#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ba1 h PRO 2 N 0.00 0.00 0.05 0.03 0.13 -2.09 -3.15 132.00 126.97 2ba1 h PRO 2 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2ba1 h PRO 2 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ba1 h PRO 2 CO 0.00 0.00 -1.04 1.49 -0.23 0.00 0.00 178.00 178.22 2ba1 h GLU 3 N 0.00 0.27 -1.11 0.86 4.57 -2.06 -3.32 114.58 113.80 2ba1 h GLU 3 Ca 0.00 -0.36 0.32 0.00 -1.18 0.00 0.00 59.36 58.14 2ba1 h GLU 3 Cb 0.91 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 2ba1 h GLU 3 CO 0.00 1.10 0.80 -0.44 -1.18 0.00 0.00 179.01 179.29 2ba1 h ASP 4 N 0.12 0.01 -0.22 1.04 5.19 -1.98 -2.26 116.42 118.31 2ba1 h ASP 4 Ca -0.09 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2ba1 h ASP 4 Cb 1.72 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.22 2ba1 h ASP 4 CO 0.17 0.00 0.13 0.40 -3.12 0.00 0.00 179.24 176.82 2ba1 h ILE 5 N 0.01 1.09 -0.48 0.35 5.03 -1.74 0.15 117.51 121.90 2ba1 h ILE 5 Ca 0.53 -0.21 -0.11 0.00 -0.12 0.00 0.00 64.86 64.94 2ba1 h ILE 5 Cb 2.11 0.83 -0.02 0.00 -3.03 0.00 0.00 36.82 36.71 2ba1 h ILE 5 CO -0.01 0.08 -0.14 -0.07 -0.68 0.00 0.00 178.15 177.33 2ba1 h LEU 6 N 0.27 0.92 -0.20 1.44 3.38 -1.67 -3.00 115.31 116.45 2ba1 h LEU 6 Ca 0.08 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2ba1 h LEU 6 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ba1 h LEU 6 CO -0.01 1.06 0.05 0.58 0.09 0.00 0.00 178.44 180.20 2ba1 h VAL 7 N 0.81 1.21 -0.71 1.22 2.07 -1.40 -2.20 116.25 117.25 2ba1 h VAL 7 Ca 0.12 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.05 2ba1 h VAL 7 Cb 0.68 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2ba1 h VAL 7 CO 0.05 0.21 0.47 0.44 0.02 0.00 0.00 177.57 178.75 2ba1 h ASP 8 N 0.14 0.61 0.49 0.57 3.45 -0.68 0.46 116.42 121.47 2ba1 h ASP 8 Ca 0.06 0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.36 2ba1 h ASP 8 Cb 0.27 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 2ba1 h ASP 8 CO 0.00 0.39 -0.74 0.40 -1.57 0.00 0.00 179.24 177.72 2ba1 h ILE 9 N 0.69 1.45 -0.06 0.35 5.03 -1.41 -2.28 117.51 121.28 2ba1 h ILE 9 Ca 0.31 -2.31 -0.11 0.00 -0.12 0.00 0.00 64.86 62.63 2ba1 h ILE 9 Cb 0.32 2.24 -0.01 0.00 -3.03 0.00 0.00 36.82 36.34 2ba1 h ILE 9 CO -0.10 0.68 -0.47 0.50 -0.68 0.00 0.00 178.15 178.07 2ba1 h LYS 10 N 0.13 0.15 -0.48 2.37 1.63 -0.27 -2.66 116.57 117.44 2ba1 h LYS 10 Ca -0.02 -0.08 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 2ba1 h LYS 10 Cb 1.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.92 2ba1 h LYS 10 CO 0.11 0.59 -0.12 -0.09 -3.45 0.00 0.00 179.45 176.50 2ba1 h ARG 11 N 0.12 0.93 -0.53 1.90 2.43 0.11 -2.02 114.38 117.32 2ba1 h ARG 11 Ca 0.01 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 2ba1 h ARG 11 Cb 0.88 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 2ba1 h ARG 11 CO 0.07 1.02 0.26 -0.44 -1.51 0.00 0.00 179.97 179.36 2ba1 h ASP 12 N 0.78 0.67 0.03 -3.80 3.45 -1.15 -1.83 116.42 114.57 2ba1 h ASP 12 Ca 0.12 -0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 2ba1 h ASP 12 Cb 0.67 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2ba1 h ASP 12 CO 0.05 0.57 -0.01 0.22 -1.57 0.00 0.00 179.24 178.49 2ba1 h TYR 13 N 0.75 -0.03 -0.17 4.55 3.20 -1.20 0.20 116.97 124.26 2ba1 h TYR 13 Ca 0.19 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2ba1 h TYR 13 Cb 0.08 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2ba1 h TYR 13 CO 0.01 0.40 0.11 0.28 -1.64 0.00 0.00 178.16 177.32 2ba1 h VAL 14 N -0.48 1.02 0.17 1.81 2.07 -1.22 -1.09 116.25 118.54 2ba1 h VAL 14 Ca -0.00 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.15 2ba1 h VAL 14 Cb 0.45 0.81 0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2ba1 h VAL 14 CO 0.01 0.03 -1.33 -0.07 0.02 0.00 0.00 177.57 176.24 2ba1 h LEU 15 N 0.19 0.60 -1.43 2.57 3.38 -1.22 -1.82 115.31 117.58 2ba1 h LEU 15 Ca 0.06 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 57.43 2ba1 h LEU 15 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2ba1 h LEU 15 CO -0.01 1.49 0.41 -1.28 0.09 0.00 0.00 178.44 179.14 2ba1 h SER 16 N 0.11 0.64 0.66 -0.43 0.87 0.38 -1.42 113.55 114.36 2ba1 h SER 16 Ca -0.18 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.10 2ba1 h SER 16 Cb 2.04 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.85 2ba1 h SER 16 CO 0.23 0.45 -1.24 0.11 -0.53 0.00 0.00 176.83 175.85 2ba1 h LYS 17 N 0.75 0.24 -0.30 2.24 1.79 -1.25 -3.28 116.57 116.76 2ba1 h LYS 17 Ca 0.25 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 2ba1 h LYS 17 Cb 0.07 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2ba1 h LYS 17 CO -0.07 1.19 0.07 1.25 -1.08 0.00 0.00 179.45 180.81 2ba1 h LEU 18 N 0.07 0.40 -1.39 2.94 6.46 -0.46 -0.40 115.31 122.91 2ba1 h LEU 18 Ca -0.13 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.52 2ba1 h LEU 18 Cb 1.95 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.77 2ba1 h LEU 18 CO 0.19 0.41 -0.29 0.03 -0.62 0.00 0.00 178.44 178.17 2ba1 h ARG 19 N 0.43 0.00 -0.75 1.25 3.08 -1.35 -2.00 114.38 115.05 2ba1 h ARG 19 Ca 0.10 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.93 2ba1 h ARG 19 Cb 0.18 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.09 2ba1 h ARG 19 CO -0.00 0.29 0.28 -3.47 -1.07 0.00 0.00 179.97 176.00 2ba1 n ASP 20 N -3.84 4.79 -3.74 7.04 2.03 -0.31 -4.95 116.55 117.57 2ba1 n ASP 20 Ca -0.01 -3.25 -0.24 0.00 0.52 0.00 0.00 54.79 51.80 2ba1 n ASP 20 Cb 0.37 -0.75 0.04 0.00 -0.72 0.00 0.00 41.12 40.06 2ba1 n ASP 20 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ba1 n ASN 21 N -0.21 -3.07 -4.02 1.67 5.15 -0.75 -5.00 115.26 109.03 2ba1 n ASN 21 Ca 0.42 -0.76 -0.09 0.00 -0.60 0.00 0.00 54.58 53.55 2ba1 n ASN 21 Cb 1.40 -4.19 -0.08 0.00 -0.53 0.00 0.00 39.78 36.38 2ba1 n ASN 21 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ba1 s GLU 22 N -6.19 0.95 0.32 1.20 2.02 -0.34 -5.00 118.70 111.65 2ba1 s GLU 22 Ca 0.30 -1.23 0.08 0.00 0.02 0.00 0.00 54.97 54.14 2ba1 s GLU 22 Cb -0.14 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 2ba1 s GLU 22 CO 0.80 -0.30 0.12 1.03 0.02 0.00 0.00 175.26 176.94 2ba1 s ARG 23 N -3.97 2.42 0.18 1.61 0.52 -1.26 -3.34 118.95 115.11 2ba1 s ARG 23 Ca 0.16 -1.46 -0.16 0.00 -0.52 0.00 0.00 55.73 53.75 2ba1 s ARG 23 Cb 0.06 -2.22 0.13 0.00 0.52 0.00 0.00 34.95 33.44 2ba1 s ARG 23 CO -0.03 0.19 1.67 0.82 0.02 0.00 0.00 175.30 177.97 2ba1 h ILE 24 N 1.60 0.59 -0.06 1.52 2.04 -1.94 -2.97 117.51 118.29 2ba1 h ILE 24 Ca -0.44 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2ba1 h ILE 24 Cb 1.25 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2ba1 h ILE 24 CO 0.62 0.01 0.00 -0.90 0.00 0.00 0.00 178.15 177.88 2ba1 n ASP 25 N -5.29 2.17 0.00 1.72 5.68 -1.26 -4.96 116.55 114.61 2ba1 n ASP 25 Ca 0.04 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2ba1 n ASP 25 Cb 0.24 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2ba1 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ba1 n GLY 26 N 1.25 0.74 3.70 6.12 0.00 -1.12 -5.07 105.19 110.81 2ba1 n GLY 26 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2ba1 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ba1 s ARG 27 N -0.65 0.68 0.46 1.61 0.52 -1.26 -4.91 118.95 115.40 2ba1 s ARG 27 Ca 0.00 0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 55.74 2ba1 s ARG 27 Cb 0.00 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.70 2ba1 s ARG 27 CO 0.00 -2.57 0.70 0.20 0.02 0.00 0.00 175.30 173.66 2ba1 s GLY 28 N -3.53 1.55 0.00 -3.53 0.00 -1.26 -4.42 107.32 96.13 2ba1 s GLY 28 Ca 0.65 -0.95 0.12 0.00 0.00 0.00 0.00 44.72 44.55 2ba1 s GLY 28 CO 0.57 -0.77 1.25 0.69 0.00 0.00 0.00 173.10 174.84 2ba1 n PHE 29 N -2.14 0.00 -1.11 1.90 3.01 -1.26 -2.12 117.46 115.74 2ba1 n PHE 29 Ca 0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.51 2ba1 n PHE 29 Cb 0.57 -0.15 0.05 0.00 -0.01 0.00 0.00 39.48 39.94 2ba1 n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ba1 n ASP 30 N -1.15 1.21 -4.62 4.37 5.75 -1.26 -1.45 116.55 119.39 2ba1 n ASP 30 Ca 0.08 -2.21 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 2ba1 n ASP 30 Cb 0.07 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 39.86 2ba1 n ASP 30 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2ba1 s GLU 31 N -1.19 4.01 0.69 0.11 2.12 -0.90 -4.90 118.70 118.64 2ba1 s GLU 31 Ca 0.11 -0.24 -0.11 0.00 0.36 0.00 0.00 54.97 55.09 2ba1 s GLU 31 Cb 0.10 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2ba1 s GLU 31 CO 0.01 -0.09 1.07 -0.06 -0.54 0.00 0.00 175.26 175.65 2ba1 s PHE 32 N 1.50 3.29 0.82 5.30 0.40 -1.26 -4.73 117.98 123.29 2ba1 s PHE 32 Ca 0.09 1.21 -0.11 0.00 -0.60 0.00 0.00 56.93 57.52 2ba1 s PHE 32 Cb -0.15 -2.94 0.12 0.00 0.51 0.00 0.00 43.02 40.56 2ba1 s PHE 32 CO 0.08 -1.14 1.16 1.03 0.70 0.00 0.00 175.22 177.05 2ba1 s ARG 33 N -5.21 1.56 0.23 0.44 3.00 -1.26 -4.96 118.95 112.74 2ba1 s ARG 33 Ca 0.58 -0.30 -0.32 0.00 0.00 0.00 0.00 55.73 55.69 2ba1 s ARG 33 Cb -0.12 -2.02 -0.13 0.00 0.00 0.00 0.00 34.95 32.68 2ba1 s ARG 33 CO 0.53 -1.75 1.47 1.17 0.00 0.00 0.00 175.30 176.72 2ba1 n LYS 34 N -3.30 2.15 -4.43 3.54 4.81 -1.26 -4.60 118.16 115.07 2ba1 n LYS 34 Ca 0.11 0.77 -0.34 0.00 -0.87 0.00 0.00 58.31 57.98 2ba1 n LYS 34 Cb 0.60 -2.46 -0.12 0.00 0.02 0.00 0.00 35.03 33.08 2ba1 n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ba1 s VAL 35 N 0.14 3.93 -0.11 3.15 1.01 -1.26 -1.56 120.40 125.70 2ba1 s VAL 35 Ca 0.70 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2ba1 s VAL 35 Cb -0.63 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2ba1 s VAL 35 CO 0.47 0.53 -0.03 -0.70 0.00 0.00 0.00 175.10 175.37 2ba1 s GLU 36 N -0.02 1.08 -0.22 2.72 2.12 0.81 -4.96 118.70 120.23 2ba1 s GLU 36 Ca 0.01 -0.18 -0.07 0.00 0.36 0.00 0.00 54.97 55.10 2ba1 s GLU 36 Cb -0.13 -1.48 -0.03 0.00 0.26 0.00 0.00 34.13 32.75 2ba1 s GLU 36 CO 0.03 -0.35 0.04 0.42 -0.54 0.00 0.00 175.26 174.86 2ba1 s ILE 37 N 1.81 4.25 -0.28 -3.70 1.01 -1.26 -0.35 121.20 122.68 2ba1 s ILE 37 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ba1 s ILE 37 Cb -0.13 -2.95 0.08 0.00 0.01 0.00 0.00 42.46 39.46 2ba1 s ILE 37 CO -0.07 0.39 -0.01 -0.63 0.00 0.00 0.00 174.94 174.62 2ba1 s ILE 38 N 1.22 1.73 0.67 2.92 -1.09 0.14 -4.97 121.20 121.82 2ba1 s ILE 38 Ca 0.04 -1.61 -0.04 0.00 -2.23 0.00 0.00 60.65 56.81 2ba1 s ILE 38 Cb -0.14 -2.09 0.06 0.00 -1.58 0.00 0.00 42.46 38.71 2ba1 s ILE 38 CO 0.03 -0.31 0.96 -2.16 -1.23 0.00 0.00 174.94 172.22 2ba1 s PRO 39 N 1.25 2.20 -1.43 2.79 0.04 -1.26 0.55 135.00 139.14 2ba1 s PRO 39 Ca 0.01 -0.47 -0.08 0.00 0.04 0.00 0.00 61.00 60.49 2ba1 s PRO 39 Cb -0.19 -2.26 0.05 0.00 0.04 0.00 0.00 34.50 32.14 2ba1 s PRO 39 CO -0.09 -1.14 0.90 0.09 0.04 0.00 0.00 177.00 176.79 2ba1 n ASN 40 N -2.78 -3.54 0.03 6.66 4.13 -0.80 -4.88 115.26 114.08 2ba1 n ASN 40 Ca 0.09 -0.77 0.12 0.00 1.68 0.00 0.00 54.58 55.69 2ba1 n ASN 40 Cb 0.60 -4.05 0.15 0.00 -1.54 0.00 0.00 39.78 34.94 2ba1 n ASN 40 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2ba1 n VAL 41 N -4.55 0.16 -3.70 2.41 0.31 -1.26 -4.53 118.33 107.17 2ba1 n VAL 41 Ca -0.09 -0.15 -0.29 0.00 -0.01 0.00 0.00 64.34 63.79 2ba1 n VAL 41 Cb 0.59 0.15 -0.13 0.00 -0.91 0.00 0.00 33.84 33.53 2ba1 n VAL 41 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ba1 s ILE 42 N -3.11 1.37 0.19 2.52 -1.09 -1.26 -5.02 121.20 114.80 2ba1 s ILE 42 Ca 0.07 -2.59 -0.14 0.00 -2.23 0.00 0.00 60.65 55.76 2ba1 s ILE 42 Cb 0.15 -1.96 0.14 0.00 -1.58 0.00 0.00 42.46 39.21 2ba1 s ILE 42 CO 0.74 -0.92 1.67 -0.33 -1.23 0.00 0.00 174.94 174.88 2ba1 h GLU 43 N 6.65 0.08 0.00 2.79 3.07 -1.98 -1.03 114.58 124.16 2ba1 h GLU 43 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ba1 h GLU 43 Cb 0.92 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2ba1 h GLU 43 CO 0.48 0.06 0.02 1.63 -1.40 0.00 0.00 179.01 179.80 2ba1 n LYS 44 N -5.26 0.05 -3.34 2.33 5.02 -1.26 -4.60 118.16 111.09 2ba1 n LYS 44 Ca 0.05 0.54 -0.33 0.00 -2.02 0.00 0.00 58.31 56.55 2ba1 n LYS 44 Cb 0.27 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2ba1 n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ba1 s ALA 45 N -3.16 3.52 0.29 7.82 0.00 -0.39 -4.96 121.76 124.87 2ba1 s ALA 45 Ca -0.01 -0.16 0.30 0.00 0.00 0.00 0.00 51.96 52.09 2ba1 s ALA 45 Cb 0.02 -2.53 1.40 0.00 0.00 0.00 0.00 23.12 22.01 2ba1 s ALA 45 CO 0.07 0.46 2.02 0.93 0.00 0.00 0.00 175.76 179.23 2ba1 h GLU 46 N 2.79 0.00 -1.95 0.00 3.07 -1.63 -3.45 114.58 113.42 2ba1 h GLU 46 Ca -0.48 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2ba1 h GLU 46 Cb 1.18 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.89 2ba1 h GLU 46 CO 0.67 0.10 0.32 0.20 -1.40 0.00 0.00 179.01 178.91 2ba1 s GLY 47 N -4.21 -0.48 0.04 -3.84 0.00 -1.15 0.34 107.32 98.01 2ba1 s GLY 47 Ca -0.01 1.47 -0.28 0.00 0.00 0.00 0.00 44.72 45.90 2ba1 s GLY 47 CO 0.57 0.88 0.88 -1.35 0.00 0.00 0.00 173.10 174.08 2ba1 s SER 48 N -1.36 -0.35 -0.25 1.64 1.04 -1.25 -0.48 113.70 112.69 2ba1 s SER 48 Ca -0.06 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.04 2ba1 s SER 48 Cb -0.00 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.63 2ba1 s SER 48 CO 0.04 -0.70 0.88 0.00 0.98 0.00 0.00 173.24 174.44 2ba1 s ALA 49 N -3.20 -1.88 -0.15 5.32 0.00 -0.55 -1.91 121.76 119.39 2ba1 s ALA 49 Ca 0.06 1.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.87 2ba1 s ALA 49 Cb -0.01 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 2ba1 s ALA 49 CO -0.07 -0.29 -0.11 -1.17 0.00 0.00 0.00 175.76 174.11 2ba1 s LEU 50 N 0.05 2.76 -0.03 0.00 2.96 0.19 -1.09 118.68 123.52 2ba1 s LEU 50 Ca 0.00 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 2ba1 s LEU 50 Cb -0.04 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 2ba1 s LEU 50 CO -0.01 0.12 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.20 2ba1 s VAL 51 N 0.64 1.95 -0.13 1.68 1.01 -0.47 0.27 120.40 125.35 2ba1 s VAL 51 Ca -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2ba1 s VAL 51 Cb -0.15 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 2ba1 s VAL 51 CO 0.03 0.55 -0.20 -0.54 0.00 0.00 0.00 175.10 174.94 2ba1 s LYS 52 N -0.39 3.14 -0.35 2.72 1.02 0.52 -2.35 119.74 124.05 2ba1 s LYS 52 Ca 0.04 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.23 2ba1 s LYS 52 Cb -0.11 -2.47 0.11 0.00 -0.52 0.00 0.00 37.83 34.84 2ba1 s LYS 52 CO 0.01 0.10 0.12 -1.17 -0.92 0.00 0.00 175.35 173.49 2ba1 s LEU 53 N 0.57 3.05 0.00 3.17 2.96 -0.26 -0.13 118.68 128.03 2ba1 s LEU 53 Ca -0.11 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.79 2ba1 s LEU 53 Cb -0.16 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.40 2ba1 s LEU 53 CO 0.04 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 2ba1 n GLY 54 N 4.39 2.45 0.31 7.98 0.00 -0.60 -0.99 105.19 118.72 2ba1 n GLY 54 Ca 0.02 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2ba1 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ba1 n ASP 55 N 4.68 1.13 -4.71 1.61 10.43 -1.26 -4.88 116.55 123.55 2ba1 n ASP 55 Ca 0.00 -1.05 -0.42 0.00 2.57 0.00 0.00 54.79 55.89 2ba1 n ASP 55 Cb 0.00 0.09 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 2ba1 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2ba1 s THR 56 N -2.36 3.86 -0.01 -3.53 2.01 -0.16 -4.65 115.64 110.80 2ba1 s THR 56 Ca 0.28 1.32 0.05 0.00 0.31 0.00 0.00 61.69 63.66 2ba1 s THR 56 Cb 0.20 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2ba1 s THR 56 CO 0.47 0.08 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.21 2ba1 s GLN 57 N 1.30 1.41 -0.05 4.92 -0.21 0.08 -1.10 119.66 126.02 2ba1 s GLN 57 Ca 0.60 -0.61 -0.17 0.00 0.02 0.00 0.00 55.36 55.20 2ba1 s GLN 57 Cb -0.31 -1.36 0.03 0.00 1.00 0.00 0.00 33.01 32.38 2ba1 s GLN 57 CO 0.28 0.36 0.38 0.54 -2.12 0.00 0.00 175.29 174.74 2ba1 s VAL 58 N -0.38 0.04 -0.03 1.09 0.11 -0.99 -1.19 120.40 119.04 2ba1 s VAL 58 Ca 0.06 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 2ba1 s VAL 58 Cb -0.07 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2ba1 s VAL 58 CO -0.01 -0.17 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.80 2ba1 s VAL 59 N -0.98 0.90 -0.03 2.04 1.01 0.35 -1.37 120.40 122.32 2ba1 s VAL 59 Ca -0.10 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2ba1 s VAL 59 Cb -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2ba1 s VAL 59 CO 0.04 0.27 -0.25 -0.69 0.00 0.00 0.00 175.10 174.48 2ba1 s VAL 60 N 0.11 2.16 0.07 2.92 1.01 -0.25 0.07 120.40 126.49 2ba1 s VAL 60 Ca -0.02 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2ba1 s VAL 60 Cb -0.08 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2ba1 s VAL 60 CO 0.01 0.58 -0.19 -0.83 0.00 0.00 0.00 175.10 174.66 2ba1 s GLY 61 N -0.53 1.11 -0.04 4.51 0.00 -0.14 -1.48 107.32 110.75 2ba1 s GLY 61 Ca 0.07 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.74 2ba1 s GLY 61 CO 0.00 -1.09 -0.21 0.14 0.00 0.00 0.00 173.10 171.94 2ba1 s VAL 62 N -1.02 1.71 -0.03 1.40 1.01 0.37 -0.90 120.40 122.93 2ba1 s VAL 62 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2ba1 s VAL 62 Cb -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2ba1 s VAL 62 CO 0.03 0.48 -0.12 -0.54 0.00 0.00 0.00 175.10 174.95 2ba1 s LYS 63 N -0.18 1.29 -0.05 2.72 -0.14 -0.45 -1.88 119.74 121.04 2ba1 s LYS 63 Ca -0.00 -0.41 0.05 0.00 -1.36 0.00 0.00 55.97 54.24 2ba1 s LYS 63 Cb -0.11 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.88 2ba1 s LYS 63 CO 0.02 0.15 -0.21 -1.64 -0.76 0.00 0.00 175.35 172.91 2ba1 s MET 64 N 0.19 2.18 -0.05 1.68 -1.94 -1.26 -0.01 119.30 120.08 2ba1 s MET 64 Ca -0.04 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.00 2ba1 s MET 64 Cb -0.10 -1.84 0.04 0.00 2.01 0.00 0.00 34.83 34.94 2ba1 s MET 64 CO 0.01 0.28 0.46 1.14 -0.01 0.00 0.00 175.02 176.90 2ba1 s GLN 65 N 0.01 0.78 0.86 2.03 -2.07 -1.07 -4.78 119.66 115.42 2ba1 s GLN 65 Ca -0.05 0.09 -0.13 0.00 -1.82 0.00 0.00 55.36 53.45 2ba1 s GLN 65 Cb -0.13 0.36 0.13 0.00 -1.09 0.00 0.00 33.01 32.28 2ba1 s GLN 65 CO 0.03 -0.21 1.22 -1.25 -1.32 0.00 0.00 175.29 173.76 2ba1 s PRO 66 N -1.03 1.44 0.00 9.60 0.04 -1.26 -0.45 135.00 143.33 2ba1 s PRO 66 Ca -0.11 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2ba1 s PRO 66 Cb -0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2ba1 s PRO 66 CO 0.06 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.61 2ba1 n GLY 67 N -3.46 0.00 3.59 0.56 0.00 -0.91 -4.81 105.19 100.16 2ba1 n GLY 67 Ca 0.11 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2ba1 n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ba1 s GLU 68 N 0.00 3.44 -0.08 1.61 2.12 -1.26 -3.50 118.70 121.03 2ba1 s GLU 68 Ca 0.00 0.67 -0.14 0.00 0.36 0.00 0.00 54.97 55.87 2ba1 s GLU 68 Cb 0.00 -4.07 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 2ba1 s GLU 68 CO 0.00 -1.75 0.34 -1.25 -0.54 0.00 0.00 175.26 172.06 2ba1 s PRO 69 N 5.20 3.99 0.41 4.30 0.04 -1.26 -4.85 135.00 142.83 2ba1 s PRO 69 Ca 0.56 0.24 -0.27 0.00 0.04 0.00 0.00 61.00 61.58 2ba1 s PRO 69 Cb -0.12 -3.30 -0.10 0.00 0.04 0.00 0.00 34.50 31.03 2ba1 s PRO 69 CO 0.29 0.52 1.42 0.66 0.04 0.00 0.00 177.00 179.93 2ba1 n TYR 70 N 2.55 2.71 -0.26 0.56 0.53 -1.26 -4.81 117.16 117.18 2ba1 n TYR 70 Ca -0.14 0.46 0.09 0.00 -1.02 0.00 0.00 57.90 57.29 2ba1 n TYR 70 Cb 0.53 -2.47 0.34 0.00 -1.03 0.00 0.00 39.34 36.70 2ba1 n TYR 70 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2ba1 h PRO 71 N 2.53 0.76 0.00 -0.72 0.13 -2.00 -0.89 132.00 131.81 2ba1 h PRO 71 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2ba1 h PRO 71 Cb 1.26 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ba1 h PRO 71 CO 0.62 0.50 0.00 -0.44 -0.23 0.00 0.00 178.00 178.45 2ba1 h ASP 72 N 0.78 0.00 -1.07 1.44 3.45 -2.03 -3.34 116.42 115.65 2ba1 h ASP 72 Ca 0.41 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 57.42 2ba1 h ASP 72 Cb 0.51 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.87 2ba1 h ASP 72 CO -0.17 0.00 -0.97 0.35 -1.57 0.00 0.00 179.24 176.87 2ba1 n THR 73 N -2.91 1.72 -0.49 0.35 -2.24 -0.42 -4.98 114.28 105.31 2ba1 n THR 73 Ca 0.04 -3.85 -0.19 0.00 -2.27 0.00 0.00 64.05 57.77 2ba1 n THR 73 Cb 0.46 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 2ba1 n THR 73 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ba1 n PRO 74 N -0.37 0.98 0.00 -0.78 -0.04 -0.72 -0.39 135.00 133.69 2ba1 n PRO 74 Ca 0.24 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 2ba1 n PRO 74 Cb 0.78 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 2ba1 n PRO 74 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ba1 n ASP 75 N 5.49 0.00 -4.03 3.54 4.64 -1.26 -2.64 116.55 122.29 2ba1 n ASP 75 Ca 0.29 0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.45 2ba1 n ASP 75 Cb 0.15 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.07 2ba1 n ASP 75 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 2ba1 s ARG 76 N 0.00 1.64 1.38 -0.67 3.52 0.48 -4.63 118.95 120.66 2ba1 s ARG 76 Ca 0.00 -0.41 -0.22 0.00 -0.13 0.00 0.00 55.73 54.97 2ba1 s ARG 76 Cb 0.00 -1.37 0.34 0.00 -1.56 0.00 0.00 34.95 32.36 2ba1 s ARG 76 CO 0.00 0.04 0.77 0.41 -0.81 0.00 0.00 175.30 175.72 2ba1 n GLY 77 N 3.74 -3.62 2.95 8.12 0.00 0.65 -4.64 105.19 112.39 2ba1 n GLY 77 Ca -0.22 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 2ba1 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ba1 s VAL 78 N -2.10 0.56 -0.10 1.61 1.01 -0.97 -4.92 120.40 115.47 2ba1 s VAL 78 Ca 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2ba1 s VAL 78 Cb -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2ba1 s VAL 78 CO 0.50 0.19 -0.09 -0.63 0.00 0.00 0.00 175.10 175.08 2ba1 s ILE 79 N 0.32 1.05 -0.10 2.22 1.01 -1.26 0.67 121.20 125.11 2ba1 s ILE 79 Ca -0.04 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.31 2ba1 s ILE 79 Cb -0.08 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2ba1 s ILE 79 CO 0.00 0.36 -0.20 -0.63 0.00 0.00 0.00 174.94 174.48 2ba1 s ILE 80 N 1.49 2.46 -0.08 2.92 1.01 -0.04 -4.99 121.20 123.97 2ba1 s ILE 80 Ca 0.01 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.82 2ba1 s ILE 80 Cb -0.13 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 2ba1 s ILE 80 CO -0.06 0.55 -0.24 -0.69 0.00 0.00 0.00 174.94 174.51 2ba1 s VAL 81 N 0.14 2.01 0.07 2.92 1.01 -1.26 0.24 120.40 125.54 2ba1 s VAL 81 Ca -0.11 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2ba1 s VAL 81 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2ba1 s VAL 81 CO 0.06 0.55 -0.06 0.21 0.00 0.00 0.00 175.10 175.86 2ba1 s ASN 82 N 0.11 0.93 0.03 3.32 2.47 0.24 -4.81 114.94 117.23 2ba1 s ASN 82 Ca -0.12 -0.88 0.01 0.00 0.42 0.00 0.00 52.86 52.30 2ba1 s ASN 82 Cb -0.16 0.10 -0.02 0.00 -1.45 0.00 0.00 41.25 39.72 2ba1 s ASN 82 CO 0.06 -0.42 -0.05 0.00 -3.72 0.00 0.00 177.10 172.97 2ba1 s ALA 83 N -3.05 0.32 -0.10 1.71 0.00 -1.26 0.13 121.76 119.51 2ba1 s ALA 83 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.36 2ba1 s ALA 83 Cb 0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2ba1 s ALA 83 CO -0.04 -0.09 -0.10 -1.21 0.00 0.00 0.00 175.76 174.32 2ba1 s GLU 84 N -1.47 1.62 -0.68 0.00 2.02 0.11 -4.88 118.70 115.41 2ba1 s GLU 84 Ca -0.13 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.59 2ba1 s GLU 84 Cb -0.10 -1.54 0.27 0.00 0.10 0.00 0.00 34.13 32.86 2ba1 s GLU 84 CO -0.00 -0.16 0.85 1.28 0.02 0.00 0.00 175.26 177.25 2ba1 n LEU 85 N 4.53 4.15 -3.24 1.80 4.32 -1.26 -2.06 117.00 125.24 2ba1 n LEU 85 Ca -0.17 -5.45 -0.13 0.00 -0.02 0.00 0.00 56.01 50.24 2ba1 n LEU 85 Cb 0.51 -0.72 -0.04 0.00 -1.62 0.00 0.00 43.42 41.55 2ba1 n LEU 85 CO 0.20 2.06 1.03 0.52 -1.22 0.00 0.00 177.39 179.97 2ba1 n VAL 86 N 0.76 0.00 0.00 4.08 0.31 -1.26 -5.05 118.33 117.17 2ba1 n VAL 86 Ca 0.30 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2ba1 n VAL 86 Cb 0.40 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2ba1 n VAL 86 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2ba1 n PRO 98 N 5.58 0.00 -0.05 5.55 -0.02 -1.26 -5.17 135.00 139.63 2ba1 n PRO 98 Ca 0.14 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.47 2ba1 n PRO 98 Cb 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.48 2ba1 n PRO 98 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ba1 h ASP 99 N 0.00 0.09 -0.90 2.55 -0.00 -1.98 -2.66 116.42 113.52 2ba1 h ASP 99 Ca 0.00 -0.99 0.16 0.00 -0.00 0.00 0.00 57.03 56.20 2ba1 h ASP 99 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.33 39.23 2ba1 h ASP 99 CO 0.00 1.07 0.58 -0.08 -0.00 0.00 0.00 179.24 180.82 2ba1 h GLU 100 N -0.87 0.63 0.01 0.28 4.81 -2.04 0.21 114.58 117.60 2ba1 h GLU 100 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2ba1 h GLU 100 Cb 1.12 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2ba1 h GLU 100 CO 0.03 0.42 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.81 2ba1 h ASN 101 N 0.65 -0.01 -0.77 1.04 2.35 -2.00 -2.11 115.58 114.73 2ba1 h ASN 101 Ca 0.46 -0.72 0.15 0.00 -0.55 0.00 0.00 56.30 55.64 2ba1 h ASN 101 Cb 0.81 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 2ba1 h ASN 101 CO -0.22 0.73 0.52 -1.28 -1.65 0.00 0.00 177.43 175.53 2ba1 h SER 102 N -0.76 0.42 -0.14 5.81 0.87 -1.04 0.13 113.55 118.85 2ba1 h SER 102 Ca -0.00 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2ba1 h SER 102 Cb 0.73 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2ba1 h SER 102 CO 0.00 0.21 -0.22 0.40 -0.53 0.00 0.00 176.83 176.70 2ba1 h ILE 103 N 0.45 1.37 -0.72 2.23 2.04 -0.61 -2.11 117.51 120.15 2ba1 h ILE 103 Ca 0.38 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 2ba1 h ILE 103 Cb 0.85 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 2ba1 h ILE 103 CO -0.13 0.43 0.29 -0.08 0.00 0.00 0.00 178.15 178.66 2ba1 h GLU 104 N -0.01 1.06 -0.35 2.37 4.81 -0.48 -0.91 114.58 121.07 2ba1 h GLU 104 Ca 0.01 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2ba1 h GLU 104 Cb 0.79 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2ba1 h GLU 104 CO 0.05 0.86 0.15 1.25 -0.73 0.00 0.00 179.01 180.58 2ba1 h LEU 105 N 1.04 0.48 -0.31 1.64 6.46 -0.78 -1.87 115.31 121.97 2ba1 h LEU 105 Ca 0.24 -0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 2ba1 h LEU 105 Cb 0.19 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2ba1 h LEU 105 CO -0.02 0.50 0.09 0.00 -0.62 0.00 0.00 178.44 178.39 2ba1 h ALA 106 N 0.99 0.41 -0.84 1.25 0.00 -1.08 -2.79 119.26 117.20 2ba1 h ALA 106 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2ba1 h ALA 106 Cb 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2ba1 h ALA 106 CO -0.01 0.05 0.53 0.00 0.00 0.00 0.00 179.25 179.82 2ba1 h ARG 107 N 0.34 0.97 0.46 0.00 3.08 -1.01 -0.35 114.38 117.88 2ba1 h ARG 107 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2ba1 h ARG 107 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2ba1 h ARG 107 CO -0.00 0.65 -0.22 0.28 -1.07 0.00 0.00 179.97 179.60 2ba1 h VAL 108 N 1.00 0.53 -0.75 2.04 2.07 -1.27 0.19 116.25 120.06 2ba1 h VAL 108 Ca 0.35 -0.26 0.14 0.00 0.82 0.00 0.00 66.70 67.75 2ba1 h VAL 108 Cb 0.08 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 2ba1 h VAL 108 CO -0.14 0.05 0.30 0.58 0.02 0.00 0.00 177.57 178.37 2ba1 h VAL 109 N -0.77 0.65 -0.15 2.57 2.07 -1.35 -0.72 116.25 118.55 2ba1 h VAL 109 Ca -0.06 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2ba1 h VAL 109 Cb 0.54 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2ba1 h VAL 109 CO 0.10 0.08 0.04 -0.78 0.02 0.00 0.00 177.57 177.04 2ba1 h ASP 110 N 0.43 0.21 -0.53 0.57 3.58 -0.83 -2.65 116.42 117.21 2ba1 h ASP 110 Ca 0.41 -0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.73 2ba1 h ASP 110 Cb 0.63 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.57 2ba1 h ASP 110 CO -0.41 0.36 0.21 0.03 -2.88 0.00 0.00 179.24 176.55 2ba1 h ARG 111 N 0.05 0.39 -0.07 0.28 3.08 0.55 0.44 114.38 119.10 2ba1 h ARG 111 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2ba1 h ARG 111 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2ba1 h ARG 111 CO -0.00 0.26 -0.06 0.78 -1.07 0.00 0.00 179.97 179.88 2ba1 h GLY 112 N 0.40 0.10 0.98 0.04 0.00 -1.11 0.31 103.07 103.79 2ba1 h GLY 112 Ca 0.25 -0.05 -0.30 0.00 0.00 0.00 0.00 47.33 47.24 2ba1 h GLY 112 CO -0.24 0.05 -1.36 -2.22 0.00 0.00 0.00 176.54 172.76 2ba1 h ILE 113 N 0.09 1.25 0.31 2.60 2.04 -0.88 -3.17 117.51 119.76 2ba1 h ILE 113 Ca 0.02 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.27 2ba1 h ILE 113 Cb 0.17 3.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2ba1 h ILE 113 CO 0.01 0.79 -0.15 -0.09 0.00 0.00 0.00 178.15 178.70 2ba1 h ARG 114 N -0.04 -0.41 0.00 2.37 2.43 0.28 -2.44 114.38 116.58 2ba1 h ARG 114 Ca -0.25 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2ba1 h ARG 114 Cb 1.99 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2ba1 h ARG 114 CO 0.21 -0.14 -0.01 0.93 -1.51 0.00 0.00 179.97 179.45 2ba1 h GLU 115 N -0.64 0.00 -0.00 0.20 4.39 -0.57 -2.20 114.58 115.75 2ba1 h GLU 115 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2ba1 h GLU 115 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2ba1 h GLU 115 CO 0.07 0.01 -0.53 -1.13 -1.16 0.00 0.00 179.01 176.27 2ba1 n SER 116 N -3.11 0.97 -3.47 1.42 3.41 -1.20 -4.95 113.62 106.69 2ba1 n SER 116 Ca 0.00 -0.77 -0.25 0.00 -0.26 0.00 0.00 58.87 57.59 2ba1 n SER 116 Cb 0.29 0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.68 2ba1 n SER 116 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ba1 n GLU 117 N -1.05 -5.11 0.05 4.33 1.02 -0.83 -4.74 120.64 114.31 2ba1 n GLU 117 Ca 0.08 0.68 0.21 0.00 -0.02 0.00 0.00 57.16 58.11 2ba1 n GLU 117 Cb 0.36 -5.54 0.73 0.00 -0.02 0.00 0.00 31.44 26.96 2ba1 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ba1 h ALA 118 N 0.99 2.23 -3.43 0.62 0.00 -1.78 -3.36 119.26 114.52 2ba1 h ALA 118 Ca -0.53 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 53.78 2ba1 h ALA 118 Cb 1.35 0.04 -0.38 0.00 0.00 0.00 0.00 17.79 18.80 2ba1 h ALA 118 CO 0.59 -0.74 -0.79 0.08 0.00 0.00 0.00 179.25 178.39 2ba1 s VAL 119 N -4.66 1.32 -0.55 0.00 1.01 -1.26 -0.41 120.40 115.85 2ba1 s VAL 119 Ca -0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 2ba1 s VAL 119 Cb 0.16 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 2ba1 s VAL 119 CO 0.57 0.05 2.40 -0.62 0.00 0.00 0.00 175.10 177.50 2ba1 s ASP 120 N 1.52 4.35 0.40 3.32 3.68 -1.24 -4.78 116.67 123.92 2ba1 s ASP 120 Ca -0.02 0.86 0.29 0.00 2.13 0.00 0.00 52.55 55.81 2ba1 s ASP 120 Cb -0.17 -2.51 1.21 0.00 -1.45 0.00 0.00 42.92 40.00 2ba1 s ASP 120 CO -0.07 -3.06 1.85 -0.07 0.13 0.00 0.00 175.17 173.94 2ba1 h LEU 121 N 20.11 0.00 -0.42 -1.34 3.38 -1.92 -2.59 115.31 132.54 2ba1 h LEU 121 Ca -0.19 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2ba1 h LEU 121 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2ba1 h LEU 121 CO 1.13 0.00 -0.40 0.77 0.09 0.00 0.00 178.44 180.03 2ba1 h SER 122 N 0.00 0.00 1.45 -0.43 4.64 -1.86 1.92 113.55 119.27 2ba1 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ba1 h SER 122 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2ba1 h SER 122 CO 0.00 0.40 -0.00 0.29 -0.87 0.00 0.00 176.83 176.65 2ba1 n LYS 123 N -3.32 0.25 -0.74 4.77 5.02 -0.98 -3.59 118.16 119.57 2ba1 n LYS 123 Ca 0.01 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 2ba1 n LYS 123 Cb 0.62 -1.79 0.16 0.00 -0.02 0.00 0.00 35.03 34.00 2ba1 n LYS 123 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ba1 n LEU 124 N -2.23 5.09 -4.86 -0.35 4.77 -1.19 -4.92 117.00 113.31 2ba1 n LEU 124 Ca 0.06 -2.67 -0.32 0.00 -0.03 0.00 0.00 56.01 53.05 2ba1 n LEU 124 Cb 0.43 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 2ba1 n LEU 124 CO 0.30 0.76 0.31 -0.69 -1.33 0.00 0.00 177.39 176.74 2ba1 s VAL 125 N -2.14 4.82 0.00 4.08 1.01 -1.24 -0.98 120.40 125.94 2ba1 s VAL 125 Ca 0.37 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2ba1 s VAL 125 Cb 0.30 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ba1 s VAL 125 CO 0.08 -0.11 0.00 -0.38 0.00 0.00 0.00 175.10 174.69 2ba1 n ILE 126 N -0.22 0.00 -3.27 2.22 5.41 -0.97 -4.87 119.36 117.66 2ba1 n ILE 126 Ca 0.02 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 2ba1 n ILE 126 Cb 0.53 -0.26 -0.05 0.00 -0.71 0.00 0.00 39.64 39.15 2ba1 n ILE 126 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2ba1 s GLU 127 N -1.51 0.75 0.00 0.38 2.56 0.27 -4.93 118.70 116.22 2ba1 s GLU 127 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.18 2ba1 s GLU 127 Cb 0.00 -0.47 0.00 0.00 2.00 0.00 0.00 34.13 35.66 2ba1 s GLU 127 CO 0.00 -1.22 0.00 0.39 -0.56 0.00 0.00 175.26 173.87 2ba1 n GLU 128 N 4.08 0.00 -1.28 4.30 1.02 -1.26 0.15 120.64 127.65 2ba1 n GLU 128 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 2ba1 n GLU 128 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.87 2ba1 n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ba1 n GLY 129 N 0.00 1.13 1.30 0.62 0.00 -1.08 -4.84 105.19 102.31 2ba1 n GLY 129 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2ba1 n GLY 129 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ba1 n GLU 130 N -2.67 0.00 -4.31 1.61 2.13 0.40 -4.89 120.64 112.91 2ba1 n GLU 130 Ca -0.10 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.51 2ba1 n GLU 130 Cb 0.33 -0.36 -0.16 0.00 0.27 0.00 0.00 31.44 31.51 2ba1 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ba1 s LYS 131 N -2.00 1.07 -0.11 5.31 1.02 -1.05 -4.67 119.74 119.30 2ba1 s LYS 131 Ca 0.00 -0.21 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 2ba1 s LYS 131 Cb 0.00 -0.98 0.03 0.00 -0.52 0.00 0.00 37.83 36.36 2ba1 s LYS 131 CO 0.00 -0.02 0.30 0.08 -0.92 0.00 0.00 175.35 174.78 2ba1 s VAL 132 N 0.73 -0.00 0.32 3.17 1.01 -1.23 -0.56 120.40 123.84 2ba1 s VAL 132 Ca -0.11 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 2ba1 s VAL 132 Cb -0.14 -0.42 -0.12 0.00 0.00 0.00 0.00 36.38 35.69 2ba1 s VAL 132 CO 0.01 0.00 1.34 0.79 0.00 0.00 0.00 175.10 177.24 2ba1 n TRP 133 N 2.98 2.34 -3.98 5.22 7.02 -0.15 -2.13 117.44 128.73 2ba1 n TRP 133 Ca -0.13 0.51 -0.31 0.00 -1.02 0.00 0.00 57.50 56.55 2ba1 n TRP 133 Cb 0.58 -2.44 -0.15 0.00 -2.42 0.00 0.00 31.31 26.87 2ba1 n TRP 133 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2ba1 s ILE 134 N -0.87 1.75 -0.34 -0.99 1.01 0.40 -2.30 121.20 119.86 2ba1 s ILE 134 Ca 0.58 -1.39 -0.21 0.00 0.00 0.00 0.00 60.65 59.63 2ba1 s ILE 134 Cb -0.57 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 39.92 2ba1 s ILE 134 CO 0.60 -0.10 0.64 -0.69 0.00 0.00 0.00 174.94 175.39 2ba1 s VAL 135 N 1.29 4.89 -0.22 2.92 1.01 0.21 -2.58 120.40 127.92 2ba1 s VAL 135 Ca -0.06 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 2ba1 s VAL 135 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2ba1 s VAL 135 CO -0.06 -0.28 0.34 -0.36 0.00 0.00 0.00 175.10 174.74 2ba1 s PHE 136 N 2.71 3.34 -0.29 5.22 0.40 0.99 -0.86 117.98 129.49 2ba1 s PHE 136 Ca 0.25 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 57.05 2ba1 s PHE 136 Cb -0.14 -2.47 0.03 0.00 0.51 0.00 0.00 43.02 40.95 2ba1 s PHE 136 CO 0.14 -0.02 0.01 0.08 0.70 0.00 0.00 175.22 176.13 2ba1 s VAL 137 N 1.35 3.22 -0.18 -0.44 1.01 0.14 -1.34 120.40 124.15 2ba1 s VAL 137 Ca 0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2ba1 s VAL 137 Cb -0.15 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 2ba1 s VAL 137 CO 0.07 0.02 -0.12 -1.81 0.00 0.00 0.00 175.10 173.27 2ba1 s ASP 138 N 1.34 3.85 -0.19 3.32 1.11 -0.08 -0.59 116.67 125.43 2ba1 s ASP 138 Ca -0.02 -0.45 -0.13 0.00 0.18 0.00 0.00 52.55 52.14 2ba1 s ASP 138 Cb -0.18 -1.62 -0.05 0.00 1.07 0.00 0.00 42.92 42.14 2ba1 s ASP 138 CO -0.01 0.04 0.24 -0.63 1.18 0.00 0.00 175.17 175.99 2ba1 s ILE 139 N 1.07 5.33 -0.19 0.77 1.01 0.12 -0.97 121.20 128.34 2ba1 s ILE 139 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2ba1 s ILE 139 Cb -0.15 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 38.79 2ba1 s ILE 139 CO -0.03 0.38 -0.07 -2.28 0.00 0.00 0.00 174.94 172.94 2ba1 s HIS 140 N 0.61 2.13 0.07 3.97 2.46 0.11 -0.72 115.29 123.93 2ba1 s HIS 140 Ca 0.13 -1.43 -0.30 0.00 0.47 0.00 0.00 55.06 53.93 2ba1 s HIS 140 Cb -0.13 -1.50 -0.05 0.00 -0.13 0.00 0.00 32.58 30.77 2ba1 s HIS 140 CO 0.03 -0.70 1.01 0.00 -2.47 0.00 0.00 174.74 172.60 2ba1 s ALA 141 N 1.49 3.24 -0.20 1.58 0.00 -0.87 -0.49 121.76 126.51 2ba1 s ALA 141 Ca -0.01 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 2ba1 s ALA 141 Cb -0.16 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 2ba1 s ALA 141 CO -0.08 -0.17 -0.27 1.28 0.00 0.00 0.00 175.76 176.53 2ba1 n LEU 142 N 3.26 1.48 -3.79 0.00 4.77 -0.34 -4.65 117.00 117.73 2ba1 n LEU 142 Ca 0.04 0.25 -0.27 0.00 -0.03 0.00 0.00 56.01 56.00 2ba1 n LEU 142 Cb 0.49 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 2ba1 n LEU 142 CO 0.52 0.36 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.93 2ba1 s ASP 143 N -6.78 2.85 -0.67 -1.43 3.68 -0.78 -4.94 116.67 108.59 2ba1 s ASP 143 Ca -0.28 -0.74 -0.23 0.00 2.13 0.00 0.00 52.55 53.42 2ba1 s ASP 143 Cb 0.10 -0.71 0.07 0.00 -1.45 0.00 0.00 42.92 40.93 2ba1 s ASP 143 CO 0.36 -0.26 1.00 -0.62 0.13 0.00 0.00 175.17 175.78 2ba1 s ASP 144 N 1.77 6.18 -0.16 -0.34 3.68 -1.26 -0.74 116.67 125.80 2ba1 s ASP 144 Ca -0.00 -0.95 0.17 0.00 2.13 0.00 0.00 52.55 53.89 2ba1 s ASP 144 Cb -0.16 -2.43 0.36 0.00 -1.45 0.00 0.00 42.92 39.24 2ba1 s ASP 144 CO -0.07 -1.48 1.22 -0.67 0.13 0.00 0.00 175.17 174.30 2ba1 n ASP 145 N 7.85 2.51 0.00 -0.34 4.64 -1.26 -4.90 116.55 125.06 2ba1 n ASP 145 Ca -0.03 -3.24 0.00 0.00 -1.38 0.00 0.00 54.79 50.14 2ba1 n ASP 145 Cb 0.46 -0.48 0.00 0.00 -1.04 0.00 0.00 41.12 40.06 2ba1 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2ba1 n GLY 146 N -1.22 2.94 3.64 0.27 0.00 -1.26 0.12 105.19 109.67 2ba1 n GLY 146 Ca 0.18 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 2ba1 n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ba1 n ASN 147 N 0.00 -1.43 0.30 1.61 4.05 -1.22 -4.76 115.26 113.80 2ba1 n ASN 147 Ca 0.00 -0.77 0.17 0.00 0.45 0.00 0.00 54.58 54.43 2ba1 n ASN 147 Cb 0.00 -4.32 0.92 0.00 1.23 0.00 0.00 39.78 37.62 2ba1 n ASN 147 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2ba1 h LEU 148 N -1.88 0.00 0.06 1.20 3.38 -1.95 -2.86 115.31 113.25 2ba1 h LEU 148 Ca -0.61 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 2ba1 h LEU 148 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ba1 h LEU 148 CO 0.55 0.04 -0.03 0.25 0.09 0.00 0.00 178.44 179.34 2ba1 h LEU 149 N 0.00 -0.07 -0.31 1.67 5.85 -1.96 0.19 115.31 120.67 2ba1 h LEU 149 Ca -0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2ba1 h LEU 149 Cb 0.17 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2ba1 h LEU 149 CO 0.01 -0.04 -0.26 0.44 -0.34 0.00 0.00 178.44 178.25 2ba1 h ASP 150 N -0.09 0.77 -0.24 1.25 3.45 -1.79 -1.43 116.42 118.34 2ba1 h ASP 150 Ca -0.01 -0.45 0.02 0.00 0.43 0.00 0.00 57.03 57.02 2ba1 h ASP 150 Cb 0.07 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 2ba1 h ASP 150 CO 0.01 1.06 0.10 0.00 -1.57 0.00 0.00 179.24 178.84 2ba1 h ALA 151 N 0.73 0.28 -0.11 3.45 0.00 -1.47 0.46 119.26 122.61 2ba1 h ALA 151 Ca 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ba1 h ALA 151 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2ba1 h ALA 151 CO 0.07 -0.31 -0.13 0.77 0.00 0.00 0.00 179.25 179.65 2ba1 h SER 152 N 0.22 0.16 -0.24 0.00 0.02 -0.53 0.16 113.55 113.34 2ba1 h SER 152 Ca 0.10 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.87 2ba1 h SER 152 Cb 0.05 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2ba1 h SER 152 CO -0.09 0.31 -0.45 0.00 -1.14 0.00 0.00 176.83 175.46 2ba1 h ALA 153 N 1.71 0.38 -0.54 3.77 0.00 -0.54 0.14 119.26 124.17 2ba1 h ALA 153 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2ba1 h ALA 153 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2ba1 h ALA 153 CO 0.02 0.52 0.05 -0.07 0.00 0.00 0.00 179.25 179.77 2ba1 h LEU 154 N 0.46 0.89 -0.49 0.00 4.07 -0.47 -2.60 115.31 117.17 2ba1 h LEU 154 Ca 0.01 -0.28 -0.15 0.00 0.08 0.00 0.00 57.88 57.54 2ba1 h LEU 154 Cb 1.05 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.55 2ba1 h LEU 154 CO 0.10 0.95 -0.41 0.00 -1.08 0.00 0.00 178.44 178.00 2ba1 h ALA 155 N 0.97 0.67 -0.14 1.53 0.00 -0.60 -1.63 119.26 120.05 2ba1 h ALA 155 Ca 0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2ba1 h ALA 155 Cb 0.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ba1 h ALA 155 CO 0.02 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.94 2ba1 h ALA 156 N 0.89 0.19 -0.60 0.00 0.00 -0.65 0.20 119.26 119.29 2ba1 h ALA 156 Ca 0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2ba1 h ALA 156 Cb 0.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2ba1 h ALA 156 CO 0.09 -0.11 0.01 0.97 0.00 0.00 0.00 179.25 180.21 2ba1 h ILE 157 N -0.02 1.27 -0.91 0.00 6.09 -1.52 -0.17 117.51 122.25 2ba1 h ILE 157 Ca 0.04 -1.13 -0.01 0.00 -1.37 0.00 0.00 64.86 62.39 2ba1 h ILE 157 Cb 0.37 0.81 -0.04 0.00 0.47 0.00 0.00 36.82 38.42 2ba1 h ILE 157 CO 0.01 0.41 0.53 0.00 -3.07 0.00 0.00 178.15 176.03 2ba1 h ALA 158 N 0.99 1.16 -0.23 0.18 0.00 -1.21 -0.03 119.26 120.11 2ba1 h ALA 158 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ba1 h ALA 158 Cb 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ba1 h ALA 158 CO 0.03 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2ba1 h ALA 159 N 1.29 0.31 -0.49 0.00 0.00 -0.20 -2.51 119.26 117.67 2ba1 h ALA 159 Ca 0.32 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2ba1 h ALA 159 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2ba1 h ALA 159 CO -0.06 0.06 0.09 -0.07 0.00 0.00 0.00 179.25 179.27 2ba1 h LEU 160 N 0.18 0.71 -1.70 0.00 3.38 -0.74 -1.94 115.31 115.19 2ba1 h LEU 160 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2ba1 h LEU 160 Cb 0.45 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2ba1 h LEU 160 CO 0.02 0.72 -0.17 0.24 0.09 0.00 0.00 178.44 179.33 2ba1 h MET 161 N 0.72 0.00 -0.76 1.13 2.86 -0.90 -2.41 114.93 115.58 2ba1 h MET 161 Ca 0.16 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.33 2ba1 h MET 161 Cb 0.31 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 31.71 2ba1 h MET 161 CO 0.00 0.17 0.23 0.09 1.06 0.00 0.00 176.91 178.46 2ba1 n ASN 162 N -3.74 4.72 -4.84 1.22 3.02 -0.76 -4.88 115.26 110.00 2ba1 n ASN 162 Ca -0.02 -3.75 -0.35 0.00 -0.03 0.00 0.00 54.58 50.44 2ba1 n ASN 162 Cb 0.28 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2ba1 n ASN 162 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ba1 s THR 163 N -3.97 5.13 -0.22 3.41 2.01 -0.91 -4.29 115.64 116.80 2ba1 s THR 163 Ca 0.54 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2ba1 s THR 163 Cb 0.45 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 69.70 2ba1 s THR 163 CO 0.03 0.46 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.52 2ba1 s LYS 164 N -1.47 2.65 0.19 4.92 2.20 0.15 -1.13 119.74 127.25 2ba1 s LYS 164 Ca 0.21 -1.07 -0.32 0.00 -0.36 0.00 0.00 55.97 54.43 2ba1 s LYS 164 Cb -0.12 -2.76 -0.11 0.00 -1.51 0.00 0.00 37.83 33.33 2ba1 s LYS 164 CO 0.11 -0.39 1.68 0.08 -0.36 0.00 0.00 175.35 176.47 2ba1 s VAL 165 N 1.21 2.22 -1.45 4.02 1.01 -0.01 -4.76 120.40 122.65 2ba1 s VAL 165 Ca -0.02 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 2ba1 s VAL 165 Cb -0.16 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 2ba1 s VAL 165 CO -0.09 0.01 2.73 -0.81 0.00 0.00 0.00 175.10 176.95 2ba1 n PRO 166 N 4.02 4.04 0.28 2.72 -0.04 -1.26 -3.82 135.00 140.94 2ba1 n PRO 166 Ca 0.15 -2.72 -0.14 0.00 -0.04 0.00 0.00 63.50 60.75 2ba1 n PRO 166 Cb 0.36 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.05 2ba1 n PRO 166 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ba1 h ALA 167 N 4.75 -0.74 -0.37 0.55 0.00 -1.81 -3.31 119.26 118.32 2ba1 h ALA 167 Ca 0.78 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.57 2ba1 h ALA 167 Cb 0.32 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2ba1 h ALA 167 CO 1.61 -0.76 -0.37 0.93 0.00 0.00 0.00 179.25 180.66 2ba1 h GLU 168 N -1.05 -0.29 -0.20 0.00 5.08 -1.30 0.16 114.58 116.97 2ba1 h GLU 168 Ca -0.08 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2ba1 h GLU 168 Cb 0.63 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ba1 h GLU 168 CO 0.12 -0.19 0.85 -0.09 -1.00 0.00 0.00 179.01 178.70 2ba1 h ARG 169 N -0.30 0.00 0.00 2.33 2.43 -1.88 -3.24 114.38 113.72 2ba1 h ARG 169 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2ba1 h ARG 169 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2ba1 h ARG 169 CO -0.54 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.11 2ba1 n PHE 170 N -2.79 0.00 0.00 2.20 3.72 0.47 -5.05 117.46 116.01 2ba1 n PHE 170 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2ba1 n PHE 170 Cb 0.93 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 2ba1 n PHE 170 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2ba1 n ASP 171 N -2.26 0.00 -1.57 4.37 2.03 -0.69 -5.01 116.55 113.42 2ba1 n ASP 171 Ca 0.00 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.37 2ba1 n ASP 171 Cb 0.00 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.71 2ba1 n ASP 171 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ba1 n LEU 172 N 0.00 4.63 0.00 -2.67 4.32 -1.10 -5.01 117.00 117.17 2ba1 n LEU 172 Ca 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 56.01 53.64 2ba1 n LEU 172 Cb 0.00 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 2ba1 n LEU 172 CO 0.00 0.55 0.00 0.61 -1.22 0.00 0.00 177.39 177.33 2ba1 n GLY 173 N 0.52 -1.87 3.10 -0.72 0.00 -1.26 -4.81 105.19 100.15 2ba1 n GLY 173 Ca 0.21 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 2ba1 n GLY 173 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ba1 n GLU 174 N 0.00 0.00 -3.31 1.61 -0.58 -1.26 -1.02 120.64 116.09 2ba1 n GLU 174 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2ba1 n GLU 174 Cb 0.00 -0.95 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 2ba1 n GLU 174 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ba1 s ASP 175 N -0.95 6.76 0.03 1.62 1.01 -1.26 -4.47 116.67 119.41 2ba1 s ASP 175 Ca 0.55 1.10 -0.01 0.00 0.71 0.00 0.00 52.55 54.89 2ba1 s ASP 175 Cb -0.54 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.08 2ba1 s ASP 175 CO 0.61 -0.04 -0.01 -0.72 0.21 0.00 0.00 175.17 175.22 2ba1 s TYR 176 N -1.72 0.29 0.57 4.23 1.13 -1.25 -4.99 117.35 115.61 2ba1 s TYR 176 Ca 0.46 -0.60 -0.20 0.00 -1.41 0.00 0.00 57.07 55.32 2ba1 s TYR 176 Cb -0.13 -0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 2ba1 s TYR 176 CO 0.20 -0.25 1.24 -0.51 -2.51 0.00 0.00 175.55 173.72 2ba1 s LEU 177 N -1.77 3.74 0.02 -3.49 1.43 -1.26 -0.83 118.68 116.51 2ba1 s LEU 177 Ca -0.11 2.48 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 2ba1 s LEU 177 Cb -0.06 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2ba1 s LEU 177 CO -0.03 -1.55 1.50 -0.22 0.23 0.00 0.00 176.35 176.29 2ba1 s LEU 178 N -3.86 4.33 -0.43 1.79 2.96 -0.28 -4.75 118.68 118.43 2ba1 s LEU 178 Ca 0.75 2.24 -0.28 0.00 -0.22 0.00 0.00 54.13 56.62 2ba1 s LEU 178 Cb -0.33 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.78 2ba1 s LEU 178 CO 0.37 -0.79 1.82 -2.16 -1.32 0.00 0.00 176.35 174.27 2ba1 s PRO 179 N 2.63 3.08 -0.19 0.98 0.04 -1.26 -4.91 135.00 135.37 2ba1 s PRO 179 Ca 0.68 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 2ba1 s PRO 179 Cb -0.34 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.92 2ba1 s PRO 179 CO 0.28 -2.17 -0.04 0.08 0.04 0.00 0.00 177.00 175.19 2ba1 s VAL 180 N 7.71 3.56 -0.95 -0.36 1.01 -1.26 -3.65 120.40 126.46 2ba1 s VAL 180 Ca 0.76 -0.45 0.11 0.00 0.00 0.00 0.00 61.98 62.39 2ba1 s VAL 180 Cb -0.19 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 2ba1 s VAL 180 CO 0.29 0.45 0.64 -2.11 0.00 0.00 0.00 175.10 174.38 2ba1 n ARG 181 N 4.27 2.14 -4.17 2.72 1.85 0.45 -5.01 116.66 118.91 2ba1 n ARG 181 Ca -0.18 -0.58 -0.11 0.00 -1.00 0.00 0.00 57.85 55.97 2ba1 n ARG 181 Cb 0.52 -1.10 -0.10 0.00 -1.05 0.00 0.00 32.46 30.73 2ba1 n ARG 181 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2ba1 s ASP 182 N -1.47 0.16 -0.54 2.89 3.68 -1.24 -4.96 116.67 115.20 2ba1 s ASP 182 Ca 0.09 -1.32 0.04 0.00 2.13 0.00 0.00 52.55 53.48 2ba1 s ASP 182 Cb 0.09 0.38 0.16 0.00 -1.45 0.00 0.00 42.92 42.10 2ba1 s ASP 182 CO 0.28 -0.84 0.38 -0.22 0.13 0.00 0.00 175.17 174.91 2ba1 s LEU 183 N -3.13 3.07 0.15 -1.34 0.20 -1.26 -4.78 118.68 111.58 2ba1 s LEU 183 Ca 0.35 -3.31 -0.31 0.00 0.69 0.00 0.00 54.13 51.55 2ba1 s LEU 183 Cb 0.07 -1.05 -0.09 0.00 -0.43 0.00 0.00 46.19 44.69 2ba1 s LEU 183 CO 0.10 -0.15 1.42 -2.84 -0.29 0.00 0.00 176.35 174.59 2ba1 s PRO 184 N -0.51 4.30 0.01 0.98 0.02 -1.26 -4.19 135.00 134.35 2ba1 s PRO 184 Ca 0.27 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 2ba1 s PRO 184 Cb -0.05 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 2ba1 s PRO 184 CO -0.15 -0.45 -0.00 0.08 -0.33 0.00 0.00 177.00 176.15 2ba1 s VAL 185 N 0.90 0.06 -0.02 3.83 1.01 -0.74 -4.83 120.40 120.61 2ba1 s VAL 185 Ca 0.64 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.18 2ba1 s VAL 185 Cb -0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 2ba1 s VAL 185 CO 0.32 -0.26 -0.11 -0.94 0.00 0.00 0.00 175.10 174.12 2ba1 s SER 186 N -0.76 1.31 -0.20 3.32 1.04 -1.26 -0.55 113.70 116.59 2ba1 s SER 186 Ca -0.08 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 2ba1 s SER 186 Cb -0.05 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.83 2ba1 s SER 186 CO -0.00 0.12 -0.01 -0.69 0.98 0.00 0.00 173.24 173.63 2ba1 s VAL 187 N -0.11 3.87 -0.14 5.02 1.01 0.56 -4.72 120.40 125.89 2ba1 s VAL 187 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2ba1 s VAL 187 Cb -0.06 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2ba1 s VAL 187 CO -0.00 0.43 -0.09 -0.89 0.00 0.00 0.00 175.10 174.55 2ba1 s THR 188 N 1.03 3.43 0.05 3.92 2.01 -1.26 -0.99 115.64 123.82 2ba1 s THR 188 Ca 0.02 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.56 2ba1 s THR 188 Cb -0.14 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2ba1 s THR 188 CO 0.01 0.51 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.81 2ba1 s SER 189 N 0.34 2.49 -0.26 3.53 0.01 0.84 -1.38 113.70 119.26 2ba1 s SER 189 Ca -0.08 -0.53 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 2ba1 s SER 189 Cb -0.15 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 2ba1 s SER 189 CO 0.04 0.16 0.59 -0.22 0.41 0.00 0.00 173.24 174.22 2ba1 s LEU 190 N -1.22 4.06 -0.18 2.44 0.20 0.62 -0.17 118.68 124.43 2ba1 s LEU 190 Ca 0.07 0.62 -0.13 0.00 0.69 0.00 0.00 54.13 55.38 2ba1 s LEU 190 Cb -0.09 -2.78 -0.05 0.00 -0.43 0.00 0.00 46.19 42.85 2ba1 s LEU 190 CO 0.02 -0.34 0.28 -0.63 -0.29 0.00 0.00 176.35 175.39 2ba1 s ILE 191 N 2.44 5.30 -0.32 6.68 1.09 0.42 -0.43 121.20 136.38 2ba1 s ILE 191 Ca 0.24 0.50 -0.01 0.00 -1.10 0.00 0.00 60.65 60.28 2ba1 s ILE 191 Cb -0.16 -3.62 0.10 0.00 -1.06 0.00 0.00 42.46 37.73 2ba1 s ILE 191 CO 0.09 0.36 0.11 -0.69 -0.10 0.00 0.00 174.94 174.70 2ba1 s VAL 192 N 0.73 0.92 0.00 2.92 1.01 0.14 -4.68 120.40 121.44 2ba1 s VAL 192 Ca 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2ba1 s VAL 192 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2ba1 s VAL 192 CO 0.04 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2ba1 n GLY 193 N 4.75 2.85 0.74 4.51 0.00 -1.26 -2.11 105.19 114.67 2ba1 n GLY 193 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.79 2ba1 n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ba1 n ASN 194 N 9.01 3.27 -4.71 1.61 4.13 -1.26 -4.83 115.26 122.48 2ba1 n ASN 194 Ca 0.00 -2.35 -0.29 0.00 1.68 0.00 0.00 54.58 53.62 2ba1 n ASN 194 Cb 0.00 -0.34 -0.07 0.00 -1.54 0.00 0.00 39.78 37.83 2ba1 n ASN 194 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2ba1 s LYS 195 N -1.62 2.63 0.12 3.52 3.01 -0.90 -4.90 119.74 121.59 2ba1 s LYS 195 Ca 0.30 -0.86 0.08 0.00 -1.01 0.00 0.00 55.97 54.48 2ba1 s LYS 195 Cb 0.20 -2.56 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 2ba1 s LYS 195 CO 0.13 0.52 -0.20 1.52 0.51 0.00 0.00 175.35 177.84 2ba1 s TYR 196 N -1.44 1.79 -0.20 3.18 -0.85 -1.26 -0.68 117.35 117.88 2ba1 s TYR 196 Ca 0.27 -0.43 -0.02 0.00 -0.52 0.00 0.00 57.07 56.37 2ba1 s TYR 196 Cb -0.11 -0.96 0.06 0.00 0.38 0.00 0.00 41.96 41.33 2ba1 s TYR 196 CO 0.20 0.23 0.02 -0.51 -1.52 0.00 0.00 175.55 173.97 2ba1 s LEU 197 N -2.09 1.39 0.39 -3.49 1.02 0.43 -4.86 118.68 111.46 2ba1 s LEU 197 Ca 0.09 -0.88 -0.25 0.00 0.02 0.00 0.00 54.13 53.11 2ba1 s LEU 197 Cb -0.09 -0.68 -0.09 0.00 0.02 0.00 0.00 46.19 45.35 2ba1 s LEU 197 CO 0.05 -0.30 1.08 -0.69 0.02 0.00 0.00 176.35 176.51 2ba1 s VAL 198 N 1.79 3.56 -0.94 -1.59 1.01 -0.53 -0.28 120.40 123.43 2ba1 s VAL 198 Ca -0.02 1.26 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 2ba1 s VAL 198 Cb -0.17 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2ba1 s VAL 198 CO -0.08 0.07 0.72 -0.67 0.00 0.00 0.00 175.10 175.14 2ba1 n ASP 199 N 0.10 -5.97 -4.77 3.32 4.64 -0.48 -4.70 116.55 108.68 2ba1 n ASP 199 Ca 0.04 -0.72 -0.41 0.00 -1.38 0.00 0.00 54.79 52.32 2ba1 n ASP 199 Cb 0.48 -3.55 -0.02 0.00 -1.04 0.00 0.00 41.12 36.99 2ba1 n ASP 199 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ba1 s PRO 200 N -4.79 4.30 0.64 -0.67 0.04 -1.26 -4.83 135.00 128.42 2ba1 s PRO 200 Ca 0.22 2.30 -0.06 0.00 0.04 0.00 0.00 61.00 63.49 2ba1 s PRO 200 Cb -0.07 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.44 2ba1 s PRO 200 CO 0.83 -0.28 0.94 -1.54 0.04 0.00 0.00 177.00 177.00 2ba1 s SER 201 N -0.34 5.26 0.27 6.66 1.04 -1.26 -3.44 113.70 121.89 2ba1 s SER 201 Ca 0.51 0.58 -0.01 0.00 0.48 0.00 0.00 55.95 57.51 2ba1 s SER 201 Cb -0.41 -1.43 0.49 0.00 0.10 0.00 0.00 66.02 64.77 2ba1 s SER 201 CO 0.54 -1.28 1.83 -0.09 0.98 0.00 0.00 173.24 175.22 2ba1 h ARG 202 N -0.34 0.94 -0.37 4.02 9.65 0.59 -1.78 114.38 127.08 2ba1 h ARG 202 Ca -0.45 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2ba1 h ARG 202 Cb 1.28 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2ba1 h ARG 202 CO 0.60 0.62 0.23 0.93 2.80 0.00 0.00 179.97 185.16 2ba1 h GLU 203 N 0.97 0.50 0.00 0.20 5.08 -1.93 -2.32 114.58 117.07 2ba1 h GLU 203 Ca 0.46 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.75 2ba1 h GLU 203 Cb 0.41 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2ba1 h GLU 203 CO -0.25 0.35 -0.17 0.93 -1.00 0.00 0.00 179.01 178.88 2ba1 h GLU 204 N 0.49 0.00 0.00 2.33 5.08 -1.72 -2.04 114.58 118.72 2ba1 h GLU 204 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2ba1 h GLU 204 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ba1 h GLU 204 CO -0.03 0.17 0.00 -1.33 -1.00 0.00 0.00 179.01 176.82 2ba1 n MET 205 N -4.21 0.15 0.01 2.33 2.81 -0.76 -2.40 117.12 115.05 2ba1 n MET 205 Ca -0.02 0.47 0.01 0.00 -1.81 0.00 0.00 57.70 56.35 2ba1 n MET 205 Cb 0.24 -1.85 0.05 0.00 -0.71 0.00 0.00 33.22 30.95 2ba1 n MET 205 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2ba1 n SER 206 N -2.15 0.02 0.09 7.83 3.41 -0.77 -1.26 113.62 120.80 2ba1 n SER 206 Ca 0.01 0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 59.02 2ba1 n SER 206 Cb 0.16 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 2ba1 n SER 206 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ba1 h VAL 207 N 0.00 1.54 0.00 -3.33 2.07 -1.71 -3.41 116.25 111.41 2ba1 h VAL 207 Ca 0.00 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.57 2ba1 h VAL 207 Cb 0.02 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2ba1 h VAL 207 CO 0.00 0.86 0.00 0.61 0.02 0.00 0.00 177.57 179.06 2ba1 n GLY 208 N 1.22 1.98 2.76 2.17 0.00 -0.39 -5.00 105.19 107.93 2ba1 n GLY 208 Ca -0.05 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 2ba1 n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ba1 n ASP 209 N 0.00 6.72 -4.29 1.61 10.43 -1.26 -4.75 116.55 125.00 2ba1 n ASP 209 Ca 0.00 -3.74 -0.42 0.00 2.57 0.00 0.00 54.79 53.20 2ba1 n ASP 209 Cb 0.00 -0.97 -0.09 0.00 1.84 0.00 0.00 41.12 41.90 2ba1 n ASP 209 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2ba1 s THR 210 N -4.75 4.53 0.16 -3.53 -4.23 -1.26 -3.73 115.64 102.83 2ba1 s THR 210 Ca 0.46 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 2ba1 s THR 210 Cb 0.31 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 2ba1 s THR 210 CO -0.24 -0.59 0.04 0.42 -0.54 0.00 0.00 174.62 173.71 2ba1 s THR 211 N 1.48 0.37 -0.01 3.99 -4.23 0.04 -0.43 115.64 116.84 2ba1 s THR 211 Ca 0.04 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 2ba1 s THR 211 Cb -0.24 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.46 2ba1 s THR 211 CO 0.03 -0.43 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.33 2ba1 s LEU 212 N -3.12 2.03 -0.07 4.79 1.98 0.76 -0.81 118.68 124.23 2ba1 s LEU 212 Ca 0.25 -0.25 -0.00 0.00 -2.89 0.00 0.00 54.13 51.24 2ba1 s LEU 212 Cb 0.07 -0.69 0.02 0.00 0.66 0.00 0.00 46.19 46.26 2ba1 s LEU 212 CO 0.04 0.16 -0.04 -0.89 -1.89 0.00 0.00 176.35 173.73 2ba1 s THR 213 N -0.33 0.64 -0.08 3.68 2.01 0.30 -0.11 115.64 121.74 2ba1 s THR 213 Ca 0.05 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2ba1 s THR 213 Cb -0.05 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 2ba1 s THR 213 CO -0.00 0.28 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.34 2ba1 s ILE 214 N 1.53 2.13 -0.15 1.82 1.01 -0.16 -0.39 121.20 126.98 2ba1 s ILE 214 Ca -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2ba1 s ILE 214 Cb -0.13 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2ba1 s ILE 214 CO -0.04 0.56 -0.17 -0.89 0.00 0.00 0.00 174.94 174.40 2ba1 s THR 215 N 0.12 2.49 0.16 2.92 2.01 0.22 -0.32 115.64 123.23 2ba1 s THR 215 Ca -0.12 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.13 2ba1 s THR 215 Cb -0.16 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2ba1 s THR 215 CO 0.07 0.52 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.57 2ba1 s THR 216 N 0.86 3.47 0.32 -0.82 2.01 0.28 0.12 115.64 121.88 2ba1 s THR 216 Ca -0.05 -1.46 0.05 0.00 0.31 0.00 0.00 61.69 60.54 2ba1 s THR 216 Cb -0.15 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.70 2ba1 s THR 216 CO -0.01 -0.05 0.38 -0.90 -0.69 0.00 0.00 174.62 173.34 2ba1 n ASP 217 N 0.14 1.41 -0.30 3.53 5.75 -0.85 -1.78 116.55 124.44 2ba1 n ASP 217 Ca -0.11 -1.91 -0.09 0.00 -0.01 0.00 0.00 54.79 52.67 2ba1 n ASP 217 Cb 0.54 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.40 2ba1 n ASP 217 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 2ba1 h LYS 218 N 0.00 -0.13 0.00 0.11 1.57 -1.92 -1.09 116.57 115.11 2ba1 h LYS 218 Ca -0.16 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2ba1 h LYS 218 Cb 0.69 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2ba1 h LYS 218 CO 0.24 -0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.78 2ba1 n ASP 219 N -5.35 0.00 -0.30 0.86 8.00 -1.26 -4.86 116.55 113.64 2ba1 n ASP 219 Ca 0.02 -1.35 -0.04 0.00 0.71 0.00 0.00 54.79 54.13 2ba1 n ASP 219 Cb 0.32 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2ba1 n ASP 219 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ba1 n ASP 220 N -0.59 -3.64 -4.75 -2.24 9.92 -0.41 -5.02 116.55 109.82 2ba1 n ASP 220 Ca 0.03 0.10 -0.40 0.00 -0.53 0.00 0.00 54.79 53.99 2ba1 n ASP 220 Cb 0.01 -1.48 -0.06 0.00 -0.64 0.00 0.00 41.12 38.95 2ba1 n ASP 220 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 2ba1 s ASN 221 N -2.72 7.62 0.04 -2.24 -0.87 -1.26 -4.80 114.94 110.70 2ba1 s ASN 221 Ca 0.00 1.98 -0.30 0.00 -1.57 0.00 0.00 52.86 52.96 2ba1 s ASN 221 Cb 0.00 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.57 2ba1 s ASN 221 CO 0.00 0.13 1.17 -0.69 -2.57 0.00 0.00 177.10 175.15 2ba1 s VAL 222 N -1.18 4.16 -0.02 1.60 1.01 -1.26 -2.01 120.40 122.70 2ba1 s VAL 222 Ca 0.41 1.55 0.12 0.00 0.00 0.00 0.00 61.98 64.06 2ba1 s VAL 222 Cb -0.27 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 31.94 2ba1 s VAL 222 CO 0.33 0.10 0.25 0.55 0.00 0.00 0.00 175.10 176.33 2ba1 n VAL 223 N 4.02 0.03 -3.63 2.92 3.14 0.33 -4.95 118.33 120.19 2ba1 n VAL 223 Ca 0.09 -0.27 -0.10 0.00 -2.96 0.00 0.00 64.34 61.10 2ba1 n VAL 223 Cb 0.47 0.20 -0.07 0.00 -1.06 0.00 0.00 33.84 33.38 2ba1 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ba1 s ALA 224 N -2.78 -1.96 0.02 1.55 0.00 -1.04 -4.78 121.76 112.77 2ba1 s ALA 224 Ca -0.04 1.86 0.01 0.00 0.00 0.00 0.00 51.96 53.79 2ba1 s ALA 224 Cb 0.07 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 2ba1 s ALA 224 CO 0.48 -0.25 -0.05 -1.64 0.00 0.00 0.00 175.76 174.31 2ba1 s MET 225 N 0.13 0.37 -0.22 0.00 -1.94 -1.26 0.69 119.30 117.07 2ba1 s MET 225 Ca 0.03 -0.58 -0.07 0.00 -1.71 0.00 0.00 55.69 53.35 2ba1 s MET 225 Cb -0.05 -0.08 0.10 0.00 2.01 0.00 0.00 34.83 36.82 2ba1 s MET 225 CO -0.05 0.00 0.47 -1.14 -0.01 0.00 0.00 175.02 174.29 2ba1 s GLN 226 N -1.29 0.38 -0.18 2.03 2.00 0.48 -4.99 119.66 118.09 2ba1 s GLN 226 Ca -0.11 1.12 -0.07 0.00 -2.00 0.00 0.00 55.36 54.29 2ba1 s GLN 226 Cb -0.09 0.44 -0.04 0.00 0.80 0.00 0.00 33.01 34.13 2ba1 s GLN 226 CO -0.00 -0.25 0.06 -1.59 -0.50 0.00 0.00 175.29 173.01 2ba1 s LYS 227 N 2.67 3.97 0.00 1.67 0.00 -1.26 -0.54 119.74 126.25 2ba1 s LYS 227 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 55.97 55.63 2ba1 s LYS 227 Cb -0.12 -3.21 -0.01 0.00 0.00 0.00 0.00 37.83 34.49 2ba1 s LYS 227 CO -0.14 0.27 -0.10 -1.12 0.00 0.00 0.00 175.35 174.26 2ba1 s SER 228 N 0.37 1.17 0.00 0.03 0.01 0.01 -5.01 113.70 110.28 2ba1 s SER 228 Ca 0.03 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2ba1 s SER 228 Cb -0.12 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2ba1 s SER 228 CO 0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2ba1 n GLY 229 N 2.60 2.71 3.16 3.44 0.00 -1.24 -0.78 105.19 115.08 2ba1 n GLY 229 Ca -0.15 -2.02 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2ba1 n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ba1 n GLY 230 N -0.23 4.05 3.20 -0.02 0.00 -1.26 -4.91 105.19 106.03 2ba1 n GLY 230 Ca 0.00 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 2ba1 n GLY 230 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ba1 s TYR 231 N 1.10 0.29 -0.21 1.61 -0.85 -1.26 -5.03 117.35 113.00 2ba1 s TYR 231 Ca 0.42 -0.73 -0.09 0.00 -0.52 0.00 0.00 57.07 56.14 2ba1 s TYR 231 Cb 0.04 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 2ba1 s TYR 231 CO 0.00 -0.54 0.12 -0.51 -1.52 0.00 0.00 175.55 173.10 2ba1 s LEU 232 N -2.90 4.08 -0.33 -3.49 1.43 -1.26 -5.07 118.68 111.14 2ba1 s LEU 232 Ca 0.08 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 2ba1 s LEU 232 Cb 0.05 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2ba1 s LEU 232 CO -0.08 0.15 0.48 -0.22 0.23 0.00 0.00 176.35 176.90 2ba1 s LEU 233 N 0.55 4.27 0.00 1.79 0.20 -1.26 -5.00 118.68 119.24 2ba1 s LEU 233 Ca 0.07 0.07 -0.30 0.00 0.69 0.00 0.00 54.13 54.66 2ba1 s LEU 233 Cb -0.12 -2.55 -0.07 0.00 -0.43 0.00 0.00 46.19 43.02 2ba1 s LEU 233 CO 0.00 -0.40 1.64 -0.62 -0.29 0.00 0.00 176.35 176.68 2ba1 s ASP 234 N 1.71 6.65 0.52 3.68 -1.08 -1.26 -4.88 116.67 122.00 2ba1 s ASP 234 Ca 0.18 2.33 0.18 0.00 -0.52 0.00 0.00 52.55 54.72 2ba1 s ASP 234 Cb -0.16 -2.55 1.28 0.00 -1.46 0.00 0.00 42.92 40.04 2ba1 s ASP 234 CO 0.12 -0.89 2.11 -0.08 0.52 0.00 0.00 175.17 176.94 2ba1 h GLU 235 N 8.96 0.03 0.29 4.34 4.81 -1.99 -1.57 114.58 129.45 2ba1 h GLU 235 Ca -0.41 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2ba1 h GLU 235 Cb 1.19 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2ba1 h GLU 235 CO 0.94 0.02 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.88 2ba1 h LYS 236 N 0.03 -0.38 -0.58 1.92 3.64 -2.01 -2.42 116.57 116.78 2ba1 h LYS 236 Ca 0.07 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2ba1 h LYS 236 Cb 0.25 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2ba1 h LYS 236 CO -0.00 -0.21 0.22 1.25 -2.27 0.00 0.00 179.45 178.43 2ba1 h LEU 237 N -0.44 0.77 -0.99 5.20 6.46 -1.79 -2.49 115.31 122.04 2ba1 h LEU 237 Ca -0.04 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 2ba1 h LEU 237 Cb 0.34 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 2ba1 h LEU 237 CO 0.07 0.70 0.65 0.15 -0.62 0.00 0.00 178.44 179.38 2ba1 h PHE 238 N 0.83 1.22 -0.44 1.25 3.57 -1.08 0.14 116.94 122.43 2ba1 h PHE 238 Ca 0.20 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2ba1 h PHE 238 Cb 0.18 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2ba1 h PHE 238 CO 0.01 0.71 -0.00 -0.44 -2.23 0.00 0.00 178.31 176.36 2ba1 h ASP 239 N 1.27 0.76 -0.41 0.41 3.32 -0.99 0.26 116.42 121.03 2ba1 h ASP 239 Ca 0.39 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2ba1 h ASP 239 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2ba1 h ASP 239 CO -0.12 0.88 0.05 -0.08 -1.72 0.00 0.00 179.24 178.26 2ba1 h GLU 240 N 0.62 0.69 0.00 3.56 4.81 -1.20 -2.86 114.58 120.20 2ba1 h GLU 240 Ca 0.12 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2ba1 h GLU 240 Cb 0.50 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2ba1 h GLU 240 CO 0.02 0.75 -0.42 1.25 -0.73 0.00 0.00 179.01 179.88 2ba1 h LEU 241 N 0.54 0.00 -0.57 1.64 5.85 -0.57 -1.78 115.31 120.42 2ba1 h LEU 241 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2ba1 h LEU 241 Cb 0.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2ba1 h LEU 241 CO 0.01 0.42 0.19 0.25 -0.34 0.00 0.00 178.44 178.97 2ba1 h LEU 242 N 0.00 0.81 0.36 2.25 7.12 -0.28 -0.93 115.31 124.64 2ba1 h LEU 242 Ca -0.00 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.79 2ba1 h LEU 242 Cb 0.83 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2ba1 h LEU 242 CO 0.05 0.79 -0.17 0.44 -0.13 0.00 0.00 178.44 179.43 2ba1 h ASP 243 N 0.79 -0.41 -0.98 1.25 3.32 -1.28 -2.69 116.42 116.42 2ba1 h ASP 243 Ca 0.18 -0.15 0.17 0.00 0.02 0.00 0.00 57.03 57.26 2ba1 h ASP 243 Cb 0.26 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.83 2ba1 h ASP 243 CO -0.01 0.02 0.61 0.58 -1.72 0.00 0.00 179.24 178.72 2ba1 h VAL 244 N -0.94 0.77 -0.33 -1.35 2.07 -1.36 -2.18 116.25 112.92 2ba1 h VAL 244 Ca -0.05 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2ba1 h VAL 244 Cb 0.53 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2ba1 h VAL 244 CO 0.08 0.14 0.05 0.28 0.02 0.00 0.00 177.57 178.14 2ba1 h SER 245 N 0.75 0.53 -0.83 0.57 0.02 -1.15 0.11 113.55 113.54 2ba1 h SER 245 Ca 0.53 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2ba1 h SER 245 Cb 0.83 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2ba1 h SER 245 CO -0.30 0.66 0.48 0.40 -1.14 0.00 0.00 176.83 176.93 2ba1 h ILE 246 N 0.38 1.24 0.88 3.27 2.04 -1.11 -0.12 117.51 124.09 2ba1 h ILE 246 Ca 0.10 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2ba1 h ILE 246 Cb 0.35 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2ba1 h ILE 246 CO 0.01 0.26 -0.42 -1.13 0.00 0.00 0.00 178.15 176.86 2ba1 h ASN 247 N 1.17 -1.00 -1.04 1.72 -1.24 -1.08 -2.31 115.58 111.80 2ba1 h ASN 247 Ca 0.30 0.03 0.27 0.00 0.71 0.00 0.00 56.30 57.62 2ba1 h ASN 247 Cb -0.01 0.26 -0.12 0.00 0.73 0.00 0.00 38.32 39.19 2ba1 h ASN 247 CO -0.05 -0.67 0.64 0.00 -1.29 0.00 0.00 177.43 176.06 2ba1 h ALA 249 N 1.69 1.02 -0.24 0.00 0.00 -0.89 -2.34 119.26 118.51 2ba1 h ALA 249 Ca 0.65 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2ba1 h ALA 249 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2ba1 h ALA 249 CO -0.42 0.63 -0.07 -0.09 0.00 0.00 0.00 179.25 179.30 2ba1 h ARG 250 N 0.24 0.47 -0.26 0.00 2.43 -0.08 -1.24 114.38 115.93 2ba1 h ARG 250 Ca 0.02 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2ba1 h ARG 250 Cb 0.89 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2ba1 h ARG 250 CO 0.07 0.71 -0.09 0.87 -1.51 0.00 0.00 179.97 180.02 2ba1 h LYS 251 N 0.20 0.43 0.00 0.20 1.57 -1.33 -2.07 116.57 115.56 2ba1 h LYS 251 Ca 0.06 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2ba1 h LYS 251 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2ba1 h LYS 251 CO 0.03 0.52 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.78 2ba1 h LEU 252 N 0.40 0.00 -1.24 2.94 3.38 -1.29 -3.05 115.31 116.45 2ba1 h LEU 252 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2ba1 h LEU 252 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ba1 h LEU 252 CO 0.02 0.58 -0.33 -0.09 0.09 0.00 0.00 178.44 178.71 2ba1 h ARG 253 N 0.00 0.00 -0.07 1.13 2.43 -0.52 -1.92 114.38 115.43 2ba1 h ARG 253 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ba1 h ARG 253 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2ba1 h ARG 253 CO 0.08 0.33 0.00 -0.85 -1.51 0.00 0.00 179.97 178.01 2ba1 n GLU 254 N -3.74 1.23 0.04 0.20 0.28 -1.06 -2.57 120.64 115.02 2ba1 n GLU 254 Ca -0.01 -0.36 0.12 0.00 -0.16 0.00 0.00 57.16 56.76 2ba1 n GLU 254 Cb 0.42 -1.23 0.28 0.00 1.43 0.00 0.00 31.44 32.35 2ba1 n GLU 254 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ba1 n LYS 255 N -0.34 0.17 0.08 3.44 4.76 -0.72 -3.29 118.16 122.26 2ba1 n LYS 255 Ca 0.10 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2ba1 n LYS 255 Cb 0.12 -1.63 0.05 0.00 -1.84 0.00 0.00 35.03 31.74 2ba1 n LYS 255 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2ba1 n PHE 256 N -1.88 0.72 0.18 2.13 3.72 -1.06 -4.21 117.46 117.05 2ba1 n PHE 256 Ca 0.05 0.21 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 2ba1 n PHE 256 Cb 0.40 -0.78 -0.07 0.00 -0.94 0.00 0.00 39.48 38.09 2ba1 n PHE 256 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2ba1 h LYS 257 N 0.00 -0.47 -0.02 -1.08 1.63 -1.69 -3.54 116.57 111.41 2ba1 h LYS 257 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2ba1 h LYS 257 Cb 0.88 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2ba1 h LYS 257 CO 0.00 -0.15 0.00 0.39 -3.45 0.00 0.00 179.45 176.24