#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 n GLU 9 N 0.00 0.00 -4.00 -0.52 4.71 -1.26 -4.97 120.64 114.59 3m85 n GLU 9 Ca 0.00 0.47 -0.10 0.00 -0.01 0.00 0.00 57.16 57.52 3m85 n GLU 9 Cb 0.00 -1.05 -0.11 0.00 -1.01 0.00 0.00 31.44 29.26 3m85 n GLU 9 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3m85 s LYS 10 N -1.27 0.37 -0.12 3.49 -0.14 -1.26 -5.06 119.74 115.75 3m85 s LYS 10 Ca 0.00 -0.66 0.20 0.00 -1.36 0.00 0.00 55.97 54.15 3m85 s LYS 10 Cb 0.00 0.01 -0.28 0.00 -1.68 0.00 0.00 37.83 35.88 3m85 s LYS 10 CO 0.00 -0.03 0.28 1.28 -0.76 0.00 0.00 175.35 176.12 3m85 n LEU 11 N 1.54 0.04 -4.19 3.17 4.77 -1.26 -4.85 117.00 116.21 3m85 n LEU 11 Ca -0.24 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.46 3m85 n LEU 11 Cb 0.55 0.27 -0.17 0.00 -2.33 0.00 0.00 43.42 41.74 3m85 n LEU 11 CO 0.20 0.27 -0.54 -0.63 -1.33 0.00 0.00 177.39 175.36 3m85 s ILE 12 N -2.95 1.81 -0.07 -0.08 1.09 -1.26 -3.69 121.20 116.05 3m85 s ILE 12 Ca -0.09 -0.90 -0.03 0.00 -1.10 0.00 0.00 60.65 58.53 3m85 s ILE 12 Cb 0.10 -1.56 0.04 0.00 -1.06 0.00 0.00 42.46 39.98 3m85 s ILE 12 CO 0.86 0.51 0.15 0.54 -0.10 0.00 0.00 174.94 176.90 3m85 s VAL 13 N 0.17 -0.15 -1.38 2.92 0.11 -0.77 -4.85 120.40 116.46 3m85 s VAL 13 Ca -0.11 0.26 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 3m85 s VAL 13 Cb -0.15 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.46 3m85 s VAL 13 CO 0.05 0.11 1.11 0.47 -3.33 0.00 0.00 175.10 173.51 3m85 n ASP 14 N 4.70 -5.41 -0.20 3.54 8.00 -1.26 -2.62 116.55 123.30 3m85 n ASP 14 Ca -0.17 -0.61 -0.03 0.00 0.71 0.00 0.00 54.79 54.70 3m85 n ASP 14 Cb 0.51 -4.77 -0.01 0.00 -0.02 0.00 0.00 41.12 36.82 3m85 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m85 n GLY 15 N -1.84 0.55 3.08 0.44 0.00 -1.26 -5.01 105.19 101.15 3m85 n GLY 15 Ca -0.03 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 3m85 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m85 s LEU 16 N -0.60 2.19 0.50 0.99 1.43 -1.08 -4.58 118.68 117.53 3m85 s LEU 16 Ca 0.00 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3m85 s LEU 16 Cb 0.00 -0.34 -0.00 0.00 0.03 0.00 0.00 46.19 45.88 3m85 s LEU 16 CO 0.00 -0.08 0.75 -0.13 0.23 0.00 0.00 176.35 177.13 3m85 s ARG 17 N -1.22 3.04 0.59 1.70 0.52 -0.83 -1.84 118.95 120.90 3m85 s ARG 17 Ca -0.04 -0.29 0.28 0.00 -0.52 0.00 0.00 55.73 55.17 3m85 s ARG 17 Cb -0.08 -2.45 1.59 0.00 0.52 0.00 0.00 34.95 34.53 3m85 s ARG 17 CO 0.01 -0.41 2.04 -0.07 0.02 0.00 0.00 175.30 176.88 3m85 h LEU 18 N 0.20 0.00 -1.86 2.53 4.07 -1.90 1.89 115.31 120.24 3m85 h LEU 18 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3m85 h LEU 18 Cb 1.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.99 3m85 h LEU 18 CO 0.59 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.05 3m85 n ASP 19 N -3.80 2.80 0.00 -0.43 5.75 -1.26 -4.95 116.55 114.67 3m85 n ASP 19 Ca 0.04 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 3m85 n ASP 19 Cb 0.43 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3m85 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m85 n GLY 20 N 1.36 0.72 3.85 6.12 0.00 0.64 -5.06 105.19 112.82 3m85 n GLY 20 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3m85 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3m85 s ARG 21 N -0.62 3.99 0.78 1.61 1.70 -1.26 -4.68 118.95 120.47 3m85 s ARG 21 Ca 0.00 0.83 -0.12 0.00 -0.47 0.00 0.00 55.73 55.97 3m85 s ARG 21 Cb 0.00 -2.26 0.06 0.00 -0.57 0.00 0.00 34.95 32.18 3m85 s ARG 21 CO 0.00 -0.08 1.15 0.15 -1.08 0.00 0.00 175.30 175.44 3m85 s LYS 22 N -3.60 2.21 0.63 3.89 1.02 -1.26 -1.96 119.74 120.67 3m85 s LYS 22 Ca 0.57 0.25 0.37 0.00 0.02 0.00 0.00 55.97 57.17 3m85 s LYS 22 Cb -0.10 -1.97 2.08 0.00 -0.52 0.00 0.00 37.83 37.32 3m85 s LYS 22 CO 0.24 -1.45 2.27 0.27 -0.92 0.00 0.00 175.35 175.76 3m85 h PHE 23 N -0.95 0.00 -0.26 3.18 -0.00 -1.89 -2.44 116.94 114.57 3m85 h PHE 23 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.48 3m85 h PHE 23 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.24 3m85 h PHE 23 CO 0.37 0.00 -0.00 -0.40 -0.00 0.00 0.00 178.31 178.28 3m85 n ASP 24 N -3.40 3.60 -4.70 -0.68 3.85 -1.26 -0.35 116.55 113.61 3m85 n ASP 24 Ca -0.02 -3.13 -0.35 0.00 -0.71 0.00 0.00 54.79 50.57 3m85 n ASP 24 Cb 0.13 -0.55 -0.09 0.00 -1.35 0.00 0.00 41.12 39.26 3m85 n ASP 24 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3m85 s GLU 25 N -2.90 3.49 0.63 0.11 2.12 -0.92 -4.91 118.70 116.32 3m85 s GLU 25 Ca 0.42 -0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.30 3m85 s GLU 25 Cb 0.35 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 3m85 s GLU 25 CO 0.07 0.54 1.04 -0.51 -0.54 0.00 0.00 175.26 175.86 3m85 s LEU 26 N -0.39 3.30 0.70 2.70 1.43 -1.26 -4.71 118.68 120.45 3m85 s LEU 26 Ca 0.09 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 3m85 s LEU 26 Cb -0.12 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.62 3m85 s LEU 26 CO 0.02 -1.11 1.07 -0.13 0.23 0.00 0.00 176.35 176.43 3m85 s ARG 27 N -4.76 2.88 0.14 1.70 0.52 -1.26 -4.99 118.95 113.18 3m85 s ARG 27 Ca 0.58 0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 56.24 3m85 s ARG 27 Cb -0.13 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.25 3m85 s ARG 27 CO 0.48 -1.09 1.52 -2.14 0.02 0.00 0.00 175.30 174.09 3m85 s PRO 28 N -5.15 4.25 -0.08 3.54 0.02 -1.26 -4.71 135.00 131.61 3m85 s PRO 28 Ca 0.58 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.91 3m85 s PRO 28 Cb -0.13 -3.22 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 3m85 s PRO 28 CO 0.54 -0.56 -0.24 0.42 -0.33 0.00 0.00 177.00 176.83 3m85 s ILE 29 N 1.24 2.01 -0.04 2.83 1.01 -1.26 -2.14 121.20 124.86 3m85 s ILE 29 Ca 0.68 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 60.38 3m85 s ILE 29 Cb -0.41 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3m85 s ILE 29 CO 0.31 0.55 -0.24 -0.54 0.00 0.00 0.00 174.94 175.02 3m85 s LYS 30 N 0.09 2.26 -0.08 2.79 1.02 -0.27 -4.98 119.74 120.57 3m85 s LYS 30 Ca -0.11 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.01 3m85 s LYS 30 Cb -0.16 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3m85 s LYS 30 CO 0.06 0.43 -0.06 0.42 -0.92 0.00 0.00 175.35 175.28 3m85 s ILE 31 N -0.32 0.81 -0.13 2.17 1.01 -1.26 -1.29 121.20 122.19 3m85 s ILE 31 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3m85 s ILE 31 Cb -0.12 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.53 3m85 s ILE 31 CO 0.02 0.31 -0.15 -0.70 0.00 0.00 0.00 174.94 174.42 3m85 s GLU 32 N 1.41 2.29 0.59 2.79 2.12 -0.26 -4.73 118.70 122.92 3m85 s GLU 32 Ca -0.02 -0.57 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 3m85 s GLU 32 Cb -0.13 -2.02 0.02 0.00 0.26 0.00 0.00 34.13 32.26 3m85 s GLU 32 CO -0.04 -0.15 0.89 0.00 -0.54 0.00 0.00 175.26 175.42 3m85 s ALA 33 N 1.23 3.37 -1.09 6.30 0.00 -1.26 -0.35 121.76 129.96 3m85 s ALA 33 Ca -0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 3m85 s ALA 33 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3m85 s ALA 33 CO -0.06 -0.85 0.85 0.45 0.00 0.00 0.00 175.76 176.15 3m85 n SER 34 N -2.58 -5.98 -0.01 0.00 2.88 -0.67 -4.89 113.62 102.37 3m85 n SER 34 Ca 0.05 -0.86 0.03 0.00 -1.33 0.00 0.00 58.87 56.76 3m85 n SER 34 Cb 0.58 -4.23 -0.08 0.00 -0.75 0.00 0.00 64.21 59.73 3m85 n SER 34 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3m85 n VAL 35 N -3.71 0.16 -4.05 2.46 0.31 -1.26 -4.97 118.33 107.27 3m85 n VAL 35 Ca -0.08 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 63.67 3m85 n VAL 35 Cb 0.60 0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.49 3m85 n VAL 35 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3m85 s LEU 36 N -3.95 3.81 -0.13 7.52 1.43 -1.26 -5.04 118.68 121.06 3m85 s LEU 36 Ca -0.04 -0.02 0.18 0.00 -1.03 0.00 0.00 54.13 53.22 3m85 s LEU 36 Cb 0.06 -2.49 -0.25 0.00 0.03 0.00 0.00 46.19 43.54 3m85 s LEU 36 CO 0.42 0.16 0.28 1.17 0.23 0.00 0.00 176.35 178.61 3m85 n LYS 37 N 0.36 0.67 -0.01 1.70 4.81 -1.26 -4.50 118.16 119.94 3m85 n LYS 37 Ca -0.08 0.04 -0.08 0.00 -0.87 0.00 0.00 58.31 57.31 3m85 n LYS 37 Cb 0.52 -1.59 -0.13 0.00 0.02 0.00 0.00 35.03 33.85 3m85 n LYS 37 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3m85 h ARG 38 N 0.00 0.00 -7.30 1.64 2.47 -2.00 -3.47 114.38 105.73 3m85 h ARG 38 Ca -0.41 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.83 3m85 h ARG 38 Cb 2.00 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 30.49 3m85 h ARG 38 CO 0.04 0.56 0.21 0.00 0.56 0.00 0.00 179.97 181.33 3m85 s ALA 39 N -2.63 1.22 -0.12 0.04 0.00 -1.26 -4.95 121.76 114.06 3m85 s ALA 39 Ca -0.04 0.01 0.16 0.00 0.00 0.00 0.00 51.96 52.09 3m85 s ALA 39 Cb 0.08 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3m85 s ALA 39 CO 0.82 -2.64 1.02 -0.44 0.00 0.00 0.00 175.76 174.52 3m85 h ASP 40 N -1.76 0.00 -5.01 0.00 3.32 -1.63 -3.47 116.42 107.87 3m85 h ASP 40 Ca -0.51 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 3m85 h ASP 40 Cb 1.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.66 3m85 h ASP 40 CO 0.52 0.59 -0.05 -0.83 -1.72 0.00 0.00 179.24 177.75 3m85 s GLY 41 N -4.70 -0.34 0.29 2.75 0.00 -1.14 -3.92 107.32 100.25 3m85 s GLY 41 Ca -0.01 0.58 -0.19 0.00 0.00 0.00 0.00 44.72 45.11 3m85 s GLY 41 CO 0.79 0.31 0.69 -1.35 0.00 0.00 0.00 173.10 173.54 3m85 s SER 42 N -1.68 -0.19 -0.28 1.64 1.04 -1.26 -0.02 113.70 112.96 3m85 s SER 42 Ca -0.08 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 55.41 3m85 s SER 42 Cb -0.02 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.91 3m85 s SER 42 CO 0.02 -1.36 0.73 0.00 0.98 0.00 0.00 173.24 173.61 3m85 s TYR 44 N 1.05 3.47 -0.13 0.00 5.04 0.53 -0.01 117.35 127.30 3m85 s TYR 44 Ca -0.05 0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 54.88 3m85 s TYR 44 Cb -0.05 -1.84 0.05 0.00 0.35 0.00 0.00 41.96 40.47 3m85 s TYR 44 CO -0.11 0.64 0.30 -1.17 -1.34 0.00 0.00 175.55 173.88 3m85 s LEU 45 N -1.50 0.23 -0.07 6.97 1.98 -0.25 -1.10 118.68 124.95 3m85 s LEU 45 Ca 0.21 0.64 0.04 0.00 -2.89 0.00 0.00 54.13 52.13 3m85 s LEU 45 Cb -0.12 0.93 -0.02 0.00 0.66 0.00 0.00 46.19 47.64 3m85 s LEU 45 CO 0.11 -0.18 -0.19 -1.61 -1.89 0.00 0.00 176.35 172.60 3m85 s GLU 46 N 1.33 2.67 -0.22 1.98 2.02 -0.42 -0.62 118.70 125.45 3m85 s GLU 46 Ca -0.09 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 3m85 s GLU 46 Cb -0.10 -2.33 0.11 0.00 0.10 0.00 0.00 34.13 31.91 3m85 s GLU 46 CO -0.10 0.45 0.28 1.41 0.02 0.00 0.00 175.26 177.32 3m85 s MET 47 N -0.29 0.25 6.60 1.61 1.75 -0.83 -1.11 119.30 127.29 3m85 s MET 47 Ca 0.01 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.78 3m85 s MET 47 Cb -0.13 -0.92 0.00 0.00 2.84 0.00 0.00 34.83 36.62 3m85 s MET 47 CO 0.03 -0.66 0.00 0.41 -0.65 0.00 0.00 175.02 174.15 3m85 n GLY 48 N 5.34 3.24 1.08 2.11 0.00 -0.91 -0.53 105.19 115.52 3m85 n GLY 48 Ca -0.05 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.79 3m85 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m85 n LYS 49 N 14.00 2.71 -2.94 1.61 5.02 -1.26 -4.88 118.16 132.42 3m85 n LYS 49 Ca 0.00 -1.52 -0.40 0.00 -2.02 0.00 0.00 58.31 54.38 3m85 n LYS 49 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 3m85 n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m85 s ASN 50 N -0.52 7.39 -0.24 4.39 0.01 0.30 -4.09 114.94 122.18 3m85 s ASN 50 Ca 0.27 1.65 -0.01 0.00 -0.71 0.00 0.00 52.86 54.06 3m85 s ASN 50 Cb 0.19 -2.51 0.07 0.00 0.41 0.00 0.00 41.25 39.41 3m85 s ASN 50 CO 0.10 0.15 0.02 -0.54 -1.51 0.00 0.00 177.10 175.32 3m85 s LYS 51 N -0.87 1.06 0.15 -0.60 1.02 0.15 -1.96 119.74 118.70 3m85 s LYS 51 Ca 0.37 -0.86 0.09 0.00 0.02 0.00 0.00 55.97 55.59 3m85 s LYS 51 Cb -0.23 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3m85 s LYS 51 CO 0.26 -0.72 -0.20 0.14 -0.92 0.00 0.00 175.35 173.91 3m85 s VAL 52 N 1.58 1.89 -0.03 3.17 -7.23 0.21 0.04 120.40 120.02 3m85 s VAL 52 Ca 0.00 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 3m85 s VAL 52 Cb -0.18 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.96 3m85 s VAL 52 CO -0.11 -0.22 -0.02 -0.51 -0.31 0.00 0.00 175.10 173.93 3m85 s ILE 53 N -1.76 0.34 -0.02 -0.62 -1.16 -0.65 -1.09 121.20 116.23 3m85 s ILE 53 Ca 0.14 -0.03 0.05 0.00 -0.51 0.00 0.00 60.65 60.30 3m85 s ILE 53 Cb -0.07 -0.39 -0.03 0.00 0.61 0.00 0.00 42.46 42.58 3m85 s ILE 53 CO 0.06 0.17 -0.15 0.00 -2.81 0.00 0.00 174.94 172.22 3m85 s ALA 54 N 0.86 2.65 -0.02 1.50 0.00 0.98 -1.86 121.76 125.88 3m85 s ALA 54 Ca -0.10 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.87 3m85 s ALA 54 Cb -0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 3m85 s ALA 54 CO -0.01 0.56 -0.18 0.00 0.00 0.00 0.00 175.76 176.14 3m85 s ALA 55 N -0.80 1.49 -0.09 0.00 0.00 0.83 -1.72 121.76 121.46 3m85 s ALA 55 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.35 3m85 s ALA 55 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 3m85 s ALA 55 CO 0.02 0.35 -0.13 0.08 0.00 0.00 0.00 175.76 176.08 3m85 s VAL 56 N -0.36 3.10 -0.11 0.00 1.01 0.97 0.09 120.40 125.11 3m85 s VAL 56 Ca 0.05 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3m85 s VAL 56 Cb -0.07 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.06 3m85 s VAL 56 CO -0.00 0.56 -0.14 -0.36 0.00 0.00 0.00 175.10 175.15 3m85 s PHE 57 N -0.19 1.91 -1.69 5.22 0.40 0.12 -1.56 117.98 122.19 3m85 s PHE 57 Ca 0.00 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.43 3m85 s PHE 57 Cb -0.13 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3m85 s PHE 57 CO 0.03 -0.47 0.00 0.41 0.70 0.00 0.00 175.22 175.89 3m85 n GLY 58 N 4.25 0.80 3.73 4.36 0.00 -1.26 -0.59 105.19 116.48 3m85 n GLY 58 Ca -0.19 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.22 3m85 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m85 s PRO 59 N -0.91 4.29 0.27 1.61 0.04 -1.26 -4.94 135.00 134.10 3m85 s PRO 59 Ca 0.00 2.22 0.08 0.00 0.04 0.00 0.00 61.00 63.34 3m85 s PRO 59 Cb 0.00 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3m85 s PRO 59 CO 0.00 -0.44 -0.11 -0.98 0.04 0.00 0.00 177.00 175.51 3m85 s ARG 60 N 0.38 1.56 0.96 4.56 1.70 -0.89 -4.95 118.95 122.27 3m85 s ARG 60 Ca 0.63 -1.76 -0.11 0.00 -0.47 0.00 0.00 55.73 54.02 3m85 s ARG 60 Cb -0.40 -1.34 0.15 0.00 -0.57 0.00 0.00 34.95 32.78 3m85 s ARG 60 CO 0.36 0.15 0.96 -0.85 -1.08 0.00 0.00 175.30 174.84 3m85 n GLU 61 N -0.57 -0.72 -3.83 3.89 0.00 -1.26 -2.32 120.64 115.82 3m85 n GLU 61 Ca -0.06 -0.15 -0.20 0.00 0.00 0.00 0.00 57.16 56.74 3m85 n GLU 61 Cb 0.62 -2.24 -0.17 0.00 0.00 0.00 0.00 31.44 29.65 3m85 n GLU 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3m85 s VAL 62 N -2.55 0.24 0.03 3.84 0.11 -1.26 -4.62 120.40 116.18 3m85 s VAL 62 Ca 0.65 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.87 3m85 s VAL 62 Cb -0.23 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3m85 s VAL 62 CO 0.61 0.21 -0.07 -1.38 -3.33 0.00 0.00 175.10 171.14 3m85 s HIS 63 N 1.63 0.59 0.25 1.54 -3.43 -1.26 -4.08 115.29 110.53 3m85 s HIS 63 Ca -0.01 -0.36 -0.31 0.00 -0.80 0.00 0.00 55.06 53.58 3m85 s HIS 63 Cb -0.13 -0.36 -0.12 0.00 -1.43 0.00 0.00 32.58 30.54 3m85 s HIS 63 CO -0.03 -0.06 1.66 -2.30 -2.00 0.00 0.00 174.74 172.00 3m85 n PRO 64 N 1.96 2.72 0.12 -0.38 -0.02 -1.26 -4.99 135.00 133.16 3m85 n PRO 64 Ca -0.19 0.97 0.03 0.00 -2.02 0.00 0.00 63.50 62.29 3m85 n PRO 64 Cb 0.56 -2.79 0.17 0.00 -0.02 0.00 0.00 33.50 31.42 3m85 n PRO 64 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3m85 n GLU 65 N 3.03 0.05 0.03 -0.52 4.71 -1.26 0.24 120.64 126.93 3m85 n GLU 65 Ca 0.12 0.45 -0.11 0.00 -0.01 0.00 0.00 57.16 57.61 3m85 n GLU 65 Cb 0.36 -2.08 -0.13 0.00 -1.01 0.00 0.00 31.44 28.57 3m85 n GLU 65 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3m85 h HIS 66 N 0.00 0.15 0.00 -0.32 3.86 -1.96 -3.34 115.15 113.53 3m85 h HIS 66 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3m85 h HIS 66 Cb 0.85 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3m85 h HIS 66 CO 0.00 1.13 0.00 -0.11 0.86 0.00 0.00 177.93 179.81 3m85 n LEU 67 N -3.29 0.00 -4.81 2.43 0.00 0.14 -4.83 117.00 106.64 3m85 n LEU 67 Ca -0.11 0.19 -0.30 0.00 0.00 0.00 0.00 56.01 55.80 3m85 n LEU 67 Cb 1.01 -0.19 0.10 0.00 0.00 0.00 0.00 43.42 44.34 3m85 n LEU 67 CO 0.47 -0.01 0.72 0.00 0.00 0.00 0.00 177.39 178.57 3m85 s GLN 68 N -2.38 1.84 -0.18 1.96 -2.07 -1.25 -4.97 119.66 112.62 3m85 s GLN 68 Ca 0.33 0.48 0.01 0.00 -1.82 0.00 0.00 55.36 54.36 3m85 s GLN 68 Cb 0.20 -1.90 0.02 0.00 -1.09 0.00 0.00 33.01 30.24 3m85 s GLN 68 CO 0.41 -1.75 -0.17 0.34 -1.32 0.00 0.00 175.29 172.79 3m85 s ASP 69 N -4.03 3.08 0.54 12.60 -1.08 -1.26 -5.00 116.67 121.52 3m85 s ASP 69 Ca 0.62 -0.65 0.25 0.00 -0.52 0.00 0.00 52.55 52.25 3m85 s ASP 69 Cb -0.14 -1.38 1.42 0.00 -1.46 0.00 0.00 42.92 41.36 3m85 s ASP 69 CO 0.53 -0.03 2.01 -0.65 0.52 0.00 0.00 175.17 177.55 3m85 h PRO 70 N 7.97 0.00 0.00 4.34 0.11 -1.97 -0.92 132.00 141.52 3m85 h PRO 70 Ca -0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 3m85 h PRO 70 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3m85 h PRO 70 CO 0.59 0.00 -1.56 -1.13 -0.21 0.00 0.00 178.00 175.69 3m85 n SER 71 N -4.29 2.50 -3.91 -2.05 3.41 -1.26 -4.34 113.62 103.68 3m85 n SER 71 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 3m85 n SER 71 Cb 0.56 1.26 -0.07 0.00 -0.26 0.00 0.00 64.21 65.70 3m85 n SER 71 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3m85 s LYS 72 N -2.60 1.04 0.52 4.33 -2.85 -1.15 -4.50 119.74 114.52 3m85 s LYS 72 Ca -0.04 -1.08 -0.20 0.00 -1.00 0.00 0.00 55.97 53.65 3m85 s LYS 72 Cb 0.06 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 36.13 3m85 s LYS 72 CO 0.44 -0.36 1.11 0.00 0.10 0.00 0.00 175.35 176.63 3m85 s ALA 73 N -3.92 2.77 0.22 0.59 0.00 0.20 -3.52 121.76 118.10 3m85 s ALA 73 Ca 0.12 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.89 3m85 s ALA 73 Cb 0.04 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3m85 s ALA 73 CO -0.04 -0.62 0.36 0.96 0.00 0.00 0.00 175.76 176.41 3m85 s ILE 74 N -1.81 5.26 -0.06 0.00 -4.36 0.16 -4.89 121.20 115.49 3m85 s ILE 74 Ca 0.70 -0.78 0.02 0.00 -0.26 0.00 0.00 60.65 60.33 3m85 s ILE 74 Cb -0.22 -3.81 0.01 0.00 1.25 0.00 0.00 42.46 39.69 3m85 s ILE 74 CO 0.26 -0.26 -0.12 -0.63 0.24 0.00 0.00 174.94 174.42 3m85 s ILE 75 N -1.93 1.11 0.14 8.37 1.01 -1.26 -1.28 121.20 127.37 3m85 s ILE 75 Ca 0.35 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.64 3m85 s ILE 75 Cb -0.10 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3m85 s ILE 75 CO 0.30 0.35 -0.23 -0.13 0.00 0.00 0.00 174.94 175.23 3m85 s ARG 76 N 0.68 1.32 -0.22 2.79 0.52 -1.02 -4.98 118.95 118.04 3m85 s ARG 76 Ca -0.14 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 53.68 3m85 s ARG 76 Cb -0.16 -1.62 0.11 0.00 0.52 0.00 0.00 34.95 33.81 3m85 s ARG 76 CO 0.03 0.36 0.38 -0.47 0.02 0.00 0.00 175.30 175.63 3m85 s TYR 77 N -1.42 -0.78 -0.26 -0.53 5.04 -1.26 -1.75 117.35 116.38 3m85 s TYR 77 Ca 0.14 1.08 -0.04 0.00 -2.44 0.00 0.00 57.07 55.81 3m85 s TYR 77 Cb -0.09 0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.35 3m85 s TYR 77 CO 0.06 -0.61 -0.01 0.50 -1.34 0.00 0.00 175.55 174.16 3m85 s ARG 78 N 2.56 3.03 -0.23 4.97 3.52 -0.48 -4.70 118.95 127.62 3m85 s ARG 78 Ca 0.07 -0.86 -0.10 0.00 -0.13 0.00 0.00 55.73 54.71 3m85 s ARG 78 Cb -0.14 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3m85 s ARG 78 CO -0.14 -0.37 0.13 -0.47 -0.81 0.00 0.00 175.30 173.64 3m85 s TYR 79 N 1.42 3.29 -0.12 5.12 5.04 -1.26 -0.84 117.35 130.00 3m85 s TYR 79 Ca 0.02 0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.74 3m85 s TYR 79 Cb -0.16 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 39.97 3m85 s TYR 79 CO -0.02 0.06 0.30 1.21 -1.34 0.00 0.00 175.55 175.76 3m85 s ASN 80 N 0.94 -0.34 -0.20 4.32 2.47 -0.12 -4.84 114.94 117.16 3m85 s ASN 80 Ca 0.07 0.64 -0.19 0.00 0.42 0.00 0.00 52.86 53.80 3m85 s ASN 80 Cb -0.13 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 40.18 3m85 s ASN 80 CO 0.03 -0.16 0.55 -0.04 -3.72 0.00 0.00 177.10 173.76 3m85 s MET 81 N 1.14 4.19 0.24 0.43 -1.94 -1.26 -1.79 119.30 120.31 3m85 s MET 81 Ca -0.08 0.47 -0.30 0.00 -1.71 0.00 0.00 55.69 54.07 3m85 s MET 81 Cb -0.09 -3.57 -0.09 0.00 2.01 0.00 0.00 34.83 33.09 3m85 s MET 81 CO -0.08 -0.18 1.19 0.00 -0.01 0.00 0.00 175.02 175.93 3m85 s ALA 82 N 1.75 3.44 0.44 3.03 0.00 -0.86 -4.88 121.76 124.68 3m85 s ALA 82 Ca 0.25 1.00 0.27 0.00 0.00 0.00 0.00 51.96 53.48 3m85 s ALA 82 Cb -0.16 -3.40 1.34 0.00 0.00 0.00 0.00 23.12 20.90 3m85 s ALA 82 CO 0.10 -0.36 1.68 -1.35 0.00 0.00 0.00 175.76 175.83 3m85 h PRO 83 N 4.46 0.17 -0.00 0.00 0.11 -1.91 0.64 132.00 135.46 3m85 h PRO 83 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m85 h PRO 83 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m85 h PRO 83 CO 0.71 0.11 -0.12 1.97 -0.21 0.00 0.00 178.00 180.46 3m85 n PHE 84 N -4.62 0.00 0.18 0.65 -1.74 -1.26 -2.38 117.46 108.29 3m85 n PHE 84 Ca 0.33 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 57.26 3m85 n PHE 84 Cb 1.26 -0.19 0.33 0.00 1.52 0.00 0.00 39.48 42.41 3m85 n PHE 84 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 3m85 h SER 85 N 0.59 0.00 -1.20 5.98 4.64 0.34 -3.45 113.55 120.45 3m85 h SER 85 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3m85 h SER 85 Cb 0.37 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.50 3m85 h SER 85 CO 0.00 0.41 -0.07 0.68 -0.87 0.00 0.00 176.83 176.98 3m85 s VAL 86 N -3.77 2.26 0.18 0.95 -7.23 -1.26 -1.95 120.40 109.59 3m85 s VAL 86 Ca -0.01 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3m85 s VAL 86 Cb 0.12 -2.36 -0.13 0.00 0.56 0.00 0.00 36.38 34.57 3m85 s VAL 86 CO 0.70 0.00 1.42 -0.33 -0.31 0.00 0.00 175.10 176.58 3m85 h GLU 87 N 0.09 0.03 -4.22 4.82 3.07 -1.91 -3.41 114.58 113.03 3m85 h GLU 87 Ca -0.33 -0.03 -0.56 0.00 -0.50 0.00 0.00 59.36 57.95 3m85 h GLU 87 Cb 1.28 0.01 -0.38 0.00 -0.84 0.00 0.00 28.75 28.83 3m85 h GLU 87 CO 0.41 0.85 -0.80 -2.00 -1.40 0.00 0.00 179.01 176.08 3m85 s GLU 88 N -3.12 1.52 0.13 2.33 2.12 -1.26 -5.08 118.70 115.34 3m85 s GLU 88 Ca -0.00 -0.51 -0.24 0.00 0.36 0.00 0.00 54.97 54.58 3m85 s GLU 88 Cb 0.11 -1.98 -0.14 0.00 0.26 0.00 0.00 34.13 32.38 3m85 s GLU 88 CO 0.80 -0.40 0.51 -2.13 -0.54 0.00 0.00 175.26 173.49 3m85 n ARG 89 N 4.87 0.00 -4.14 4.30 0.63 -1.26 -4.93 116.66 116.13 3m85 n ARG 89 Ca -0.12 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.46 3m85 n ARG 89 Cb 0.48 -0.88 -0.12 0.00 0.45 0.00 0.00 32.46 32.39 3m85 n ARG 89 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3m85 s LYS 90 N -0.65 3.71 0.27 -0.14 2.20 -1.00 -5.07 119.74 119.06 3m85 s LYS 90 Ca 0.56 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 3m85 s LYS 90 Cb -0.80 -3.08 -0.14 0.00 -1.51 0.00 0.00 37.83 32.30 3m85 s LYS 90 CO 0.45 0.12 0.95 0.54 -0.36 0.00 0.00 175.35 177.04 3m85 n ARG 91 N 3.95 1.15 -1.26 4.03 1.74 -1.26 -4.21 116.66 120.79 3m85 n ARG 91 Ca -0.17 0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 57.01 3m85 n ARG 91 Cb 0.52 -1.73 0.09 0.00 -1.02 0.00 0.00 32.46 30.33 3m85 n ARG 91 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3m85 s PRO 92 N -1.44 2.23 0.00 5.56 0.02 -1.26 -4.89 135.00 135.22 3m85 s PRO 92 Ca 0.60 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3m85 s PRO 92 Cb -0.74 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 31.89 3m85 s PRO 92 CO 0.59 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.01 3m85 n GLY 93 N -1.22 2.44 3.62 0.52 0.00 -1.26 -5.05 105.19 104.25 3m85 n GLY 93 Ca 0.09 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3m85 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m85 n PRO 94 N 1.37 0.43 -4.21 1.61 -0.04 -1.26 -5.05 135.00 127.85 3m85 n PRO 94 Ca 0.00 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.52 3m85 n PRO 94 Cb 0.00 -2.24 -0.08 0.00 -0.04 0.00 0.00 33.50 31.13 3m85 n PRO 94 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 3m85 s ASP 95 N -1.72 0.85 0.27 3.54 3.84 -1.26 -5.01 116.67 117.17 3m85 s ASP 95 Ca 0.73 -1.53 -0.01 0.00 -0.00 0.00 0.00 52.55 51.75 3m85 s ASP 95 Cb -0.33 0.50 0.56 0.00 -1.38 0.00 0.00 42.92 42.27 3m85 s ASP 95 CO 0.51 -1.00 1.74 0.03 -0.00 0.00 0.00 175.17 176.44 3m85 h ARG 96 N 2.34 0.50 0.00 2.11 2.47 -2.00 -0.33 114.38 119.47 3m85 h ARG 96 Ca -0.30 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.32 3m85 h ARG 96 Cb 1.24 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 3m85 h ARG 96 CO 0.44 0.33 -0.32 -0.09 0.56 0.00 0.00 179.97 180.89 3m85 h ARG 97 N 0.52 0.00 0.16 0.04 2.43 -2.00 -2.56 114.38 112.97 3m85 h ARG 97 Ca 0.47 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.39 3m85 h ARG 97 Cb 0.75 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3m85 h ARG 97 CO -0.42 0.32 -1.17 0.77 -1.51 0.00 0.00 179.97 177.96 3m85 h SER 98 N 0.00 0.52 -0.63 -3.80 0.02 -1.47 -2.13 113.55 106.06 3m85 h SER 98 Ca -0.00 -0.92 0.12 0.00 -0.84 0.00 0.00 61.79 60.15 3m85 h SER 98 Cb 0.58 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.86 3m85 h SER 98 CO 0.04 1.54 0.15 0.40 -1.14 0.00 0.00 176.83 177.83 3m85 h ILE 99 N -0.24 0.63 0.52 3.27 1.08 -1.23 -0.31 117.51 121.24 3m85 h ILE 99 Ca -0.23 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 3m85 h ILE 99 Cb 1.80 0.32 0.01 0.00 -3.07 0.00 0.00 36.82 35.88 3m85 h ILE 99 CO 0.15 0.05 -0.25 -0.08 -0.69 0.00 0.00 178.15 177.33 3m85 h GLU 100 N 0.28 -0.68 -0.68 2.37 4.57 -1.49 -1.55 114.58 117.40 3m85 h GLU 100 Ca 0.34 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.64 3m85 h GLU 100 Cb 0.51 0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 3m85 h GLU 100 CO -0.41 -0.38 0.35 0.82 -1.18 0.00 0.00 179.01 178.20 3m85 h ILE 101 N -0.91 0.88 -0.49 2.32 2.04 -1.27 -0.43 117.51 119.65 3m85 h ILE 101 Ca -0.07 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3m85 h ILE 101 Cb 0.61 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3m85 h ILE 101 CO 0.12 0.11 0.18 0.28 0.00 0.00 0.00 178.15 178.84 3m85 h SER 102 N 0.61 0.20 0.39 1.72 0.02 -0.98 -0.37 113.55 115.14 3m85 h SER 102 Ca 0.33 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 3m85 h SER 102 Cb 0.31 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3m85 h SER 102 CO -0.24 0.15 -0.27 0.50 -1.14 0.00 0.00 176.83 175.82 3m85 h LYS 103 N 0.37 -0.61 -0.74 3.45 3.64 -0.17 -0.93 116.57 121.58 3m85 h LYS 103 Ca 0.23 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3m85 h LYS 103 Cb 0.23 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 3m85 h LYS 103 CO -0.23 -0.40 0.49 -0.39 -2.27 0.00 0.00 179.45 176.65 3m85 h VAL 104 N -0.63 1.17 -0.53 2.00 -1.51 -1.01 -1.75 116.25 113.98 3m85 h VAL 104 Ca -0.05 -0.33 -0.11 0.00 -1.23 0.00 0.00 66.70 64.98 3m85 h VAL 104 Cb 0.52 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 3m85 h VAL 104 CO 0.03 0.18 -0.09 0.28 -1.23 0.00 0.00 177.57 176.73 3m85 h SER 105 N 0.97 0.98 0.31 4.19 0.02 -1.01 -1.66 113.55 117.35 3m85 h SER 105 Ca 0.28 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3m85 h SER 105 Cb -0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3m85 h SER 105 CO -0.07 1.08 -0.29 0.50 -1.14 0.00 0.00 176.83 176.92 3m85 h LYS 106 N 0.88 -0.60 -0.27 3.45 3.64 -0.32 -2.85 116.57 120.50 3m85 h LYS 106 Ca 0.14 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3m85 h LYS 106 Cb 0.64 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3m85 h LYS 106 CO 0.04 -0.40 0.20 0.93 -2.27 0.00 0.00 179.45 177.95 3m85 h GLU 107 N -0.63 0.00 -0.56 1.90 5.08 -1.03 0.55 114.58 119.89 3m85 h GLU 107 Ca -0.02 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 3m85 h GLU 107 Cb 0.57 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 3m85 h GLU 107 CO -0.05 0.00 0.14 0.00 -1.00 0.00 0.00 179.01 178.11 3m85 h ALA 108 N 1.85 0.67 0.00 3.43 0.00 -1.07 -2.81 119.26 121.33 3m85 h ALA 108 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3m85 h ALA 108 Cb 0.52 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3m85 h ALA 108 CO -0.00 -0.28 -0.44 0.74 0.00 0.00 0.00 179.25 179.27 3m85 h PHE 109 N 0.29 0.00 0.00 0.00 -1.00 0.08 -3.15 116.94 113.16 3m85 h PHE 109 Ca 0.29 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.04 3m85 h PHE 109 Cb 0.39 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.95 3m85 h PHE 109 CO -0.22 0.00 -0.13 1.49 -1.61 0.00 0.00 178.31 177.84 3m85 h GLU 110 N 0.00 0.00 0.00 1.51 4.81 -0.96 -1.63 114.58 118.31 3m85 h GLU 110 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3m85 h GLU 110 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 3m85 h GLU 110 CO 0.00 0.13 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 3m85 h ALA 111 N 1.87 1.00 0.00 2.92 0.00 -1.49 -3.38 119.26 120.17 3m85 h ALA 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m85 h ALA 111 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3m85 h ALA 111 CO 0.02 0.00 -0.28 0.28 0.00 0.00 0.00 179.25 179.27 3m85 n VAL 112 N -2.46 0.00 -2.35 0.00 0.31 -1.06 -4.96 118.33 107.81 3m85 n VAL 112 Ca 0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.98 3m85 n VAL 112 Cb 0.38 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 33.04 3m85 n VAL 112 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m85 s ILE 113 N -1.28 3.26 -1.37 2.52 1.01 -0.64 -0.10 121.20 124.60 3m85 s ILE 113 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 60.65 61.69 3m85 s ILE 113 Cb 0.00 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.89 3m85 s ILE 113 CO 0.00 0.18 2.15 0.23 0.00 0.00 0.00 174.94 177.50 3m85 n MET 114 N 0.53 3.54 0.29 2.79 2.81 0.12 -4.79 117.12 122.41 3m85 n MET 114 Ca 0.02 -3.12 0.17 0.00 -1.81 0.00 0.00 57.70 52.96 3m85 n MET 114 Cb 0.46 -2.98 0.93 0.00 -0.71 0.00 0.00 33.22 30.92 3m85 n MET 114 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3m85 h LYS 115 N 5.59 0.00 0.00 0.03 2.10 -1.90 -1.88 116.57 120.51 3m85 h LYS 115 Ca 0.53 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.16 3m85 h LYS 115 Cb 0.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.88 3m85 h LYS 115 CO 1.70 0.00 -0.09 0.93 -2.00 0.00 0.00 179.45 179.99 3m85 h GLU 116 N 0.00 0.00 0.00 0.07 3.07 -1.87 0.71 114.58 116.56 3m85 h GLU 116 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3m85 h GLU 116 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3m85 h GLU 116 CO 0.00 0.09 0.00 -0.07 -1.40 0.00 0.00 179.01 177.63 3m85 h LEU 117 N 0.00 0.00 -6.46 1.33 3.38 -1.67 -3.37 115.31 108.52 3m85 h LEU 117 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 3m85 h LEU 117 Cb 0.19 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.55 3m85 h LEU 117 CO 0.01 0.00 -0.88 0.49 0.09 0.00 0.00 178.44 178.15 3m85 n PHE 118 N -2.75 0.46 -1.88 1.13 3.01 -0.96 -5.06 117.46 111.41 3m85 n PHE 118 Ca 0.03 -3.64 -0.37 0.00 1.01 0.00 0.00 57.45 54.47 3m85 n PHE 118 Cb 0.37 -0.10 0.04 0.00 -0.01 0.00 0.00 39.48 39.78 3m85 n PHE 118 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3m85 s PRO 119 N -0.68 2.98 -1.44 -1.08 0.02 -1.26 -2.24 135.00 131.30 3m85 s PRO 119 Ca 0.32 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.31 3m85 s PRO 119 Cb 0.05 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3m85 s PRO 119 CO -0.17 -1.25 0.74 0.54 -0.33 0.00 0.00 177.00 176.53 3m85 n ARG 120 N -1.38 -4.63 -4.25 5.54 1.74 -0.36 -4.84 116.66 108.47 3m85 n ARG 120 Ca 0.13 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.61 3m85 n ARG 120 Cb 0.47 -5.14 -0.10 0.00 -1.02 0.00 0.00 32.46 26.68 3m85 n ARG 120 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3m85 s SER 121 N -3.93 0.68 0.02 0.55 0.01 -1.23 -4.47 113.70 105.34 3m85 s SER 121 Ca 0.28 -1.42 0.06 0.00 1.31 0.00 0.00 55.95 56.18 3m85 s SER 121 Cb -0.14 0.31 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 3m85 s SER 121 CO 0.84 -0.82 -0.17 0.00 0.41 0.00 0.00 173.24 173.51 3m85 s ALA 122 N -3.95 1.40 -0.25 1.44 0.00 -0.98 0.37 121.76 119.79 3m85 s ALA 122 Ca 0.38 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3m85 s ALA 122 Cb 0.07 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 22.97 3m85 s ALA 122 CO 0.14 0.31 -0.11 0.42 0.00 0.00 0.00 175.76 176.52 3m85 s ILE 123 N -0.69 2.05 -0.24 0.00 1.01 -0.40 -2.10 121.20 120.82 3m85 s ILE 123 Ca 0.05 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 3m85 s ILE 123 Cb -0.08 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3m85 s ILE 123 CO 0.01 -0.01 0.17 -1.81 0.00 0.00 0.00 174.94 173.30 3m85 s ASP 124 N 1.17 6.12 -0.19 3.58 -0.00 0.24 -2.43 116.67 125.15 3m85 s ASP 124 Ca -0.08 0.12 -0.01 0.00 -0.00 0.00 0.00 52.55 52.58 3m85 s ASP 124 Cb -0.19 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.62 3m85 s ASP 124 CO -0.06 0.06 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.42 3m85 s ILE 125 N 1.10 2.78 -0.09 0.77 1.01 -0.72 0.13 121.20 126.19 3m85 s ILE 125 Ca 0.08 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.03 3m85 s ILE 125 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3m85 s ILE 125 CO 0.05 0.48 -0.10 -0.36 0.00 0.00 0.00 174.94 175.01 3m85 s PHE 126 N 1.28 2.85 -0.03 3.97 0.40 0.11 -1.39 117.98 125.17 3m85 s PHE 126 Ca 0.03 -0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 3m85 s PHE 126 Cb -0.14 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.66 3m85 s PHE 126 CO -0.06 0.10 0.02 0.08 0.70 0.00 0.00 175.22 176.07 3m85 s VAL 127 N -0.34 0.06 -0.09 -0.44 1.01 -0.02 -0.12 120.40 120.47 3m85 s VAL 127 Ca 0.04 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.26 3m85 s VAL 127 Cb -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3m85 s VAL 127 CO 0.02 0.15 -0.20 -1.61 0.00 0.00 0.00 175.10 173.46 3m85 s GLU 128 N 1.36 2.58 -0.25 2.72 8.01 -0.78 -0.95 118.70 131.40 3m85 s GLU 128 Ca -0.05 -0.73 -0.16 0.00 0.01 0.00 0.00 54.97 54.03 3m85 s GLU 128 Cb -0.13 -2.00 -0.03 0.00 -4.31 0.00 0.00 34.13 27.66 3m85 s GLU 128 CO -0.03 0.15 0.43 0.54 0.01 0.00 0.00 175.26 176.36 3m85 s VAL 129 N 0.40 5.14 -0.12 2.63 0.11 -0.74 -1.64 120.40 126.17 3m85 s VAL 129 Ca -0.16 0.72 -0.18 0.00 -2.93 0.00 0.00 61.98 59.43 3m85 s VAL 129 Cb -0.17 -3.75 -0.26 0.00 -1.53 0.00 0.00 36.38 30.67 3m85 s VAL 129 CO 0.07 0.15 0.52 -0.07 -3.33 0.00 0.00 175.10 172.44 3m85 h LEU 130 N 8.44 0.28 -8.06 2.54 3.38 -0.72 -2.28 115.31 118.89 3m85 h LEU 130 Ca -0.32 -0.81 -0.48 0.00 0.09 0.00 0.00 57.88 56.36 3m85 h LEU 130 Cb 1.15 -0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.50 3m85 h LEU 130 CO 0.69 1.54 -0.81 -1.58 0.09 0.00 0.00 178.44 178.37 3m85 s GLN 131 N -2.43 1.28 -0.09 1.13 0.74 -1.11 -3.19 119.66 115.99 3m85 s GLN 131 Ca -0.21 -0.41 0.04 0.00 0.05 0.00 0.00 55.36 54.83 3m85 s GLN 131 Cb 0.04 -1.15 -0.00 0.00 1.10 0.00 0.00 33.01 33.00 3m85 s GLN 131 CO 0.73 0.15 -0.24 0.00 -0.55 0.00 0.00 175.29 175.38 3m85 s ALA 132 N 0.18 2.14 0.00 1.58 0.00 -0.83 0.32 121.76 125.16 3m85 s ALA 132 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3m85 s ALA 132 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3m85 s ALA 132 CO 0.01 0.31 0.00 -3.47 0.00 0.00 0.00 175.76 172.61 3m85 n ASP 133 N 3.42 1.59 -4.77 0.00 4.64 -1.26 -4.81 116.55 115.35 3m85 n ASP 133 Ca -0.19 -0.24 -0.40 0.00 -1.38 0.00 0.00 54.79 52.58 3m85 n ASP 133 Cb 0.53 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.60 3m85 n ASP 133 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3m85 s ALA 134 N -2.00 3.35 0.00 -1.67 0.00 -1.26 -3.99 121.76 116.19 3m85 s ALA 134 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3m85 s ALA 134 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3m85 s ALA 134 CO 0.00 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3m85 n GLY 135 N 0.65 0.91 0.18 0.00 0.00 -1.26 -4.89 105.19 100.78 3m85 n GLY 135 Ca 0.03 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 3m85 n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m85 h SER 136 N 0.00 0.45 -0.72 1.61 4.64 -1.96 -1.42 113.55 116.14 3m85 h SER 136 Ca 0.00 -0.28 0.11 0.00 -0.47 0.00 0.00 61.79 61.14 3m85 h SER 136 Cb 0.49 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.37 3m85 h SER 136 CO 0.00 1.01 0.35 0.03 -0.87 0.00 0.00 176.83 177.34 3m85 h ARG 137 N 0.27 0.55 0.07 4.77 -0.00 -1.93 1.04 114.38 119.14 3m85 h ARG 137 Ca -0.02 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.45 3m85 h ARG 137 Cb 1.26 -0.12 -0.04 0.00 0.00 0.00 0.00 29.97 31.06 3m85 h ARG 137 CO 0.12 0.36 -0.28 1.15 0.00 0.00 0.00 179.97 181.32 3m85 h THR 138 N 0.57 0.38 -0.77 2.04 2.02 -1.85 -1.37 112.91 113.94 3m85 h THR 138 Ca 0.37 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.61 3m85 h THR 138 Cb 0.44 0.38 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 3m85 h THR 138 CO -0.30 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.04 3m85 h ALA 139 N 0.28 1.05 -0.30 6.16 0.00 0.23 -2.63 119.26 124.05 3m85 h ALA 139 Ca 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3m85 h ALA 139 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m85 h ALA 139 CO -0.20 0.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.10 3m85 h LEU 141 N 0.46 0.91 -0.16 0.00 3.38 -0.93 -0.30 115.31 118.69 3m85 h LEU 141 Ca 0.09 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 3m85 h LEU 141 Cb 0.47 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3m85 h LEU 141 CO 0.03 1.14 -0.65 0.78 0.09 0.00 0.00 178.44 179.83 3m85 h ASN 142 N 0.74 0.84 -0.57 -0.43 2.35 -1.30 -1.69 115.58 115.52 3m85 h ASN 142 Ca 0.08 -0.62 -0.05 0.00 -0.55 0.00 0.00 56.30 55.16 3m85 h ASN 142 Cb 0.87 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3m85 h ASN 142 CO 0.08 1.32 0.17 0.00 -1.65 0.00 0.00 177.43 177.35 3m85 h ALA 143 N 0.54 0.75 -0.64 -0.83 0.00 -1.27 -2.57 119.26 115.25 3m85 h ALA 143 Ca -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3m85 h ALA 143 Cb 1.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3m85 h ALA 143 CO 0.14 0.43 0.26 0.00 0.00 0.00 0.00 179.25 180.07 3m85 h ALA 144 N 1.04 0.83 -0.34 0.00 0.00 -0.91 -1.18 119.26 118.71 3m85 h ALA 144 Ca 0.18 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3m85 h ALA 144 Cb 0.30 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3m85 h ALA 144 CO -0.00 0.44 0.04 0.77 0.00 0.00 0.00 179.25 180.50 3m85 h SER 145 N 0.90 -0.04 -0.39 0.00 0.02 -1.08 -0.33 113.55 112.62 3m85 h SER 145 Ca 0.21 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3m85 h SER 145 Cb 0.20 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 3m85 h SER 145 CO -0.02 0.02 0.24 0.58 -1.14 0.00 0.00 176.83 176.51 3m85 h VAL 146 N 0.15 1.12 -0.36 2.27 2.07 -1.09 -1.65 116.25 118.76 3m85 h VAL 146 Ca 0.16 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.51 3m85 h VAL 146 Cb 0.19 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 3m85 h VAL 146 CO -0.23 0.12 -0.21 0.00 0.02 0.00 0.00 177.57 177.27 3m85 h ALA 147 N 1.12 0.04 -0.79 1.67 0.00 -0.59 0.21 119.26 120.92 3m85 h ALA 147 Ca 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3m85 h ALA 147 Cb -0.02 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3m85 h ALA 147 CO -0.03 -0.59 0.45 -0.07 0.00 0.00 0.00 179.25 179.01 3m85 h LEU 148 N -0.15 0.96 -0.42 0.00 3.38 -0.52 0.10 115.31 118.66 3m85 h LEU 148 Ca 0.18 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3m85 h LEU 148 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3m85 h LEU 148 CO -0.45 0.76 -0.33 0.58 0.09 0.00 0.00 178.44 179.09 3m85 h VAL 149 N 1.09 1.27 -0.14 1.22 2.07 -0.56 -2.07 116.25 119.13 3m85 h VAL 149 Ca 0.28 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 3m85 h VAL 149 Cb -0.00 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3m85 h VAL 149 CO -0.05 0.51 -0.11 -0.78 0.02 0.00 0.00 177.57 177.17 3m85 h ASP 150 N 0.80 0.21 0.00 0.57 -0.00 -0.37 0.10 116.42 117.73 3m85 h ASP 150 Ca 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3m85 h ASP 150 Cb 0.92 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.20 3m85 h ASP 150 CO 0.09 0.34 -0.00 0.00 -0.00 0.00 0.00 179.24 179.67 3m85 n ALA 151 N -2.49 2.69 -1.99 -0.78 0.00 0.30 -4.63 120.51 113.60 3m85 n ALA 151 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 3m85 n ALA 151 Cb 0.24 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 3m85 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m85 n GLY 152 N 1.00 0.60 3.70 0.00 0.00 0.35 -4.87 105.19 105.97 3m85 n GLY 152 Ca 0.24 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3m85 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m85 s VAL 153 N -2.82 4.88 0.24 1.61 0.11 -0.93 -4.99 120.40 118.49 3m85 s VAL 153 Ca 0.00 1.86 -0.31 0.00 -2.93 0.00 0.00 61.98 60.60 3m85 s VAL 153 Cb 0.00 -4.23 -0.11 0.00 -1.53 0.00 0.00 36.38 30.51 3m85 s VAL 153 CO 0.00 0.12 1.55 -2.84 -3.33 0.00 0.00 175.10 170.60 3m85 s PRO 154 N 1.42 4.19 -0.04 1.54 0.02 -1.26 -4.69 135.00 136.18 3m85 s PRO 154 Ca 0.46 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.87 3m85 s PRO 154 Cb -0.19 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3m85 s PRO 154 CO 0.21 -0.57 0.14 -1.64 -0.33 0.00 0.00 177.00 174.80 3m85 s MET 155 N 0.13 0.23 0.65 5.54 -1.94 -1.26 -0.70 119.30 121.94 3m85 s MET 155 Ca 0.65 0.07 0.42 0.00 -1.71 0.00 0.00 55.69 55.12 3m85 s MET 155 Cb -0.45 0.11 2.28 0.00 2.01 0.00 0.00 34.83 38.77 3m85 s MET 155 CO 0.41 -0.04 2.34 0.87 -0.01 0.00 0.00 175.02 178.58 3m85 h LYS 156 N 5.59 0.00 0.00 2.03 1.57 -0.85 -3.47 116.57 121.44 3m85 h LYS 156 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3m85 h LYS 156 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3m85 h LYS 156 CO 0.41 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 3m85 n GLY 157 N -1.07 -0.56 3.89 3.86 0.00 -1.26 -4.88 105.19 105.17 3m85 n GLY 157 Ca -0.03 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3m85 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m85 s MET 158 N -0.45 3.61 -0.23 1.61 -1.94 -0.86 -4.87 119.30 116.18 3m85 s MET 158 Ca 0.00 -0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 53.78 3m85 s MET 158 Cb 0.00 -2.99 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 3m85 s MET 158 CO 0.00 0.57 0.25 0.42 -0.01 0.00 0.00 175.02 176.25 3m85 s ILE 159 N -1.45 5.30 0.09 2.53 -1.09 -1.26 -0.72 121.20 124.60 3m85 s ILE 159 Ca 0.33 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 59.20 3m85 s ILE 159 Cb -0.13 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3m85 s ILE 159 CO 0.20 0.31 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.15 3m85 s THR 160 N 1.18 1.48 -0.12 2.92 2.01 -0.47 -4.77 115.64 117.88 3m85 s THR 160 Ca 0.12 -1.44 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 3m85 s THR 160 Cb -0.14 -1.36 0.05 0.00 0.01 0.00 0.00 72.50 71.06 3m85 s THR 160 CO 0.06 -0.12 0.28 -0.55 -0.69 0.00 0.00 174.62 173.60 3m85 s SER 161 N -1.82 -0.31 0.06 3.53 0.15 -1.26 0.11 113.70 114.15 3m85 s SER 161 Ca 0.03 0.59 -0.08 0.00 0.70 0.00 0.00 55.95 57.19 3m85 s SER 161 Cb -0.10 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.69 3m85 s SER 161 CO 0.03 -0.17 0.17 0.54 1.20 0.00 0.00 173.24 175.02 3m85 s VAL 162 N 1.25 0.13 0.08 4.45 0.11 -0.95 -4.82 120.40 120.65 3m85 s VAL 162 Ca -0.09 -1.06 0.09 0.00 -2.93 0.00 0.00 61.98 57.99 3m85 s VAL 162 Cb -0.10 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 3m85 s VAL 162 CO -0.09 -0.58 -0.21 0.00 -3.33 0.00 0.00 175.10 170.89 3m85 s ALA 163 N -3.10 2.53 0.07 1.54 0.00 -1.26 -0.53 121.76 121.01 3m85 s ALA 163 Ca -0.01 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.69 3m85 s ALA 163 Cb 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3m85 s ALA 163 CO -0.07 0.57 -0.01 0.08 0.00 0.00 0.00 175.76 176.33 3m85 s VAL 164 N -1.00 4.00 0.32 0.00 1.01 0.38 -1.28 120.40 123.84 3m85 s VAL 164 Ca 0.15 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3m85 s VAL 164 Cb -0.10 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3m85 s VAL 164 CO 0.06 0.18 0.13 0.61 0.00 0.00 0.00 175.10 176.08 3m85 n GLY 165 N 0.77 3.38 2.80 4.51 0.00 -0.19 -0.79 105.19 115.67 3m85 n GLY 165 Ca -0.12 -2.05 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 3m85 n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m85 s LYS 166 N -3.21 0.67 -0.01 1.61 2.20 -1.00 -0.80 119.74 119.19 3m85 s LYS 166 Ca 0.18 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 3m85 s LYS 166 Cb 0.01 -0.95 -0.00 0.00 -1.51 0.00 0.00 37.83 35.37 3m85 s LYS 166 CO 0.13 -0.26 -0.09 0.00 -0.36 0.00 0.00 175.35 174.77 3m85 s ALA 167 N 1.75 0.77 -1.06 3.13 0.00 0.84 -0.39 121.76 126.79 3m85 s ALA 167 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3m85 s ALA 167 Cb -0.13 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3m85 s ALA 167 CO -0.04 0.17 0.09 -0.25 0.00 0.00 0.00 175.76 175.73 3m85 n ASP 168 N 2.95 -3.84 -0.12 0.00 10.43 -1.26 0.80 116.55 125.51 3m85 n ASP 168 Ca -0.14 0.11 -0.02 0.00 2.57 0.00 0.00 54.79 57.31 3m85 n ASP 168 Cb 0.56 -3.25 -0.01 0.00 1.84 0.00 0.00 41.12 40.27 3m85 n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m85 n GLY 169 N -0.87 0.49 3.61 0.44 0.00 -1.26 -5.02 105.19 102.57 3m85 n GLY 169 Ca -0.12 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 3m85 n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m85 s GLN 170 N -1.06 3.11 -0.03 1.61 -0.21 0.24 -5.09 119.66 118.22 3m85 s GLN 170 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.61 3m85 s GLN 170 Cb 0.00 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 3m85 s GLN 170 CO 0.00 0.57 1.03 -0.51 -2.12 0.00 0.00 175.29 174.26 3m85 s LEU 171 N -0.53 4.32 0.01 2.90 1.43 -1.26 -0.11 118.68 125.44 3m85 s LEU 171 Ca 0.09 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 3m85 s LEU 171 Cb -0.12 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3m85 s LEU 171 CO 0.02 -0.37 -0.17 0.68 0.23 0.00 0.00 176.35 176.74 3m85 s VAL 172 N 1.46 1.35 0.34 -1.59 -7.23 0.02 -4.83 120.40 109.92 3m85 s VAL 172 Ca 0.52 -0.86 -0.25 0.00 -1.81 0.00 0.00 61.98 59.58 3m85 s VAL 172 Cb -0.21 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 3m85 s VAL 172 CO 0.24 0.28 0.93 -0.22 -0.31 0.00 0.00 175.10 176.02 3m85 s LEU 173 N -0.68 4.26 -0.79 1.32 2.96 0.53 -1.02 118.68 125.25 3m85 s LEU 173 Ca 0.06 1.78 -0.00 0.00 -0.22 0.00 0.00 54.13 55.75 3m85 s LEU 173 Cb -0.07 -4.10 0.00 0.00 0.50 0.00 0.00 46.19 42.52 3m85 s LEU 173 CO 0.00 -0.12 0.64 -0.67 -1.32 0.00 0.00 176.35 174.87 3m85 n ASP 174 N 0.31 -5.86 -4.69 3.68 4.64 -0.40 -4.75 116.55 109.48 3m85 n ASP 174 Ca 0.03 -0.65 -0.39 0.00 -1.38 0.00 0.00 54.79 52.40 3m85 n ASP 174 Cb 0.51 -2.91 0.04 0.00 -1.04 0.00 0.00 41.12 37.72 3m85 n ASP 174 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3m85 n PRO 175 N -2.31 1.38 -2.92 -0.67 -0.02 -1.26 -4.70 135.00 124.50 3m85 n PRO 175 Ca -0.21 0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 61.59 3m85 n PRO 175 Cb 0.63 -2.40 0.05 0.00 -0.02 0.00 0.00 33.50 31.76 3m85 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m85 s MET 176 N -2.79 2.38 0.10 -0.52 0.23 -1.26 -4.63 119.30 112.81 3m85 s MET 176 Ca 0.73 -1.37 -0.25 0.00 -1.03 0.00 0.00 55.69 53.77 3m85 s MET 176 Cb -0.43 -2.62 -0.11 0.00 -1.53 0.00 0.00 34.83 30.15 3m85 s MET 176 CO 0.49 -0.77 1.68 -0.22 -2.03 0.00 0.00 175.02 174.17 3m85 h LYS 177 N 0.19 -0.27 -0.08 3.16 3.64 -1.95 -0.57 116.57 120.69 3m85 h LYS 177 Ca -0.35 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3m85 h LYS 177 Cb 1.28 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3m85 h LYS 177 CO 0.43 -0.18 0.08 0.93 -2.27 0.00 0.00 179.45 178.44 3m85 h GLU 178 N -0.28 0.00 0.00 1.90 3.07 -1.99 -1.63 114.58 115.66 3m85 h GLU 178 Ca 0.02 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.67 3m85 h GLU 178 Cb 0.29 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 3m85 h GLU 178 CO -0.07 0.00 -1.06 0.93 -1.40 0.00 0.00 179.01 177.41 3m85 h GLU 179 N 0.00 0.00 -0.08 2.33 5.08 -1.53 -2.44 114.58 117.95 3m85 h GLU 179 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 3m85 h GLU 179 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3m85 h GLU 179 CO -0.00 0.78 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.03 3m85 h ASP 180 N 0.00 0.42 -0.03 1.42 5.19 -0.78 -2.02 116.42 120.62 3m85 h ASP 180 Ca -0.07 -0.64 -0.05 0.00 -0.62 0.00 0.00 57.03 55.65 3m85 h ASP 180 Cb 1.73 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 41.11 3m85 h ASP 180 CO 0.10 0.99 -0.11 0.78 -3.12 0.00 0.00 179.24 177.88 3m85 h ASN 181 N -0.13 0.28 0.00 6.45 2.35 -1.35 -3.25 115.58 119.94 3m85 h ASN 181 Ca -0.02 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3m85 h ASN 181 Cb 0.97 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3m85 h ASN 181 CO 0.07 0.43 -0.20 0.49 -1.65 0.00 0.00 177.43 176.57 3m85 n PHE 182 N -4.27 0.00 -1.49 1.19 3.01 -0.92 -5.06 117.46 109.92 3m85 n PHE 182 Ca -0.00 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.90 3m85 n PHE 182 Cb 0.27 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 3m85 n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m85 n GLY 183 N -0.79 0.44 0.00 1.37 0.00 -0.76 -4.88 105.19 100.57 3m85 n GLY 183 Ca 0.09 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3m85 n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m85 n GLU 184 N -0.52 3.94 -3.61 1.61 1.02 0.47 -5.00 120.64 118.54 3m85 n GLU 184 Ca 0.00 -0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 3m85 n GLU 184 Cb 0.00 -0.79 -0.07 0.00 -0.02 0.00 0.00 31.44 30.56 3m85 n GLU 184 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m85 s ALA 185 N -1.61 -1.40 -0.10 0.62 0.00 -1.24 -1.51 121.76 116.52 3m85 s ALA 185 Ca 0.00 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3m85 s ALA 185 Cb 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.16 3m85 s ALA 185 CO 0.12 -0.33 0.15 0.34 0.00 0.00 0.00 175.76 176.05 3m85 s ASP 186 N -1.15 0.95 -0.33 0.00 3.68 -0.12 -2.36 116.67 117.34 3m85 s ASP 186 Ca -0.11 0.19 -0.01 0.00 2.13 0.00 0.00 52.55 54.75 3m85 s ASP 186 Cb -0.02 0.21 0.13 0.00 -1.45 0.00 0.00 42.92 41.78 3m85 s ASP 186 CO 0.07 -0.26 0.20 -0.32 0.13 0.00 0.00 175.17 175.00 3m85 s MET 187 N 2.27 0.41 -0.14 4.34 1.75 0.03 -1.36 119.30 126.61 3m85 s MET 187 Ca 0.04 -0.93 -0.29 0.00 -1.25 0.00 0.00 55.69 53.26 3m85 s MET 187 Cb -0.13 -1.15 -0.01 0.00 2.84 0.00 0.00 34.83 36.39 3m85 s MET 187 CO -0.06 -1.13 1.00 -1.25 -0.65 0.00 0.00 175.02 172.92 3m85 s PRO 188 N 1.55 4.37 0.28 4.11 0.04 -1.02 -0.47 135.00 143.86 3m85 s PRO 188 Ca 0.14 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.60 3m85 s PRO 188 Cb -0.19 -3.57 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 3m85 s PRO 188 CO -0.15 -0.39 0.25 -0.06 0.04 0.00 0.00 177.00 176.69 3m85 s PHE 189 N 2.30 3.08 -0.10 0.56 0.40 0.31 -2.22 117.98 122.31 3m85 s PHE 189 Ca 0.46 -0.16 -0.07 0.00 -0.60 0.00 0.00 56.93 56.56 3m85 s PHE 189 Cb -0.17 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 41.84 3m85 s PHE 189 CO 0.15 0.40 0.26 0.00 0.70 0.00 0.00 175.22 176.72 3m85 s ALA 190 N -2.17 -0.61 0.10 5.36 0.00 -0.50 -2.23 121.76 121.70 3m85 s ALA 190 Ca 0.36 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.29 3m85 s ALA 190 Cb -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3m85 s ALA 190 CO 0.26 -0.17 -0.16 -0.06 0.00 0.00 0.00 175.76 175.64 3m85 s PHE 191 N 0.75 2.61 0.09 0.00 0.40 0.29 0.82 117.98 122.94 3m85 s PHE 191 Ca -0.05 -0.23 -0.27 0.00 -0.60 0.00 0.00 56.93 55.78 3m85 s PHE 191 Cb -0.06 -1.40 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 3m85 s PHE 191 CO -0.05 0.37 0.84 -1.17 0.70 0.00 0.00 175.22 175.92 3m85 s LEU 192 N -2.00 4.50 -0.14 -0.37 2.96 -0.32 -1.36 118.68 121.95 3m85 s LEU 192 Ca 0.18 1.62 0.01 0.00 -0.22 0.00 0.00 54.13 55.72 3m85 s LEU 192 Cb -0.11 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 3m85 s LEU 192 CO 0.10 0.02 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 3m85 s ILE 193 N -0.25 2.72 -0.16 6.68 -1.09 0.11 -1.47 121.20 127.74 3m85 s ILE 193 Ca 0.41 -0.77 -0.07 0.00 -2.23 0.00 0.00 60.65 58.00 3m85 s ILE 193 Cb -0.22 -2.13 0.07 0.00 -1.58 0.00 0.00 42.46 38.60 3m85 s ILE 193 CO 0.26 0.53 0.36 -0.60 -1.23 0.00 0.00 174.94 174.26 3m85 s ARG 194 N 0.54 0.28 -0.67 2.79 3.52 -0.62 -2.02 118.95 122.77 3m85 s ARG 194 Ca -0.10 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 3m85 s ARG 194 Cb -0.16 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 3m85 s ARG 194 CO 0.04 -0.23 0.00 -1.71 -0.81 0.00 0.00 175.30 172.58 3m85 n ASN 195 N 5.05 -2.91 -0.40 -2.12 2.85 -1.26 -2.57 115.26 113.90 3m85 n ASN 195 Ca -0.12 0.01 -0.05 0.00 -0.11 0.00 0.00 54.58 54.31 3m85 n ASN 195 Cb 0.51 -2.12 -0.02 0.00 1.24 0.00 0.00 39.78 39.39 3m85 n ASN 195 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3m85 n GLY 196 N -1.11 0.61 3.37 8.20 0.00 -1.26 -4.97 105.19 110.04 3m85 n GLY 196 Ca -0.09 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3m85 n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m85 s LYS 197 N -2.09 1.37 0.11 1.61 1.02 -1.06 -5.11 119.74 115.60 3m85 s LYS 197 Ca 0.00 -1.41 -0.31 0.00 0.02 0.00 0.00 55.97 54.27 3m85 s LYS 197 Cb 0.00 -1.66 -0.08 0.00 -0.52 0.00 0.00 37.83 35.57 3m85 s LYS 197 CO 0.00 0.36 1.43 0.42 -0.92 0.00 0.00 175.35 176.65 3m85 s ILE 198 N -1.57 3.20 -0.16 2.17 1.09 -1.26 -1.58 121.20 123.09 3m85 s ILE 198 Ca 0.16 0.84 -0.14 0.00 -1.10 0.00 0.00 60.65 60.41 3m85 s ILE 198 Cb -0.08 -3.54 -0.06 0.00 -1.06 0.00 0.00 42.46 37.72 3m85 s ILE 198 CO 0.07 0.06 -0.29 -0.62 -0.10 0.00 0.00 174.94 174.06 3m85 n GLU 199 N 4.13 0.45 -4.04 2.79 1.02 -0.54 -4.92 120.64 119.53 3m85 n GLU 199 Ca 0.12 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.35 3m85 n GLU 199 Cb 0.42 -1.28 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 3m85 n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3m85 s SER 200 N -6.27 0.17 -0.01 1.62 1.04 -1.25 -5.01 113.70 103.99 3m85 s SER 200 Ca -0.26 -1.01 -0.30 0.00 0.48 0.00 0.00 55.95 54.85 3m85 s SER 200 Cb 0.06 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 3m85 s SER 200 CO 0.37 -0.81 0.99 -0.63 0.98 0.00 0.00 173.24 174.14 3m85 s ILE 201 N -4.00 4.83 -0.04 -1.02 1.01 -1.26 -1.17 121.20 119.54 3m85 s ILE 201 Ca 0.19 2.03 0.12 0.00 0.00 0.00 0.00 60.65 63.00 3m85 s ILE 201 Cb 0.05 -4.30 -0.19 0.00 0.01 0.00 0.00 42.46 38.03 3m85 s ILE 201 CO 0.00 0.15 0.23 0.00 0.00 0.00 0.00 174.94 175.31 3m85 n ALA 202 N 3.99 2.30 -3.16 9.38 0.00 0.24 -4.84 120.51 128.41 3m85 n ALA 202 Ca 0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 3m85 n ALA 202 Cb 0.51 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.51 3m85 n ALA 202 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m85 s LEU 203 N -4.12 1.00 -0.29 0.00 0.20 -0.54 -4.32 118.68 110.60 3m85 s LEU 203 Ca -0.05 0.42 0.03 0.00 0.69 0.00 0.00 54.13 55.21 3m85 s LEU 203 Cb 0.07 0.96 0.19 0.00 -0.43 0.00 0.00 46.19 46.98 3m85 s LEU 203 CO 0.52 -0.17 0.56 -0.22 -0.29 0.00 0.00 176.35 176.76 3m85 s LEU 204 N -0.20 -1.42 0.07 -0.68 1.98 -1.25 -1.41 118.68 115.77 3m85 s LEU 204 Ca -0.03 0.38 0.07 0.00 -2.89 0.00 0.00 54.13 51.65 3m85 s LEU 204 Cb -0.03 1.95 -0.03 0.00 0.66 0.00 0.00 46.19 48.74 3m85 s LEU 204 CO 0.01 -0.29 -0.18 -1.10 -1.89 0.00 0.00 176.35 172.90 3m85 s GLN 205 N 2.80 1.08 -0.01 1.98 -0.21 -0.94 -5.03 119.66 119.33 3m85 s GLN 205 Ca 0.14 -0.97 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 3m85 s GLN 205 Cb -0.12 -1.20 0.00 0.00 1.00 0.00 0.00 33.01 32.69 3m85 s GLN 205 CO -0.24 0.29 0.11 0.00 -2.12 0.00 0.00 175.29 173.33 3m85 s MET 206 N -1.51 0.36 -0.01 2.91 0.23 -1.26 -2.43 119.30 117.58 3m85 s MET 206 Ca 0.04 -0.25 0.02 0.00 -1.03 0.00 0.00 55.69 54.47 3m85 s MET 206 Cb -0.09 0.15 -0.00 0.00 -1.53 0.00 0.00 34.83 33.35 3m85 s MET 206 CO 0.03 -0.08 -0.07 -0.51 -2.03 0.00 0.00 175.02 172.36 3m85 s ASP 207 N -0.94 0.87 0.00 -1.18 1.01 -0.46 -5.02 116.67 110.95 3m85 s ASP 207 Ca -0.10 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.02 3m85 s ASP 207 Cb -0.06 -0.12 0.00 0.00 1.01 0.00 0.00 42.92 43.75 3m85 s ASP 207 CO 0.01 0.08 0.00 0.61 0.21 0.00 0.00 175.17 176.08 3m85 n GLY 208 N 2.98 0.73 2.76 0.21 0.00 -1.26 -0.95 105.19 109.66 3m85 n GLY 208 Ca -0.14 -1.60 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 3m85 n GLY 208 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m85 s ARG 209 N -2.00 0.30 0.09 1.61 3.52 -0.57 -4.99 118.95 116.92 3m85 s ARG 209 Ca 0.00 -0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.59 3m85 s ARG 209 Cb 0.00 -0.73 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 3m85 s ARG 209 CO 0.00 -0.96 -0.17 -1.64 -0.81 0.00 0.00 175.30 171.72 3m85 s MET 210 N 2.36 0.97 0.46 5.12 -1.94 -1.26 -4.76 119.30 120.24 3m85 s MET 210 Ca 0.09 -1.07 -0.21 0.00 -1.71 0.00 0.00 55.69 52.80 3m85 s MET 210 Cb -0.14 -1.08 -0.10 0.00 2.01 0.00 0.00 34.83 35.52 3m85 s MET 210 CO -0.30 0.24 0.99 0.95 -0.01 0.00 0.00 175.02 176.89 3m85 s THR 211 N -1.30 4.16 0.43 2.05 -4.23 -1.26 -4.87 115.64 110.61 3m85 s THR 211 Ca 0.03 1.33 0.18 0.00 -1.18 0.00 0.00 61.69 62.05 3m85 s THR 211 Cb -0.10 -3.54 0.38 0.00 1.34 0.00 0.00 72.50 70.59 3m85 s THR 211 CO 0.03 -0.30 1.86 -0.09 -0.54 0.00 0.00 174.62 175.58 3m85 h ARG 212 N 1.74 0.37 -0.23 3.99 1.12 -2.00 0.53 114.38 119.89 3m85 h ARG 212 Ca -0.49 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.36 3m85 h ARG 212 Cb 1.20 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 31.06 3m85 h ARG 212 CO 0.60 0.25 0.14 -0.44 -3.11 0.00 0.00 179.97 177.41 3m85 h ASP 213 N 0.38 0.28 -0.88 -3.80 3.32 -2.00 -2.88 116.42 110.84 3m85 h ASP 213 Ca 0.46 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3m85 h ASP 213 Cb 1.19 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3m85 h ASP 213 CO -0.17 0.24 0.46 -0.33 -1.72 0.00 0.00 179.24 177.73 3m85 h GLU 214 N 0.29 1.24 0.00 3.56 5.08 -0.34 0.15 114.58 124.57 3m85 h GLU 214 Ca 0.08 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3m85 h GLU 214 Cb 0.01 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 28.97 3m85 h GLU 214 CO -0.02 0.92 -0.41 0.28 -1.00 0.00 0.00 179.01 178.79 3m85 h VAL 215 N 1.24 0.17 -0.66 3.13 2.07 -1.22 0.78 116.25 121.75 3m85 h VAL 215 Ca 0.31 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.83 3m85 h VAL 215 Cb 0.06 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3m85 h VAL 215 CO -0.05 0.00 0.41 0.11 0.02 0.00 0.00 177.57 178.06 3m85 h LYS 216 N -0.56 0.89 -0.19 1.57 1.57 -1.25 0.53 116.57 119.12 3m85 h LYS 216 Ca 0.05 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3m85 h LYS 216 Cb 0.64 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3m85 h LYS 216 CO -0.31 0.61 -0.54 1.96 -0.57 0.00 0.00 179.45 180.60 3m85 h GLN 217 N 0.91 0.56 -0.30 3.15 4.20 -0.39 -3.18 115.11 120.05 3m85 h GLN 217 Ca 0.24 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3m85 h GLN 217 Cb -0.06 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3m85 h GLN 217 CO -0.05 0.96 0.19 0.00 -0.67 0.00 0.00 178.83 179.27 3m85 h ALA 218 N 0.97 0.38 -0.32 3.87 0.00 0.27 -1.05 119.26 123.38 3m85 h ALA 218 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3m85 h ALA 218 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3m85 h ALA 218 CO 0.10 -0.14 0.32 0.82 0.00 0.00 0.00 179.25 180.36 3m85 h ILE 219 N 0.40 0.47 -0.05 0.00 2.04 -1.15 -0.78 117.51 118.44 3m85 h ILE 219 Ca 0.11 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.87 3m85 h ILE 219 Cb -0.02 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3m85 h ILE 219 CO -0.02 0.00 -0.35 -0.33 0.00 0.00 0.00 178.15 177.44 3m85 h GLU 220 N 0.00 0.32 -0.43 2.37 4.39 -1.19 -2.51 114.58 117.53 3m85 h GLU 220 Ca 0.15 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.51 3m85 h GLU 220 Cb 0.80 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 3m85 h GLU 220 CO -0.00 0.94 0.03 1.25 -1.16 0.00 0.00 179.01 180.07 3m85 h LEU 221 N -0.20 0.72 -0.53 1.33 6.46 -0.87 -2.42 115.31 119.80 3m85 h LEU 221 Ca -0.03 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 3m85 h LEU 221 Cb 1.03 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 3m85 h LEU 221 CO 0.07 0.83 0.29 0.00 -0.62 0.00 0.00 178.44 179.01 3m85 h ALA 222 N 0.92 0.68 0.31 1.25 0.00 -1.26 -1.88 119.26 119.28 3m85 h ALA 222 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3m85 h ALA 222 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3m85 h ALA 222 CO 0.02 -0.03 -0.18 0.87 0.00 0.00 0.00 179.25 179.93 3m85 h LYS 223 N 0.57 -0.45 -0.95 0.00 1.57 -1.23 0.39 116.57 116.48 3m85 h LYS 223 Ca 0.22 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.17 3m85 h LYS 223 Cb 0.09 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.41 3m85 h LYS 223 CO -0.13 -0.30 0.57 -0.22 -0.57 0.00 0.00 179.45 178.80 3m85 h LYS 224 N -0.46 0.82 -0.20 3.15 3.64 -1.25 -0.80 116.57 121.47 3m85 h LYS 224 Ca -0.04 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 3m85 h LYS 224 Cb 0.38 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3m85 h LYS 224 CO 0.05 0.54 -0.67 0.78 -2.27 0.00 0.00 179.45 177.88 3m85 h GLY 225 N 0.84 0.85 1.90 5.01 0.00 -0.91 -3.07 103.07 107.70 3m85 h GLY 225 Ca 0.49 -1.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 3m85 h GLY 225 CO -0.31 0.99 -0.19 0.00 0.00 0.00 0.00 176.54 177.02 3m85 h ALA 226 N 0.67 1.54 -0.20 3.60 0.00 0.11 -1.39 119.26 123.59 3m85 h ALA 226 Ca -0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3m85 h ALA 226 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3m85 h ALA 226 CO 0.14 0.34 -0.48 -0.07 0.00 0.00 0.00 179.25 179.18 3m85 h LEU 227 N 0.11 0.57 -0.19 0.00 3.38 -1.17 0.07 115.31 118.09 3m85 h LEU 227 Ca 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3m85 h LEU 227 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3m85 h LEU 227 CO 0.03 0.96 0.07 1.56 0.09 0.00 0.00 178.44 181.15 3m85 h GLN 228 N 0.42 0.28 -0.68 1.13 4.20 -1.20 -2.66 115.11 116.61 3m85 h GLN 228 Ca 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3m85 h GLN 228 Cb 0.99 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3m85 h GLN 228 CO 0.09 0.37 0.34 0.82 -0.67 0.00 0.00 178.83 179.78 3m85 h ILE 229 N 0.14 1.21 0.00 2.54 2.04 -1.18 -1.89 117.51 120.37 3m85 h ILE 229 Ca 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3m85 h ILE 229 Cb 0.19 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3m85 h ILE 229 CO -0.00 0.25 -0.09 0.22 0.00 0.00 0.00 178.15 178.52 3m85 h TYR 230 N 0.95 0.00 0.00 1.37 3.20 -0.80 -1.89 116.97 119.81 3m85 h TYR 230 Ca 0.24 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 3m85 h TYR 230 Cb 0.07 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3m85 h TYR 230 CO 0.01 0.09 -0.44 0.93 -1.64 0.00 0.00 178.16 177.10 3m85 h GLU 231 N 0.00 0.00 0.17 1.82 4.39 -0.99 -2.30 114.58 117.67 3m85 h GLU 231 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.39 3m85 h GLU 231 Cb 0.32 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3m85 h GLU 231 CO 0.01 0.44 -1.30 0.52 -1.16 0.00 0.00 179.01 177.53 3m85 h MET 232 N 0.00 0.58 -0.56 2.33 2.86 -1.32 -2.59 114.93 116.23 3m85 h MET 232 Ca -0.00 -0.85 0.04 0.00 -2.06 0.00 0.00 59.70 56.82 3m85 h MET 232 Cb 1.19 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 33.11 3m85 h MET 232 CO 0.06 1.39 0.32 1.96 1.06 0.00 0.00 176.91 181.70 3m85 h GLN 233 N 0.19 0.61 -0.25 1.72 4.20 -1.34 -0.82 115.11 119.41 3m85 h GLN 233 Ca -0.21 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.48 3m85 h GLN 233 Cb 1.98 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.61 3m85 h GLN 233 CO 0.25 0.40 0.14 -0.09 -0.67 0.00 0.00 178.83 178.86 3m85 h ARG 234 N 0.63 0.28 -0.09 1.46 2.43 -1.47 -2.12 114.38 115.49 3m85 h ARG 234 Ca 0.24 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3m85 h ARG 234 Cb 0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3m85 h ARG 234 CO -0.13 0.19 -0.01 0.93 -1.51 0.00 0.00 179.97 179.44 3m85 h GLU 235 N 0.29 0.12 -0.72 0.20 5.08 -1.01 0.40 114.58 118.95 3m85 h GLU 235 Ca 0.10 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3m85 h GLU 235 Cb 0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3m85 h GLU 235 CO -0.06 0.15 0.21 0.00 -1.00 0.00 0.00 179.01 178.32 3m85 h ALA 236 N 1.87 1.01 0.15 3.43 0.00 -0.49 -0.34 119.26 124.89 3m85 h ALA 236 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.42 3m85 h ALA 236 Cb 0.10 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m85 h ALA 236 CO 0.00 0.66 -1.28 0.82 0.00 0.00 0.00 179.25 179.45 3m85 h ILE 237 N 1.08 1.37 -0.97 0.00 1.08 -0.95 -2.66 117.51 116.46 3m85 h ILE 237 Ca 0.23 -2.74 0.09 0.00 -0.39 0.00 0.00 64.86 62.05 3m85 h ILE 237 Cb 0.32 2.86 -0.07 0.00 -3.07 0.00 0.00 36.82 36.85 3m85 h ILE 237 CO -0.01 0.82 0.62 0.25 -0.69 0.00 0.00 178.15 179.14 3m85 h LEU 238 N 0.16 0.95 -0.29 1.44 6.46 0.08 0.63 115.31 124.75 3m85 h LEU 238 Ca -0.18 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3m85 h LEU 238 Cb 1.98 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.72 3m85 h LEU 238 CO 0.23 0.57 0.10 0.03 -0.62 0.00 0.00 178.44 178.75 3m85 h ARG 239 N 1.06 0.44 -0.76 1.25 3.08 -1.03 -2.05 114.38 116.37 3m85 h ARG 239 Ca 0.45 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.52 3m85 h ARG 239 Cb 0.29 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3m85 h ARG 239 CO -0.21 0.48 0.50 -0.09 -1.07 0.00 0.00 179.97 179.58 3m85 h ARG 240 N 0.31 0.57 0.11 0.04 9.65 -0.64 -0.34 114.38 124.09 3m85 h ARG 240 Ca 0.10 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3m85 h ARG 240 Cb 0.21 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3m85 h ARG 240 CO -0.01 0.38 -0.05 -0.92 2.80 0.00 0.00 179.97 182.17 3m85 h TYR 241 N 0.58 -0.14 -1.00 2.20 3.20 -0.69 -2.07 116.97 119.06 3m85 h TYR 241 Ca 0.36 -0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.44 3m85 h TYR 241 Cb 0.60 0.04 -0.10 0.00 1.54 0.00 0.00 36.73 38.81 3m85 h TYR 241 CO -0.00 0.36 0.62 0.82 -1.64 0.00 0.00 178.16 178.31 3m85 h ILE 242 N -0.75 0.64 -0.08 1.81 2.04 -0.88 -2.58 117.51 117.70 3m85 h ILE 242 Ca -0.01 -0.22 -0.23 0.00 1.00 0.00 0.00 64.86 65.40 3m85 h ILE 242 Cb 0.55 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3m85 h ILE 242 CO 0.02 0.11 -0.87 -0.33 0.00 0.00 0.00 178.15 177.09 3m85 h GLU 243 N 0.63 0.68 -0.15 2.37 5.08 -0.89 -0.82 114.58 121.47 3m85 h GLU 243 Ca 0.58 -0.62 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3m85 h GLU 243 Cb 1.10 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3m85 h GLU 243 CO -0.36 1.23 -0.43 -0.39 -1.00 0.00 0.00 179.01 178.05 3m85 h VAL 244 N 0.43 1.32 -0.18 3.13 -1.51 -1.15 -1.43 116.25 116.86 3m85 h VAL 244 Ca -0.08 -1.60 -0.18 0.00 -1.23 0.00 0.00 66.70 63.61 3m85 h VAL 244 Cb 1.50 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.34 3m85 h VAL 244 CO 0.17 0.49 -0.62 1.23 -1.23 0.00 0.00 177.57 177.61 3m85 h GLY 245 N 1.19 0.68 1.30 5.19 0.00 -1.46 -1.33 103.07 108.63 3m85 h GLY 245 Ca 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 3m85 h GLY 245 CO 0.07 0.76 0.43 0.83 0.00 0.00 0.00 176.54 178.63 3m85 h GLU 246 N 0.46 0.93 -0.15 4.80 5.08 -1.00 -1.22 114.58 123.48 3m85 h GLU 246 Ca -0.01 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 3m85 h GLU 246 Cb 1.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3m85 h GLU 246 CO 0.12 0.65 -0.71 1.05 -1.00 0.00 0.00 179.01 179.11 3m85 h GLU 247 N 0.95 0.67 -0.73 2.33 4.11 -1.06 -2.42 114.58 118.45 3m85 h GLU 247 Ca 0.25 -0.52 0.09 0.00 0.07 0.00 0.00 59.36 59.25 3m85 h GLU 247 Cb -0.05 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 3m85 h GLU 247 CO -0.05 1.14 0.48 0.52 0.07 0.00 0.00 179.01 181.17 3m85 h MET 248 N 0.47 0.62 0.00 1.06 2.86 -0.83 -0.15 114.93 118.96 3m85 h MET 248 Ca -0.03 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3m85 h MET 248 Cb 1.32 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3m85 h MET 248 CO 0.14 0.41 0.00 -0.25 1.06 0.00 0.00 176.91 178.27 3m85 n ASP 249 N -4.49 0.66 0.02 1.22 10.43 -0.50 -3.55 116.55 120.34 3m85 n ASP 249 Ca 0.12 0.58 -0.21 0.00 2.57 0.00 0.00 54.79 57.85 3m85 n ASP 249 Cb 0.32 -0.75 -0.14 0.00 1.84 0.00 0.00 41.12 42.39 3m85 n ASP 249 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3m85 h GLU 250 N 0.00 0.26 -0.95 -1.24 4.57 -0.55 -3.09 114.58 113.57 3m85 h GLU 250 Ca 0.00 -0.44 0.14 0.00 -1.18 0.00 0.00 59.36 57.88 3m85 h GLU 250 Cb 0.61 0.16 -0.09 0.00 -0.16 0.00 0.00 28.75 29.27 3m85 h GLU 250 CO 0.00 1.21 0.57 0.97 -1.18 0.00 0.00 179.01 180.58 3m85 h ILE 251 N -0.36 0.82 -0.09 2.32 2.10 -1.50 0.33 117.51 121.12 3m85 h ILE 251 Ca -0.23 -0.28 -0.05 0.00 1.08 0.00 0.00 64.86 65.37 3m85 h ILE 251 Cb 1.69 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 3m85 h ILE 251 CO 0.09 0.15 -0.19 0.74 -1.08 0.00 0.00 178.15 177.86 3m85 h THR 252 N 0.83 1.19 -0.00 2.19 2.02 -1.67 -3.53 112.91 113.94 3m85 h THR 252 Ca 0.50 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3m85 h THR 252 Cb 0.62 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3m85 h THR 252 CO -0.32 0.26 0.00 1.21 0.37 0.00 0.00 175.52 177.04