#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 2.23 0.04 5.31 2.20 -1.26 -5.05 119.74 123.21 2ba1 s LYS 10 Ca 0.00 -0.90 0.03 0.00 -0.36 0.00 0.00 55.97 54.74 2ba1 s LYS 10 Cb 0.00 -2.11 -0.25 0.00 -1.51 0.00 0.00 37.83 33.97 2ba1 s LYS 10 CO 0.00 0.54 0.98 -0.07 -0.36 0.00 0.00 175.35 176.44 2ba1 h LEU 11 N 5.56 0.20 -8.11 5.43 3.38 -1.95 -3.45 115.31 116.38 2ba1 h LEU 11 Ca -0.42 -0.27 -0.67 0.00 0.09 0.00 0.00 57.88 56.61 2ba1 h LEU 11 Cb 1.13 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 41.47 2ba1 h LEU 11 CO 0.47 1.22 -0.85 -0.63 0.09 0.00 0.00 178.44 178.74 2ba1 s ILE 12 N -2.65 2.13 -0.26 1.22 -1.09 -1.26 -3.44 121.20 115.85 2ba1 s ILE 12 Ca -0.05 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.44 2ba1 s ILE 12 Cb 0.08 -1.89 0.08 0.00 -1.58 0.00 0.00 42.46 39.15 2ba1 s ILE 12 CO 0.84 0.54 0.06 0.68 -1.23 0.00 0.00 174.94 175.82 2ba1 s VAL 13 N 1.19 0.88 -0.48 2.92 -7.23 -0.39 -4.79 120.40 112.50 2ba1 s VAL 13 Ca 0.02 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2ba1 s VAL 13 Cb -0.14 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2ba1 s VAL 13 CO -0.10 -0.45 0.42 0.47 -0.31 0.00 0.00 175.10 175.12 2ba1 n ASP 14 N 4.88 -3.20 0.00 4.85 8.00 -1.26 -3.15 116.55 126.66 2ba1 n ASP 14 Ca -0.05 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2ba1 n ASP 14 Cb 0.44 -2.16 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 2ba1 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ba1 n GLY 15 N -1.05 0.39 3.43 0.44 0.00 -1.26 -4.99 105.19 102.16 2ba1 n GLY 15 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 2.51 0.24 0.99 1.43 -1.19 -4.44 118.68 118.22 2ba1 s LEU 16 Ca 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2ba1 s LEU 16 Cb 0.00 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2ba1 s LEU 16 CO 0.00 0.23 0.48 -0.13 0.23 0.00 0.00 176.35 177.16 2ba1 s ARG 17 N -1.62 3.61 0.56 1.70 0.52 -0.72 -1.27 118.95 121.73 2ba1 s ARG 17 Ca 0.15 -0.10 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 2ba1 s ARG 17 Cb -0.10 -2.73 0.15 0.00 0.52 0.00 0.00 34.95 32.79 2ba1 s ARG 17 CO 0.06 0.31 0.91 1.28 0.02 0.00 0.00 175.30 177.87 2ba1 n LEU 18 N -0.69 0.00 -0.68 2.53 4.32 -1.22 0.22 117.00 121.49 2ba1 n LEU 18 Ca -0.03 0.47 0.08 0.00 -0.02 0.00 0.00 56.01 56.52 2ba1 n LEU 18 Cb 0.54 -0.04 0.07 0.00 -1.62 0.00 0.00 43.42 42.37 2ba1 n LEU 18 CO 0.48 -0.47 0.52 -0.90 -1.22 0.00 0.00 177.39 175.80 2ba1 n ASP 19 N -2.37 2.42 0.00 -1.43 5.75 -1.26 -4.99 116.55 114.67 2ba1 n ASP 19 Ca 0.04 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 2ba1 n ASP 19 Cb 0.95 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 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 0.94 0.52 3.90 6.12 0.00 0.61 -5.08 105.19 112.19 2ba1 n GLY 20 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2ba1 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ba1 s ARG 21 N -0.87 3.65 0.87 1.61 1.70 -1.25 -4.69 118.95 119.98 2ba1 s ARG 21 Ca 0.00 0.16 -0.14 0.00 -0.47 0.00 0.00 55.73 55.29 2ba1 s ARG 21 Cb 0.00 -2.52 0.13 0.00 -0.57 0.00 0.00 34.95 31.99 2ba1 s ARG 21 CO 0.00 0.06 1.23 0.15 -1.08 0.00 0.00 175.30 175.66 2ba1 s LYS 22 N -3.91 1.44 0.30 3.89 1.02 -1.26 -1.76 119.74 119.46 2ba1 s LYS 22 Ca 0.47 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.38 2ba1 s LYS 22 Cb -0.10 -1.91 0.55 0.00 -0.52 0.00 0.00 37.83 35.84 2ba1 s LYS 22 CO 0.33 -1.92 1.90 0.27 -0.92 0.00 0.00 175.35 175.01 2ba1 h PHE 23 N -1.29 1.04 -0.92 3.18 -0.00 -1.89 -2.88 116.94 114.17 2ba1 h PHE 23 Ca -0.45 0.03 -0.56 0.00 -0.00 0.00 0.00 57.97 56.99 2ba1 h PHE 23 Cb 1.29 -0.34 -0.29 0.00 -0.00 0.00 0.00 35.95 36.61 2ba1 h PHE 23 CO -0.25 0.53 0.60 -0.40 -0.00 0.00 0.00 178.31 178.78 2ba1 n ASP 24 N -4.50 5.35 -4.29 -0.68 5.75 -1.26 0.50 116.55 117.41 2ba1 n ASP 24 Ca 0.14 -3.71 -0.33 0.00 -0.01 0.00 0.00 54.79 50.88 2ba1 n ASP 24 Cb 0.22 -0.85 -0.15 0.00 -1.03 0.00 0.00 41.12 39.31 2ba1 n ASP 24 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2ba1 s GLU 25 N -3.53 3.24 0.58 0.11 2.12 -1.09 -4.94 118.70 115.19 2ba1 s GLU 25 Ca 0.59 -0.76 -0.16 0.00 0.36 0.00 0.00 54.97 55.00 2ba1 s GLU 25 Cb 0.48 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 2ba1 s GLU 25 CO 0.04 0.14 1.05 -0.51 -0.54 0.00 0.00 175.26 175.45 2ba1 s LEU 26 N 0.50 3.55 0.65 2.70 1.43 -1.26 -4.71 118.68 121.53 2ba1 s LEU 26 Ca -0.11 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2ba1 s LEU 26 Cb -0.16 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2ba1 s LEU 26 CO 0.05 -1.10 1.05 -0.13 0.23 0.00 0.00 176.35 176.45 2ba1 s ARG 27 N -3.97 3.15 0.27 1.70 0.52 -1.26 -4.94 118.95 114.42 2ba1 s ARG 27 Ca 0.64 1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 56.55 2ba1 s ARG 27 Cb -0.16 -2.02 -0.12 0.00 0.52 0.00 0.00 34.95 33.18 2ba1 s ARG 27 CO 0.35 -0.93 1.64 -0.35 0.02 0.00 0.00 175.30 176.02 2ba1 n PRO 28 N -2.71 2.76 -5.04 3.54 -0.04 -1.26 -4.56 135.00 127.69 2ba1 n PRO 28 Ca 0.08 0.99 -0.31 0.00 -0.04 0.00 0.00 63.50 64.21 2ba1 n PRO 28 Cb 0.53 -2.79 -0.15 0.00 -0.04 0.00 0.00 33.50 31.05 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 0.31 2.35 -0.07 0.52 1.01 -1.26 -0.99 121.20 123.07 2ba1 s ILE 29 Ca 0.67 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2ba1 s ILE 29 Cb -0.49 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.12 2ba1 s ILE 29 CO 0.44 0.49 -0.02 -0.75 0.00 0.00 0.00 174.94 175.10 2ba1 s LYS 30 N -0.92 0.73 -0.09 2.79 2.20 -0.07 -4.97 119.74 119.40 2ba1 s LYS 30 Ca 0.11 0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 2ba1 s LYS 30 Cb -0.10 -0.97 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 2ba1 s LYS 30 CO 0.01 -0.24 -0.14 0.42 -0.36 0.00 0.00 175.35 175.04 2ba1 s ILE 31 N 1.65 1.37 -0.09 5.43 1.01 -1.26 -0.97 121.20 128.34 2ba1 s ILE 31 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 2ba1 s ILE 31 Cb -0.13 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2ba1 s ILE 31 CO -0.04 0.41 -0.08 -1.61 0.00 0.00 0.00 174.94 173.63 2ba1 s GLU 32 N 0.87 1.42 0.71 2.79 2.02 -0.49 -4.69 118.70 121.33 2ba1 s GLU 32 Ca -0.10 -0.24 -0.05 0.00 0.02 0.00 0.00 54.97 54.59 2ba1 s GLU 32 Cb -0.15 -1.42 0.08 0.00 0.10 0.00 0.00 34.13 32.75 2ba1 s GLU 32 CO 0.01 -0.18 1.01 0.00 0.02 0.00 0.00 175.26 176.12 2ba1 s ALA 33 N 1.40 3.26 -0.58 5.21 0.00 -1.26 0.08 121.76 129.88 2ba1 s ALA 33 Ca -0.01 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2ba1 s ALA 33 Cb -0.13 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.57 2ba1 s ALA 33 CO -0.04 -1.38 0.51 0.43 0.00 0.00 0.00 175.76 175.28 2ba1 n SER 34 N -2.92 -4.09 -0.03 0.00 7.64 -0.74 -4.86 113.62 108.63 2ba1 n SER 34 Ca 0.10 -0.59 0.03 0.00 1.01 0.00 0.00 58.87 59.41 2ba1 n SER 34 Cb 0.60 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 2ba1 n SER 34 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ba1 n VAL 35 N -1.57 0.00 -4.76 0.44 0.24 -1.26 -4.98 118.33 106.43 2ba1 n VAL 35 Ca -0.21 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.34 61.38 2ba1 n VAL 35 Cb 0.57 1.02 -0.13 0.00 -1.47 0.00 0.00 33.84 33.83 2ba1 n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2ba1 s LEU 36 N -2.02 2.78 -0.12 1.34 1.43 -1.26 -5.04 118.68 115.79 2ba1 s LEU 36 Ca 0.03 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2ba1 s LEU 36 Cb 0.04 -1.59 -0.26 0.00 0.03 0.00 0.00 46.19 44.41 2ba1 s LEU 36 CO 0.20 0.31 0.45 0.50 0.23 0.00 0.00 176.35 178.05 2ba1 h LYS 37 N 5.00 0.23 -2.23 1.70 3.64 -2.00 -3.39 116.57 119.52 2ba1 h LYS 37 Ca -0.47 -0.39 -0.61 0.00 -1.27 0.00 0.00 60.65 57.91 2ba1 h LYS 37 Cb 1.16 0.15 -0.17 0.00 -0.41 0.00 0.00 32.23 32.95 2ba1 h LYS 37 CO 0.50 1.19 1.16 0.54 -2.27 0.00 0.00 179.45 180.57 2ba1 n ARG 38 N -3.82 3.33 -3.62 1.90 5.12 -1.26 -4.86 116.66 113.44 2ba1 n ARG 38 Ca -0.28 -2.90 -0.15 0.00 -1.93 0.00 0.00 57.85 52.58 2ba1 n ARG 38 Cb 0.93 -2.33 -0.07 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.76 -1.45 0.21 7.54 0.00 -1.26 -5.05 121.76 119.99 2ba1 s ALA 39 Ca 0.56 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.69 2ba1 s ALA 39 Cb 0.31 -0.31 0.16 0.00 0.00 0.00 0.00 23.12 23.28 2ba1 s ALA 39 CO -0.18 -0.32 1.59 -0.44 0.00 0.00 0.00 175.76 176.41 2ba1 h ASP 40 N 3.93 0.76 -5.04 0.00 3.32 -1.61 -3.45 116.42 114.33 2ba1 h ASP 40 Ca -0.28 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.35 2ba1 h ASP 40 Cb 1.16 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.31 2ba1 h ASP 40 CO 0.31 1.01 -0.35 -0.83 -1.72 0.00 0.00 179.24 177.66 2ba1 s GLY 41 N -3.91 -0.03 0.17 2.75 0.00 -0.78 -4.06 107.32 101.46 2ba1 s GLY 41 Ca -0.09 -0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 2ba1 s GLY 41 CO 0.84 -0.26 0.92 -1.35 0.00 0.00 0.00 173.10 173.25 2ba1 s SER 42 N -1.81 -0.20 -0.28 1.64 1.04 -1.24 -0.33 113.70 112.53 2ba1 s SER 42 Ca -0.08 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2ba1 s SER 42 Cb -0.03 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.73 2ba1 s SER 42 CO -0.01 -0.96 0.99 0.00 0.98 0.00 0.00 173.24 174.24 2ba1 s TYR 44 N 0.27 3.45 -0.08 0.00 5.04 0.11 -0.43 117.35 125.71 2ba1 s TYR 44 Ca 0.03 0.36 -0.06 0.00 -2.44 0.00 0.00 57.07 54.96 2ba1 s TYR 44 Cb -0.05 -1.84 0.03 0.00 0.35 0.00 0.00 41.96 40.45 2ba1 s TYR 44 CO -0.05 0.63 0.19 -1.17 -1.34 0.00 0.00 175.55 173.81 2ba1 s LEU 45 N -1.39 0.97 -0.14 6.97 1.98 0.94 -1.40 118.68 126.61 2ba1 s LEU 45 Ca 0.20 0.40 0.01 0.00 -2.89 0.00 0.00 54.13 51.85 2ba1 s LEU 45 Cb -0.12 0.62 0.02 0.00 0.66 0.00 0.00 46.19 47.36 2ba1 s LEU 45 CO 0.10 -0.10 -0.18 -1.61 -1.89 0.00 0.00 176.35 172.66 2ba1 s GLU 46 N 0.57 2.60 -0.33 1.98 2.02 -0.14 0.02 118.70 125.42 2ba1 s GLU 46 Ca -0.04 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2ba1 s GLU 46 Cb -0.05 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.07 2ba1 s GLU 46 CO -0.03 -0.12 0.10 1.41 0.02 0.00 0.00 175.26 176.65 2ba1 s MET 47 N 1.11 1.00 7.59 1.61 1.75 -0.41 -0.89 119.30 131.05 2ba1 s MET 47 Ca -0.02 -1.41 0.00 0.00 -1.25 0.00 0.00 55.69 53.01 2ba1 s MET 47 Cb -0.14 -2.37 0.00 0.00 2.84 0.00 0.00 34.83 35.16 2ba1 s MET 47 CO -0.06 -0.99 0.00 0.41 -0.65 0.00 0.00 175.02 173.73 2ba1 n GLY 48 N 4.53 2.79 0.84 2.11 0.00 -0.16 -1.33 105.19 113.96 2ba1 n GLY 48 Ca 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 13.04 2.09 -2.57 1.61 5.02 -1.26 -4.89 118.16 131.20 2ba1 n LYS 49 Ca 0.00 -1.65 -0.43 0.00 -2.02 0.00 0.00 58.31 54.21 2ba1 n LYS 49 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 2ba1 n LYS 49 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ba1 s ASN 50 N -1.51 7.09 -0.28 4.39 0.01 -0.44 -4.47 114.94 119.74 2ba1 s ASN 50 Ca 0.35 1.59 -0.02 0.00 -0.71 0.00 0.00 52.86 54.06 2ba1 s ASN 50 Cb 0.20 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 39.34 2ba1 s ASN 50 CO 0.28 -0.62 -0.01 -0.54 -1.51 0.00 0.00 177.10 174.70 2ba1 s LYS 51 N 2.75 2.65 0.03 -0.60 1.02 -0.16 -1.29 119.74 124.14 2ba1 s LYS 51 Ca 0.50 -1.12 0.06 0.00 0.02 0.00 0.00 55.97 55.43 2ba1 s LYS 51 Cb -0.19 -3.13 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2ba1 s LYS 51 CO 0.15 -0.52 -0.16 0.08 -0.92 0.00 0.00 175.35 173.97 2ba1 s VAL 52 N 1.31 1.30 -0.08 3.17 1.01 0.10 -0.22 120.40 126.98 2ba1 s VAL 52 Ca -0.02 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.96 2ba1 s VAL 52 Cb -0.18 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2ba1 s VAL 52 CO -0.02 0.11 -0.12 -0.51 0.00 0.00 0.00 175.10 174.57 2ba1 s ILE 53 N -0.77 1.16 -0.06 2.22 -1.16 0.02 -0.04 121.20 122.57 2ba1 s ILE 53 Ca 0.04 -0.46 0.03 0.00 -0.51 0.00 0.00 60.65 59.75 2ba1 s ILE 53 Cb -0.08 -1.08 -0.03 0.00 0.61 0.00 0.00 42.46 41.88 2ba1 s ILE 53 CO 0.01 0.37 -0.13 0.00 -2.81 0.00 0.00 174.94 172.38 2ba1 s ALA 54 N 0.95 2.72 -0.02 1.50 0.00 0.43 -1.01 121.76 126.32 2ba1 s ALA 54 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.93 2ba1 s ALA 54 Cb -0.15 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.95 2ba1 s ALA 54 CO 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 175.76 176.24 2ba1 s ALA 55 N -0.70 0.71 -0.07 0.00 0.00 0.96 -1.64 121.76 121.02 2ba1 s ALA 55 Ca 0.11 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2ba1 s ALA 55 Cb -0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2ba1 s ALA 55 CO 0.01 0.10 -0.20 0.08 0.00 0.00 0.00 175.76 175.74 2ba1 s VAL 56 N 0.29 1.73 -0.62 0.00 1.01 0.55 0.35 120.40 123.71 2ba1 s VAL 56 Ca -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 2ba1 s VAL 56 Cb -0.08 -1.50 0.16 0.00 0.00 0.00 0.00 36.38 34.96 2ba1 s VAL 56 CO 0.00 0.49 0.44 -0.36 0.00 0.00 0.00 175.10 175.67 2ba1 s PHE 57 N 0.20 3.39 0.00 5.22 0.40 -0.55 -1.53 117.98 125.12 2ba1 s PHE 57 Ca -0.11 -2.76 0.00 0.00 -0.60 0.00 0.00 56.93 53.47 2ba1 s PHE 57 Cb -0.15 -3.17 0.00 0.00 0.51 0.00 0.00 43.02 40.21 2ba1 s PHE 57 CO 0.05 -0.83 0.00 0.41 0.70 0.00 0.00 175.22 175.55 2ba1 n GLY 58 N 3.43 0.00 3.44 4.36 0.00 -1.26 -3.77 105.19 111.39 2ba1 n GLY 58 Ca 0.08 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.70 -4.51 1.61 -0.04 -1.26 -4.72 135.00 126.79 2ba1 n PRO 59 Ca 0.00 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.34 2ba1 n PRO 59 Cb 0.00 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 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 7.00 2.03 0.06 0.54 1.70 -0.51 -4.89 118.95 124.88 2ba1 s ARG 60 Ca 1.15 -2.06 -0.30 0.00 -0.47 0.00 0.00 55.73 54.05 2ba1 s ARG 60 Cb -0.94 -1.72 -0.05 0.00 -0.57 0.00 0.00 34.95 31.68 2ba1 s ARG 60 CO 0.48 -0.08 1.06 -1.83 -1.08 0.00 0.00 175.30 173.86 2ba1 s GLU 61 N -3.76 4.55 -0.03 3.89 1.03 -1.26 -0.56 118.70 122.55 2ba1 s GLU 61 Ca 0.36 1.58 -0.30 0.00 0.03 0.00 0.00 54.97 56.63 2ba1 s GLU 61 Cb 0.08 -3.38 -0.03 0.00 -0.80 0.00 0.00 34.13 30.00 2ba1 s GLU 61 CO 0.19 -0.05 1.10 0.54 -1.33 0.00 0.00 175.26 175.71 2ba1 s VAL 62 N 0.66 4.49 -0.08 1.83 0.11 -1.25 -4.81 120.40 121.35 2ba1 s VAL 62 Ca 0.53 1.79 -0.19 0.00 -2.93 0.00 0.00 61.98 61.17 2ba1 s VAL 62 Cb -0.25 -4.15 -0.15 0.00 -1.53 0.00 0.00 36.38 30.30 2ba1 s VAL 62 CO 0.30 0.06 0.67 0.45 -3.33 0.00 0.00 175.10 173.25 2ba1 h HIS 63 N 7.07 -0.11 -2.12 1.54 3.86 -1.95 -3.41 115.15 120.03 2ba1 h HIS 63 Ca -0.37 -0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.33 2ba1 h HIS 63 Cb 1.18 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.66 2ba1 h HIS 63 CO 0.70 0.38 1.34 -1.25 0.86 0.00 0.00 177.93 179.96 2ba1 s PRO 64 N -2.73 2.75 0.42 2.45 0.04 -1.26 -4.82 135.00 131.84 2ba1 s PRO 64 Ca -0.12 0.76 0.33 0.00 0.04 0.00 0.00 61.00 62.02 2ba1 s PRO 64 Cb -0.01 -4.35 1.36 0.00 0.04 0.00 0.00 34.50 31.55 2ba1 s PRO 64 CO 0.43 -2.58 1.35 0.54 0.04 0.00 0.00 177.00 176.78 2ba1 n ARG 65 N 9.03 -0.02 0.12 4.56 1.74 -1.26 0.00 116.66 130.83 2ba1 n ARG 65 Ca 0.21 1.03 0.12 0.00 -0.77 0.00 0.00 57.85 58.44 2ba1 n ARG 65 Cb 0.51 -2.15 0.47 0.00 -1.02 0.00 0.00 32.46 30.28 2ba1 n ARG 65 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2ba1 n HIS 66 N -4.17 0.79 0.63 -1.55 1.44 -1.26 -2.17 115.22 108.93 2ba1 n HIS 66 Ca 0.36 0.29 0.11 0.00 -2.01 0.00 0.00 57.72 56.47 2ba1 n HIS 66 Cb 1.49 -0.97 0.27 0.00 0.12 0.00 0.00 29.99 30.90 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 -2.20 2.75 -4.58 2.39 4.77 0.10 -4.88 117.00 115.34 2ba1 n LEU 67 Ca 0.03 -1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 54.38 2ba1 n LEU 67 Cb 0.26 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2ba1 n LEU 67 CO 0.21 0.60 0.61 -1.58 -1.33 0.00 0.00 177.39 175.91 2ba1 s GLN 68 N -1.57 3.72 -0.36 3.23 0.74 -0.92 -4.89 119.66 119.62 2ba1 s GLN 68 Ca 0.36 0.31 -0.22 0.00 0.05 0.00 0.00 55.36 55.86 2ba1 s GLN 68 Cb 0.20 -3.83 0.01 0.00 1.10 0.00 0.00 33.01 30.49 2ba1 s GLN 68 CO 0.29 -0.91 0.70 0.34 -0.55 0.00 0.00 175.29 175.16 2ba1 s ASP 69 N 1.89 6.48 0.59 6.67 -1.08 -1.26 -4.94 116.67 125.03 2ba1 s ASP 69 Ca 0.32 0.25 0.29 0.00 -0.52 0.00 0.00 52.55 52.89 2ba1 s ASP 69 Cb -0.13 -2.36 1.69 0.00 -1.46 0.00 0.00 42.92 40.66 2ba1 s ASP 69 CO 0.18 -0.65 2.12 1.55 0.52 0.00 0.00 175.17 178.89 2ba1 h PRO 70 N 8.45 0.00 0.00 4.34 0.13 -1.95 -0.42 132.00 142.56 2ba1 h PRO 70 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2ba1 h PRO 70 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2ba1 h PRO 70 CO 0.87 0.00 -1.00 -1.13 -0.23 0.00 0.00 178.00 176.51 2ba1 n SER 71 N -3.78 0.92 -3.54 1.44 3.41 -1.26 -4.43 113.62 106.37 2ba1 n SER 71 Ca 0.01 -0.61 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 2ba1 n SER 71 Cb 0.30 1.20 -0.03 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.61 1.22 0.73 4.33 -2.85 -1.17 -4.61 119.74 114.78 2ba1 s LYS 72 Ca 0.02 -0.61 -0.13 0.00 -1.00 0.00 0.00 55.97 54.26 2ba1 s LYS 72 Cb 0.11 0.54 0.04 0.00 -2.06 0.00 0.00 37.83 36.46 2ba1 s LYS 72 CO 0.63 -0.51 1.11 0.00 0.10 0.00 0.00 175.35 176.68 2ba1 s ALA 73 N -3.79 2.27 -0.01 0.59 0.00 -0.05 -3.66 121.76 117.11 2ba1 s ALA 73 Ca 0.03 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2ba1 s ALA 73 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2ba1 s ALA 73 CO -0.11 -1.65 -0.05 0.96 0.00 0.00 0.00 175.76 174.91 2ba1 s ILE 74 N -2.57 3.80 -0.11 0.00 -4.36 -0.44 -4.90 121.20 112.62 2ba1 s ILE 74 Ca 0.65 -0.66 -0.02 0.00 -0.26 0.00 0.00 60.65 60.35 2ba1 s ILE 74 Cb -0.20 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 2ba1 s ILE 74 CO 0.49 0.43 -0.02 -0.63 0.24 0.00 0.00 174.94 175.46 2ba1 s ILE 75 N -0.98 4.10 0.01 8.37 1.09 -1.26 -1.74 121.20 130.79 2ba1 s ILE 75 Ca 0.17 -0.31 0.05 0.00 -1.10 0.00 0.00 60.65 59.45 2ba1 s ILE 75 Cb -0.11 -2.75 -0.02 0.00 -1.06 0.00 0.00 42.46 38.52 2ba1 s ILE 75 CO 0.07 0.55 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.18 2ba1 s ARG 76 N -0.33 1.12 -0.03 2.79 0.52 -1.13 -5.00 118.95 116.88 2ba1 s ARG 76 Ca 0.06 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2ba1 s ARG 76 Cb -0.12 -1.11 0.03 0.00 0.52 0.00 0.00 34.95 34.27 2ba1 s ARG 76 CO 0.02 0.29 0.05 -0.47 0.02 0.00 0.00 175.30 175.21 2ba1 s TYR 77 N -0.54 0.01 -0.21 -0.53 5.04 -1.26 -0.91 117.35 118.95 2ba1 s TYR 77 Ca 0.04 0.20 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2ba1 s TYR 77 Cb -0.07 -0.27 0.04 0.00 0.35 0.00 0.00 41.96 42.02 2ba1 s TYR 77 CO 0.00 -0.12 -0.11 0.50 -1.34 0.00 0.00 175.55 174.48 2ba1 s ARG 78 N 1.33 2.14 -0.12 4.97 3.52 -0.26 -4.72 118.95 125.81 2ba1 s ARG 78 Ca -0.06 -0.93 -0.14 0.00 -0.13 0.00 0.00 55.73 54.47 2ba1 s ARG 78 Cb -0.13 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 2ba1 s ARG 78 CO -0.03 -0.44 0.34 -0.47 -0.81 0.00 0.00 175.30 173.89 2ba1 s TYR 79 N 1.34 3.52 -0.04 5.12 5.04 -1.26 -1.18 117.35 129.89 2ba1 s TYR 79 Ca -0.02 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.24 2ba1 s TYR 79 Cb -0.17 -2.35 0.01 0.00 0.35 0.00 0.00 41.96 39.81 2ba1 s TYR 79 CO -0.08 0.33 0.19 1.21 -1.34 0.00 0.00 175.55 175.86 2ba1 s ASN 80 N 0.14 -0.12 -0.18 4.32 2.47 -0.63 -4.82 114.94 116.13 2ba1 s ASN 80 Ca 0.19 0.14 -0.05 0.00 0.42 0.00 0.00 52.86 53.56 2ba1 s ASN 80 Cb -0.14 0.33 -0.03 0.00 -1.45 0.00 0.00 41.25 39.96 2ba1 s ASN 80 CO 0.07 -0.23 -0.00 -0.04 -3.72 0.00 0.00 177.10 173.17 2ba1 s MET 81 N -0.63 3.70 0.42 0.43 -1.94 -1.26 -1.46 119.30 118.56 2ba1 s MET 81 Ca -0.07 -0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 53.16 2ba1 s MET 81 Cb -0.04 -3.04 -0.08 0.00 2.01 0.00 0.00 34.83 33.67 2ba1 s MET 81 CO 0.01 0.15 1.31 0.00 -0.01 0.00 0.00 175.02 176.48 2ba1 s ALA 82 N 0.64 3.23 0.40 3.03 0.00 -0.87 -4.79 121.76 123.41 2ba1 s ALA 82 Ca -0.00 1.24 0.18 0.00 0.00 0.00 0.00 51.96 53.38 2ba1 s ALA 82 Cb -0.14 -3.49 1.09 0.00 0.00 0.00 0.00 23.12 20.58 2ba1 s ALA 82 CO 0.02 -0.86 1.80 -1.35 0.00 0.00 0.00 175.76 175.37 2ba1 h PRO 83 N 2.58 0.39 -0.03 0.00 0.11 -1.92 0.12 132.00 133.26 2ba1 h PRO 83 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ba1 h PRO 83 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ba1 h PRO 83 CO 0.62 0.26 0.00 1.97 -0.21 0.00 0.00 178.00 180.64 2ba1 n PHE 84 N -4.58 0.02 0.31 0.65 -1.74 -1.26 -1.03 117.46 109.83 2ba1 n PHE 84 Ca 0.23 -0.01 0.15 0.00 -0.56 0.00 0.00 57.45 57.26 2ba1 n PHE 84 Cb 0.82 0.00 0.49 0.00 1.52 0.00 0.00 39.48 42.31 2ba1 n PHE 84 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 2ba1 h SER 85 N 1.82 0.00 -0.97 5.98 4.64 -1.04 -3.46 113.55 120.52 2ba1 h SER 85 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2ba1 h SER 85 Cb 0.39 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 2ba1 h SER 85 CO 0.00 0.00 -0.34 0.68 -0.87 0.00 0.00 176.83 176.30 2ba1 s VAL 86 N -3.45 2.04 0.21 0.95 -7.23 -1.26 -1.28 120.40 110.38 2ba1 s VAL 86 Ca 0.04 -1.45 -0.08 0.00 -1.81 0.00 0.00 61.98 58.67 2ba1 s VAL 86 Cb 0.08 -2.49 0.16 0.00 0.56 0.00 0.00 36.38 34.69 2ba1 s VAL 86 CO 0.56 0.00 1.80 1.05 -0.31 0.00 0.00 175.10 178.20 2ba1 h GLU 87 N 0.89 1.15 -4.98 4.82 9.09 -1.93 -3.39 114.58 120.23 2ba1 h GLU 87 Ca -0.38 -0.18 -0.66 0.00 0.05 0.00 0.00 59.36 58.18 2ba1 h GLU 87 Cb 1.29 -0.20 -0.30 0.00 -1.65 0.00 0.00 28.75 27.88 2ba1 h GLU 87 CO 0.58 0.90 -0.75 -1.21 0.05 0.00 0.00 179.01 178.58 2ba1 s GLU 88 N -5.67 3.16 -0.36 1.06 2.02 -1.26 -5.04 118.70 112.62 2ba1 s GLU 88 Ca -0.13 -0.76 -0.33 0.00 0.02 0.00 0.00 54.97 53.78 2ba1 s GLU 88 Cb 0.15 -2.94 -0.14 0.00 0.10 0.00 0.00 34.13 31.30 2ba1 s GLU 88 CO 0.83 -0.26 1.33 -2.13 0.02 0.00 0.00 175.26 175.04 2ba1 n ARG 89 N 4.74 0.00 -3.20 1.61 0.00 -1.26 -4.86 116.66 113.68 2ba1 n ARG 89 Ca -0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.28 2ba1 n ARG 89 Cb 0.50 -1.08 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 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 3.13 4.30 0.02 -0.14 2.20 -0.20 -5.01 119.74 124.05 2ba1 s LYS 90 Ca 0.81 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 2ba1 s LYS 90 Cb -1.08 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 31.84 2ba1 s LYS 90 CO 0.54 0.43 1.75 0.50 -0.36 0.00 0.00 175.35 178.21 2ba1 s ARG 91 N -0.42 4.17 0.85 4.03 3.52 -1.26 -4.22 118.95 125.61 2ba1 s ARG 91 Ca 0.31 2.38 -0.12 0.00 -0.13 0.00 0.00 55.73 58.17 2ba1 s ARG 91 Cb -0.19 -3.88 0.11 0.00 -1.56 0.00 0.00 34.95 29.43 2ba1 s ARG 91 CO 0.18 -0.84 1.18 -1.25 -0.81 0.00 0.00 175.30 173.76 2ba1 s PRO 92 N 3.59 1.43 0.00 5.12 0.04 -1.26 -4.88 135.00 139.04 2ba1 s PRO 92 Ca 0.78 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2ba1 s PRO 92 Cb -0.39 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2ba1 s PRO 92 CO 0.34 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.45 2ba1 n GLY 93 N 0.29 2.39 3.73 0.56 0.00 -1.26 -5.04 105.19 105.86 2ba1 n GLY 93 Ca 0.13 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 1.51 1.42 -4.35 1.61 -0.04 -1.26 -4.97 135.00 128.92 2ba1 n PRO 94 Ca 0.00 0.53 -0.19 0.00 -0.04 0.00 0.00 63.50 63.80 2ba1 n PRO 94 Cb 0.00 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 30.85 2ba1 n PRO 94 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2ba1 s ASP 95 N -1.10 1.63 0.27 3.54 3.84 -1.26 -5.02 116.67 118.58 2ba1 s ASP 95 Ca 0.76 -1.53 -0.03 0.00 -0.00 0.00 0.00 52.55 51.75 2ba1 s ASP 95 Cb -0.41 0.34 0.40 0.00 -1.38 0.00 0.00 42.92 41.87 2ba1 s ASP 95 CO 0.46 -0.86 1.91 0.03 -0.00 0.00 0.00 175.17 176.72 2ba1 h ARG 96 N 2.20 1.16 -0.71 2.11 3.08 -2.00 -1.93 114.38 118.29 2ba1 h ARG 96 Ca -0.35 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.56 2ba1 h ARG 96 Cb 1.25 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 2ba1 h ARG 96 CO 0.54 0.77 0.17 -0.09 -1.07 0.00 0.00 179.97 180.29 2ba1 h ARG 97 N 1.20 1.14 -0.19 0.04 2.43 -1.99 -2.44 114.38 114.57 2ba1 h ARG 97 Ca 0.39 -0.28 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 2ba1 h ARG 97 Cb 0.04 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2ba1 h ARG 97 CO -0.13 1.01 -0.62 0.77 -1.51 0.00 0.00 179.97 179.49 2ba1 h SER 98 N 1.08 0.87 -0.26 -3.80 0.02 -1.79 -1.47 113.55 108.20 2ba1 h SER 98 Ca 0.22 -0.60 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2ba1 h SER 98 Cb 0.38 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2ba1 h SER 98 CO 0.00 1.32 0.10 0.40 -1.14 0.00 0.00 176.83 177.51 2ba1 h ILE 99 N 0.47 0.95 0.20 3.27 2.04 -1.36 0.12 117.51 123.20 2ba1 h ILE 99 Ca -0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2ba1 h ILE 99 Cb 1.24 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 2ba1 h ILE 99 CO 0.13 0.04 -0.29 -0.08 0.00 0.00 0.00 178.15 177.95 2ba1 h GLU 100 N 0.23 -0.54 -0.85 2.37 4.22 -1.41 -0.22 114.58 118.38 2ba1 h GLU 100 Ca 0.11 0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.66 2ba1 h GLU 100 Cb 0.07 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 2ba1 h GLU 100 CO -0.10 -0.36 0.55 0.82 -2.18 0.00 0.00 179.01 177.74 2ba1 h ILE 101 N -0.56 1.03 -0.50 2.32 2.04 -1.03 -1.02 117.51 119.80 2ba1 h ILE 101 Ca 0.01 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 2ba1 h ILE 101 Cb 0.55 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2ba1 h ILE 101 CO -0.12 0.17 -0.01 0.28 0.00 0.00 0.00 178.15 178.47 2ba1 h SER 102 N 0.92 0.80 0.34 1.72 0.02 -0.05 -1.57 113.55 115.73 2ba1 h SER 102 Ca 0.37 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2ba1 h SER 102 Cb 0.27 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2ba1 h SER 102 CO -0.14 0.87 -0.16 0.50 -1.14 0.00 0.00 176.83 176.76 2ba1 h LYS 103 N 0.77 -0.43 -0.54 3.45 3.64 0.24 0.18 116.57 123.88 2ba1 h LYS 103 Ca 0.15 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2ba1 h LYS 103 Cb 0.48 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 2ba1 h LYS 103 CO 0.02 -0.12 0.27 -0.39 -2.27 0.00 0.00 179.45 176.96 2ba1 h VAL 104 N -0.78 1.18 -0.37 2.00 -1.51 -1.41 -0.43 116.25 114.92 2ba1 h VAL 104 Ca -0.05 -0.48 -0.05 0.00 -1.23 0.00 0.00 66.70 64.89 2ba1 h VAL 104 Cb 0.51 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2ba1 h VAL 104 CO 0.08 0.20 0.04 0.28 -1.23 0.00 0.00 177.57 176.93 2ba1 h SER 105 N 0.75 0.61 -0.20 4.19 0.02 -1.25 -0.52 113.55 117.16 2ba1 h SER 105 Ca 0.19 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2ba1 h SER 105 Cb 0.06 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 2ba1 h SER 105 CO -0.03 0.74 -0.08 0.50 -1.14 0.00 0.00 176.83 176.83 2ba1 h LYS 106 N 0.46 -0.04 0.00 3.45 3.64 0.12 -2.39 116.57 121.82 2ba1 h LYS 106 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2ba1 h LYS 106 Cb 0.40 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2ba1 h LYS 106 CO 0.01 -0.03 -0.05 0.93 -2.27 0.00 0.00 179.45 178.05 2ba1 h GLU 107 N -0.04 0.00 0.00 1.90 5.08 -0.76 -2.05 114.58 118.71 2ba1 h GLU 107 Ca 0.10 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 2ba1 h GLU 107 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2ba1 h GLU 107 CO -0.23 0.05 -0.43 0.00 -1.00 0.00 0.00 179.01 177.40 2ba1 h ALA 108 N 1.95 1.17 0.00 3.43 0.00 -0.56 -3.07 119.26 122.17 2ba1 h ALA 108 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ba1 h ALA 108 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ba1 h ALA 108 CO 0.01 0.54 -1.23 1.19 0.00 0.00 0.00 179.25 179.76 2ba1 n PHE 109 N -3.85 0.51 0.30 0.00 3.01 -0.82 -4.00 117.46 112.60 2ba1 n PHE 109 Ca -0.01 0.15 0.18 0.00 1.01 0.00 0.00 57.45 58.78 2ba1 n PHE 109 Cb 0.48 -0.67 0.90 0.00 -0.01 0.00 0.00 39.48 40.18 2ba1 n PHE 109 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2ba1 h GLU 110 N 0.00 0.00 0.00 -1.08 5.08 -1.33 0.18 114.58 117.43 2ba1 h GLU 110 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ba1 h GLU 110 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2ba1 h GLU 110 CO 0.00 0.03 -1.51 0.00 -1.00 0.00 0.00 179.01 176.52 2ba1 n ALA 111 N -2.13 2.89 -0.12 3.43 0.00 -1.25 -4.51 120.51 118.83 2ba1 n ALA 111 Ca -0.01 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 52.85 2ba1 n ALA 111 Cb 0.20 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.31 1.37 -2.25 0.00 0.31 -0.91 -4.90 118.33 109.64 2ba1 n VAL 112 Ca -0.02 -0.55 -0.41 0.00 -0.01 0.00 0.00 64.34 63.35 2ba1 n VAL 112 Cb 0.53 -1.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 2ba1 n VAL 112 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ba1 s ILE 113 N -2.48 3.18 -1.28 2.52 1.01 0.60 -0.86 121.20 123.89 2ba1 s ILE 113 Ca -0.30 1.05 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 2ba1 s ILE 113 Cb 0.08 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 39.02 2ba1 s ILE 113 CO 0.58 0.19 1.74 0.23 0.00 0.00 0.00 174.94 177.67 2ba1 n MET 114 N 1.99 3.38 0.25 2.79 2.81 -0.58 -4.81 117.12 122.95 2ba1 n MET 114 Ca 0.03 -3.50 0.11 0.00 -1.81 0.00 0.00 57.70 52.53 2ba1 n MET 114 Cb 0.43 -3.09 0.68 0.00 -0.71 0.00 0.00 33.22 30.52 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 6.55 0.00 0.00 0.03 2.10 -1.90 -3.07 116.57 120.27 2ba1 h LYS 115 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 2ba1 h LYS 115 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 2ba1 h LYS 115 CO 1.49 0.14 0.00 1.05 -2.00 0.00 0.00 179.45 180.13 2ba1 h GLU 116 N 0.00 0.00 -0.00 0.07 -0.00 -1.87 0.04 114.58 112.81 2ba1 h GLU 116 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2ba1 h GLU 116 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.10 2ba1 h GLU 116 CO 0.02 0.00 -0.08 1.28 -0.00 0.00 0.00 179.01 180.23 2ba1 n LEU 117 N -2.40 0.11 -3.22 3.06 4.77 -1.16 -4.34 117.00 113.82 2ba1 n LEU 117 Ca -0.01 0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 56.09 2ba1 n LEU 117 Cb 0.08 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 2ba1 n LEU 117 CO 0.13 0.02 -0.23 0.49 -1.33 0.00 0.00 177.39 176.48 2ba1 n PHE 118 N -1.42 0.36 -1.73 -1.77 3.01 -0.89 -5.04 117.46 109.98 2ba1 n PHE 118 Ca 0.09 -3.68 -0.40 0.00 1.01 0.00 0.00 57.45 54.46 2ba1 n PHE 118 Cb 0.32 -0.39 0.02 0.00 -0.01 0.00 0.00 39.48 39.42 2ba1 n PHE 118 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2ba1 n PRO 119 N 1.21 2.00 -1.65 -1.08 -0.02 -1.26 -2.15 135.00 132.05 2ba1 n PRO 119 Ca 0.23 0.71 -0.19 0.00 -2.02 0.00 0.00 63.50 62.23 2ba1 n PRO 119 Cb 0.52 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 2ba1 n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ba1 n ARG 120 N -0.21 -1.35 -3.85 -0.52 1.74 -0.17 -4.84 116.66 107.45 2ba1 n ARG 120 Ca 0.07 1.14 -0.25 0.00 -0.77 0.00 0.00 57.85 58.04 2ba1 n ARG 120 Cb 0.41 -5.48 -0.01 0.00 -1.02 0.00 0.00 32.46 26.36 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 -2.72 4.67 -0.01 0.55 0.01 -0.99 -3.82 113.70 111.39 2ba1 s SER 121 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2ba1 s SER 121 Cb 0.00 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.50 2ba1 s SER 121 CO 0.00 -1.03 0.01 0.00 0.41 0.00 0.00 173.24 172.62 2ba1 s ALA 122 N -2.73 0.02 -0.35 1.44 0.00 0.27 -1.33 121.76 119.09 2ba1 s ALA 122 Ca 0.36 0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2ba1 s ALA 122 Cb -0.02 -0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.14 2ba1 s ALA 122 CO 0.22 -0.03 0.09 0.42 0.00 0.00 0.00 175.76 176.47 2ba1 s ILE 123 N 0.29 1.76 -0.22 0.00 1.01 -0.71 -1.43 121.20 121.90 2ba1 s ILE 123 Ca -0.02 -2.11 -0.15 0.00 0.00 0.00 0.00 60.65 58.37 2ba1 s ILE 123 Cb -0.03 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2ba1 s ILE 123 CO -0.01 -0.66 0.37 -1.81 0.00 0.00 0.00 174.94 172.84 2ba1 s ASP 124 N 1.02 6.37 -0.22 3.58 1.11 -1.25 -2.84 116.67 124.45 2ba1 s ASP 124 Ca 0.11 0.44 -0.06 0.00 0.18 0.00 0.00 52.55 53.23 2ba1 s ASP 124 Cb -0.19 -2.22 -0.02 0.00 1.07 0.00 0.00 42.92 41.56 2ba1 s ASP 124 CO -0.13 -0.09 0.02 -0.63 1.18 0.00 0.00 175.17 175.52 2ba1 s ILE 125 N 1.44 3.98 -0.14 0.77 1.01 -0.09 -1.48 121.20 126.70 2ba1 s ILE 125 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2ba1 s ILE 125 Cb -0.15 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 2ba1 s ILE 125 CO 0.08 0.40 -0.17 -0.36 0.00 0.00 0.00 174.94 174.89 2ba1 s PHE 126 N 1.28 2.73 -0.10 3.97 0.40 0.16 -1.11 117.98 125.31 2ba1 s PHE 126 Ca 0.04 -0.96 0.00 0.00 -0.60 0.00 0.00 56.93 55.41 2ba1 s PHE 126 Cb -0.15 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.57 2ba1 s PHE 126 CO 0.01 -0.40 -0.08 0.08 0.70 0.00 0.00 175.22 175.53 2ba1 s VAL 127 N 0.59 1.02 -0.07 -0.44 1.01 -0.33 -0.03 120.40 122.15 2ba1 s VAL 127 Ca -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2ba1 s VAL 127 Cb -0.16 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2ba1 s VAL 127 CO 0.03 0.36 -0.16 -0.70 0.00 0.00 0.00 175.10 174.63 2ba1 s GLU 128 N 1.42 2.75 -0.28 2.72 2.56 -0.18 -1.60 118.70 126.09 2ba1 s GLU 128 Ca -0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 54.97 54.14 2ba1 s GLU 128 Cb -0.13 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.58 2ba1 s GLU 128 CO -0.05 0.46 0.12 0.54 -0.56 0.00 0.00 175.26 175.77 2ba1 s VAL 129 N -0.31 4.57 0.03 3.70 0.11 -0.54 -0.80 120.40 127.16 2ba1 s VAL 129 Ca 0.02 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 2ba1 s VAL 129 Cb -0.13 -3.23 -0.24 0.00 -1.53 0.00 0.00 36.38 31.25 2ba1 s VAL 129 CO 0.03 0.20 0.95 -0.07 -3.33 0.00 0.00 175.10 172.88 2ba1 h LEU 130 N 8.31 0.12 -7.46 2.54 3.38 -0.94 -2.31 115.31 118.95 2ba1 h LEU 130 Ca -0.35 -0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.20 2ba1 h LEU 130 Cb 1.16 -0.04 -0.32 0.00 0.09 0.00 0.00 40.66 41.55 2ba1 h LEU 130 CO 0.59 1.14 -0.62 -1.58 0.09 0.00 0.00 178.44 178.06 2ba1 s GLN 131 N -2.65 0.07 0.13 1.13 0.74 -0.90 -3.69 119.66 114.49 2ba1 s GLN 131 Ca -0.04 0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.77 2ba1 s GLN 131 Cb 0.08 -0.18 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 2ba1 s GLN 131 CO 0.83 -0.16 -0.09 0.00 -0.55 0.00 0.00 175.29 175.32 2ba1 s ALA 132 N 1.10 2.97 0.08 1.58 0.00 -0.41 -0.99 121.76 126.08 2ba1 s ALA 132 Ca -0.09 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.56 2ba1 s ALA 132 Cb -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2ba1 s ALA 132 CO -0.05 0.58 0.10 -3.47 0.00 0.00 0.00 175.76 172.92 2ba1 n ASP 133 N 0.45 -0.27 -4.77 0.00 2.03 -1.26 -4.82 116.55 107.91 2ba1 n ASP 133 Ca -0.12 -1.43 -0.37 0.00 0.52 0.00 0.00 54.79 53.38 2ba1 n ASP 133 Cb 0.53 0.52 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 -1.94 2.92 0.00 -1.67 0.00 -1.26 -3.38 121.76 116.43 2ba1 s ALA 134 Ca 0.07 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2ba1 s ALA 134 Cb -0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2ba1 s ALA 134 CO 0.05 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2ba1 n GLY 135 N 0.49 0.78 0.36 0.00 0.00 -1.26 -4.82 105.19 100.73 2ba1 n GLY 135 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.30 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 0.59 -0.78 1.61 4.64 -1.94 0.86 113.55 118.53 2ba1 h SER 136 Ca 0.00 0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2ba1 h SER 136 Cb 0.00 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2ba1 h SER 136 CO 0.00 0.06 0.51 -0.09 -0.87 0.00 0.00 176.83 176.44 2ba1 h ARG 137 N 0.49 1.00 -0.16 4.77 2.43 -1.92 0.05 114.38 121.04 2ba1 h ARG 137 Ca 0.65 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.74 2ba1 h ARG 137 Cb 1.40 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2ba1 h ARG 137 CO -0.46 0.66 -0.01 1.15 -1.51 0.00 0.00 179.97 179.81 2ba1 h THR 138 N 1.03 1.26 -0.86 0.20 2.02 0.24 -2.94 112.91 113.87 2ba1 h THR 138 Ca 0.29 -0.87 0.05 0.00 0.77 0.00 0.00 66.41 66.65 2ba1 h THR 138 Cb -0.09 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.78 2ba1 h THR 138 CO -0.07 0.26 0.54 0.00 0.37 0.00 0.00 175.52 176.62 2ba1 h ALA 139 N 0.76 1.16 -0.54 6.16 0.00 -0.39 -2.51 119.26 123.90 2ba1 h ALA 139 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ba1 h ALA 139 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2ba1 h ALA 139 CO 0.01 0.34 0.08 0.00 0.00 0.00 0.00 179.25 179.68 2ba1 h LEU 141 N 0.81 0.74 -0.83 0.00 3.38 -1.28 0.84 115.31 118.96 2ba1 h LEU 141 Ca 0.17 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2ba1 h LEU 141 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ba1 h LEU 141 CO 0.01 0.76 -0.33 0.78 0.09 0.00 0.00 178.44 179.75 2ba1 h ASN 142 N 0.68 0.50 -0.05 -0.43 2.35 -1.20 -0.54 115.58 116.89 2ba1 h ASN 142 Ca 0.16 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2ba1 h ASN 142 Cb 0.29 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2ba1 h ASN 142 CO -0.00 0.80 -0.05 0.00 -1.65 0.00 0.00 177.43 176.53 2ba1 h ALA 143 N 1.23 0.07 -0.90 -0.83 0.00 -0.70 -2.57 119.26 115.56 2ba1 h ALA 143 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2ba1 h ALA 143 Cb 0.78 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2ba1 h ALA 143 CO 0.06 -0.14 0.58 0.00 0.00 0.00 0.00 179.25 179.75 2ba1 h ALA 144 N 0.54 1.21 -0.80 0.00 0.00 0.85 0.95 119.26 122.01 2ba1 h ALA 144 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ba1 h ALA 144 Cb 0.56 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2ba1 h ALA 144 CO 0.01 0.41 0.32 1.03 0.00 0.00 0.00 179.25 181.02 2ba1 h SER 145 N 1.10 1.11 -0.21 0.00 0.87 -1.08 0.20 113.55 115.53 2ba1 h SER 145 Ca 0.37 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2ba1 h SER 145 Cb 0.06 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2ba1 h SER 145 CO -0.14 0.98 -0.14 0.58 -0.53 0.00 0.00 176.83 177.59 2ba1 h VAL 146 N 1.17 1.31 -0.99 2.23 2.07 -0.94 -2.79 116.25 118.31 2ba1 h VAL 146 Ca 0.27 -1.24 0.11 0.00 0.82 0.00 0.00 66.70 66.66 2ba1 h VAL 146 Cb 0.21 1.67 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 2ba1 h VAL 146 CO -0.02 0.38 0.63 0.00 0.02 0.00 0.00 177.57 178.57 2ba1 h ALA 147 N 0.69 1.54 -0.07 1.67 0.00 -0.44 0.59 119.26 123.24 2ba1 h ALA 147 Ca 0.04 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2ba1 h ALA 147 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ba1 h ALA 147 CO 0.04 0.23 -0.34 -0.07 0.00 0.00 0.00 179.25 179.10 2ba1 h LEU 148 N 0.99 0.13 0.13 0.00 3.38 -0.79 -0.99 115.31 118.17 2ba1 h LEU 148 Ca 0.48 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 58.13 2ba1 h LEU 148 Cb 0.47 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ba1 h LEU 148 CO -0.25 0.48 -1.28 0.58 0.09 0.00 0.00 178.44 178.06 2ba1 h VAL 149 N 0.12 1.47 -0.44 1.22 2.07 -0.95 -2.36 116.25 117.38 2ba1 h VAL 149 Ca 0.01 -3.03 -0.01 0.00 0.82 0.00 0.00 66.70 64.49 2ba1 h VAL 149 Cb 0.67 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 2ba1 h VAL 149 CO 0.05 0.89 0.23 -0.78 0.02 0.00 0.00 177.57 177.97 2ba1 h ASP 150 N 0.08 0.53 0.29 0.57 -0.00 -0.68 0.63 116.42 117.83 2ba1 h ASP 150 Ca -0.15 -0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.85 2ba1 h ASP 150 Cb 1.99 -0.13 0.00 0.00 -0.00 0.00 0.00 39.33 41.18 2ba1 h ASP 150 CO 0.21 0.44 -0.02 0.00 -0.00 0.00 0.00 179.24 179.86 2ba1 n ALA 151 N -2.47 2.63 -1.97 -0.78 0.00 -0.40 -4.71 120.51 112.81 2ba1 n ALA 151 Ca 0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.08 2ba1 n ALA 151 Cb 0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 1.18 0.63 3.69 0.00 0.00 0.21 -4.85 105.19 106.05 2ba1 n GLY 152 Ca 0.18 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2ba1 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ba1 s VAL 153 N -2.80 4.91 0.22 1.61 0.11 -0.92 -4.99 120.40 118.54 2ba1 s VAL 153 Ca 0.00 1.73 -0.32 0.00 -2.93 0.00 0.00 61.98 60.46 2ba1 s VAL 153 Cb 0.00 -4.17 -0.14 0.00 -1.53 0.00 0.00 36.38 30.54 2ba1 s VAL 153 CO 0.00 0.12 1.39 -2.65 -3.33 0.00 0.00 175.10 170.63 2ba1 n PRO 154 N 4.48 1.91 -3.80 1.54 -0.02 -1.26 -4.74 135.00 133.11 2ba1 n PRO 154 Ca 0.04 0.68 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 2ba1 n PRO 154 Cb 0.50 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.23 0.71 0.61 -0.52 -1.94 -1.26 -1.52 119.30 115.14 2ba1 s MET 155 Ca 0.70 -0.50 0.39 0.00 -1.71 0.00 0.00 55.69 54.58 2ba1 s MET 155 Cb -0.69 0.30 1.86 0.00 2.01 0.00 0.00 34.83 38.32 2ba1 s MET 155 CO 0.49 -0.21 2.17 0.87 -0.01 0.00 0.00 175.02 178.32 2ba1 h LYS 156 N 3.51 0.00 0.00 2.03 1.57 -1.35 -3.48 116.57 118.86 2ba1 h LYS 156 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2ba1 h LYS 156 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2ba1 h LYS 156 CO 0.45 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.75 2ba1 n GLY 157 N -0.48 -1.40 3.88 3.86 0.00 -1.26 -4.85 105.19 104.95 2ba1 n GLY 157 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.32 3.34 -0.18 1.61 -1.94 -1.00 -4.83 119.30 114.99 2ba1 s MET 158 Ca 0.00 0.51 0.01 0.00 -1.71 0.00 0.00 55.69 54.50 2ba1 s MET 158 Cb 0.00 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.74 2ba1 s MET 158 CO 0.00 -0.64 -0.14 0.42 -0.01 0.00 0.00 175.02 174.65 2ba1 s ILE 159 N -3.13 1.75 -0.06 2.53 1.01 -1.26 -0.94 121.20 121.11 2ba1 s ILE 159 Ca 0.54 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 60.35 2ba1 s ILE 159 Cb -0.11 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2ba1 s ILE 159 CO 0.51 0.34 -0.24 -0.89 0.00 0.00 0.00 174.94 174.66 2ba1 s THR 160 N 1.38 2.00 0.02 2.92 2.01 -0.90 -4.58 115.64 118.49 2ba1 s THR 160 Ca 0.02 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.03 2ba1 s THR 160 Cb -0.15 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 2ba1 s THR 160 CO -0.10 0.56 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.68 2ba1 s SER 161 N -0.15 1.89 0.04 3.53 0.15 -1.26 -0.60 113.70 117.30 2ba1 s SER 161 Ca -0.03 -0.39 -0.20 0.00 0.70 0.00 0.00 55.95 56.02 2ba1 s SER 161 Cb -0.14 -0.17 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2ba1 s SER 161 CO 0.04 0.12 0.46 -0.69 1.20 0.00 0.00 173.24 174.37 2ba1 s VAL 162 N -0.63 0.04 0.21 4.45 1.01 -0.66 -4.78 120.40 120.04 2ba1 s VAL 162 Ca 0.05 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.75 2ba1 s VAL 162 Cb -0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2ba1 s VAL 162 CO 0.01 -0.20 -0.06 0.00 0.00 0.00 0.00 175.10 174.84 2ba1 s ALA 163 N -2.45 3.03 -0.02 5.51 0.00 -1.26 -0.00 121.76 126.56 2ba1 s ALA 163 Ca -0.05 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.44 2ba1 s ALA 163 Cb -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2ba1 s ALA 163 CO -0.02 0.40 -0.23 0.08 0.00 0.00 0.00 175.76 175.98 2ba1 s VAL 164 N -1.93 1.86 0.52 0.00 1.01 0.79 -1.12 120.40 121.53 2ba1 s VAL 164 Ca 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2ba1 s VAL 164 Cb -0.08 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 2ba1 s VAL 164 CO 0.17 0.53 0.01 -0.83 0.00 0.00 0.00 175.10 174.98 2ba1 s GLY 165 N -0.48 3.10 -0.07 4.51 0.00 0.05 0.99 107.32 115.43 2ba1 s GLY 165 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 2ba1 s GLY 165 CO -0.00 -2.19 -0.03 1.25 0.00 0.00 0.00 173.10 172.13 2ba1 s LYS 166 N -3.89 0.87 -0.04 2.90 2.20 -0.48 -0.27 119.74 121.02 2ba1 s LYS 166 Ca 0.02 -0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 2ba1 s LYS 166 Cb 0.00 -1.03 0.02 0.00 -1.51 0.00 0.00 37.83 35.31 2ba1 s LYS 166 CO 0.01 -0.20 -0.06 0.00 -0.36 0.00 0.00 175.35 174.74 2ba1 s ALA 167 N 1.48 0.77 -1.14 3.13 0.00 0.75 -0.24 121.76 126.51 2ba1 s ALA 167 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 2ba1 s ALA 167 Cb -0.13 -0.41 0.10 0.00 0.00 0.00 0.00 23.12 22.68 2ba1 s ALA 167 CO -0.03 0.04 0.40 -0.25 0.00 0.00 0.00 175.76 175.91 2ba1 n ASP 168 N 3.87 -2.56 0.00 0.00 10.43 -1.26 0.18 116.55 127.20 2ba1 n ASP 168 Ca -0.24 -0.40 0.00 0.00 2.57 0.00 0.00 54.79 56.72 2ba1 n ASP 168 Cb 0.52 -2.19 0.00 0.00 1.84 0.00 0.00 41.12 41.29 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 -0.98 1.23 3.55 0.44 0.00 -1.26 -5.02 105.19 103.15 2ba1 n GLY 169 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2ba1 n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ba1 s GLN 170 N -0.50 2.90 0.04 1.61 -0.21 0.13 -5.09 119.66 118.53 2ba1 s GLN 170 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.51 2ba1 s GLN 170 Cb 0.00 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 2ba1 s GLN 170 CO 0.00 0.58 1.21 -0.51 -2.12 0.00 0.00 175.29 174.45 2ba1 s LEU 171 N -0.58 4.35 0.03 2.90 1.43 -1.26 -0.18 118.68 125.38 2ba1 s LEU 171 Ca 0.09 1.98 0.09 0.00 -1.03 0.00 0.00 54.13 55.26 2ba1 s LEU 171 Cb -0.12 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2ba1 s LEU 171 CO 0.02 -0.50 -0.25 0.68 0.23 0.00 0.00 176.35 176.53 2ba1 s VAL 172 N 1.33 2.03 0.20 -1.59 -7.23 0.62 -4.80 120.40 110.96 2ba1 s VAL 172 Ca 0.58 -1.30 -0.25 0.00 -1.81 0.00 0.00 61.98 59.21 2ba1 s VAL 172 Cb -0.29 -1.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.84 2ba1 s VAL 172 CO 0.28 0.37 0.80 -0.22 -0.31 0.00 0.00 175.10 176.02 2ba1 s LEU 173 N -1.12 4.53 -1.01 1.32 2.96 0.18 -0.77 118.68 124.78 2ba1 s LEU 173 Ca 0.11 1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 55.54 2ba1 s LEU 173 Cb -0.10 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 2ba1 s LEU 173 CO 0.01 0.14 0.75 -0.67 -1.32 0.00 0.00 176.35 175.27 2ba1 n ASP 174 N 1.30 -5.77 -4.65 3.68 4.64 -0.28 -4.68 116.55 110.79 2ba1 n ASP 174 Ca -0.04 -0.83 -0.38 0.00 -1.38 0.00 0.00 54.79 52.17 2ba1 n ASP 174 Cb 0.49 -3.52 0.05 0.00 -1.04 0.00 0.00 41.12 37.10 2ba1 n ASP 174 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2ba1 n PRO 175 N -3.45 1.04 -2.90 -0.67 -0.04 -1.26 -4.72 135.00 123.00 2ba1 n PRO 175 Ca -0.11 0.40 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 2ba1 n PRO 175 Cb 0.59 -2.27 0.05 0.00 -0.04 0.00 0.00 33.50 31.83 2ba1 n PRO 175 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ba1 s MET 176 N -2.86 2.40 0.23 0.54 0.23 -1.26 -4.60 119.30 113.99 2ba1 s MET 176 Ca 0.76 -1.31 -0.06 0.00 -1.03 0.00 0.00 55.69 54.05 2ba1 s MET 176 Cb -0.42 -2.61 0.41 0.00 -1.53 0.00 0.00 34.83 30.69 2ba1 s MET 176 CO 0.46 -0.75 1.72 -0.22 -2.03 0.00 0.00 175.02 174.20 2ba1 h LYS 177 N 0.19 0.37 -0.12 3.16 3.64 -1.93 -0.97 116.57 120.91 2ba1 h LYS 177 Ca -0.36 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 2ba1 h LYS 177 Cb 1.28 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2ba1 h LYS 177 CO 0.44 0.25 -0.45 0.93 -2.27 0.00 0.00 179.45 178.35 2ba1 h GLU 178 N 0.39 0.28 -0.20 1.90 3.07 -1.99 -2.60 114.58 115.42 2ba1 h GLU 178 Ca 0.38 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.93 2ba1 h GLU 178 Cb 0.58 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2ba1 h GLU 178 CO -0.41 0.67 -0.59 0.93 -1.40 0.00 0.00 179.01 178.22 2ba1 h GLU 179 N 0.23 0.64 -0.19 2.33 5.08 -1.67 -0.38 114.58 120.62 2ba1 h GLU 179 Ca 0.02 -0.43 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 2ba1 h GLU 179 Cb 0.88 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2ba1 h GLU 179 CO 0.07 1.05 -0.29 -0.44 -1.00 0.00 0.00 179.01 178.40 2ba1 h ASP 180 N 0.48 0.58 0.09 1.42 5.19 -1.18 0.16 116.42 123.17 2ba1 h ASP 180 Ca 0.00 -0.52 -0.18 0.00 -0.62 0.00 0.00 57.03 55.70 2ba1 h ASP 180 Cb 1.16 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.50 2ba1 h ASP 180 CO 0.12 0.99 -0.67 0.78 -3.12 0.00 0.00 179.24 177.33 2ba1 h ASN 181 N 0.19 0.63 -0.14 6.45 4.21 -1.50 -3.33 115.58 122.09 2ba1 h ASN 181 Ca 0.02 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 57.14 2ba1 h ASN 181 Cb 0.87 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 2ba1 h ASN 181 CO 0.07 1.13 0.00 0.49 -1.29 0.00 0.00 177.43 177.82 2ba1 n PHE 182 N -3.90 0.18 -1.05 1.19 3.01 -0.15 -5.02 117.46 111.71 2ba1 n PHE 182 Ca -0.04 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.20 2ba1 n PHE 182 Cb 0.68 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2ba1 n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ba1 n GLY 183 N 0.50 -0.54 0.01 1.37 0.00 0.57 -4.92 105.19 102.18 2ba1 n GLY 183 Ca 0.08 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.42 2ba1 n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ba1 n GLU 184 N -0.72 2.99 -3.60 1.61 4.71 0.66 -5.00 120.64 121.29 2ba1 n GLU 184 Ca 0.00 -0.02 -0.10 0.00 -0.01 0.00 0.00 57.16 57.03 2ba1 n GLU 184 Cb 0.00 -1.07 -0.06 0.00 -1.01 0.00 0.00 31.44 29.30 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 -2.12 -1.95 -0.06 0.62 0.00 -1.23 -1.35 121.76 115.66 2ba1 s ALA 185 Ca 0.05 1.68 0.01 0.00 0.00 0.00 0.00 51.96 53.70 2ba1 s ALA 185 Cb 0.09 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.27 2ba1 s ALA 185 CO 0.49 -0.28 -0.08 0.34 0.00 0.00 0.00 175.76 176.22 2ba1 s ASP 186 N -0.66 1.53 -0.34 0.00 3.68 -0.14 -1.38 116.67 119.35 2ba1 s ASP 186 Ca -0.00 -0.23 -0.01 0.00 2.13 0.00 0.00 52.55 54.44 2ba1 s ASP 186 Cb -0.02 -0.68 0.12 0.00 -1.45 0.00 0.00 42.92 40.89 2ba1 s ASP 186 CO -0.01 -0.03 0.18 -0.32 0.13 0.00 0.00 175.17 175.12 2ba1 s MET 187 N 0.94 0.56 0.21 4.34 1.75 0.28 -1.52 119.30 125.85 2ba1 s MET 187 Ca -0.10 -1.15 -0.30 0.00 -1.25 0.00 0.00 55.69 52.89 2ba1 s MET 187 Cb -0.15 -1.47 -0.08 0.00 2.84 0.00 0.00 34.83 35.97 2ba1 s MET 187 CO 0.01 -1.12 1.17 -1.25 -0.65 0.00 0.00 175.02 173.17 2ba1 s PRO 188 N 1.34 4.52 0.23 4.11 0.04 -1.10 -0.15 135.00 144.00 2ba1 s PRO 188 Ca 0.14 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.09 2ba1 s PRO 188 Cb -0.21 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2ba1 s PRO 188 CO -0.13 -0.02 -0.04 -0.06 0.04 0.00 0.00 177.00 176.79 2ba1 s PHE 189 N -0.32 1.65 -0.27 0.56 0.40 1.00 -2.62 117.98 118.38 2ba1 s PHE 189 Ca 0.51 -0.81 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 2ba1 s PHE 189 Cb -0.32 -0.93 0.08 0.00 0.51 0.00 0.00 43.02 42.36 2ba1 s PHE 189 CO 0.38 0.09 0.69 0.00 0.70 0.00 0.00 175.22 177.08 2ba1 s ALA 190 N -3.26 -1.81 0.29 5.36 0.00 -0.55 -1.65 121.76 120.13 2ba1 s ALA 190 Ca 0.27 2.26 0.07 0.00 0.00 0.00 0.00 51.96 54.56 2ba1 s ALA 190 Cb 0.04 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.78 2ba1 s ALA 190 CO 0.08 -0.36 -0.07 -0.06 0.00 0.00 0.00 175.76 175.36 2ba1 s PHE 191 N 1.22 2.02 -0.14 0.00 0.40 0.23 -0.27 117.98 121.44 2ba1 s PHE 191 Ca -0.07 -0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 55.49 2ba1 s PHE 191 Cb -0.05 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 2ba1 s PHE 191 CO -0.13 0.33 0.21 -1.17 0.70 0.00 0.00 175.22 175.17 2ba1 s LEU 192 N -3.47 4.31 -0.14 -0.37 2.96 -0.05 -2.13 118.68 119.80 2ba1 s LEU 192 Ca 0.30 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2ba1 s LEU 192 Cb 0.03 -2.23 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2ba1 s LEU 192 CO 0.13 0.25 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.59 2ba1 s ILE 193 N -0.23 2.37 -0.02 6.68 1.01 -0.11 -0.94 121.20 129.94 2ba1 s ILE 193 Ca 0.15 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2ba1 s ILE 193 Cb -0.13 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2ba1 s ILE 193 CO 0.04 0.53 -0.04 -0.13 0.00 0.00 0.00 174.94 175.34 2ba1 s ARG 194 N 0.76 0.51 -1.43 2.79 0.52 -0.60 -2.36 118.95 119.14 2ba1 s ARG 194 Ca -0.07 -0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.96 2ba1 s ARG 194 Cb -0.16 -0.55 0.02 0.00 0.52 0.00 0.00 34.95 34.78 2ba1 s ARG 194 CO 0.00 -0.01 1.02 -1.71 0.02 0.00 0.00 175.30 174.62 2ba1 n ASN 195 N 3.59 -6.14 -0.01 0.23 5.15 -1.26 -1.16 115.26 115.65 2ba1 n ASN 195 Ca -0.20 -0.50 -0.00 0.00 -0.60 0.00 0.00 54.58 53.27 2ba1 n ASN 195 Cb 0.54 -4.87 -0.00 0.00 -0.53 0.00 0.00 39.78 34.92 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 -1.85 0.16 3.32 8.20 0.00 -1.26 -4.98 105.19 108.78 2ba1 n GLY 196 Ca -0.02 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.42 1.29 -0.20 1.61 1.02 -0.31 -5.08 119.74 116.65 2ba1 s LYS 197 Ca 0.00 -1.19 -0.29 0.00 0.02 0.00 0.00 55.97 54.51 2ba1 s LYS 197 Cb 0.00 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2ba1 s LYS 197 CO 0.00 0.38 1.66 0.42 -0.92 0.00 0.00 175.35 176.89 2ba1 s ILE 198 N -1.06 3.63 -0.22 2.17 -1.09 -1.26 -1.56 121.20 121.81 2ba1 s ILE 198 Ca 0.09 0.72 -0.16 0.00 -2.23 0.00 0.00 60.65 59.07 2ba1 s ILE 198 Cb -0.10 -3.64 -0.12 0.00 -1.58 0.00 0.00 42.46 37.03 2ba1 s ILE 198 CO 0.04 -0.26 -0.16 -0.62 -1.23 0.00 0.00 174.94 172.72 2ba1 n GLU 199 N 7.68 0.55 -4.05 2.79 1.02 -0.12 -4.96 120.64 123.55 2ba1 n GLU 199 Ca 0.19 0.39 -0.11 0.00 -0.02 0.00 0.00 57.16 57.61 2ba1 n GLU 199 Cb 0.45 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 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 -6.75 0.25 -0.26 1.62 1.04 -1.23 -4.99 113.70 103.39 2ba1 s SER 200 Ca -0.30 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 54.78 2ba1 s SER 200 Cb 0.08 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 2ba1 s SER 200 CO 0.47 -1.16 0.51 -0.63 0.98 0.00 0.00 173.24 173.41 2ba1 s ILE 201 N -3.69 5.07 -0.13 -1.02 1.01 -1.26 -0.87 121.20 120.30 2ba1 s ILE 201 Ca 0.27 0.89 0.19 0.00 0.00 0.00 0.00 60.65 61.99 2ba1 s ILE 201 Cb 0.00 -3.83 -0.26 0.00 0.01 0.00 0.00 42.46 38.39 2ba1 s ILE 201 CO 0.13 0.09 0.34 0.00 0.00 0.00 0.00 174.94 175.50 2ba1 n ALA 202 N 5.48 1.96 -3.63 9.38 0.00 0.63 -4.90 120.51 129.43 2ba1 n ALA 202 Ca -0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.34 2ba1 n ALA 202 Cb 0.50 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -5.27 0.30 -0.08 0.00 0.20 -0.75 -4.27 118.68 108.81 2ba1 s LEU 203 Ca -0.08 0.67 -0.04 0.00 0.69 0.00 0.00 54.13 55.37 2ba1 s LEU 203 Cb 0.09 1.00 0.04 0.00 -0.43 0.00 0.00 46.19 46.89 2ba1 s LEU 203 CO 0.85 -0.17 0.19 -0.22 -0.29 0.00 0.00 176.35 176.71 2ba1 s LEU 204 N 1.14 0.47 -0.01 -0.68 0.20 -1.26 -1.48 118.68 117.06 2ba1 s LEU 204 Ca -0.08 0.39 -0.20 0.00 0.69 0.00 0.00 54.13 54.93 2ba1 s LEU 204 Cb -0.08 0.49 0.04 0.00 -0.43 0.00 0.00 46.19 46.21 2ba1 s LEU 204 CO -0.09 -0.17 0.44 -1.10 -0.29 0.00 0.00 176.35 175.14 2ba1 s GLN 205 N 1.40 0.84 -0.09 1.98 -0.21 -1.08 -5.06 119.66 117.45 2ba1 s GLN 205 Ca -0.07 -0.11 -0.26 0.00 0.02 0.00 0.00 55.36 54.93 2ba1 s GLN 205 Cb -0.11 0.38 0.06 0.00 1.00 0.00 0.00 33.01 34.34 2ba1 s GLN 205 CO -0.07 -0.26 0.60 0.00 -2.12 0.00 0.00 175.29 173.45 2ba1 s MET 206 N -1.59 0.91 -0.01 2.91 0.23 -1.26 -2.73 119.30 117.77 2ba1 s MET 206 Ca -0.11 0.33 -0.01 0.00 -1.03 0.00 0.00 55.69 54.87 2ba1 s MET 206 Cb -0.03 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.71 2ba1 s MET 206 CO 0.04 -0.25 0.03 -0.51 -2.03 0.00 0.00 175.02 172.31 2ba1 s ASP 207 N -0.85 -0.03 0.00 -1.18 1.01 -0.57 -5.02 116.67 110.03 2ba1 s ASP 207 Ca -0.09 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.22 2ba1 s ASP 207 Cb -0.02 0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.98 2ba1 s ASP 207 CO 0.07 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2ba1 n GLY 208 N 3.03 0.49 2.71 0.21 0.00 -1.26 -0.97 105.19 109.41 2ba1 n GLY 208 Ca -0.12 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.20 0.14 0.09 1.61 3.52 -0.46 -4.98 118.95 117.66 2ba1 s ARG 209 Ca 0.00 0.14 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 2ba1 s ARG 209 Cb 0.00 -1.35 -0.03 0.00 -1.56 0.00 0.00 34.95 32.01 2ba1 s ARG 209 CO 0.00 -0.64 -0.13 -1.64 -0.81 0.00 0.00 175.30 172.08 2ba1 s MET 210 N 2.26 0.86 0.39 5.12 -1.94 -1.26 -4.76 119.30 119.97 2ba1 s MET 210 Ca 0.05 -1.05 -0.11 0.00 -1.71 0.00 0.00 55.69 52.87 2ba1 s MET 210 Cb -0.16 -0.77 -0.07 0.00 2.01 0.00 0.00 34.83 35.85 2ba1 s MET 210 CO -0.11 0.16 0.76 0.95 -0.01 0.00 0.00 175.02 176.77 2ba1 s THR 211 N -1.70 4.77 0.30 2.05 -4.23 -1.26 -4.91 115.64 110.67 2ba1 s THR 211 Ca 0.02 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.24 2ba1 s THR 211 Cb -0.07 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.34 2ba1 s THR 211 CO 0.02 -0.46 1.73 -0.09 -0.54 0.00 0.00 174.62 175.28 2ba1 h ARG 212 N 1.42 0.54 -0.36 3.99 1.12 -2.01 0.23 114.38 119.32 2ba1 h ARG 212 Ca -0.47 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.29 2ba1 h ARG 212 Cb 1.19 -0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.01 2ba1 h ARG 212 CO 0.64 0.36 -0.08 -0.44 -3.11 0.00 0.00 179.97 177.34 2ba1 h ASP 213 N 0.56 0.59 0.78 -3.80 5.19 -2.01 -2.51 116.42 115.22 2ba1 h ASP 213 Ca 0.58 -0.15 -0.10 0.00 -0.62 0.00 0.00 57.03 56.74 2ba1 h ASP 213 Cb 1.04 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2ba1 h ASP 213 CO -0.46 0.71 -0.48 -0.33 -3.12 0.00 0.00 179.24 175.55 2ba1 h GLU 214 N 0.57 0.00 -0.36 3.56 5.08 -0.96 -2.30 114.58 120.17 2ba1 h GLU 214 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 2ba1 h GLU 214 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ba1 h GLU 214 CO 0.03 0.48 -0.12 0.28 -1.00 0.00 0.00 179.01 178.68 2ba1 h VAL 215 N 0.00 1.28 -0.23 3.13 2.07 -0.76 0.13 116.25 121.87 2ba1 h VAL 215 Ca -0.00 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.18 2ba1 h VAL 215 Cb 1.01 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2ba1 h VAL 215 CO 0.06 0.40 -0.38 0.11 0.02 0.00 0.00 177.57 177.78 2ba1 h LYS 216 N 0.51 0.53 -0.05 1.57 1.57 -1.42 -2.25 116.57 117.02 2ba1 h LYS 216 Ca 0.09 -0.25 -0.16 0.00 -1.87 0.00 0.00 60.65 58.45 2ba1 h LYS 216 Cb 0.64 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2ba1 h LYS 216 CO 0.04 0.82 -0.68 1.96 -0.57 0.00 0.00 179.45 181.03 2ba1 h GLN 217 N 0.44 0.22 -0.74 3.15 4.20 -1.29 -3.04 115.11 118.05 2ba1 h GLN 217 Ca 0.04 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 2ba1 h GLN 217 Cb 0.86 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 2ba1 h GLN 217 CO 0.07 0.81 0.24 0.00 -0.67 0.00 0.00 178.83 179.29 2ba1 h ALA 218 N 1.14 1.04 -0.56 3.87 0.00 -0.38 -1.15 119.26 123.23 2ba1 h ALA 218 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ba1 h ALA 218 Cb 1.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2ba1 h ALA 218 CO 0.10 0.65 0.37 0.82 0.00 0.00 0.00 179.25 181.20 2ba1 h ILE 219 N 1.09 1.13 -0.16 0.00 1.08 -1.31 -1.65 117.51 117.69 2ba1 h ILE 219 Ca 0.24 -0.25 -0.16 0.00 -0.39 0.00 0.00 64.86 64.30 2ba1 h ILE 219 Cb 0.28 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 2ba1 h ILE 219 CO -0.01 0.13 -0.58 -0.33 -0.69 0.00 0.00 178.15 176.67 2ba1 h GLU 220 N 0.73 0.50 -0.16 2.37 4.39 -1.14 -2.32 114.58 118.95 2ba1 h GLU 220 Ca 0.21 -0.33 -0.22 0.00 0.34 0.00 0.00 59.36 59.36 2ba1 h GLU 220 Cb -0.05 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2ba1 h GLU 220 CO -0.05 0.94 -0.76 1.25 -1.16 0.00 0.00 179.01 179.23 2ba1 h LEU 221 N 0.38 0.91 -0.76 1.33 6.46 -0.75 -2.87 115.31 120.00 2ba1 h LEU 221 Ca 0.00 -0.59 -0.07 0.00 -0.12 0.00 0.00 57.88 57.10 2ba1 h LEU 221 Cb 1.12 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 2ba1 h LEU 221 CO 0.11 1.38 0.16 0.00 -0.62 0.00 0.00 178.44 179.47 2ba1 h ALA 222 N 0.60 0.98 -0.61 1.25 0.00 -1.34 -1.59 119.26 118.56 2ba1 h ALA 222 Ca -0.05 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2ba1 h ALA 222 Cb 1.38 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2ba1 h ALA 222 CO 0.15 0.66 0.21 0.87 0.00 0.00 0.00 179.25 181.15 2ba1 h LYS 223 N 1.04 0.94 -0.56 0.00 1.57 -1.40 0.60 116.57 118.76 2ba1 h LYS 223 Ca 0.22 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ba1 h LYS 223 Cb 0.37 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2ba1 h LYS 223 CO 0.00 0.82 0.21 -0.22 -0.57 0.00 0.00 179.45 179.69 2ba1 h LYS 224 N 0.87 0.82 -0.03 3.15 3.64 -1.24 -1.52 116.57 122.25 2ba1 h LYS 224 Ca 0.20 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2ba1 h LYS 224 Cb 0.25 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2ba1 h LYS 224 CO -0.01 0.68 -0.14 0.78 -2.27 0.00 0.00 179.45 178.49 2ba1 h GLY 225 N 0.94 0.16 0.58 5.01 0.00 -0.63 -3.09 103.07 106.04 2ba1 h GLY 225 Ca 0.19 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.36 2ba1 h GLY 225 CO -0.02 0.20 0.26 0.00 0.00 0.00 0.00 176.54 176.99 2ba1 h ALA 226 N 0.38 0.74 -0.98 3.60 0.00 0.38 -0.46 119.26 122.93 2ba1 h ALA 226 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2ba1 h ALA 226 Cb 0.80 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 2ba1 h ALA 226 CO 0.03 -0.11 0.63 -0.07 0.00 0.00 0.00 179.25 179.73 2ba1 h LEU 227 N 0.49 0.99 -0.46 0.00 3.38 -1.34 0.74 115.31 119.11 2ba1 h LEU 227 Ca 0.27 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2ba1 h LEU 227 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2ba1 h LEU 227 CO -0.22 0.63 0.21 1.56 0.09 0.00 0.00 178.44 180.71 2ba1 h GLN 228 N 1.12 0.67 -0.50 1.13 4.20 -1.11 -2.19 115.11 118.43 2ba1 h GLN 228 Ca 0.42 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 2ba1 h GLN 228 Cb 0.20 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2ba1 h GLN 228 CO -0.17 0.58 -0.01 0.82 -0.67 0.00 0.00 178.83 179.38 2ba1 h ILE 229 N 0.60 1.26 -0.76 2.54 2.04 0.39 -2.86 117.51 120.73 2ba1 h ILE 229 Ca 0.16 -1.10 0.12 0.00 1.00 0.00 0.00 64.86 65.04 2ba1 h ILE 229 Cb 0.14 0.97 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 2ba1 h ILE 229 CO -0.02 0.39 0.35 0.22 0.00 0.00 0.00 178.15 179.09 2ba1 h TYR 230 N 0.76 0.62 -0.97 1.37 3.20 0.69 0.25 116.97 122.90 2ba1 h TYR 230 Ca 0.14 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2ba1 h TYR 230 Cb 0.54 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 2ba1 h TYR 230 CO 0.04 0.15 0.63 0.93 -1.64 0.00 0.00 178.16 178.27 2ba1 h GLU 231 N 0.55 1.14 -0.37 1.82 4.39 -1.18 0.05 114.58 120.98 2ba1 h GLU 231 Ca 0.40 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.93 2ba1 h GLU 231 Cb 0.54 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2ba1 h GLU 231 CO -0.34 0.75 -0.18 0.52 -1.16 0.00 0.00 179.01 178.59 2ba1 h MET 232 N 1.17 0.69 0.22 2.33 2.86 -0.88 -1.66 114.93 119.67 2ba1 h MET 232 Ca 0.40 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2ba1 h MET 232 Cb 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2ba1 h MET 232 CO -0.15 0.83 -0.10 1.96 1.06 0.00 0.00 176.91 180.51 2ba1 h GLN 233 N 0.62 -0.28 -0.99 1.72 4.20 0.07 -1.83 115.11 118.61 2ba1 h GLN 233 Ca 0.10 0.02 0.18 0.00 0.06 0.00 0.00 58.65 59.00 2ba1 h GLN 233 Cb 0.66 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.40 2ba1 h GLN 233 CO 0.05 -0.04 0.60 -0.09 -0.67 0.00 0.00 178.83 178.67 2ba1 h ARG 234 N -0.49 0.76 -0.39 1.46 2.43 -0.96 -1.10 114.38 116.10 2ba1 h ARG 234 Ca -0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2ba1 h ARG 234 Cb 0.37 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2ba1 h ARG 234 CO 0.05 0.50 0.12 0.93 -1.51 0.00 0.00 179.97 180.06 2ba1 h GLU 235 N 0.78 0.61 -0.65 0.20 5.08 -1.04 0.15 114.58 119.71 2ba1 h GLU 235 Ca 0.56 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.76 2ba1 h GLU 235 Cb 0.84 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 2ba1 h GLU 235 CO -0.37 0.61 0.30 0.00 -1.00 0.00 0.00 179.01 178.55 2ba1 h ALA 236 N 0.96 1.31 -0.01 3.43 0.00 -0.37 -1.18 119.26 123.41 2ba1 h ALA 236 Ca 0.13 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2ba1 h ALA 236 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ba1 h ALA 236 CO -0.00 0.53 -0.83 0.82 0.00 0.00 0.00 179.25 179.77 2ba1 h ILE 237 N 0.92 1.48 -0.26 0.00 1.08 -1.11 -2.71 117.51 116.92 2ba1 h ILE 237 Ca 0.22 -2.53 0.01 0.00 -0.39 0.00 0.00 64.86 62.17 2ba1 h ILE 237 Cb 0.11 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.24 2ba1 h ILE 237 CO -0.03 0.74 0.16 0.25 -0.69 0.00 0.00 178.15 178.58 2ba1 h LEU 238 N 0.11 0.27 -0.90 1.44 6.46 0.09 -0.58 115.31 122.20 2ba1 h LEU 238 Ca -0.04 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2ba1 h LEU 238 Cb 1.44 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.26 2ba1 h LEU 238 CO 0.12 0.19 0.56 0.03 -0.62 0.00 0.00 178.44 178.73 2ba1 h ARG 239 N 0.33 1.21 -0.43 1.25 3.08 -1.23 -0.82 114.38 117.78 2ba1 h ARG 239 Ca 0.10 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2ba1 h ARG 239 Cb -0.02 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 2ba1 h ARG 239 CO -0.03 0.83 0.15 -0.09 -1.07 0.00 0.00 179.97 179.76 2ba1 h ARG 240 N 1.23 0.61 -0.23 0.04 9.65 -1.09 0.90 114.38 125.49 2ba1 h ARG 240 Ca 0.33 -0.09 -0.14 0.00 -1.10 0.00 0.00 59.98 58.98 2ba1 h ARG 240 Cb -0.08 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 2ba1 h ARG 240 CO -0.06 0.52 -0.43 -0.92 2.80 0.00 0.00 179.97 181.87 2ba1 h TYR 241 N 0.61 0.68 0.00 2.20 3.20 -0.25 -1.96 116.97 121.45 2ba1 h TYR 241 Ca 0.15 -0.21 -0.15 0.00 3.14 0.00 0.00 58.73 61.66 2ba1 h TYR 241 Cb 0.15 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2ba1 h TYR 241 CO 0.01 0.90 -0.70 0.82 -1.64 0.00 0.00 178.16 177.55 2ba1 h ILE 242 N 0.46 1.38 0.16 1.81 2.04 0.09 -2.46 117.51 120.98 2ba1 h ILE 242 Ca 0.03 -2.49 -0.29 0.00 1.00 0.00 0.00 64.86 63.12 2ba1 h ILE 242 Cb 0.94 2.39 0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2ba1 h ILE 242 CO 0.08 0.68 -1.31 -0.33 0.00 0.00 0.00 178.15 177.28 2ba1 h GLU 243 N 0.00 0.34 0.00 2.37 5.08 -0.73 -2.16 114.58 119.47 2ba1 h GLU 243 Ca -0.01 -0.57 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 2ba1 h GLU 243 Cb 1.33 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2ba1 h GLU 243 CO 0.09 1.27 -0.28 -0.39 -1.00 0.00 0.00 179.01 178.70 2ba1 h VAL 244 N 0.09 0.54 0.03 3.13 -1.51 -1.42 -2.38 116.25 114.72 2ba1 h VAL 244 Ca -0.17 -1.50 -0.00 0.00 -1.23 0.00 0.00 66.70 63.80 2ba1 h VAL 244 Cb 2.02 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 33.25 2ba1 h VAL 244 CO 0.22 0.27 -0.01 1.23 -1.23 0.00 0.00 177.57 178.05 2ba1 h GLY 245 N 3.03 -0.04 0.47 5.19 0.00 -1.43 -1.75 103.07 108.54 2ba1 h GLY 245 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ba1 h GLY 245 CO 0.04 -0.01 0.00 -1.84 0.00 0.00 0.00 176.54 174.72 2ba1 n GLU 246 N -4.80 0.75 -0.12 4.80 0.28 -0.81 -2.21 120.64 118.53 2ba1 n GLU 246 Ca -0.09 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.66 2ba1 n GLU 246 Cb 0.31 -1.23 -0.11 0.00 1.43 0.00 0.00 31.44 31.84 2ba1 n GLU 246 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ba1 n GLU 247 N -0.73 0.61 0.25 3.44 0.00 -0.90 -3.09 120.64 120.21 2ba1 n GLU 247 Ca 0.08 0.32 0.07 0.00 0.00 0.00 0.00 57.16 57.63 2ba1 n GLU 247 Cb 0.04 -1.58 0.59 0.00 0.00 0.00 0.00 31.44 30.50 2ba1 n GLU 247 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 2ba1 h MET 248 N -0.75 0.01 0.00 5.31 2.86 -0.94 0.26 114.93 121.68 2ba1 h MET 248 Ca -0.58 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.06 2ba1 h MET 248 Cb 1.63 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2ba1 h MET 248 CO -0.28 0.06 -0.28 -0.25 1.06 0.00 0.00 176.91 177.22 2ba1 n ASP 249 N -4.47 0.60 0.00 1.22 9.92 -0.94 -3.40 116.55 119.49 2ba1 n ASP 249 Ca -0.03 0.30 -0.10 0.00 -0.53 0.00 0.00 54.79 54.44 2ba1 n ASP 249 Cb 0.14 -0.29 -0.08 0.00 -0.64 0.00 0.00 41.12 40.25 2ba1 n ASP 249 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ba1 h GLU 250 N 0.00 -0.11 -0.75 -1.24 4.57 -0.43 -1.44 114.58 115.17 2ba1 h GLU 250 Ca 0.00 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 2ba1 h GLU 250 Cb 0.67 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.24 2ba1 h GLU 250 CO 0.00 0.39 0.49 0.97 -1.18 0.00 0.00 179.01 179.68 2ba1 h ILE 251 N -0.91 0.91 -0.00 2.32 2.10 -1.51 0.68 117.51 121.10 2ba1 h ILE 251 Ca -0.01 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2ba1 h ILE 251 Cb 0.55 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.52 2ba1 h ILE 251 CO 0.02 0.11 -0.07 0.41 -1.08 0.00 0.00 178.15 177.55 2ba1 n THR 252 N -4.50 0.00 1.42 2.19 -1.04 -1.22 -5.15 114.28 105.99 2ba1 n THR 252 Ca 0.13 -0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.27 2ba1 n THR 252 Cb 0.37 -0.40 0.46 0.00 -1.82 0.00 0.00 70.33 68.94 2ba1 n THR 252 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64