#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba1 s LYS 10 N 0.00 0.90 -0.13 5.31 2.20 -1.26 -5.05 119.74 121.71 2ba1 s LYS 10 Ca 0.00 -1.04 0.20 0.00 -0.36 0.00 0.00 55.97 54.77 2ba1 s LYS 10 Cb 0.00 -0.93 -0.28 0.00 -1.51 0.00 0.00 37.83 35.10 2ba1 s LYS 10 CO 0.00 0.20 0.23 1.28 -0.36 0.00 0.00 175.35 176.71 2ba1 n LEU 11 N 1.12 0.01 -3.99 5.43 4.77 -1.26 -4.85 117.00 118.23 2ba1 n LEU 11 Ca -0.20 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 2ba1 n LEU 11 Cb 0.54 0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.79 2ba1 n LEU 11 CO 0.22 0.31 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.53 2ba1 s ILE 12 N -2.88 1.84 -0.39 -0.08 -1.09 -1.26 -3.43 121.20 113.91 2ba1 s ILE 12 Ca -0.09 -1.51 0.01 0.00 -2.23 0.00 0.00 60.65 56.83 2ba1 s ILE 12 Cb 0.09 -2.08 0.11 0.00 -1.58 0.00 0.00 42.46 39.00 2ba1 s ILE 12 CO 0.86 -0.14 0.13 0.68 -1.23 0.00 0.00 174.94 175.25 2ba1 s VAL 13 N 1.23 2.72 -0.64 2.92 -7.23 -0.75 -4.77 120.40 113.88 2ba1 s VAL 13 Ca -0.05 -2.34 -0.01 0.00 -1.81 0.00 0.00 61.98 57.77 2ba1 s VAL 13 Cb -0.19 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 2ba1 s VAL 13 CO -0.06 -0.66 0.54 0.47 -0.31 0.00 0.00 175.10 175.08 2ba1 n ASP 14 N 4.26 -2.70 0.00 4.85 10.43 -1.26 -3.42 116.55 128.71 2ba1 n ASP 14 Ca 0.02 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.03 2ba1 n ASP 14 Cb 0.41 -3.06 0.00 0.00 1.84 0.00 0.00 41.12 40.31 2ba1 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ba1 n GLY 15 N -1.15 2.29 3.89 0.44 0.00 -1.26 -4.97 105.19 104.44 2ba1 n GLY 15 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2ba1 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ba1 s LEU 16 N 0.00 4.37 0.43 0.99 1.43 -1.22 -4.19 118.68 120.50 2ba1 s LEU 16 Ca 0.00 0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2ba1 s LEU 16 Cb 0.00 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2ba1 s LEU 16 CO 0.00 0.28 0.65 -0.13 0.23 0.00 0.00 176.35 177.39 2ba1 s ARG 17 N -1.74 3.18 0.45 1.70 0.52 -0.27 -1.81 118.95 120.98 2ba1 s ARG 17 Ca 0.25 -0.41 0.36 0.00 -0.52 0.00 0.00 55.73 55.42 2ba1 s ARG 17 Cb -0.13 -2.57 1.48 0.00 0.52 0.00 0.00 34.95 34.26 2ba1 s ARG 17 CO 0.16 -0.18 1.47 1.28 0.02 0.00 0.00 175.30 178.05 2ba1 n LEU 18 N -2.03 0.14 -1.18 2.53 4.32 -1.22 0.16 117.00 119.71 2ba1 n LEU 18 Ca 0.00 1.19 0.11 0.00 -0.02 0.00 0.00 56.01 57.29 2ba1 n LEU 18 Cb 0.57 -0.59 0.28 0.00 -1.62 0.00 0.00 43.42 42.06 2ba1 n LEU 18 CO 0.48 -1.27 0.74 -0.90 -1.22 0.00 0.00 177.39 175.22 2ba1 n ASP 19 N -4.35 3.44 0.00 -1.43 5.75 -1.26 -4.94 116.55 113.76 2ba1 n ASP 19 Ca 0.39 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2ba1 n ASP 19 Cb 1.62 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 2ba1 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ba1 n GLY 20 N 1.52 0.91 3.86 6.12 0.00 0.41 -5.06 105.19 112.96 2ba1 n GLY 20 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2ba1 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ba1 s ARG 21 N -0.48 3.35 0.43 1.61 0.52 -1.25 -4.61 118.95 118.51 2ba1 s ARG 21 Ca 0.00 0.76 -0.03 0.00 -0.52 0.00 0.00 55.73 55.94 2ba1 s ARG 21 Cb 0.00 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2ba1 s ARG 21 CO 0.00 -0.75 0.69 0.15 0.02 0.00 0.00 175.30 175.41 2ba1 s LYS 22 N -5.17 3.46 0.57 3.54 1.02 -1.26 -1.12 119.74 120.77 2ba1 s LYS 22 Ca 0.56 -0.07 0.30 0.00 0.02 0.00 0.00 55.97 56.79 2ba1 s LYS 22 Cb -0.12 -2.49 1.46 0.00 -0.52 0.00 0.00 37.83 36.15 2ba1 s LYS 22 CO 0.54 -0.10 1.86 0.27 -0.92 0.00 0.00 175.35 177.01 2ba1 h PHE 23 N 0.42 0.00 -0.55 3.18 -0.00 -1.88 -2.16 116.94 115.95 2ba1 h PHE 23 Ca -0.48 0.00 -0.35 0.00 -0.00 0.00 0.00 57.97 57.14 2ba1 h PHE 23 Cb 1.22 0.00 -0.22 0.00 -0.00 0.00 0.00 35.95 36.95 2ba1 h PHE 23 CO 0.54 0.00 -0.16 -0.40 -0.00 0.00 0.00 178.31 178.29 2ba1 n ASP 24 N -3.95 3.86 -4.33 -0.68 5.75 -1.26 0.37 116.55 116.30 2ba1 n ASP 24 Ca 0.14 -3.79 -0.34 0.00 -0.01 0.00 0.00 54.79 50.79 2ba1 n ASP 24 Cb 0.86 -0.61 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 2ba1 n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ba1 s GLU 25 N -3.43 3.39 0.77 0.11 2.02 -0.81 -4.91 118.70 115.83 2ba1 s GLU 25 Ca 0.49 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.72 2ba1 s GLU 25 Cb 0.42 -2.88 0.06 0.00 0.10 0.00 0.00 34.13 31.83 2ba1 s GLU 25 CO 0.00 -0.05 1.13 -0.51 0.02 0.00 0.00 175.26 175.86 2ba1 s LEU 26 N 1.07 3.14 0.76 1.80 1.43 -1.26 -4.70 118.68 120.92 2ba1 s LEU 26 Ca 0.00 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 2ba1 s LEU 26 Cb -0.15 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.58 2ba1 s LEU 26 CO -0.01 -2.22 1.12 -0.13 0.23 0.00 0.00 176.35 175.35 2ba1 s ARG 27 N -4.44 2.22 0.25 1.70 0.52 -1.26 -4.95 118.95 112.98 2ba1 s ARG 27 Ca 0.67 0.10 -0.31 0.00 -0.52 0.00 0.00 55.73 55.66 2ba1 s ARG 27 Cb -0.22 -2.02 -0.12 0.00 0.52 0.00 0.00 34.95 33.11 2ba1 s ARG 27 CO 0.51 -1.38 1.59 -0.35 0.02 0.00 0.00 175.30 175.68 2ba1 n PRO 28 N -3.15 2.53 -4.66 3.54 -0.04 -1.26 -4.57 135.00 127.39 2ba1 n PRO 28 Ca 0.08 0.90 -0.30 0.00 -0.04 0.00 0.00 63.50 64.14 2ba1 n PRO 28 Cb 0.60 -2.68 -0.13 0.00 -0.04 0.00 0.00 33.50 31.25 2ba1 n PRO 28 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ba1 s ILE 29 N 0.40 2.48 -0.07 0.52 1.01 -1.26 -1.71 121.20 122.58 2ba1 s ILE 29 Ca 0.69 -1.40 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2ba1 s ILE 29 Cb -0.55 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 39.92 2ba1 s ILE 29 CO 0.43 0.28 0.14 -0.75 0.00 0.00 0.00 174.94 175.04 2ba1 s LYS 30 N -1.56 0.07 -0.04 2.79 2.20 -0.85 -4.97 119.74 117.39 2ba1 s LYS 30 Ca 0.14 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 2ba1 s LYS 30 Cb -0.10 -0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.04 2ba1 s LYS 30 CO 0.05 -0.19 -0.01 0.42 -0.36 0.00 0.00 175.35 175.25 2ba1 s ILE 31 N 1.36 0.32 -0.08 5.43 1.01 -1.26 -0.90 121.20 127.08 2ba1 s ILE 31 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2ba1 s ILE 31 Cb -0.12 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 41.97 2ba1 s ILE 31 CO -0.06 0.19 -0.07 -0.70 0.00 0.00 0.00 174.94 174.31 2ba1 s GLU 32 N 1.19 1.25 0.56 2.79 2.56 -0.17 -4.66 118.70 122.21 2ba1 s GLU 32 Ca -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.97 54.68 2ba1 s GLU 32 Cb -0.14 -1.24 0.02 0.00 2.00 0.00 0.00 34.13 34.77 2ba1 s GLU 32 CO -0.02 -0.14 0.82 0.00 -0.56 0.00 0.00 175.26 175.36 2ba1 s ALA 33 N 1.25 3.60 -0.84 6.30 0.00 -1.26 -0.66 121.76 130.15 2ba1 s ALA 33 Ca -0.05 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2ba1 s ALA 33 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2ba1 s ALA 33 CO -0.02 -0.76 0.62 0.43 0.00 0.00 0.00 175.76 176.03 2ba1 n SER 34 N -2.43 -5.20 -0.01 0.00 7.64 -0.80 -4.91 113.62 107.91 2ba1 n SER 34 Ca 0.05 -0.87 0.07 0.00 1.01 0.00 0.00 58.87 59.14 2ba1 n SER 34 Cb 0.59 -2.15 -0.11 0.00 -1.01 0.00 0.00 64.21 61.52 2ba1 n SER 34 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2ba1 n VAL 35 N -2.64 0.00 -4.73 0.44 3.14 -1.26 -4.96 118.33 108.33 2ba1 n VAL 35 Ca -0.27 -0.33 -0.33 0.00 -2.96 0.00 0.00 64.34 60.45 2ba1 n VAL 35 Cb 0.66 0.21 -0.12 0.00 -1.06 0.00 0.00 33.84 33.54 2ba1 n VAL 35 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2ba1 s LEU 36 N -3.94 2.92 -0.09 6.55 1.43 -1.26 -5.07 118.68 119.22 2ba1 s LEU 36 Ca -0.05 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2ba1 s LEU 36 Cb 0.10 -1.63 -0.28 0.00 0.03 0.00 0.00 46.19 44.40 2ba1 s LEU 36 CO 0.61 0.34 0.77 0.50 0.23 0.00 0.00 176.35 178.80 2ba1 h LYS 37 N 5.13 0.18 -4.18 1.70 3.64 -1.99 -3.40 116.57 117.64 2ba1 h LYS 37 Ca -0.48 -0.30 -0.76 0.00 -1.27 0.00 0.00 60.65 57.84 2ba1 h LYS 37 Cb 1.16 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.88 2ba1 h LYS 37 CO 0.51 1.15 1.09 0.54 -2.27 0.00 0.00 179.45 180.47 2ba1 n ARG 38 N -4.28 3.50 -3.64 1.90 5.12 -1.26 -4.85 116.66 113.15 2ba1 n ARG 38 Ca -0.15 -4.06 -0.04 0.00 -1.93 0.00 0.00 57.85 51.67 2ba1 n ARG 38 Cb 0.71 -2.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.10 2ba1 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ba1 s ALA 39 N 0.34 -2.15 0.25 7.54 0.00 -1.26 -5.05 121.76 121.43 2ba1 s ALA 39 Ca 0.38 1.74 0.18 0.00 0.00 0.00 0.00 51.96 54.26 2ba1 s ALA 39 Cb -0.04 -1.62 0.75 0.00 0.00 0.00 0.00 23.12 22.21 2ba1 s ALA 39 CO -0.02 -0.16 1.78 -0.44 0.00 0.00 0.00 175.76 176.93 2ba1 h ASP 40 N 3.11 0.00 -5.04 0.00 3.32 -1.70 -3.45 116.42 112.66 2ba1 h ASP 40 Ca -0.24 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 2ba1 h ASP 40 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 2ba1 h ASP 40 CO 0.18 0.37 0.05 -0.83 -1.72 0.00 0.00 179.24 177.29 2ba1 s GLY 41 N -4.34 -0.43 0.05 2.75 0.00 -1.09 -3.86 107.32 100.40 2ba1 s GLY 41 Ca -0.01 0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.63 2ba1 s GLY 41 CO 0.69 -0.10 1.04 -1.35 0.00 0.00 0.00 173.10 173.38 2ba1 s SER 42 N -2.77 -0.19 -0.27 1.64 1.04 -1.25 -1.98 113.70 109.92 2ba1 s SER 42 Ca 0.02 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 2ba1 s SER 42 Cb 0.01 0.36 0.08 0.00 0.10 0.00 0.00 66.02 66.57 2ba1 s SER 42 CO -0.12 -0.65 0.78 0.00 0.98 0.00 0.00 173.24 174.23 2ba1 s TYR 44 N 0.36 3.01 0.06 0.00 5.04 0.17 -1.11 117.35 124.87 2ba1 s TYR 44 Ca 0.01 -0.34 0.03 0.00 -2.44 0.00 0.00 57.07 54.33 2ba1 s TYR 44 Cb -0.05 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 2ba1 s TYR 44 CO -0.01 -0.06 -0.10 -1.17 -1.34 0.00 0.00 175.55 172.87 2ba1 s LEU 45 N 0.40 2.29 -0.14 6.97 1.98 0.33 -1.00 118.68 129.50 2ba1 s LEU 45 Ca -0.04 -0.61 -0.04 0.00 -2.89 0.00 0.00 54.13 50.54 2ba1 s LEU 45 Cb -0.14 -0.30 0.05 0.00 0.66 0.00 0.00 46.19 46.46 2ba1 s LEU 45 CO 0.03 -0.17 0.07 -1.61 -1.89 0.00 0.00 176.35 172.78 2ba1 s GLU 46 N -1.83 0.12 -0.33 1.98 2.02 -0.08 -1.32 118.70 119.26 2ba1 s GLU 46 Ca -0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.90 2ba1 s GLU 46 Cb -0.09 -1.54 0.06 0.00 0.10 0.00 0.00 34.13 32.65 2ba1 s GLU 46 CO 0.01 -0.58 0.06 -1.64 0.02 0.00 0.00 175.26 173.13 2ba1 s MET 47 N 2.11 2.42 4.25 1.61 -1.94 -0.43 -2.00 119.30 125.31 2ba1 s MET 47 Ca 0.02 -1.32 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 2ba1 s MET 47 Cb -0.15 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.37 2ba1 s MET 47 CO -0.07 -0.70 0.00 0.41 -0.01 0.00 0.00 175.02 174.65 2ba1 n GLY 48 N 4.67 1.98 0.00 -0.03 0.00 -0.69 0.39 105.19 111.51 2ba1 n GLY 48 Ca -0.11 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.52 2ba1 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ba1 n LYS 49 N 7.99 0.52 -2.53 1.61 4.76 -1.26 -4.74 118.16 124.51 2ba1 n LYS 49 Ca 0.00 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 2ba1 n LYS 49 Cb 0.00 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 2ba1 n LYS 49 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2ba1 s ASN 50 N -1.91 7.05 -0.24 4.39 0.01 0.16 -4.51 114.94 119.89 2ba1 s ASN 50 Ca 0.21 1.61 -0.02 0.00 -0.71 0.00 0.00 52.86 53.95 2ba1 s ASN 50 Cb 0.10 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.23 2ba1 s ASN 50 CO 0.16 -0.66 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.48 2ba1 s LYS 51 N 2.95 2.92 0.03 -0.60 1.02 0.22 -1.32 119.74 124.97 2ba1 s LYS 51 Ca 0.51 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.60 2ba1 s LYS 51 Cb -0.20 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2ba1 s LYS 51 CO 0.14 -0.35 -0.07 0.08 -0.92 0.00 0.00 175.35 174.22 2ba1 s VAL 52 N 1.34 0.51 -0.00 3.17 1.01 -0.44 -0.02 120.40 125.97 2ba1 s VAL 52 Ca 0.01 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2ba1 s VAL 52 Cb -0.16 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 2ba1 s VAL 52 CO -0.05 -0.31 -0.04 -0.51 0.00 0.00 0.00 175.10 174.19 2ba1 s ILE 53 N -1.20 0.30 0.15 2.22 2.07 -0.50 -0.51 121.20 123.72 2ba1 s ILE 53 Ca -0.08 -0.15 0.10 0.00 -1.41 0.00 0.00 60.65 59.10 2ba1 s ILE 53 Cb -0.09 -0.26 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 2ba1 s ILE 53 CO 0.00 0.09 -0.23 0.00 -1.91 0.00 0.00 174.94 172.89 2ba1 s ALA 54 N -0.05 2.26 -0.00 1.50 0.00 -0.27 -0.87 121.76 124.33 2ba1 s ALA 54 Ca 0.01 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2ba1 s ALA 54 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2ba1 s ALA 54 CO -0.00 0.41 -0.02 0.00 0.00 0.00 0.00 175.76 176.16 2ba1 s ALA 55 N -1.47 0.16 -0.10 0.00 0.00 0.11 -1.97 121.76 118.49 2ba1 s ALA 55 Ca 0.15 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2ba1 s ALA 55 Cb -0.08 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2ba1 s ALA 55 CO 0.07 0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.75 2ba1 s VAL 56 N 0.06 1.67 -0.75 0.00 1.01 -0.84 -0.63 120.40 120.94 2ba1 s VAL 56 Ca -0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2ba1 s VAL 56 Cb -0.02 -1.48 0.19 0.00 0.00 0.00 0.00 36.38 35.07 2ba1 s VAL 56 CO -0.00 0.47 0.61 -0.36 0.00 0.00 0.00 175.10 175.82 2ba1 s PHE 57 N 0.61 3.61 0.07 5.22 0.40 -0.49 -1.87 117.98 125.54 2ba1 s PHE 57 Ca -0.14 -2.63 -0.02 0.00 -0.60 0.00 0.00 56.93 53.54 2ba1 s PHE 57 Cb -0.16 -3.37 -0.01 0.00 0.51 0.00 0.00 43.02 39.99 2ba1 s PHE 57 CO 0.04 -0.85 -0.10 0.41 0.70 0.00 0.00 175.22 175.42 2ba1 n GLY 58 N 3.30 -0.20 3.44 4.36 0.00 -1.26 -3.41 105.19 111.41 2ba1 n GLY 58 Ca 0.13 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 2ba1 n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ba1 n PRO 59 N 0.18 0.51 -4.49 1.61 -0.04 -1.26 -4.65 135.00 126.86 2ba1 n PRO 59 Ca -0.00 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 2ba1 n PRO 59 Cb 0.05 -2.13 -0.11 0.00 -0.04 0.00 0.00 33.50 31.27 2ba1 n PRO 59 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ba1 s ARG 60 N 7.43 1.73 -0.09 0.54 1.70 -0.10 -4.87 118.95 125.29 2ba1 s ARG 60 Ca 1.18 -1.97 -0.30 0.00 -0.47 0.00 0.00 55.73 54.18 2ba1 s ARG 60 Cb -1.00 -1.06 -0.02 0.00 -0.57 0.00 0.00 34.95 32.31 2ba1 s ARG 60 CO 0.48 -0.16 1.03 -1.21 -1.08 0.00 0.00 175.30 174.36 2ba1 s GLU 61 N -3.85 4.43 -0.10 3.89 2.02 -1.26 0.51 118.70 124.33 2ba1 s GLU 61 Ca 0.36 1.43 -0.28 0.00 0.02 0.00 0.00 54.97 56.50 2ba1 s GLU 61 Cb 0.09 -3.53 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 2ba1 s GLU 61 CO 0.16 -0.30 0.94 0.54 0.02 0.00 0.00 175.26 176.61 2ba1 s VAL 62 N 1.93 4.84 -0.01 2.63 0.11 -1.26 -4.86 120.40 123.79 2ba1 s VAL 62 Ca 0.50 1.90 -0.04 0.00 -2.93 0.00 0.00 61.98 61.41 2ba1 s VAL 62 Cb -0.19 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.39 2ba1 s VAL 62 CO 0.19 0.05 0.53 0.45 -3.33 0.00 0.00 175.10 172.99 2ba1 h HIS 63 N 7.09 -0.13 -1.28 1.54 -0.00 -1.95 -3.41 115.15 117.00 2ba1 h HIS 63 Ca -0.33 -0.00 -0.44 0.00 -0.00 0.00 0.00 60.37 59.60 2ba1 h HIS 63 Cb 1.16 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 2ba1 h HIS 63 CO 0.70 -0.08 1.57 -0.35 -0.00 0.00 0.00 177.93 179.77 2ba1 n PRO 64 N -2.70 0.85 -0.23 2.45 -0.04 -1.26 -4.76 135.00 129.31 2ba1 n PRO 64 Ca -0.02 -0.06 0.31 0.00 -0.04 0.00 0.00 63.50 63.70 2ba1 n PRO 64 Cb 0.06 -3.16 0.63 0.00 -0.04 0.00 0.00 33.50 30.99 2ba1 n PRO 64 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2ba1 h ARG 65 N 18.08 0.00 0.00 0.54 2.43 -1.98 0.48 114.38 133.93 2ba1 h ARG 65 Ca -0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2ba1 h ARG 65 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2ba1 h ARG 65 CO 1.19 0.00 0.00 -2.39 -1.51 0.00 0.00 179.97 177.26 2ba1 n HIS 66 N -3.62 0.18 1.02 2.20 1.44 -1.26 -2.06 115.22 113.11 2ba1 n HIS 66 Ca 0.23 0.07 0.11 0.00 -2.01 0.00 0.00 57.72 56.11 2ba1 n HIS 66 Cb 1.33 -0.61 -0.01 0.00 0.12 0.00 0.00 29.99 30.82 2ba1 n HIS 66 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ba1 n LEU 67 N -1.66 1.23 -4.70 2.39 4.77 0.16 -4.94 117.00 114.24 2ba1 n LEU 67 Ca 0.04 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 2ba1 n LEU 67 Cb 0.21 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 2ba1 n LEU 67 CO 0.17 0.27 1.00 -1.58 -1.33 0.00 0.00 177.39 175.91 2ba1 s GLN 68 N -2.82 4.36 -0.24 3.23 0.74 -0.88 -4.92 119.66 119.12 2ba1 s GLN 68 Ca 0.12 1.89 -0.09 0.00 0.05 0.00 0.00 55.36 57.33 2ba1 s GLN 68 Cb 0.17 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 2ba1 s GLN 68 CO 0.74 -0.40 0.11 0.34 -0.55 0.00 0.00 175.29 175.53 2ba1 s ASP 69 N 1.33 5.55 0.60 6.67 -1.08 -1.26 -4.96 116.67 123.51 2ba1 s ASP 69 Ca 0.61 -0.07 0.33 0.00 -0.52 0.00 0.00 52.55 52.90 2ba1 s ASP 69 Cb -0.31 -2.00 1.91 0.00 -1.46 0.00 0.00 42.92 41.06 2ba1 s ASP 69 CO 0.28 0.02 2.25 1.55 0.52 0.00 0.00 175.17 179.79 2ba1 h PRO 70 N 7.88 0.00 0.00 4.34 0.13 -1.95 0.32 132.00 142.71 2ba1 h PRO 70 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 2ba1 h PRO 70 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2ba1 h PRO 70 CO 0.60 0.02 -1.94 -1.13 -0.23 0.00 0.00 178.00 175.32 2ba1 n SER 71 N -3.62 2.12 -4.06 1.44 3.41 -1.26 -4.54 113.62 107.12 2ba1 n SER 71 Ca -0.03 -0.04 -0.09 0.00 -0.26 0.00 0.00 58.87 58.46 2ba1 n SER 71 Cb 0.11 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 2ba1 n SER 71 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2ba1 s LYS 72 N -2.33 0.51 0.67 4.33 -2.85 -1.24 -4.16 119.74 114.67 2ba1 s LYS 72 Ca -0.13 -0.95 -0.16 0.00 -1.00 0.00 0.00 55.97 53.73 2ba1 s LYS 72 Cb 0.05 0.06 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2ba1 s LYS 72 CO 0.48 -0.06 1.16 0.00 0.10 0.00 0.00 175.35 177.04 2ba1 s ALA 73 N -2.66 2.35 -0.02 0.59 0.00 -0.43 -4.02 121.76 117.57 2ba1 s ALA 73 Ca -0.03 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 2ba1 s ALA 73 Cb -0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2ba1 s ALA 73 CO -0.05 -1.47 0.11 0.96 0.00 0.00 0.00 175.76 175.32 2ba1 s ILE 74 N -2.06 5.00 -0.13 0.00 -4.36 -0.63 -4.89 121.20 114.14 2ba1 s ILE 74 Ca 0.72 -0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.83 2ba1 s ILE 74 Cb -0.25 -3.28 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 2ba1 s ILE 74 CO 0.41 0.38 -0.08 -0.63 0.24 0.00 0.00 174.94 175.26 2ba1 s ILE 75 N -1.20 3.50 0.00 8.37 -1.09 -1.26 -1.45 121.20 128.07 2ba1 s ILE 75 Ca 0.23 -0.51 0.07 0.00 -2.23 0.00 0.00 60.65 58.21 2ba1 s ILE 75 Cb -0.12 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 2ba1 s ILE 75 CO 0.14 0.53 -0.22 -0.13 -1.23 0.00 0.00 174.94 174.02 2ba1 s ARG 76 N 0.13 1.70 -0.02 2.79 0.52 -0.87 -4.99 118.95 118.21 2ba1 s ARG 76 Ca -0.04 -0.86 -0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2ba1 s ARG 76 Cb -0.14 -1.71 0.03 0.00 0.52 0.00 0.00 34.95 33.65 2ba1 s ARG 76 CO 0.04 0.46 0.03 -0.47 0.02 0.00 0.00 175.30 175.38 2ba1 s TYR 77 N -0.61 0.03 -0.19 -0.53 5.04 -1.26 -0.08 117.35 119.75 2ba1 s TYR 77 Ca 0.09 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2ba1 s TYR 77 Cb -0.09 -0.24 0.04 0.00 0.35 0.00 0.00 41.96 42.03 2ba1 s TYR 77 CO 0.00 -0.09 -0.07 0.50 -1.34 0.00 0.00 175.55 174.55 2ba1 s ARG 78 N 1.07 1.63 -0.06 4.97 3.52 -0.03 -4.68 118.95 125.37 2ba1 s ARG 78 Ca -0.09 -0.68 -0.15 0.00 -0.13 0.00 0.00 55.73 54.68 2ba1 s ARG 78 Cb -0.13 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.00 2ba1 s ARG 78 CO -0.03 -0.46 0.41 -0.47 -0.81 0.00 0.00 175.30 173.94 2ba1 s TYR 79 N 1.53 3.63 -0.18 5.12 5.04 -1.26 -1.67 117.35 129.57 2ba1 s TYR 79 Ca -0.01 0.90 -0.12 0.00 -2.44 0.00 0.00 57.07 55.40 2ba1 s TYR 79 Cb -0.16 -2.36 0.05 0.00 0.35 0.00 0.00 41.96 39.84 2ba1 s TYR 79 CO -0.08 0.46 0.45 1.21 -1.34 0.00 0.00 175.55 176.25 2ba1 s ASN 80 N -0.39 -0.54 -0.15 4.32 2.47 -1.02 -4.82 114.94 114.82 2ba1 s ASN 80 Ca 0.23 0.96 -0.06 0.00 0.42 0.00 0.00 52.86 54.41 2ba1 s ASN 80 Cb -0.16 0.89 -0.04 0.00 -1.45 0.00 0.00 41.25 40.49 2ba1 s ASN 80 CO 0.11 -0.18 0.07 -0.04 -3.72 0.00 0.00 177.10 173.33 2ba1 s MET 81 N 0.95 3.62 0.29 0.43 -1.94 -1.26 -2.02 119.30 119.38 2ba1 s MET 81 Ca -0.06 -0.30 -0.29 0.00 -1.71 0.00 0.00 55.69 53.33 2ba1 s MET 81 Cb -0.06 -3.11 -0.10 0.00 2.01 0.00 0.00 34.83 33.57 2ba1 s MET 81 CO -0.08 0.50 1.30 0.00 -0.01 0.00 0.00 175.02 176.72 2ba1 s ALA 82 N -0.26 3.51 0.61 3.03 0.00 -0.92 -4.87 121.76 122.86 2ba1 s ALA 82 Ca 0.08 1.20 0.27 0.00 0.00 0.00 0.00 51.96 53.52 2ba1 s ALA 82 Cb -0.12 -3.47 1.37 0.00 0.00 0.00 0.00 23.12 20.90 2ba1 s ALA 82 CO 0.01 -0.58 1.78 -1.00 0.00 0.00 0.00 175.76 175.98 2ba1 h PRO 83 N 3.98 0.00 -0.62 0.00 0.13 -1.92 0.99 132.00 134.56 2ba1 h PRO 83 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ba1 h PRO 83 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2ba1 h PRO 83 CO 0.69 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.43 2ba1 n PHE 84 N -3.44 1.23 0.89 1.56 -1.74 -1.26 -2.39 117.46 112.31 2ba1 n PHE 84 Ca 0.08 -0.59 0.12 0.00 -0.56 0.00 0.00 57.45 56.51 2ba1 n PHE 84 Cb 0.75 -0.16 0.23 0.00 1.52 0.00 0.00 39.48 41.81 2ba1 n PHE 84 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2ba1 n SER 85 N 1.12 0.53 -4.64 5.98 3.41 0.34 -4.88 113.62 115.49 2ba1 n SER 85 Ca 0.24 -0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.46 2ba1 n SER 85 Cb 0.78 0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2ba1 n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2ba1 s VAL 86 N -3.04 3.18 0.29 -3.33 -7.23 -1.26 -0.48 120.40 108.53 2ba1 s VAL 86 Ca 0.10 -1.94 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 2ba1 s VAL 86 Cb 0.17 -2.80 0.27 0.00 0.56 0.00 0.00 36.38 34.57 2ba1 s VAL 86 CO 0.71 -0.33 1.93 -0.08 -0.31 0.00 0.00 175.10 177.02 2ba1 h GLU 87 N 1.87 1.12 -4.58 4.82 4.81 -1.91 -3.36 114.58 117.36 2ba1 h GLU 87 Ca -0.44 -0.07 -0.71 0.00 -0.13 0.00 0.00 59.36 58.02 2ba1 h GLU 87 Cb 1.25 -0.25 -0.27 0.00 0.63 0.00 0.00 28.75 30.11 2ba1 h GLU 87 CO 0.62 0.74 -0.53 -1.21 -0.73 0.00 0.00 179.01 177.89 2ba1 s GLU 88 N -5.98 2.68 -0.83 1.92 0.41 -1.26 -5.00 118.70 110.64 2ba1 s GLU 88 Ca -0.12 -1.23 -0.25 0.00 -0.41 0.00 0.00 54.97 52.96 2ba1 s GLU 88 Cb 0.19 -3.65 -0.19 0.00 -1.78 0.00 0.00 34.13 28.70 2ba1 s GLU 88 CO 0.80 -0.76 2.22 -2.13 -0.49 0.00 0.00 175.26 174.90 2ba1 n ARG 89 N 4.91 0.00 -1.52 1.61 0.00 -1.26 -4.86 116.66 115.54 2ba1 n ARG 89 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.41 2ba1 n ARG 89 Cb 0.45 -1.23 0.07 0.00 0.00 0.00 0.00 32.46 31.75 2ba1 n ARG 89 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2ba1 s LYS 90 N 7.41 2.53 -0.16 -0.14 2.20 -1.00 -5.01 119.74 125.56 2ba1 s LYS 90 Ca 1.13 1.31 -0.16 0.00 -0.36 0.00 0.00 55.97 57.89 2ba1 s LYS 90 Cb -1.03 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 2ba1 s LYS 90 CO 0.41 -1.45 0.40 -0.98 -0.36 0.00 0.00 175.35 173.37 2ba1 s ARG 91 N -4.43 4.26 0.94 4.03 1.70 -1.26 -4.48 118.95 119.70 2ba1 s ARG 91 Ca 0.65 0.27 -0.12 0.00 -0.47 0.00 0.00 55.73 56.05 2ba1 s ARG 91 Cb -0.19 -3.47 0.05 0.00 -0.57 0.00 0.00 34.95 30.77 2ba1 s ARG 91 CO 0.48 0.11 0.55 -0.35 -1.08 0.00 0.00 175.30 175.01 2ba1 n PRO 92 N 3.94 -0.29 0.00 3.89 -0.04 -1.26 -4.91 135.00 136.32 2ba1 n PRO 92 Ca -0.09 -0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2ba1 n PRO 92 Cb 0.51 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2ba1 n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ba1 n GLY 93 N 1.27 3.00 3.39 0.55 0.00 -1.26 -5.04 105.19 107.10 2ba1 n GLY 93 Ca 0.08 -1.42 -0.54 0.00 0.00 0.00 0.00 46.02 44.14 2ba1 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ba1 n PRO 94 N 1.11 0.00 -4.13 1.61 -0.04 -1.26 -4.98 135.00 127.31 2ba1 n PRO 94 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2ba1 n PRO 94 Cb 0.00 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 2ba1 n PRO 94 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ba1 s ASP 95 N -0.37 5.36 0.10 3.54 3.68 -1.26 -4.95 116.67 122.77 2ba1 s ASP 95 Ca 0.79 -0.33 -0.18 0.00 2.13 0.00 0.00 52.55 54.96 2ba1 s ASP 95 Cb -1.12 -1.30 -0.06 0.00 -1.45 0.00 0.00 42.92 38.99 2ba1 s ASP 95 CO 0.55 -0.05 1.62 0.03 0.13 0.00 0.00 175.17 177.46 2ba1 h ARG 96 N 1.54 0.42 -0.50 4.34 2.47 -1.99 0.38 114.38 121.05 2ba1 h ARG 96 Ca -0.48 -0.09 0.05 0.00 -1.26 0.00 0.00 59.98 58.21 2ba1 h ARG 96 Cb 1.24 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.45 2ba1 h ARG 96 CO 0.61 0.48 0.22 -0.09 0.56 0.00 0.00 179.97 181.75 2ba1 h ARG 97 N 0.28 0.42 0.02 0.04 2.43 -1.99 -0.49 114.38 115.10 2ba1 h ARG 97 Ca 0.09 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2ba1 h ARG 97 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2ba1 h ARG 97 CO -0.00 0.28 -0.01 0.77 -1.51 0.00 0.00 179.97 179.50 2ba1 h SER 98 N 0.44 -0.02 -0.69 -3.80 0.02 -1.74 0.86 113.55 108.62 2ba1 h SER 98 Ca 0.23 -0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 2ba1 h SER 98 Cb 0.18 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 2ba1 h SER 98 CO -0.19 0.03 0.36 0.40 -1.14 0.00 0.00 176.83 176.29 2ba1 h ILE 99 N -0.08 0.89 -0.06 3.27 1.08 0.07 0.17 117.51 122.84 2ba1 h ILE 99 Ca -0.00 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2ba1 h ILE 99 Cb 0.07 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2ba1 h ILE 99 CO 0.00 0.11 0.03 -0.08 -0.69 0.00 0.00 178.15 177.53 2ba1 h GLU 100 N 0.63 0.09 -0.93 2.37 4.22 -0.85 -1.55 114.58 118.56 2ba1 h GLU 100 Ca 0.33 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.80 2ba1 h GLU 100 Cb 0.30 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2ba1 h GLU 100 CO -0.24 0.18 0.61 0.82 -2.18 0.00 0.00 179.01 178.19 2ba1 h ILE 101 N -0.02 1.12 -0.36 2.32 1.08 -0.30 -1.56 117.51 119.79 2ba1 h ILE 101 Ca 0.02 -0.39 -0.15 0.00 -0.39 0.00 0.00 64.86 63.96 2ba1 h ILE 101 Cb 0.12 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.76 2ba1 h ILE 101 CO -0.00 0.20 -0.36 0.28 -0.69 0.00 0.00 178.15 177.58 2ba1 h SER 102 N 1.12 0.90 0.07 1.72 0.02 -0.73 -0.58 113.55 116.07 2ba1 h SER 102 Ca 0.38 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ba1 h SER 102 Cb 0.08 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2ba1 h SER 102 CO -0.13 1.16 -0.03 0.50 -1.14 0.00 0.00 176.83 177.19 2ba1 h LYS 103 N 0.70 -0.09 -0.23 3.45 3.64 -0.79 0.37 116.57 123.61 2ba1 h LYS 103 Ca 0.06 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 2ba1 h LYS 103 Cb 0.93 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2ba1 h LYS 103 CO 0.09 0.25 -0.15 -0.24 -2.27 0.00 0.00 179.45 177.12 2ba1 h VAL 104 N -0.44 1.22 -0.08 2.00 3.04 -1.34 -1.20 116.25 119.44 2ba1 h VAL 104 Ca -0.01 -1.00 -0.14 0.00 -1.01 0.00 0.00 66.70 64.54 2ba1 h VAL 104 Cb 0.39 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2ba1 h VAL 104 CO 0.02 0.32 -0.58 0.28 -1.01 0.00 0.00 177.57 176.60 2ba1 h SER 105 N 0.36 0.30 -0.29 3.17 0.02 -1.01 -2.29 113.55 113.82 2ba1 h SER 105 Ca 0.07 -0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 60.70 2ba1 h SER 105 Cb 0.49 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2ba1 h SER 105 CO 0.03 0.82 -0.38 0.50 -1.14 0.00 0.00 176.83 176.66 2ba1 h LYS 106 N 0.20 0.83 -0.68 3.45 3.64 -0.46 -3.07 116.57 120.48 2ba1 h LYS 106 Ca -0.00 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 2ba1 h LYS 106 Cb 1.08 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 2ba1 h LYS 106 CO 0.09 1.07 0.12 0.93 -2.27 0.00 0.00 179.45 179.39 2ba1 h GLU 107 N 0.68 1.12 -0.47 1.90 5.08 -1.08 0.29 114.58 122.11 2ba1 h GLU 107 Ca 0.06 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2ba1 h GLU 107 Cb 0.95 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2ba1 h GLU 107 CO 0.09 1.02 0.31 0.00 -1.00 0.00 0.00 179.01 179.43 2ba1 h ALA 108 N 1.07 1.88 0.00 3.43 0.00 -1.33 -2.52 119.26 121.78 2ba1 h ALA 108 Ca 0.21 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.82 2ba1 h ALA 108 Cb 0.43 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2ba1 h ALA 108 CO 0.01 0.05 -1.63 0.74 0.00 0.00 0.00 179.25 178.42 2ba1 h PHE 109 N 0.44 0.00 0.00 0.00 -1.00 -1.34 -3.32 116.94 111.72 2ba1 h PHE 109 Ca 0.20 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 2ba1 h PHE 109 Cb 0.23 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.79 2ba1 h PHE 109 CO -0.00 0.99 -0.01 0.93 -1.61 0.00 0.00 178.31 178.61 2ba1 h GLU 110 N 0.00 0.00 0.00 1.51 5.08 -0.55 0.13 114.58 120.75 2ba1 h GLU 110 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2ba1 h GLU 110 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2ba1 h GLU 110 CO 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 2ba1 n ALA 111 N -2.45 2.17 0.00 3.43 0.00 -1.00 -4.31 120.51 118.35 2ba1 n ALA 111 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ba1 n ALA 111 Cb 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2ba1 n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ba1 n VAL 112 N -1.45 0.00 -1.68 0.00 0.31 -0.21 -4.95 118.33 110.35 2ba1 n VAL 112 Ca 0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 2ba1 n VAL 112 Cb 0.27 -0.82 -0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2ba1 n VAL 112 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2ba1 n ILE 113 N -2.57 2.08 -2.81 2.52 -0.00 0.28 -1.94 119.36 116.93 2ba1 n ILE 113 Ca 0.00 -0.50 -0.44 0.00 -0.00 0.00 0.00 62.75 61.81 2ba1 n ILE 113 Cb 0.37 -1.50 0.00 0.00 -0.00 0.00 0.00 39.64 38.51 2ba1 n ILE 113 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 176.55 176.78 2ba1 n MET 114 N 0.49 3.41 0.20 0.38 2.81 -0.36 -4.83 117.12 119.22 2ba1 n MET 114 Ca 0.06 -3.77 0.04 0.00 -1.81 0.00 0.00 57.70 52.22 2ba1 n MET 114 Cb 0.36 -3.03 0.43 0.00 -0.71 0.00 0.00 33.22 30.27 2ba1 n MET 114 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2ba1 h LYS 115 N 6.86 0.00 0.00 0.03 2.10 -1.88 -2.96 116.57 120.72 2ba1 h LYS 115 Ca 0.34 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2ba1 h LYS 115 Cb 0.82 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2ba1 h LYS 115 CO 1.33 0.28 0.00 -0.85 -2.00 0.00 0.00 179.45 178.21 2ba1 n GLU 116 N -4.21 0.17 0.04 0.07 0.00 -1.26 -1.31 120.64 114.14 2ba1 n GLU 116 Ca -0.02 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.35 2ba1 n GLU 116 Cb 0.32 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.49 2ba1 n GLU 116 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ba1 n LEU 117 N -1.11 0.60 -3.40 -1.84 4.77 -1.12 -4.54 117.00 110.35 2ba1 n LEU 117 Ca 0.04 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.94 2ba1 n LEU 117 Cb 0.04 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 2ba1 n LEU 117 CO 0.04 0.00 -0.28 0.49 -1.33 0.00 0.00 177.39 176.31 2ba1 n PHE 118 N -1.89 -0.35 -2.08 -1.77 3.01 -0.65 -5.04 117.46 108.69 2ba1 n PHE 118 Ca 0.04 -3.46 -0.39 0.00 1.01 0.00 0.00 57.45 54.65 2ba1 n PHE 118 Cb 0.40 0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2ba1 n PHE 118 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2ba1 s PRO 119 N -0.35 3.92 0.00 -1.08 0.02 -1.26 -1.64 135.00 134.61 2ba1 s PRO 119 Ca 0.33 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2ba1 s PRO 119 Cb 0.06 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.87 2ba1 s PRO 119 CO -0.18 -0.51 0.00 0.54 -0.33 0.00 0.00 177.00 176.52 2ba1 n ARG 120 N 0.03 -0.19 -3.01 5.54 1.74 0.11 -4.85 116.66 116.03 2ba1 n ARG 120 Ca 0.04 0.05 -0.20 0.00 -0.77 0.00 0.00 57.85 56.97 2ba1 n ARG 120 Cb 0.44 -3.47 0.07 0.00 -1.02 0.00 0.00 32.46 28.48 2ba1 n ARG 120 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ba1 s SER 121 N -2.44 5.01 -0.03 0.55 0.01 -1.12 -4.06 113.70 111.62 2ba1 s SER 121 Ca 0.00 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.39 2ba1 s SER 121 Cb 0.00 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2ba1 s SER 121 CO 0.00 -1.42 0.07 0.00 0.41 0.00 0.00 173.24 172.30 2ba1 s ALA 122 N -2.72 -0.15 -0.28 1.44 0.00 0.18 -1.60 121.76 118.63 2ba1 s ALA 122 Ca 0.63 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.82 2ba1 s ALA 122 Cb -0.05 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.00 2ba1 s ALA 122 CO 0.40 -0.04 -0.07 0.42 0.00 0.00 0.00 175.76 176.47 2ba1 s ILE 123 N 0.14 2.33 -0.16 0.00 1.01 -0.53 -0.92 121.20 123.07 2ba1 s ILE 123 Ca -0.01 -1.68 -0.08 0.00 0.00 0.00 0.00 60.65 58.88 2ba1 s ILE 123 Cb -0.02 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2ba1 s ILE 123 CO -0.00 -0.11 0.13 -1.81 0.00 0.00 0.00 174.94 173.14 2ba1 s ASP 124 N 1.12 6.27 -0.20 3.58 -0.00 -1.22 -2.04 116.67 124.17 2ba1 s ASP 124 Ca -0.06 0.34 0.01 0.00 -0.00 0.00 0.00 52.55 52.84 2ba1 s ASP 124 Cb -0.20 -2.07 0.04 0.00 -0.00 0.00 0.00 42.92 40.69 2ba1 s ASP 124 CO -0.05 0.29 -0.13 -0.63 -0.00 0.00 0.00 175.17 174.65 2ba1 s ILE 125 N -0.30 1.84 -0.11 0.77 1.01 0.89 -1.40 121.20 123.90 2ba1 s ILE 125 Ca 0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 2ba1 s ILE 125 Cb -0.11 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 2ba1 s ILE 125 CO 0.01 0.24 -0.08 -0.36 0.00 0.00 0.00 174.94 174.76 2ba1 s PHE 126 N 1.32 2.93 -0.05 3.97 0.40 0.20 -0.85 117.98 125.90 2ba1 s PHE 126 Ca -0.01 -0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.09 2ba1 s PHE 126 Cb -0.16 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.58 2ba1 s PHE 126 CO -0.09 0.09 -0.02 0.08 0.70 0.00 0.00 175.22 175.98 2ba1 s VAL 127 N -0.18 0.41 -0.08 -0.44 1.01 -0.67 0.03 120.40 120.49 2ba1 s VAL 127 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2ba1 s VAL 127 Cb -0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 2ba1 s VAL 127 CO 0.03 0.23 -0.24 -0.70 0.00 0.00 0.00 175.10 174.42 2ba1 s GLU 128 N 1.40 2.74 -0.30 2.72 2.56 -0.05 -2.44 118.70 125.33 2ba1 s GLU 128 Ca -0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 54.97 53.97 2ba1 s GLU 128 Cb -0.13 -2.18 -0.02 0.00 2.00 0.00 0.00 34.13 33.80 2ba1 s GLU 128 CO -0.03 0.26 0.15 0.14 -0.56 0.00 0.00 175.26 175.23 2ba1 s VAL 129 N 0.12 4.72 -0.26 3.70 -7.23 -0.86 -1.42 120.40 119.18 2ba1 s VAL 129 Ca -0.12 -0.26 0.20 0.00 -1.81 0.00 0.00 61.98 59.99 2ba1 s VAL 129 Cb -0.16 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.53 2ba1 s VAL 129 CO 0.06 0.14 1.28 -0.07 -0.31 0.00 0.00 175.10 176.20 2ba1 h LEU 130 N 8.34 0.00 -6.88 1.32 3.38 -0.79 -2.43 115.31 118.26 2ba1 h LEU 130 Ca -0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 2ba1 h LEU 130 Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 2ba1 h LEU 130 CO 0.60 0.24 -0.40 -1.58 0.09 0.00 0.00 178.44 177.38 2ba1 s GLN 131 N -3.13 0.34 0.07 1.13 0.74 -0.87 -4.09 119.66 113.84 2ba1 s GLN 131 Ca 0.02 0.87 0.01 0.00 0.05 0.00 0.00 55.36 56.32 2ba1 s GLN 131 Cb 0.08 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.22 2ba1 s GLN 131 CO 0.75 -0.39 0.16 0.00 -0.55 0.00 0.00 175.29 175.26 2ba1 s ALA 132 N 2.60 3.83 0.00 1.58 0.00 0.37 -0.61 121.76 129.53 2ba1 s ALA 132 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2ba1 s ALA 132 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2ba1 s ALA 132 CO -0.14 0.79 0.00 -3.47 0.00 0.00 0.00 175.76 172.94 2ba1 n ASP 133 N 0.35 0.00 -4.76 0.00 2.03 -1.26 -4.79 116.55 108.11 2ba1 n ASP 133 Ca -0.06 -0.74 -0.34 0.00 0.52 0.00 0.00 54.79 54.17 2ba1 n ASP 133 Cb 0.51 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.96 2ba1 n ASP 133 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ba1 s ALA 134 N -1.59 2.43 -0.01 -1.67 0.00 -1.26 -3.45 121.76 116.21 2ba1 s ALA 134 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2ba1 s ALA 134 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2ba1 s ALA 134 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2ba1 n GLY 135 N -0.19 0.27 0.38 0.00 0.00 -1.26 -4.87 105.19 99.52 2ba1 n GLY 135 Ca 0.11 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.33 2ba1 n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ba1 h SER 136 N 0.00 0.55 -0.26 1.61 4.64 -1.95 1.25 113.55 119.39 2ba1 h SER 136 Ca -0.00 0.11 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 2ba1 h SER 136 Cb 0.48 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2ba1 h SER 136 CO 0.00 0.10 0.20 -0.09 -0.87 0.00 0.00 176.83 176.17 2ba1 h ARG 137 N 0.48 0.00 0.19 4.77 2.43 -1.90 0.46 114.38 120.81 2ba1 h ARG 137 Ca 0.62 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.50 2ba1 h ARG 137 Cb 1.39 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2ba1 h ARG 137 CO -0.37 0.00 -1.33 1.15 -1.51 0.00 0.00 179.97 177.90 2ba1 h THR 138 N 0.00 1.24 -0.48 0.20 2.02 0.12 -3.04 112.91 112.97 2ba1 h THR 138 Ca 0.12 -2.57 0.01 0.00 0.77 0.00 0.00 66.41 64.75 2ba1 h THR 138 Cb 0.51 2.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 2ba1 h THR 138 CO -0.00 0.77 0.30 0.00 0.37 0.00 0.00 175.52 176.97 2ba1 h ALA 139 N 0.09 0.61 -0.43 6.16 0.00 -0.56 -2.29 119.26 122.83 2ba1 h ALA 139 Ca -0.25 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2ba1 h ALA 139 Cb 1.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 2ba1 h ALA 139 CO 0.19 0.02 0.26 0.00 0.00 0.00 0.00 179.25 179.71 2ba1 h LEU 141 N 0.52 0.73 -0.05 0.00 3.38 -1.39 0.43 115.31 118.92 2ba1 h LEU 141 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ba1 h LEU 141 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2ba1 h LEU 141 CO -0.08 0.75 0.00 0.78 0.09 0.00 0.00 178.44 179.99 2ba1 h ASN 142 N 0.75 0.09 -0.02 -0.43 2.35 -0.91 -0.19 115.58 117.22 2ba1 h ASN 142 Ca 0.16 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.65 2ba1 h ASN 142 Cb 0.33 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 2ba1 h ASN 142 CO 0.00 0.36 -0.17 0.00 -1.65 0.00 0.00 177.43 175.97 2ba1 h ALA 143 N 0.74 -0.19 -0.39 -0.83 0.00 -0.43 -2.11 119.26 116.04 2ba1 h ALA 143 Ca 0.02 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2ba1 h ALA 143 Cb 0.31 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.33 2ba1 h ALA 143 CO 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 179.25 178.47 2ba1 h ALA 144 N 0.68 0.22 -0.68 0.00 0.00 -0.03 0.35 119.26 119.79 2ba1 h ALA 144 Ca 0.06 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.19 2ba1 h ALA 144 Cb 0.35 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ba1 h ALA 144 CO -0.18 -0.48 0.45 1.03 0.00 0.00 0.00 179.25 180.07 2ba1 h SER 145 N -0.04 0.58 -0.09 0.00 0.87 -0.53 0.24 113.55 114.58 2ba1 h SER 145 Ca 0.19 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 2ba1 h SER 145 Cb 0.33 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2ba1 h SER 145 CO -0.42 0.37 -0.09 0.58 -0.53 0.00 0.00 176.83 176.73 2ba1 h VAL 146 N 0.65 1.36 -0.63 2.23 2.07 -0.61 -2.53 116.25 118.79 2ba1 h VAL 146 Ca 0.30 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.64 2ba1 h VAL 146 Cb 0.33 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 2ba1 h VAL 146 CO -0.10 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.16 2ba1 h ALA 147 N 0.57 0.84 -0.93 1.67 0.00 0.33 0.13 119.26 121.87 2ba1 h ALA 147 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ba1 h ALA 147 Cb 0.61 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2ba1 h ALA 147 CO 0.02 -0.06 0.57 -0.07 0.00 0.00 0.00 179.25 179.72 2ba1 h LEU 148 N 0.57 1.11 -0.37 0.00 3.38 -0.50 0.92 115.31 120.41 2ba1 h LEU 148 Ca 0.30 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 2ba1 h LEU 148 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ba1 h LEU 148 CO -0.22 0.84 -0.16 0.58 0.09 0.00 0.00 178.44 179.57 2ba1 h VAL 149 N 1.28 1.28 -0.61 1.22 2.07 -0.84 -2.14 116.25 118.51 2ba1 h VAL 149 Ca 0.33 -1.28 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2ba1 h VAL 149 Cb -0.07 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2ba1 h VAL 149 CO -0.06 0.42 0.40 -0.78 0.02 0.00 0.00 177.57 177.57 2ba1 h ASP 150 N 0.55 0.51 0.31 0.57 -0.00 -0.09 0.21 116.42 118.49 2ba1 h ASP 150 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 2ba1 h ASP 150 Cb 0.70 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.92 2ba1 h ASP 150 CO 0.05 0.33 -0.06 0.00 -0.00 0.00 0.00 179.24 179.56 2ba1 n ALA 151 N -2.48 2.68 -2.04 -0.78 0.00 0.25 -4.66 120.51 113.49 2ba1 n ALA 151 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 2ba1 n ALA 151 Cb 0.24 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 2ba1 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ba1 n GLY 152 N 1.22 0.19 3.63 0.00 0.00 0.75 -4.87 105.19 106.12 2ba1 n GLY 152 Ca 0.16 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2ba1 n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ba1 s VAL 153 N -2.58 4.72 -0.28 1.61 -7.23 -0.95 -4.97 120.40 110.72 2ba1 s VAL 153 Ca 0.00 1.44 -0.44 0.00 -1.81 0.00 0.00 61.98 61.17 2ba1 s VAL 153 Cb 0.00 -4.22 -0.19 0.00 0.56 0.00 0.00 36.38 32.52 2ba1 s VAL 153 CO 0.00 -0.28 1.42 -2.65 -0.31 0.00 0.00 175.10 173.28 2ba1 n PRO 154 N 6.35 0.15 -4.13 4.82 -0.02 -1.26 -4.80 135.00 136.10 2ba1 n PRO 154 Ca 0.07 0.05 -0.12 0.00 -2.02 0.00 0.00 63.50 61.48 2ba1 n PRO 154 Cb 0.48 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 2ba1 n PRO 154 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2ba1 s MET 155 N 1.90 0.73 0.22 -0.52 -1.94 -1.26 -1.23 119.30 117.20 2ba1 s MET 155 Ca 0.99 -1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 53.80 2ba1 s MET 155 Cb -1.36 -0.29 0.19 0.00 2.01 0.00 0.00 34.83 35.38 2ba1 s MET 155 CO 0.70 0.02 1.71 0.87 -0.01 0.00 0.00 175.02 178.32 2ba1 h LYS 156 N 3.60 0.99 0.00 2.03 1.57 -1.73 -3.48 116.57 119.55 2ba1 h LYS 156 Ca -0.36 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2ba1 h LYS 156 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2ba1 h LYS 156 CO 0.54 0.94 0.00 0.41 -0.57 0.00 0.00 179.45 180.77 2ba1 n GLY 157 N -0.59 1.54 3.93 3.86 0.00 -1.26 -4.88 105.19 107.78 2ba1 n GLY 157 Ca 0.04 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 2ba1 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ba1 s MET 158 N 1.12 3.53 -0.21 1.61 -1.94 -1.03 -4.82 119.30 117.56 2ba1 s MET 158 Ca 0.00 -0.31 -0.05 0.00 -1.71 0.00 0.00 55.69 53.62 2ba1 s MET 158 Cb 0.00 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 2ba1 s MET 158 CO 0.00 0.38 -0.00 0.42 -0.01 0.00 0.00 175.02 175.81 2ba1 s ILE 159 N -1.89 3.85 -0.02 2.53 -1.09 -1.26 0.31 121.20 123.63 2ba1 s ILE 159 Ca 0.39 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.51 2ba1 s ILE 159 Cb -0.11 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.01 2ba1 s ILE 159 CO 0.29 0.41 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.36 2ba1 s THR 160 N 1.20 1.30 0.05 2.92 2.01 -0.46 -4.69 115.64 117.97 2ba1 s THR 160 Ca 0.03 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.39 2ba1 s THR 160 Cb -0.15 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2ba1 s THR 160 CO 0.01 0.37 -0.11 -0.55 -0.69 0.00 0.00 174.62 173.66 2ba1 s SER 161 N -0.19 1.21 0.07 3.53 0.15 -1.26 0.86 113.70 118.07 2ba1 s SER 161 Ca 0.02 -0.54 -0.24 0.00 0.70 0.00 0.00 55.95 55.89 2ba1 s SER 161 Cb -0.08 -0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.28 2ba1 s SER 161 CO 0.00 -0.12 0.58 -0.69 1.20 0.00 0.00 173.24 174.21 2ba1 s VAL 162 N -1.23 0.01 0.00 4.45 1.01 -0.79 -4.85 120.40 119.01 2ba1 s VAL 162 Ca -0.05 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.86 2ba1 s VAL 162 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2ba1 s VAL 162 CO 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 175.10 174.89 2ba1 s ALA 163 N -2.66 2.64 -0.09 5.51 0.00 -1.26 0.31 121.76 126.21 2ba1 s ALA 163 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2ba1 s ALA 163 Cb -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 2ba1 s ALA 163 CO -0.03 0.57 -0.09 0.08 0.00 0.00 0.00 175.76 176.29 2ba1 s VAL 164 N -0.85 3.53 0.36 0.00 1.01 0.11 -0.57 120.40 123.98 2ba1 s VAL 164 Ca 0.14 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2ba1 s VAL 164 Cb -0.11 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2ba1 s VAL 164 CO 0.04 0.57 0.10 0.61 0.00 0.00 0.00 175.10 176.41 2ba1 n GLY 165 N 2.65 3.43 2.72 4.51 0.00 0.73 -0.12 105.19 119.11 2ba1 n GLY 165 Ca -0.18 -2.30 -0.20 0.00 0.00 0.00 0.00 46.02 43.35 2ba1 n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ba1 s LYS 166 N -3.36 -0.02 -0.07 1.61 2.20 -1.09 -0.72 119.74 118.30 2ba1 s LYS 166 Ca 0.08 0.38 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 2ba1 s LYS 166 Cb -0.01 -0.60 0.01 0.00 -1.51 0.00 0.00 37.83 35.73 2ba1 s LYS 166 CO 0.05 -0.37 -0.14 0.00 -0.36 0.00 0.00 175.35 174.52 2ba1 s ALA 167 N 2.21 1.40 -1.55 3.13 0.00 0.22 -0.38 121.76 126.80 2ba1 s ALA 167 Ca 0.04 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 2ba1 s ALA 167 Cb -0.13 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.47 2ba1 s ALA 167 CO -0.05 0.16 0.39 -0.25 0.00 0.00 0.00 175.76 176.02 2ba1 n ASP 168 N 3.66 -0.70 0.00 0.00 10.43 -1.26 0.12 116.55 128.80 2ba1 n ASP 168 Ca -0.22 -1.10 0.00 0.00 2.57 0.00 0.00 54.79 56.04 2ba1 n ASP 168 Cb 0.52 -2.46 0.00 0.00 1.84 0.00 0.00 41.12 41.02 2ba1 n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2ba1 n GLY 169 N -1.96 2.81 3.76 0.44 0.00 -1.26 -4.98 105.19 104.00 2ba1 n GLY 169 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2ba1 n GLY 169 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ba1 s GLN 170 N 0.00 3.36 0.39 1.61 2.00 0.12 -5.09 119.66 122.05 2ba1 s GLN 170 Ca 0.00 -0.27 -0.25 0.00 -2.00 0.00 0.00 55.36 52.84 2ba1 s GLN 170 Cb 0.00 -3.05 -0.09 0.00 0.80 0.00 0.00 33.01 30.68 2ba1 s GLN 170 CO 0.00 0.66 1.08 -0.51 -0.50 0.00 0.00 175.29 176.02 2ba1 s LEU 171 N -0.73 4.19 0.01 3.68 1.43 -1.26 0.70 118.68 126.70 2ba1 s LEU 171 Ca 0.12 2.13 0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2ba1 s LEU 171 Cb -0.12 -4.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 2ba1 s LEU 171 CO 0.03 -0.50 -0.04 0.68 0.23 0.00 0.00 176.35 176.74 2ba1 s VAL 172 N -1.55 0.26 0.15 -1.59 -7.23 0.10 -4.81 120.40 105.73 2ba1 s VAL 172 Ca 0.56 -0.38 -0.22 0.00 -1.81 0.00 0.00 61.98 60.13 2ba1 s VAL 172 Cb -0.25 -0.27 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 2ba1 s VAL 172 CO 0.31 -0.08 0.71 -0.22 -0.31 0.00 0.00 175.10 175.51 2ba1 s LEU 173 N -0.49 4.52 -0.99 1.32 2.96 0.16 -0.19 118.68 125.95 2ba1 s LEU 173 Ca -0.03 1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 55.23 2ba1 s LEU 173 Cb -0.04 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.40 2ba1 s LEU 173 CO -0.00 0.19 0.70 -0.67 -1.32 0.00 0.00 176.35 175.25 2ba1 n ASP 174 N 1.41 -5.37 -4.72 3.68 4.64 0.26 -4.64 116.55 111.81 2ba1 n ASP 174 Ca -0.06 -0.91 -0.35 0.00 -1.38 0.00 0.00 54.79 52.09 2ba1 n ASP 174 Cb 0.50 -2.86 0.09 0.00 -1.04 0.00 0.00 41.12 37.81 2ba1 n ASP 174 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ba1 s PRO 175 N -5.45 2.15 0.63 -0.67 0.04 -1.26 -4.70 135.00 125.74 2ba1 s PRO 175 Ca 0.26 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.29 2ba1 s PRO 175 Cb -0.11 -1.81 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2ba1 s PRO 175 CO 0.87 -1.87 0.86 0.00 0.04 0.00 0.00 177.00 176.91 2ba1 s MET 176 N -3.70 2.08 0.13 4.56 0.23 -1.26 -4.58 119.30 116.77 2ba1 s MET 176 Ca 0.79 -1.34 -0.25 0.00 -1.03 0.00 0.00 55.69 53.85 2ba1 s MET 176 Cb -0.34 -2.51 -0.03 0.00 -1.53 0.00 0.00 34.83 30.42 2ba1 s MET 176 CO 0.44 -1.07 1.63 -0.22 -2.03 0.00 0.00 175.02 173.78 2ba1 h LYS 177 N -0.10 -0.35 -0.44 3.16 3.64 -1.92 -0.76 116.57 119.80 2ba1 h LYS 177 Ca -0.34 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.15 2ba1 h LYS 177 Cb 1.28 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 2ba1 h LYS 177 CO 0.41 -0.24 -0.04 0.93 -2.27 0.00 0.00 179.45 178.25 2ba1 h GLU 178 N -0.37 0.07 -0.72 1.90 4.39 -1.98 0.35 114.58 118.23 2ba1 h GLU 178 Ca 0.08 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2ba1 h GLU 178 Cb 0.48 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2ba1 h GLU 178 CO -0.27 0.04 0.30 0.93 -1.16 0.00 0.00 179.01 178.86 2ba1 h GLU 179 N 0.07 1.07 -0.21 2.33 5.08 -1.87 -1.67 114.58 119.39 2ba1 h GLU 179 Ca 0.21 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2ba1 h GLU 179 Cb 0.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ba1 h GLU 179 CO -0.39 0.87 -0.17 0.22 -1.00 0.00 0.00 179.01 178.53 2ba1 h ASP 180 N 1.03 0.34 0.87 1.42 3.58 -0.36 0.71 116.42 124.00 2ba1 h ASP 180 Ca 0.24 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2ba1 h ASP 180 Cb 0.19 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2ba1 h ASP 180 CO -0.02 0.53 -0.39 0.59 -2.88 0.00 0.00 179.24 177.07 2ba1 n ASN 181 N -4.20 0.53 0.00 2.28 3.02 0.04 -4.30 115.26 112.63 2ba1 n ASN 181 Ca -0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2ba1 n ASN 181 Cb 0.32 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2ba1 n ASN 181 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2ba1 n PHE 182 N -1.84 0.00 -2.13 3.10 3.01 -0.66 -5.08 117.46 113.86 2ba1 n PHE 182 Ca 0.05 -0.04 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 2ba1 n PHE 182 Cb 0.39 -0.00 0.18 0.00 -0.01 0.00 0.00 39.48 40.04 2ba1 n PHE 182 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2ba1 s GLY 183 N -0.09 1.80 0.00 1.37 0.00 0.25 -4.88 107.32 105.77 2ba1 s GLY 183 Ca 0.00 -1.47 0.23 0.00 0.00 0.00 0.00 44.72 43.47 2ba1 s GLY 183 CO 0.00 -0.70 1.10 1.18 0.00 0.00 0.00 173.10 174.68 2ba1 n GLU 184 N -3.59 0.02 -3.57 2.90 4.71 0.49 -4.99 120.64 116.61 2ba1 n GLU 184 Ca 0.17 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.22 2ba1 n GLU 184 Cb 0.60 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 29.50 2ba1 n GLU 184 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ba1 s ALA 185 N -3.02 -1.59 -0.16 0.62 0.00 -1.24 -1.69 121.76 114.69 2ba1 s ALA 185 Ca 0.09 0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 2ba1 s ALA 185 Cb 0.16 0.74 0.07 0.00 0.00 0.00 0.00 23.12 24.09 2ba1 s ALA 185 CO 0.80 -0.84 0.35 -0.51 0.00 0.00 0.00 175.76 175.56 2ba1 s ASP 186 N -2.74 -0.15 -0.30 0.00 1.01 0.10 -2.67 116.67 111.92 2ba1 s ASP 186 Ca 0.05 0.79 -0.02 0.00 0.71 0.00 0.00 52.55 54.08 2ba1 s ASP 186 Cb -0.02 0.89 0.12 0.00 1.01 0.00 0.00 42.92 44.92 2ba1 s ASP 186 CO -0.06 -0.22 0.21 -0.32 0.21 0.00 0.00 175.17 174.99 2ba1 s MET 187 N 2.07 0.30 0.18 8.23 1.75 0.82 -1.48 119.30 131.16 2ba1 s MET 187 Ca -0.04 -0.52 -0.25 0.00 -1.25 0.00 0.00 55.69 53.63 2ba1 s MET 187 Cb -0.11 -0.99 -0.08 0.00 2.84 0.00 0.00 34.83 36.49 2ba1 s MET 187 CO -0.11 -1.06 0.78 -1.25 -0.65 0.00 0.00 175.02 172.73 2ba1 s PRO 188 N 2.02 4.53 0.42 4.11 0.04 -1.08 -0.71 135.00 144.32 2ba1 s PRO 188 Ca 0.11 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.31 2ba1 s PRO 188 Cb -0.16 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2ba1 s PRO 188 CO -0.29 0.54 0.08 -0.06 0.04 0.00 0.00 177.00 177.31 2ba1 s PHE 189 N -1.21 1.87 -0.28 0.56 0.40 0.15 -2.60 117.98 116.86 2ba1 s PHE 189 Ca 0.37 -1.13 -0.19 0.00 -0.60 0.00 0.00 56.93 55.38 2ba1 s PHE 189 Cb -0.22 -1.31 0.09 0.00 0.51 0.00 0.00 43.02 42.10 2ba1 s PHE 189 CO 0.25 -0.10 0.79 0.00 0.70 0.00 0.00 175.22 176.87 2ba1 s ALA 190 N -3.13 -1.94 0.19 5.36 0.00 -0.71 -1.89 121.76 119.64 2ba1 s ALA 190 Ca 0.22 2.23 0.10 0.00 0.00 0.00 0.00 51.96 54.51 2ba1 s ALA 190 Cb 0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2ba1 s ALA 190 CO 0.12 -0.35 -0.20 -0.06 0.00 0.00 0.00 175.76 175.28 2ba1 s PHE 191 N 1.11 1.98 -0.00 0.00 0.40 0.25 0.74 117.98 122.46 2ba1 s PHE 191 Ca -0.06 -0.43 -0.21 0.00 -0.60 0.00 0.00 56.93 55.63 2ba1 s PHE 191 Cb -0.05 -0.96 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 2ba1 s PHE 191 CO -0.12 0.42 0.61 -1.17 0.70 0.00 0.00 175.22 175.65 2ba1 s LEU 192 N -2.82 4.42 -0.28 -0.37 2.96 -0.92 -1.36 118.68 120.32 2ba1 s LEU 192 Ca 0.19 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 2ba1 s LEU 192 Cb -0.06 -2.95 0.07 0.00 0.50 0.00 0.00 46.19 43.76 2ba1 s LEU 192 CO 0.08 0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.53 2ba1 s ILE 193 N -0.17 1.99 0.18 6.68 1.01 0.15 -1.84 121.20 129.20 2ba1 s ILE 193 Ca 0.32 -1.71 0.09 0.00 0.00 0.00 0.00 60.65 59.35 2ba1 s ILE 193 Cb -0.18 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2ba1 s ILE 193 CO 0.18 -0.22 -0.13 -0.13 0.00 0.00 0.00 174.94 174.64 2ba1 s ARG 194 N 1.14 1.95 -1.20 2.79 0.52 -0.95 -2.48 118.95 120.73 2ba1 s ARG 194 Ca -0.02 -1.30 -0.31 0.00 -0.52 0.00 0.00 55.73 53.58 2ba1 s ARG 194 Cb -0.19 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.20 2ba1 s ARG 194 CO -0.07 0.43 0.70 -1.71 0.02 0.00 0.00 175.30 174.67 2ba1 n ASN 195 N 0.14 -4.34 0.00 0.23 5.15 -1.26 -0.95 115.26 114.24 2ba1 n ASN 195 Ca -0.11 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.64 2ba1 n ASN 195 Cb 0.55 -2.11 0.00 0.00 -0.53 0.00 0.00 39.78 37.69 2ba1 n ASN 195 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ba1 n GLY 196 N -2.00 0.00 3.31 8.20 0.00 -1.26 -4.86 105.19 108.57 2ba1 n GLY 196 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 2ba1 n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ba1 s LYS 197 N -0.55 1.21 -0.12 1.61 1.02 -0.12 -5.09 119.74 117.69 2ba1 s LYS 197 Ca 0.00 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 2ba1 s LYS 197 Cb 0.00 -1.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.12 2ba1 s LYS 197 CO 0.00 0.23 1.38 0.42 -0.92 0.00 0.00 175.35 176.45 2ba1 s ILE 198 N -2.25 4.05 -0.24 2.17 1.01 -1.26 -2.23 121.20 122.45 2ba1 s ILE 198 Ca 0.15 1.29 -0.16 0.00 0.00 0.00 0.00 60.65 61.93 2ba1 s ILE 198 Cb -0.04 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 2ba1 s ILE 198 CO 0.05 -0.10 -0.28 -0.62 0.00 0.00 0.00 174.94 173.99 2ba1 n GLU 199 N 6.63 0.56 -4.15 2.79 1.02 -0.77 -4.96 120.64 121.76 2ba1 n GLU 199 Ca 0.15 0.30 -0.16 0.00 -0.02 0.00 0.00 57.16 57.43 2ba1 n GLU 199 Cb 0.44 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 2ba1 n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2ba1 s SER 200 N -6.94 1.05 -0.25 1.62 1.04 -1.24 -5.00 113.70 103.98 2ba1 s SER 200 Ca -0.34 -1.54 -0.13 0.00 0.48 0.00 0.00 55.95 54.42 2ba1 s SER 200 Cb 0.11 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 2ba1 s SER 200 CO 0.47 -1.18 0.28 -0.63 0.98 0.00 0.00 173.24 173.16 2ba1 s ILE 201 N -3.31 5.26 -0.17 -1.02 1.01 -1.26 -2.16 121.20 119.56 2ba1 s ILE 201 Ca 0.34 0.40 0.11 0.00 0.00 0.00 0.00 60.65 61.49 2ba1 s ILE 201 Cb 0.01 -3.61 -0.23 0.00 0.01 0.00 0.00 42.46 38.64 2ba1 s ILE 201 CO 0.21 0.24 0.18 0.00 0.00 0.00 0.00 174.94 175.58 2ba1 n ALA 202 N 4.86 1.42 -3.73 9.38 0.00 0.23 -4.90 120.51 127.75 2ba1 n ALA 202 Ca -0.11 -1.07 -0.15 0.00 0.00 0.00 0.00 53.44 52.11 2ba1 n ALA 202 Cb 0.51 -0.38 -0.15 0.00 0.00 0.00 0.00 19.45 19.43 2ba1 n ALA 202 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ba1 s LEU 203 N -6.02 0.62 -0.04 0.00 0.20 -0.88 -4.26 118.68 108.30 2ba1 s LEU 203 Ca -0.15 0.24 -0.01 0.00 0.69 0.00 0.00 54.13 54.89 2ba1 s LEU 203 Cb 0.07 0.22 0.03 0.00 -0.43 0.00 0.00 46.19 46.09 2ba1 s LEU 203 CO 0.77 -0.17 0.07 -0.22 -0.29 0.00 0.00 176.35 176.52 2ba1 s LEU 204 N 1.41 0.76 -0.17 -0.68 0.20 -1.26 -1.73 118.68 117.22 2ba1 s LEU 204 Ca -0.06 0.13 -0.15 0.00 0.69 0.00 0.00 54.13 54.74 2ba1 s LEU 204 Cb -0.12 0.05 0.04 0.00 -0.43 0.00 0.00 46.19 45.73 2ba1 s LEU 204 CO -0.05 -0.16 0.44 -1.10 -0.29 0.00 0.00 176.35 175.19 2ba1 s GLN 205 N 1.35 0.50 0.02 1.98 -0.21 -1.07 -5.05 119.66 117.18 2ba1 s GLN 205 Ca -0.06 0.63 0.01 0.00 0.02 0.00 0.00 55.36 55.96 2ba1 s GLN 205 Cb -0.12 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 2ba1 s GLN 205 CO -0.04 -0.07 -0.04 0.00 -2.12 0.00 0.00 175.29 173.02 2ba1 s MET 206 N 0.36 0.30 -0.02 2.91 0.23 -1.26 -2.63 119.30 119.18 2ba1 s MET 206 Ca -0.01 -0.42 -0.03 0.00 -1.03 0.00 0.00 55.69 54.20 2ba1 s MET 206 Cb -0.04 -0.09 0.00 0.00 -1.53 0.00 0.00 34.83 33.18 2ba1 s MET 206 CO -0.01 0.01 0.06 -0.51 -2.03 0.00 0.00 175.02 172.54 2ba1 s ASP 207 N -0.92 -0.03 0.00 -1.18 1.01 -0.55 -5.01 116.67 110.00 2ba1 s ASP 207 Ca -0.08 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.21 2ba1 s ASP 207 Cb -0.06 0.14 0.00 0.00 1.01 0.00 0.00 42.92 44.01 2ba1 s ASP 207 CO -0.00 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.90 2ba1 n GLY 208 N 2.72 0.19 3.07 0.21 0.00 -1.26 -0.72 105.19 109.40 2ba1 n GLY 208 Ca -0.15 -1.46 -0.00 0.00 0.00 0.00 0.00 46.02 44.41 2ba1 n GLY 208 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ba1 s ARG 209 N -0.08 0.50 0.05 1.61 3.52 -0.68 -4.98 118.95 118.89 2ba1 s ARG 209 Ca 0.00 0.82 0.03 0.00 -0.13 0.00 0.00 55.73 56.46 2ba1 s ARG 209 Cb 0.00 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 2ba1 s ARG 209 CO 0.00 -0.65 -0.11 -1.64 -0.81 0.00 0.00 175.30 172.09 2ba1 s MET 210 N 2.75 0.65 0.73 5.12 -1.94 -1.26 -4.79 119.30 120.56 2ba1 s MET 210 Ca 0.18 -0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 53.21 2ba1 s MET 210 Cb -0.15 -0.52 0.04 0.00 2.01 0.00 0.00 34.83 36.21 2ba1 s MET 210 CO -0.20 0.11 1.10 0.95 -0.01 0.00 0.00 175.02 176.97 2ba1 s THR 211 N -1.32 2.88 0.36 2.05 -4.23 -1.26 -4.88 115.64 109.23 2ba1 s THR 211 Ca -0.06 0.19 0.04 0.00 -1.18 0.00 0.00 61.69 60.68 2ba1 s THR 211 Cb -0.10 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.75 2ba1 s THR 211 CO 0.01 -0.34 1.99 -0.09 -0.54 0.00 0.00 174.62 175.66 2ba1 h ARG 212 N -0.74 0.77 0.22 3.99 1.12 -2.01 -2.26 114.38 115.47 2ba1 h ARG 212 Ca -0.45 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.36 2ba1 h ARG 212 Cb 1.29 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 2ba1 h ARG 212 CO 0.64 0.51 -0.10 -0.44 -3.11 0.00 0.00 179.97 177.46 2ba1 h ASP 213 N 0.79 -0.25 -0.83 -3.80 3.32 -1.99 -3.13 116.42 110.53 2ba1 h ASP 213 Ca 0.26 -0.28 0.20 0.00 0.02 0.00 0.00 57.03 57.24 2ba1 h ASP 213 Cb 0.05 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 39.52 2ba1 h ASP 213 CO -0.07 0.25 0.06 -0.33 -1.72 0.00 0.00 179.24 177.44 2ba1 h GLU 214 N -0.87 0.11 0.15 3.56 5.08 -1.90 0.33 114.58 121.04 2ba1 h GLU 214 Ca -0.03 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ba1 h GLU 214 Cb 0.51 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2ba1 h GLU 214 CO 0.05 0.07 -0.31 0.28 -1.00 0.00 0.00 179.01 178.10 2ba1 h VAL 215 N 0.11 0.33 -0.13 3.13 2.07 -1.48 0.30 116.25 120.58 2ba1 h VAL 215 Ca 0.48 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.00 2ba1 h VAL 215 Cb 0.91 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2ba1 h VAL 215 CO -0.71 0.00 0.06 0.11 0.02 0.00 0.00 177.57 177.05 2ba1 h LYS 216 N -0.55 0.18 0.00 1.57 1.57 -0.92 0.11 116.57 118.52 2ba1 h LYS 216 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ba1 h LYS 216 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ba1 h LYS 216 CO -0.17 0.15 0.00 1.04 -0.57 0.00 0.00 179.45 179.90 2ba1 n GLN 217 N -4.49 0.16 0.07 3.15 6.02 0.95 -3.10 117.38 120.14 2ba1 n GLN 217 Ca -0.01 0.17 -0.14 0.00 -0.01 0.00 0.00 57.00 57.01 2ba1 n GLN 217 Cb 0.10 -1.70 -0.14 0.00 1.02 0.00 0.00 30.24 29.52 2ba1 n GLN 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ba1 h ALA 218 N 2.64 0.28 -0.67 -1.58 0.00 0.22 -3.04 119.26 117.12 2ba1 h ALA 218 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 2ba1 h ALA 218 Cb 0.61 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2ba1 h ALA 218 CO 0.00 1.15 0.22 0.82 0.00 0.00 0.00 179.25 181.45 2ba1 h ILE 219 N 0.05 1.24 -0.34 0.00 5.03 -1.42 -0.38 117.51 121.69 2ba1 h ILE 219 Ca -0.18 -0.82 -0.07 0.00 -0.12 0.00 0.00 64.86 63.67 2ba1 h ILE 219 Cb 1.97 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 36.24 2ba1 h ILE 219 CO 0.16 0.32 -0.05 -0.33 -0.68 0.00 0.00 178.15 177.57 2ba1 h GLU 220 N 0.98 0.64 0.00 2.37 4.39 -1.63 0.20 114.58 121.53 2ba1 h GLU 220 Ca 0.22 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2ba1 h GLU 220 Cb 0.25 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2ba1 h GLU 220 CO -0.01 0.79 -0.11 1.25 -1.16 0.00 0.00 179.01 179.76 2ba1 h LEU 221 N 0.44 0.00 0.16 1.33 6.46 -1.37 -2.17 115.31 120.15 2ba1 h LEU 221 Ca 0.09 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.57 2ba1 h LEU 221 Cb 0.53 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.47 2ba1 h LEU 221 CO 0.03 0.11 -1.39 0.00 -0.62 0.00 0.00 178.44 176.57 2ba1 h ALA 222 N 1.89 0.07 0.00 1.25 0.00 -0.43 -3.21 119.26 118.83 2ba1 h ALA 222 Ca -0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 54.91 53.86 2ba1 h ALA 222 Cb 0.48 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ba1 h ALA 222 CO 0.01 0.77 -0.23 0.87 0.00 0.00 0.00 179.25 180.67 2ba1 h LYS 223 N -0.16 0.00 -0.18 0.00 1.57 -0.49 -0.34 116.57 116.97 2ba1 h LYS 223 Ca -0.28 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 2ba1 h LYS 223 Cb 1.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2ba1 h LYS 223 CO 0.13 0.23 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.96 2ba1 h LYS 224 N 0.00 0.36 -0.09 3.15 3.64 -1.48 -2.48 116.57 119.67 2ba1 h LYS 224 Ca -0.00 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 2ba1 h LYS 224 Cb 0.52 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2ba1 h LYS 224 CO 0.03 0.65 -0.59 0.78 -2.27 0.00 0.00 179.45 178.05 2ba1 h GLY 225 N 0.06 0.31 0.99 5.01 0.00 -1.50 -3.21 103.07 104.72 2ba1 h GLY 225 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ba1 h GLY 225 CO 0.02 0.33 0.30 0.00 0.00 0.00 0.00 176.54 177.19 2ba1 h ALA 226 N 1.17 0.63 -1.00 3.60 0.00 -0.98 -0.12 119.26 122.56 2ba1 h ALA 226 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ba1 h ALA 226 Cb 1.09 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2ba1 h ALA 226 CO 0.09 0.12 0.66 -0.07 0.00 0.00 0.00 179.25 180.05 2ba1 h LEU 227 N 0.66 1.09 -0.20 0.00 3.38 -1.45 0.66 115.31 119.45 2ba1 h LEU 227 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2ba1 h LEU 227 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2ba1 h LEU 227 CO -0.03 0.75 0.05 1.56 0.09 0.00 0.00 178.44 180.86 2ba1 h GLN 228 N 1.27 0.32 -0.62 1.13 4.20 -1.41 -1.12 115.11 118.88 2ba1 h GLN 228 Ca 0.40 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 59.05 2ba1 h GLN 228 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2ba1 h GLN 228 CO -0.13 0.44 0.40 0.82 -0.67 0.00 0.00 178.83 179.69 2ba1 h ILE 229 N 0.15 1.14 -0.72 2.54 1.08 -0.21 -2.49 117.51 119.00 2ba1 h ILE 229 Ca 0.06 -0.28 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2ba1 h ILE 229 Cb 0.26 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 2ba1 h ILE 229 CO -0.00 0.15 0.48 0.22 -0.69 0.00 0.00 178.15 178.31 2ba1 h TYR 230 N 0.81 0.89 -0.27 1.37 3.20 0.61 -0.40 116.97 123.19 2ba1 h TYR 230 Ca 0.23 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 2ba1 h TYR 230 Cb -0.07 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 37.89 2ba1 h TYR 230 CO -0.04 0.55 -0.26 1.49 -1.64 0.00 0.00 178.16 178.26 2ba1 h GLU 231 N 0.95 0.53 -0.42 1.82 4.81 -0.77 -0.59 114.58 120.90 2ba1 h GLU 231 Ca 0.27 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2ba1 h GLU 231 Cb -0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2ba1 h GLU 231 CO -0.07 0.75 -0.08 0.52 -0.73 0.00 0.00 179.01 179.41 2ba1 h MET 232 N 0.47 0.80 -0.72 1.92 2.86 -0.94 -1.68 114.93 117.63 2ba1 h MET 232 Ca 0.07 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2ba1 h MET 232 Cb 0.70 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 2ba1 h MET 232 CO 0.05 0.91 0.46 1.96 1.06 0.00 0.00 176.91 181.35 2ba1 h GLN 233 N 0.62 0.96 -0.44 1.72 4.20 -0.72 -1.97 115.11 119.48 2ba1 h GLN 233 Ca 0.11 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2ba1 h GLN 233 Cb 0.60 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2ba1 h GLN 233 CO 0.04 0.65 0.07 -0.09 -0.67 0.00 0.00 178.83 178.83 2ba1 h ARG 234 N 0.98 0.68 -0.02 1.46 2.43 -0.91 -2.20 114.38 116.80 2ba1 h ARG 234 Ca 0.26 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2ba1 h ARG 234 Cb -0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2ba1 h ARG 234 CO -0.05 0.65 -0.55 0.93 -1.51 0.00 0.00 179.97 179.43 2ba1 h GLU 235 N 0.65 0.05 -0.29 0.20 4.39 -0.81 -1.35 114.58 117.42 2ba1 h GLU 235 Ca 0.14 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 2ba1 h GLU 235 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2ba1 h GLU 235 CO 0.00 0.59 -0.31 0.00 -1.16 0.00 0.00 179.01 178.14 2ba1 h ALA 236 N 1.41 0.92 0.00 3.43 0.00 -0.77 -1.54 119.26 122.70 2ba1 h ALA 236 Ca -0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2ba1 h ALA 236 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2ba1 h ALA 236 CO 0.07 0.62 -0.75 0.82 0.00 0.00 0.00 179.25 180.01 2ba1 h ILE 237 N 0.52 1.29 -0.38 0.00 5.03 -1.27 -2.90 117.51 119.80 2ba1 h ILE 237 Ca 0.06 -2.83 -0.14 0.00 -0.12 0.00 0.00 64.86 61.83 2ba1 h ILE 237 Cb 0.79 2.64 -0.01 0.00 -3.03 0.00 0.00 36.82 37.21 2ba1 h ILE 237 CO 0.06 0.74 -0.31 0.25 -0.68 0.00 0.00 178.15 178.21 2ba1 h LEU 238 N 0.00 0.94 -0.67 1.44 6.46 -1.02 0.00 115.31 122.47 2ba1 h LEU 238 Ca -0.01 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.27 2ba1 h LEU 238 Cb 1.58 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 2ba1 h LEU 238 CO 0.10 1.19 0.29 0.03 -0.62 0.00 0.00 178.44 179.43 2ba1 h ARG 239 N 0.70 0.99 -0.89 1.25 3.08 -1.32 -1.43 114.38 116.75 2ba1 h ARG 239 Ca 0.07 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 59.97 2ba1 h ARG 239 Cb 0.90 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 2ba1 h ARG 239 CO 0.08 0.81 0.59 -0.09 -1.07 0.00 0.00 179.97 180.28 2ba1 h ARG 240 N 0.94 1.15 -0.49 0.04 9.65 -1.28 -0.46 114.38 123.92 2ba1 h ARG 240 Ca 0.23 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.06 2ba1 h ARG 240 Cb 0.17 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 2ba1 h ARG 240 CO -0.02 0.76 0.33 -0.92 2.80 0.00 0.00 179.97 182.91 2ba1 h TYR 241 N 1.18 0.58 -0.14 2.20 3.20 -0.22 0.16 116.97 123.92 2ba1 h TYR 241 Ca 0.33 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.11 2ba1 h TYR 241 Cb -0.10 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 37.98 2ba1 h TYR 241 CO -0.01 0.35 -0.33 0.82 -1.64 0.00 0.00 178.16 177.35 2ba1 h ILE 242 N 0.61 1.36 -0.67 1.81 1.08 -0.20 -2.26 117.51 119.25 2ba1 h ILE 242 Ca 0.19 -1.61 -0.02 0.00 -0.39 0.00 0.00 64.86 63.03 2ba1 h ILE 242 Cb 0.02 2.04 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 2ba1 h ILE 242 CO -0.05 0.48 0.33 -0.33 -0.69 0.00 0.00 178.15 177.89 2ba1 h GLU 243 N 0.08 0.95 0.00 2.37 5.08 -0.12 0.50 114.58 123.44 2ba1 h GLU 243 Ca -0.00 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2ba1 h GLU 243 Cb 0.94 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2ba1 h GLU 243 CO 0.07 0.75 -0.44 -0.39 -1.00 0.00 0.00 179.01 178.00 2ba1 h VAL 244 N 0.92 1.01 -0.05 3.13 -1.51 -0.79 -2.12 116.25 116.83 2ba1 h VAL 244 Ca 0.23 -1.72 -0.16 0.00 -1.23 0.00 0.00 66.70 63.82 2ba1 h VAL 244 Cb 0.11 2.02 0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2ba1 h VAL 244 CO -0.03 0.43 -0.61 1.23 -1.23 0.00 0.00 177.57 177.36 2ba1 h GLY 245 N 2.13 0.55 1.08 5.19 0.00 -0.66 -2.94 103.07 108.42 2ba1 h GLY 245 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2ba1 h GLY 245 CO 0.06 0.78 -0.13 -1.84 0.00 0.00 0.00 176.54 175.40 2ba1 n GLU 246 N -4.18 0.51 0.07 4.80 0.28 0.17 -2.96 120.64 119.33 2ba1 n GLU 246 Ca -0.09 -0.17 -0.02 0.00 -0.16 0.00 0.00 57.16 56.71 2ba1 n GLU 246 Cb 0.66 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.97 2ba1 n GLU 246 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2ba1 h GLU 247 N 0.41 0.00 0.01 3.44 4.81 -1.36 -2.90 114.58 118.99 2ba1 h GLU 247 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2ba1 h GLU 247 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ba1 h GLU 247 CO 0.00 0.61 -0.10 0.52 -0.73 0.00 0.00 179.01 179.31 2ba1 h MET 248 N 0.00 0.06 0.00 1.92 2.86 -1.45 -3.04 114.93 115.28 2ba1 h MET 248 Ca -0.08 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2ba1 h MET 248 Cb 1.63 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.31 2ba1 h MET 248 CO 0.08 0.90 0.00 -3.47 1.06 0.00 0.00 176.91 175.48 2ba1 n ASP 249 N -4.61 0.00 -0.08 1.22 2.03 -1.16 -1.88 116.55 112.08 2ba1 n ASP 249 Ca -0.10 -0.46 -0.23 0.00 0.52 0.00 0.00 54.79 54.53 2ba1 n ASP 249 Cb 0.46 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.74 2ba1 n ASP 249 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2ba1 n GLU 250 N -0.80 0.65 -0.13 -0.67 4.07 -1.10 -2.99 120.64 119.67 2ba1 n GLU 250 Ca 0.05 0.34 0.04 0.00 -0.06 0.00 0.00 57.16 57.53 2ba1 n GLU 250 Cb 0.02 -1.64 0.35 0.00 -0.06 0.00 0.00 31.44 30.11 2ba1 n GLU 250 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2ba1 h ILE 251 N -0.49 1.10 0.00 6.31 2.04 -1.38 -1.95 117.51 123.14 2ba1 h ILE 251 Ca -0.49 -0.26 -0.22 0.00 1.00 0.00 0.00 64.86 64.89 2ba1 h ILE 251 Cb 1.70 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2ba1 h ILE 251 CO -0.14 0.14 -1.14 0.74 0.00 0.00 0.00 178.15 177.75 2ba1 h THR 252 N 0.75 1.50 0.00 -0.27 2.02 -1.73 -3.53 112.91 111.66 2ba1 h THR 252 Ca 0.24 -3.23 0.00 0.00 0.77 0.00 0.00 66.41 64.19 2ba1 h THR 252 Cb 0.04 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2ba1 h THR 252 CO -0.06 0.86 0.00 1.21 0.37 0.00 0.00 175.52 177.89