.11 0.12 0.02 0.00 0.00 175.26 175.08 2a2q s PHE 100 N -2.44 -0.08 -0.44 1.61 5.36 0.64 -4.96 117.98 117.66 2a2q s PHE 100 Ca 0.65 0.44 -0.02 0.00 -0.96 0.00 0.00 56.93 57.03 2a2q s PHE 100 Cb -0.18 -0.29 0.12 0.00 -0.34 0.00 0.00 43.02 42.33 2a2q s PHE 100 CO 0.40 -0.21 0.23 0.99 -1.46 0.00 0.00 175.22 175.17 2a2q s THR 101 N 1.93 3.25 0.23 0.12 2.01 -1.26 -0.68 115.64 121.25 2a2q s THR 101 Ca 0.00 -2.27 -0.13 0.00 0.31 0.00 0.00 61.69 59.60 2a2q s THR 101 Cb -0.12 -3.22 0.30 0.00 0.01 0.00 0.00 72.50 69.46 2a2q s THR 101 CO -0.05 -0.72 1.60 -0.65 -0.69 0.00 0.00 174.62 174.11 2a2q h PRO 102 N 7.80 -0.02 -0.73 4.92 0.11 -1.70 -0.06 132.00 142.33 2a2q h PRO 102 Ca -0.10 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.06 2a2q h PRO 102 Cb 1.02 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 2a2q h PRO 102 CO 0.69 -0.01 0.48 -0.92 -0.21 0.00 0.00 178.00 178.02 2a2q h TYR 103 N -0.02 0.81 0.00 0.65 5.03 -0.72 0.93 116.97 123.66 2a2q h TYR 103 Ca 0.36 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.69 2a2q h TYR 103 Cb 0.56 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.58 2a2q h TYR 103 CO -0.63 0.45 -0.94 1.28 -1.32 0.00 0.00 178.16 177.01 2a2q n LEU 104 N -4.47 0.78 0.00 2.82 4.77 -0.63 -4.59 117.00 115.68 2a2q n LEU 104 Ca 0.10 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2a2q n LEU 104 Cb 0.17 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2a2q n LEU 104 CO 0.34 -0.13 -0.25 -0.62 -1.33 0.00 0.00 177.39 175.40 2a2q n GLU 105 N -2.47 3.07 -1.86 3.23 1.02 -0.13 -4.99 120.64 118.51 2a2q n GLU 105 Ca 0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2a2q n GLU 105 Cb 0.51 -0.73 -0.02 0.00 -0.02 0.00 0.00 31.44 31.18 2a2q n GLU 105 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2a2q s THR 106 N -1.41 2.28 0.53 2.62 -1.32 0.28 -4.94 115.64 113.69 2a2q s THR 106 Ca 0.00 0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.51 2a2q s THR 106 Cb 0.00 -3.15 -0.06 0.00 -1.51 0.00 0.00 72.50 67.78 2a2q s THR 106 CO 0.00 0.04 1.15 0.20 -2.21 0.00 0.00 174.62 173.80 2a2q s ASN 107 N 0.46 5.76 -0.12 8.08 0.01 -0.16 -4.81 114.94 124.16 2a2q s ASN 107 Ca 0.62 2.24 -0.23 0.00 -0.71 0.00 0.00 52.86 54.78 2a2q s ASN 107 Cb -0.46 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.59 2a2q s ASN 107 CO 0.46 -1.19 0.71 -0.76 -1.51 0.00 0.00 177.10 174.80 2a2q s LEU 108 N -3.64 4.24 0.83 0.60 1.43 -1.26 -1.43 118.68 119.44 2a2q s LEU 108 Ca 0.71 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.79 2a2q s LEU 108 Cb -0.26 -3.06 0.09 0.00 0.03 0.00 0.00 46.19 42.99 2a2q s LEU 108 CO 0.30 -0.22 1.11 -0.83 0.23 0.00 0.00 176.35 176.94 2a2q s GLY 109 N 0.97 1.67 0.05 -3.19 0.00 -1.26 -4.20 107.32 101.36 2a2q s GLY 109 Ca 0.35 0.32 -0.31 0.00 0.00 0.00 0.00 44.72 45.09 2a2q s GLY 109 CO 0.15 0.71 1.55 1.62 0.00 0.00 0.00 173.10 177.12 2a2q s GLN 110 N -4.83 4.23 0.83 2.90 0.74 -1.26 -4.62 119.66 117.65 2a2q s GLN 110 Ca 0.63 2.19 -0.12 0.00 0.05 0.00 0.00 55.36 58.11 2a2q s GLN 110 Cb -0.19 -3.56 0.09 0.00 1.10 0.00 0.00 33.01 30.45 2a2q s GLN 110 CO 0.57 -0.66 1.19 -2.14 -0.55 0.00 0.00 175.29 173.70 2a2q s PRO 111 N 2.45 1.81 -0.04 1.67 0.02 -1.26 -5.01 135.00 134.64 2a2q s PRO 111 Ca 0.70 0.07 0.01 0.00 0.02 0.00 0.00 61.00 61.80 2a2q s PRO 111 Cb -0.37 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.23 2a2q s PRO 111 CO 0.30 -1.70 -0.04 0.99 -0.33 0.00 0.00 177.00 176.22 2a2q s THR 112 N -3.60 0.50 -0.34 0.99 2.01 -1.26 -4.33 115.64 109.61 2a2q s THR 112 Ca 0.63 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 2a2q s THR 112 Cb -0.10 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.89 2a2q s THR 112 CO 0.49 0.21 1.44 -0.63 -0.69 0.00 0.00 174.62 175.44 2a2q s ILE 113 N 0.79 3.92 0.09 1.82 1.01 -1.26 -0.78 121.20 126.78 2a2q s ILE 113 Ca -0.10 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 61.38 2a2q s ILE 113 Cb -0.13 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 2a2q s ILE 113 CO 0.00 -0.57 1.40 -0.61 0.00 0.00 0.00 174.94 175.17 2a2q h GLN 114 N 10.40 0.68 -2.01 2.79 4.15 -0.68 -3.45 115.11 126.98 2a2q h GLN 114 Ca -0.28 -0.37 0.25 0.00 0.77 0.00 0.00 58.65 59.01 2a2q h GLN 114 Cb 1.11 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.74 2a2q h GLN 114 CO 1.05 0.98 0.68 -1.54 -1.93 0.00 0.00 178.83 178.07 2a2q s SER 115 N -6.54 -0.08 -0.13 -0.69 1.04 -1.00 -4.99 113.70 101.31 2a2q s SER 115 Ca -0.12 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 2a2q s SER 115 Cb 0.08 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2a2q s SER 115 CO 0.83 -0.63 0.32 0.72 0.98 0.00 0.00 173.24 175.45 2a2q s PHE 116 N -2.63 -0.42 -0.04 5.02 -0.12 -1.26 -0.99 117.98 117.54 2a2q s PHE 116 Ca 0.16 0.96 0.03 0.00 -0.05 0.00 0.00 56.93 58.03 2a2q s PHE 116 Cb 0.01 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 2a2q s PHE 116 CO 0.00 -0.25 -0.12 -2.00 -0.05 0.00 0.00 175.22 172.81 2a2q s GLU 117 N 0.99 1.40 -0.76 1.99 2.12 0.15 -4.94 118.70 119.65 2a2q s GLU 117 Ca -0.07 -0.40 -0.24 0.00 0.36 0.00 0.00 54.97 54.62 2a2q s GLU 117 Cb -0.07 -1.22 0.06 0.00 0.26 0.00 0.00 34.13 33.15 2a2q s GLU 117 CO -0.07 0.10 1.17 -1.14 -0.54 0.00 0.00 175.26 174.78 2a2q s GLN 118 N 0.37 3.25 -0.49 4.30 2.00 -1.26 0.66 119.66 128.49 2a2q s GLN 118 Ca -0.08 -0.71 -0.14 0.00 -2.00 0.00 0.00 55.36 52.43 2a2q s GLN 118 Cb -0.12 -4.42 0.10 0.00 0.80 0.00 0.00 33.01 29.37 2a2q s GLN 118 CO 0.02 -2.00 0.41 0.08 -0.50 0.00 0.00 175.29 173.30 2a2q s VAL 119 N 4.75 5.04 0.00 1.34 1.01 0.10 -4.93 120.40 127.71 2a2q s VAL 119 Ca 0.31 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2a2q s VAL 119 Cb -0.10 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2a2q s VAL 119 CO 0.08 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2a2q n GLY 120 N 5.16 2.36 0.98 4.51 0.00 -1.26 -2.34 105.19 114.61 2a2q n GLY 120 Ca -0.12 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.57 2a2q n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a2q n THR 121 N 0.00 1.86 -4.36 2.61 5.66 -1.26 -4.98 114.28 113.81 2a2q n THR 121 Ca 0.00 -1.48 -0.18 0.00 -3.05 0.00 0.00 64.05 59.34 2a2q n THR 121 Cb 0.00 0.03 -0.10 0.00 -1.55 0.00 0.00 70.33 68.71 2a2q n THR 121 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2a2q s LYS 122 N -2.12 1.42 -0.10 1.09 1.02 -0.99 -2.97 119.74 117.09 2a2q s LYS 122 Ca 0.39 -1.74 0.04 0.00 0.02 0.00 0.00 55.97 54.68 2a2q s LYS 122 Cb 0.28 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 2a2q s LYS 122 CO 0.14 -0.13 -0.22 0.08 -0.92 0.00 0.00 175.35 174.30 2a2q s VAL 123 N -3.41 1.94 -0.18 3.17 1.01 -0.26 0.00 120.40 122.67 2a2q s VAL 123 Ca 0.31 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2a2q s VAL 123 Cb 0.06 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2a2q s VAL 123 CO 0.11 0.53 0.23 0.21 0.00 0.00 0.00 175.10 176.18 2a2q s ASN 124 N 0.44 6.35 -0.17 3.32 3.84 0.21 -1.34 114.94 127.59 2a2q s ASN 124 Ca -0.17 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.30 2a2q s ASN 124 Cb -0.17 -2.15 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2a2q s ASN 124 CO 0.07 0.12 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.66 2a2q s VAL 125 N 0.48 2.58 -0.15 -5.21 1.01 0.10 0.30 120.40 119.51 2a2q s VAL 125 Ca 0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2a2q s VAL 125 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2a2q s VAL 125 CO 0.02 0.51 -0.06 -0.89 0.00 0.00 0.00 175.10 174.68 2a2q s THR 126 N 0.98 3.65 -0.13 3.92 2.01 -0.16 -0.43 115.64 125.48 2a2q s THR 126 Ca -0.02 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.38 2a2q s THR 126 Cb -0.15 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2a2q s THR 126 CO -0.03 0.50 0.38 -0.69 -0.69 0.00 0.00 174.62 174.09 2a2q s VAL 127 N 0.42 5.23 0.35 3.82 1.01 0.92 0.04 120.40 132.20 2a2q s VAL 127 Ca -0.05 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 2a2q s VAL 127 Cb -0.15 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 2a2q s VAL 127 CO 0.03 0.38 1.47 -0.70 0.00 0.00 0.00 175.10 176.29 2a2q s GLU 128 N 0.38 4.15 0.15 2.72 2.12 0.04 -4.74 118.70 123.52 2a2q s GLU 128 Ca 0.21 2.51 -0.32 0.00 0.36 0.00 0.00 54.97 57.73 2a2q s GLU 128 Cb -0.14 -3.00 -0.12 0.00 0.26 0.00 0.00 34.13 31.13 2a2q s GLU 128 CO 0.07 -0.49 1.77 -0.25 -0.54 0.00 0.00 175.26 175.82 2a2q n ASP 129 N 0.84 3.90 -4.61 -1.70 8.00 -1.26 -4.66 116.55 117.05 2a2q n ASP 129 Ca 0.02 1.03 -0.42 0.00 0.71 0.00 0.00 54.79 56.13 2a2q n ASP 129 Cb 0.39 -1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 39.91 2a2q n ASP 129 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a2q s GLU 130 N 1.96 3.92 0.25 -1.24 2.02 -1.26 -4.96 118.70 119.37 2a2q s GLU 130 Ca 0.79 0.58 -0.17 0.00 0.02 0.00 0.00 54.97 56.20 2a2q s GLU 130 Cb -0.52 -3.75 -0.08 0.00 0.10 0.00 0.00 34.13 29.87 2a2q s GLU 130 CO 0.36 -0.77 0.69 -0.98 0.02 0.00 0.00 175.26 174.58 2a2q s ARG 131 N 3.12 4.10 0.50 1.61 1.70 -1.26 0.66 118.95 129.39 2a2q s ARG 131 Ca 0.34 0.71 0.03 0.00 -0.47 0.00 0.00 55.73 56.35 2a2q s ARG 131 Cb -0.13 -2.72 -0.01 0.00 -0.57 0.00 0.00 34.95 31.51 2a2q s ARG 131 CO 0.14 0.32 0.11 0.95 -1.08 0.00 0.00 175.30 175.74 2a2q s THR 132 N -1.69 1.42 -1.71 4.99 -4.23 0.13 -4.82 115.64 109.74 2a2q s THR 132 Ca 0.46 -1.86 0.30 0.00 -1.18 0.00 0.00 61.69 59.41 2a2q s THR 132 Cb -0.14 -2.28 0.58 0.00 1.34 0.00 0.00 72.50 71.99 2a2q s THR 132 CO 0.20 0.00 1.99 0.18 -0.54 0.00 0.00 174.62 176.44 2a2q n LEU 133 N -1.35 0.30 -4.67 4.79 7.99 -0.68 -4.22 117.00 119.15 2a2q n LEU 133 Ca -0.13 0.06 -0.43 0.00 -0.01 0.00 0.00 56.01 55.50 2a2q n LEU 133 Cb 0.66 -0.16 -0.02 0.00 -0.11 0.00 0.00 43.42 43.79 2a2q n LEU 133 CO 0.40 0.05 0.88 -0.69 -1.51 0.00 0.00 177.39 176.52 2a2q s VAL 134 N -2.37 4.67 -0.79 4.08 1.01 -1.26 -4.94 120.40 120.80 2a2q s VAL 134 Ca 0.33 1.99 0.01 0.00 0.00 0.00 0.00 61.98 64.31 2a2q s VAL 134 Cb 0.21 -4.28 0.19 0.00 0.00 0.00 0.00 36.38 32.50 2a2q s VAL 134 CO 0.44 -0.10 0.63 0.00 0.00 0.00 0.00 175.10 176.07 2a2q s ARG 135 N 2.74 2.87 0.38 2.72 1.70 -1.26 -0.01 118.95 128.10 2a2q s ARG 135 Ca 0.47 -3.22 -0.27 0.00 -0.47 0.00 0.00 55.73 52.24 2a2q s ARG 135 Cb -0.17 -3.72 -0.09 0.00 -0.57 0.00 0.00 34.95 30.40 2a2q s ARG 135 CO 0.12 -1.26 1.28 0.50 -1.08 0.00 0.00 175.30 174.86 2a2q s ARG 136 N -1.24 4.12 -0.41 3.89 3.52 0.18 -3.84 118.95 125.17 2a2q s ARG 136 Ca 0.25 2.13 -0.07 0.00 -0.13 0.00 0.00 55.73 57.91 2a2q s ARG 136 Cb -0.08 -2.86 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 2a2q s ARG 136 CO -0.13 -0.35 0.13 0.09 -0.81 0.00 0.00 175.30 174.23 2a2q n ASN 137 N 0.37 -0.65 0.00 -2.12 3.02 -1.26 0.03 115.26 114.64 2a2q n ASN 137 Ca 0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 2a2q n ASN 137 Cb 0.43 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2a2q n ASN 137 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2a2q n ASN 138 N -0.25 0.00 -4.73 6.41 0.23 -1.25 -5.05 115.26 110.61 2a2q n ASN 138 Ca -0.06 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.77 2a2q n ASN 138 Cb 0.19 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.83 2a2q n ASN 138 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2a2q s THR 139 N -2.01 3.69 -0.06 5.53 -4.23 0.10 -5.05 115.64 113.62 2a2q s THR 139 Ca 0.00 -1.68 -0.28 0.00 -1.18 0.00 0.00 61.69 58.55 2a2q s THR 139 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 2a2q s THR 139 CO 0.00 -0.32 0.93 -0.36 -0.54 0.00 0.00 174.62 174.33 2a2q s PHE 140 N -2.28 3.58 0.38 3.99 0.08 -1.26 -0.65 117.98 121.81 2a2q s PHE 140 Ca 0.34 1.55 -0.24 0.00 0.12 0.00 0.00 56.93 58.70 2a2q s PHE 140 Cb -0.06 -3.08 -0.10 0.00 -0.57 0.00 0.00 43.02 39.21 2a2q s PHE 140 CO 0.22 -0.09 0.98 -0.51 -0.10 0.00 0.00 175.22 175.73 2a2q s LEU 141 N 1.41 4.16 0.82 -0.37 1.43 0.99 -4.76 118.68 122.36 2a2q s LEU 141 Ca 0.47 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.32 2a2q s LEU 141 Cb -0.19 -4.22 0.10 0.00 0.03 0.00 0.00 46.19 41.91 2a2q s LEU 141 CO 0.22 -0.30 1.17 -0.94 0.23 0.00 0.00 176.35 176.73 2a2q s SER 142 N -1.76 4.25 0.23 2.29 1.04 -1.26 0.19 113.70 118.69 2a2q s SER 142 Ca 0.56 0.56 -0.05 0.00 0.48 0.00 0.00 55.95 57.50 2a2q s SER 142 Cb -0.17 -0.98 0.22 0.00 0.10 0.00 0.00 66.02 65.19 2a2q s SER 142 CO 0.22 -2.03 1.73 -0.07 0.98 0.00 0.00 173.24 174.07 2a2q h LEU 143 N -1.08 0.92 -0.88 2.42 3.38 -0.09 -2.47 115.31 117.51 2a2q h LEU 143 Ca -0.45 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.21 2a2q h LEU 143 Cb 1.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2a2q h LEU 143 CO 0.58 0.94 -0.22 -0.09 0.09 0.00 0.00 178.44 179.74 2a2q h ARG 144 N 0.90 0.58 -0.91 1.13 2.43 -1.91 0.15 114.38 116.75 2a2q h ARG 144 Ca 0.18 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2a2q h ARG 144 Cb 0.43 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 2a2q h ARG 144 CO 0.01 0.76 0.60 -0.44 -1.51 0.00 0.00 179.97 179.39 2a2q h ASP 145 N 0.52 1.02 0.04 -3.80 3.32 -1.82 0.32 116.42 116.01 2a2q h ASP 145 Ca 0.08 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 2a2q h ASP 145 Cb 0.66 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2a2q h ASP 145 CO 0.05 0.72 -0.38 0.58 -1.72 0.00 0.00 179.24 178.49 2a2q h VAL 146 N 1.19 1.59 0.00 -1.35 2.07 -1.10 -3.38 116.25 115.26 2a2q h VAL 146 Ca 0.35 -2.21 -0.22 0.00 0.82 0.00 0.00 66.70 65.44 2a2q h VAL 146 Cb -0.07 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2a2q h VAL 146 CO -0.10 0.61 -1.42 -0.26 0.02 0.00 0.00 177.57 176.42 2a2q h PHE 147 N -0.55 0.00 0.00 1.57 0.04 -0.68 -3.50 116.94 113.83 2a2q h PHE 147 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2a2q h PHE 147 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 2a2q h PHE 147 CO 0.21 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 179.11 2a2q n GLY 148 N 1.44 3.59 0.24 -1.45 0.00 0.11 -1.57 105.19 107.55 2a2q n GLY 148 Ca -0.11 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.01 2a2q n GLY 148 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2a2q h LYS 149 N 0.00 0.00 0.00 1.61 2.10 -1.93 -1.81 116.57 116.54 2a2q h LYS 149 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2a2q h LYS 149 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2a2q h LYS 149 CO 0.00 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 177.01 2a2q h ASP 150 N 0.00 0.00 -3.33 7.07 3.32 -1.69 -3.44 116.42 118.36 2a2q h ASP 150 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 2a2q h ASP 150 Cb 0.13 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.50 2a2q h ASP 150 CO 0.00 0.00 -0.64 -0.22 -1.72 0.00 0.00 179.24 176.66 2a2q s LEU 151 N -4.87 3.45 0.14 1.55 2.96 -0.68 -3.91 118.68 117.32 2a2q s LEU 151 Ca 0.06 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2a2q s LEU 151 Cb 0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2a2q s LEU 151 CO 0.49 0.25 -0.07 0.27 -1.32 0.00 0.00 176.35 175.98 2a2q s ILE 152 N -0.12 0.95 -0.01 6.68 -4.36 -0.09 -4.83 121.20 119.43 2a2q s ILE 152 Ca 0.04 -2.01 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 2a2q s ILE 152 Cb -0.13 -1.87 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 2a2q s ILE 152 CO 0.02 -0.72 -0.23 -0.31 0.24 0.00 0.00 174.94 173.94 2a2q s TYR 153 N -3.47 2.42 0.08 1.37 2.02 -0.84 -0.90 117.35 118.03 2a2q s TYR 153 Ca 0.17 -0.37 0.08 0.00 -0.37 0.00 0.00 57.07 56.58 2a2q s TYR 153 Cb 0.04 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 2a2q s TYR 153 CO 0.00 0.06 -0.17 0.95 -1.57 0.00 0.00 175.55 174.83 2a2q s THR 154 N -0.70 2.91 -0.11 -0.71 -4.23 -0.13 -1.33 115.64 111.34 2a2q s THR 154 Ca 0.11 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2a2q s THR 154 Cb -0.10 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.45 2a2q s THR 154 CO 0.01 0.21 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.86 2a2q s LEU 155 N -1.83 2.02 -0.28 4.79 2.96 0.94 -1.26 118.68 126.02 2a2q s LEU 155 Ca 0.17 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2a2q s LEU 155 Cb -0.11 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2a2q s LEU 155 CO 0.08 0.11 0.06 -0.31 -1.32 0.00 0.00 176.35 174.97 2a2q s TYR 156 N 0.57 3.13 0.09 5.38 2.02 0.22 -0.60 117.35 128.16 2a2q s TYR 156 Ca -0.14 -1.03 0.01 0.00 -0.37 0.00 0.00 57.07 55.54 2a2q s TYR 156 Cb -0.17 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.13 2a2q s TYR 156 CO 0.04 -0.59 -0.06 1.52 -1.57 0.00 0.00 175.55 174.89 2a2q s TYR 157 N 1.48 0.83 -0.38 2.71 1.13 -1.26 -1.25 117.35 120.61 2a2q s TYR 157 Ca 0.02 -0.90 0.04 0.00 -1.41 0.00 0.00 57.07 54.83 2a2q s TYR 157 Cb -0.17 -0.49 0.16 0.00 -1.10 0.00 0.00 41.96 40.36 2a2q s TYR 157 CO 0.01 -0.17 0.42 1.67 -2.51 0.00 0.00 175.55 174.98 2a2q s TRP 158 N -3.46 -0.50 0.00 -3.49 -2.14 -0.68 -4.57 118.94 104.09 2a2q s TRP 158 Ca 0.09 -0.70 0.00 0.00 2.66 0.00 0.00 56.10 58.15 2a2q s TRP 158 Cb 0.04 -0.30 0.00 0.00 -3.10 0.00 0.00 33.47 30.12 2a2q s TRP 158 CO -0.05 -1.00 0.00 1.17 -2.66 0.00 0.00 176.95 174.41 2a2q n LYS 166 N 4.20 3.13 -4.07 3.25 0.00 -1.26 -0.32 118.16 123.09 2a2q n LYS 166 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 58.31 58.26 2a2q n LYS 166 Cb 0.47 -0.93 -0.15 0.00 0.00 0.00 0.00 35.03 34.42 2a2q n LYS 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2a2q s THR 167 N -1.86 0.33 0.07 3.15 2.01 -1.26 -4.27 115.64 113.81 2a2q s THR 167 Ca 0.00 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 2a2q s THR 167 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2a2q s THR 167 CO 0.00 0.13 -0.08 0.00 -0.69 0.00 0.00 174.62 173.98 2a2q s ALA 168 N 0.40 0.83 0.00 7.40 0.00 0.23 -4.97 121.76 125.65 2a2q s ALA 168 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.92 2a2q s ALA 168 Cb -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2a2q s ALA 168 CO -0.01 -0.06 -0.05 0.15 0.00 0.00 0.00 175.76 175.80 2a2q s LYS 169 N -2.39 0.38 0.04 0.00 1.02 -1.26 -0.04 119.74 117.49 2a2q s LYS 169 Ca -0.01 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2a2q s LYS 169 Cb -0.05 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2a2q s LYS 169 CO -0.01 0.09 -0.08 -0.08 -0.92 0.00 0.00 175.35 174.35 2a2q s THR 170 N -0.26 0.56 -2.12 2.17 -1.32 -0.44 -5.01 115.64 109.21 2a2q s THR 170 Ca 0.00 -1.00 0.27 0.00 -1.21 0.00 0.00 61.69 59.75 2a2q s THR 170 Cb -0.03 -0.61 0.40 0.00 -1.51 0.00 0.00 72.50 70.76 2a2q s THR 170 CO -0.00 -0.32 1.65 0.59 -2.21 0.00 0.00 174.62 174.32 2a2q n ASN 171 N 1.61 1.28 0.00 8.08 3.02 -1.26 -1.98 115.26 126.01 2a2q n ASN 171 Ca -0.22 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 2a2q n ASN 171 Cb 0.55 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 2a2q n ASN 171 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2a2q n THR 172 N -0.23 0.00 -1.05 3.41 -2.24 -1.26 -4.92 114.28 107.99 2a2q n THR 172 Ca 0.15 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 2a2q n THR 172 Cb 0.35 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.77 2a2q n THR 172 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2a2q n ASN 173 N 0.00 2.89 -4.06 3.42 4.13 -1.26 -4.39 115.26 116.00 2a2q n ASN 173 Ca 0.00 -3.08 -0.18 0.00 1.68 0.00 0.00 54.58 53.00 2a2q n ASN 173 Cb 0.00 -0.47 -0.14 0.00 -1.54 0.00 0.00 39.78 37.63 2a2q n ASN 173 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2a2q s GLU 174 N -2.87 0.74 -0.03 3.52 2.02 -1.26 -0.06 118.70 120.76 2a2q s GLU 174 Ca 0.36 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.93 2a2q s GLU 174 Cb 0.30 -0.70 -0.01 0.00 0.10 0.00 0.00 34.13 33.82 2a2q s GLU 174 CO 0.05 0.18 -0.23 -0.06 0.02 0.00 0.00 175.26 175.22 2a2q s PHE 175 N -0.53 2.16 -0.31 1.61 0.40 0.42 -4.77 117.98 116.96 2a2q s PHE 175 Ca 0.01 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2a2q s PHE 175 Cb -0.05 -1.41 0.09 0.00 0.51 0.00 0.00 43.02 42.16 2a2q s PHE 175 CO 0.00 -0.10 0.04 -1.17 0.70 0.00 0.00 175.22 174.69 2a2q s LEU 176 N -0.37 3.78 0.21 -0.37 1.98 -1.26 0.00 118.68 122.65 2a2q s LEU 176 Ca 0.04 -1.86 0.09 0.00 -2.89 0.00 0.00 54.13 49.50 2a2q s LEU 176 Cb -0.11 -1.37 -0.04 0.00 0.66 0.00 0.00 46.19 45.33 2a2q s LEU 176 CO 0.01 -0.36 -0.04 0.27 -1.89 0.00 0.00 176.35 174.34 2a2q s ILE 177 N 1.16 3.39 -0.05 6.68 -4.36 -0.45 -4.95 121.20 122.62 2a2q s ILE 177 Ca 0.07 -1.71 -0.22 0.00 -0.26 0.00 0.00 60.65 58.53 2a2q s ILE 177 Cb -0.19 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2a2q s ILE 177 CO -0.12 -0.21 0.64 -1.81 0.24 0.00 0.00 174.94 173.68 2a2q s ASP 178 N -3.18 6.96 0.23 4.36 1.01 -1.26 -1.10 116.67 123.69 2a2q s ASP 178 Ca 0.28 1.14 0.07 0.00 0.71 0.00 0.00 52.55 54.75 2a2q s ASP 178 Cb -0.08 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2a2q s ASP 178 CO 0.18 -0.02 -0.11 0.68 0.21 0.00 0.00 175.17 176.11 2a2q s VAL 179 N 0.40 1.65 0.18 -1.27 -7.23 -1.16 -4.93 120.40 108.04 2a2q s VAL 179 Ca 0.34 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.23 2a2q s VAL 179 Cb -0.18 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 2a2q s VAL 179 CO 0.17 -0.49 0.52 -1.81 -0.31 0.00 0.00 175.10 173.17 2a2q s ASP 180 N -3.35 6.67 0.07 4.85 1.01 -1.26 -4.79 116.67 119.88 2a2q s ASP 180 Ca 0.25 0.92 -0.34 0.00 0.71 0.00 0.00 52.55 54.09 2a2q s ASP 180 Cb 0.01 -2.23 -0.13 0.00 1.01 0.00 0.00 42.92 41.59 2a2q s ASP 180 CO 0.08 0.02 1.71 0.29 0.21 0.00 0.00 175.17 177.48 2a2q n LYS 181 N 0.27 2.22 -3.92 8.23 4.76 -1.26 -2.94 118.16 125.53 2a2q n LYS 181 Ca -0.02 0.81 -0.28 0.00 -2.87 0.00 0.00 58.31 55.94 2a2q n LYS 181 Cb 0.52 -2.61 0.01 0.00 -1.84 0.00 0.00 35.03 31.11 2a2q n LYS 181 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2a2q n GLY 182 N 3.84 -0.37 0.40 0.72 0.00 -1.26 -4.93 105.19 103.58 2a2q n GLY 182 Ca 0.19 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.42 2a2q n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a2q n GLU 183 N -4.47 0.42 -2.44 1.61 -0.58 -1.15 -5.09 120.64 108.94 2a2q n GLU 183 Ca -0.12 -1.11 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 2a2q n GLU 183 Cb 0.60 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 2a2q n GLU 183 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2a2q n ASN 184 N 0.55 -4.89 -4.99 1.62 3.02 -1.26 -4.99 115.26 104.32 2a2q n ASN 184 Ca 0.06 0.85 -0.19 0.00 -0.03 0.00 0.00 54.58 55.27 2a2q n ASN 184 Cb 0.25 -1.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.08 2a2q n ASN 184 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2a2q s TYR 185 N 0.00 3.14 -0.02 3.10 1.51 -1.26 -4.79 117.35 119.02 2a2q s TYR 185 Ca 0.00 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 55.93 2a2q s TYR 185 Cb 0.00 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 2a2q s TYR 185 CO 0.00 0.03 -0.23 0.00 -1.11 0.00 0.00 175.55 174.24 2a2q s PHE 187 N -0.65 1.37 -0.20 0.00 0.08 0.63 -1.68 117.98 117.53 2a2q s PHE 187 Ca 0.10 -0.72 -0.20 0.00 0.12 0.00 0.00 56.93 56.24 2a2q s PHE 187 Cb -0.10 -0.68 0.05 0.00 -0.57 0.00 0.00 43.02 41.72 2a2q s PHE 187 CO -0.00 0.15 0.56 0.45 -0.10 0.00 0.00 175.22 176.27 2a2q s SER 188 N -3.20 -0.57 0.19 1.36 0.15 -0.38 -1.20 113.70 110.05 2a2q s SER 188 Ca 0.18 1.09 0.09 0.00 0.70 0.00 0.00 55.95 58.01 2a2q s SER 188 Cb 0.02 1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 2a2q s SER 188 CO 0.02 -0.21 -0.18 0.68 1.20 0.00 0.00 173.24 174.75 2a2q s VAL 189 N 0.22 1.93 0.03 4.45 -7.23 -1.26 -0.61 120.40 117.93 2a2q s VAL 189 Ca -0.01 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 2a2q s VAL 189 Cb -0.04 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2a2q s VAL 189 CO 0.01 -0.38 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.23 2a2q s GLN 190 N -3.09 0.66 0.04 4.82 -0.21 -0.39 -0.45 119.66 121.04 2a2q s GLN 190 Ca 0.20 -0.58 -0.22 0.00 0.02 0.00 0.00 55.36 54.78 2a2q s GLN 190 Cb -0.05 -0.58 -0.06 0.00 1.00 0.00 0.00 33.01 33.33 2a2q s GLN 190 CO 0.08 0.14 0.65 0.00 -2.12 0.00 0.00 175.29 174.04 2a2q s ALA 191 N -0.79 3.47 -0.01 6.09 0.00 -1.26 -0.96 121.76 128.30 2a2q s ALA 191 Ca -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 2a2q s ALA 191 Cb -0.07 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2a2q s ALA 191 CO 0.00 0.19 0.02 0.08 0.00 0.00 0.00 175.76 176.05 2a2q s VAL 192 N -0.39 -0.00 -0.48 0.00 1.01 -0.08 -1.33 120.40 119.12 2a2q s VAL 192 Ca 0.33 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2a2q s VAL 192 Cb -0.19 -0.03 0.12 0.00 0.00 0.00 0.00 36.38 36.28 2a2q s VAL 192 CO 0.20 0.00 0.22 -0.63 0.00 0.00 0.00 175.10 174.89 2a2q s ILE 193 N 0.04 2.67 0.42 2.22 -1.09 -0.19 -0.91 121.20 124.35 2a2q s ILE 193 Ca -0.00 -2.97 0.16 0.00 -2.23 0.00 0.00 60.65 55.60 2a2q s ILE 193 Cb -0.00 -2.86 0.36 0.00 -1.58 0.00 0.00 42.46 38.37 2a2q s ILE 193 CO -0.00 -0.75 1.89 -0.65 -1.23 0.00 0.00 174.94 174.20 2a2q h PRO 194 N 6.91 0.43 0.00 2.79 0.11 -1.83 -2.57 132.00 137.84 2a2q h PRO 194 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2a2q h PRO 194 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2a2q h PRO 194 CO 0.65 0.28 0.00 0.66 -0.21 0.00 0.00 178.00 179.38 2a2q h SER 195 N 0.44 0.00 -4.08 -2.05 4.64 -1.94 -3.44 113.55 107.11 2a2q h SER 195 Ca 0.41 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.25 2a2q h SER 195 Cb 0.95 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.09 2a2q h SER 195 CO -0.15 0.00 0.41 -0.13 -0.87 0.00 0.00 176.83 176.09 2a2q s ARG 196 N -3.75 3.56 -0.13 4.77 0.52 -0.97 -4.95 118.95 117.99 2a2q s ARG 196 Ca -0.00 1.49 0.19 0.00 -0.52 0.00 0.00 55.73 56.89 2a2q s ARG 196 Cb 0.10 -2.05 -0.26 0.00 0.52 0.00 0.00 34.95 33.26 2a2q s ARG 196 CO 0.49 -0.66 0.25 2.41 0.02 0.00 0.00 175.30 177.81 2a2q n THR 197 N -1.16 1.02 -4.11 0.02 -1.04 -1.26 -4.79 114.28 102.96 2a2q n THR 197 Ca 0.10 -0.75 -0.14 0.00 -2.04 0.00 0.00 64.05 61.22 2a2q n THR 197 Cb 0.52 -0.38 -0.12 0.00 -1.82 0.00 0.00 70.33 68.52 2a2q n THR 197 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2a2q s VAL 198 N -2.79 0.56 -1.46 12.58 1.01 -1.26 -4.80 120.40 124.23 2a2q s VAL 198 Ca -0.09 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 2a2q s VAL 198 Cb 0.08 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2a2q s VAL 198 CO 0.85 -0.22 0.87 -3.20 0.00 0.00 0.00 175.10 173.39 2a2q n ASN 199 N 1.87 -5.31 0.25 3.32 4.05 -1.26 -4.88 115.26 113.30 2a2q n ASN 199 Ca -0.20 -0.55 0.10 0.00 0.45 0.00 0.00 54.58 54.38 2a2q n ASN 199 Cb 0.56 -4.25 0.66 0.00 1.23 0.00 0.00 39.78 37.97 2a2q n ASN 199 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2a2q h ARG 200 N -1.89 0.00 -4.45 1.20 3.08 -1.86 -3.44 114.38 107.01 2a2q h ARG 200 Ca -0.54 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.33 2a2q h ARG 200 Cb 1.36 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.26 2a2q h ARG 200 CO 0.60 0.14 -0.68 -1.59 -1.07 0.00 0.00 179.97 177.37 2a2q s LYS 201 N -4.32 0.75 0.93 0.04 -2.85 -1.26 -1.02 119.74 112.00 2a2q s LYS 201 Ca -0.03 -1.30 -0.14 0.00 -1.00 0.00 0.00 55.97 53.50 2a2q s LYS 201 Cb 0.14 0.02 0.21 0.00 -2.06 0.00 0.00 37.83 36.14 2a2q s LYS 201 CO 0.62 -0.08 1.27 -1.13 0.10 0.00 0.00 175.35 176.12 2a2q n SER 202 N 0.02 0.30 -4.86 0.03 3.41 -0.45 -4.66 113.62 107.41 2a2q n SER 202 Ca -0.12 -1.58 -0.31 0.00 -0.26 0.00 0.00 58.87 56.59 2a2q n SER 202 Cb 0.61 -0.95 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 2a2q n SER 202 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2a2q s THR 203 N -3.75 4.65 0.48 6.66 -4.23 -1.26 -4.74 115.64 113.44 2a2q s THR 203 Ca 0.73 0.96 -0.23 0.00 -1.18 0.00 0.00 61.69 61.97 2a2q s THR 203 Cb -0.02 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.96 2a2q s THR 203 CO 0.51 -0.85 1.22 -1.81 -0.54 0.00 0.00 174.62 173.15 2a2q s ASP 204 N -3.56 5.96 0.84 3.99 1.01 -1.26 -4.32 116.67 119.34 2a2q s ASP 204 Ca 0.56 2.44 -0.12 0.00 0.71 0.00 0.00 52.55 56.14 2a2q s ASP 204 Cb -0.10 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.31 2a2q s ASP 204 CO 0.41 -1.07 1.10 -0.94 0.21 0.00 0.00 175.17 174.88 2a2q s SER 205 N -1.22 4.05 0.63 0.27 1.04 0.41 -4.81 113.70 114.06 2a2q s SER 205 Ca 0.65 1.30 -0.18 0.00 0.48 0.00 0.00 55.95 58.20 2a2q s SER 205 Cb -0.32 -2.00 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 2a2q s SER 205 CO 0.39 -2.25 1.24 -2.84 0.98 0.00 0.00 173.24 170.76 2a2q s PRO 206 N -5.11 2.73 0.14 4.02 0.02 -1.26 -4.56 135.00 130.97 2a2q s PRO 206 Ca 0.62 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 63.25 2a2q s PRO 206 Cb -0.15 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 2a2q s PRO 206 CO 0.55 -1.42 1.02 0.08 -0.33 0.00 0.00 177.00 176.90 2a2q s VAL 207 N -1.56 4.22 -0.08 3.83 1.01 -1.26 -4.69 120.40 121.86 2a2q s VAL 207 Ca 0.79 1.87 0.02 0.00 0.00 0.00 0.00 61.98 64.66 2a2q s VAL 207 Cb -0.33 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.87 2a2q s VAL 207 CO 0.37 0.30 -0.14 -1.61 0.00 0.00 0.00 175.10 174.01 2a2q s GLU 208 N -0.14 2.02 0.26 2.72 0.41 -0.34 -4.97 118.70 118.67 2a2q s GLU 208 Ca 0.48 -0.51 0.12 0.00 -0.41 0.00 0.00 54.97 54.65 2a2q s GLU 208 Cb -0.26 -1.67 -0.05 0.00 -1.78 0.00 0.00 34.13 30.37 2a2q s GLU 208 CO 0.32 0.01 -0.19 0.00 -0.49 0.00 0.00 175.26 174.91