#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 0.00 0.03 0.13 -2.08 -3.17 132.00 126.90 2ba1 h PRO 2 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2ba1 h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ba1 h PRO 2 CO 0.00 0.31 -0.72 0.93 -0.23 0.00 0.00 178.00 178.29 2ba1 h GLU 3 N 0.00 0.00 0.00 0.86 3.07 -2.06 -3.33 114.58 113.12 2ba1 h GLU 3 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2ba1 h GLU 3 Cb 1.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2ba1 h GLU 3 CO 0.04 0.11 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.25 2ba1 h ASP 4 N 0.00 0.00 0.23 1.42 5.19 -1.98 -2.87 116.42 118.41 2ba1 h ASP 4 Ca -0.03 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2ba1 h ASP 4 Cb 1.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2ba1 h ASP 4 CO 0.02 0.07 -0.11 0.40 -3.12 0.00 0.00 179.24 176.50 2ba1 h ILE 5 N 0.00 0.83 -0.10 0.35 2.04 -1.71 0.65 117.51 119.58 2ba1 h ILE 5 Ca -0.00 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 2ba1 h ILE 5 Cb 0.19 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2ba1 h ILE 5 CO 0.01 0.09 -0.22 -0.07 0.00 0.00 0.00 178.15 177.95 2ba1 h LEU 6 N -0.50 0.17 -0.59 1.44 3.38 -1.77 -2.39 115.31 115.04 2ba1 h LEU 6 Ca -0.03 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2ba1 h LEU 6 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2ba1 h LEU 6 CO 0.05 0.40 -0.61 0.58 0.09 0.00 0.00 178.44 178.95 2ba1 h VAL 7 N 0.16 1.37 -0.27 1.22 2.07 -1.32 -1.06 116.25 118.43 2ba1 h VAL 7 Ca 0.03 -1.97 -0.18 0.00 0.82 0.00 0.00 66.70 65.40 2ba1 h VAL 7 Cb 0.49 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2ba1 h VAL 7 CO 0.03 0.59 -0.55 0.44 0.02 0.00 0.00 177.57 178.10 2ba1 h ASP 8 N 0.24 0.95 -0.30 0.57 3.45 -0.56 -0.52 116.42 120.25 2ba1 h ASP 8 Ca -0.01 -0.54 -0.05 0.00 0.43 0.00 0.00 57.03 56.86 2ba1 h ASP 8 Cb 1.13 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 2ba1 h ASP 8 CO 0.10 1.32 -0.00 0.40 -1.57 0.00 0.00 179.24 179.49 2ba1 h ILE 9 N 0.62 1.26 -0.21 0.35 1.08 -1.40 -1.12 117.51 118.08 2ba1 h ILE 9 Ca 0.01 -0.94 0.03 0.00 -0.39 0.00 0.00 64.86 63.57 2ba1 h ILE 9 Cb 1.16 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2ba1 h ILE 9 CO 0.12 0.30 0.14 0.50 -0.69 0.00 0.00 178.15 178.53 2ba1 h LYS 10 N 0.31 0.13 -0.38 2.37 1.63 -1.14 -1.00 116.57 118.49 2ba1 h LYS 10 Ca 0.08 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.76 2ba1 h LYS 10 Cb 0.43 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2ba1 h LYS 10 CO 0.02 0.09 -0.20 -0.09 -3.45 0.00 0.00 179.45 175.81 2ba1 h ARG 11 N 0.14 0.82 -0.28 1.90 2.43 -0.12 -1.77 114.38 117.49 2ba1 h ARG 11 Ca 0.09 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2ba1 h ARG 11 Cb 0.19 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2ba1 h ARG 11 CO -0.01 1.00 0.19 -0.44 -1.51 0.00 0.00 179.97 179.19 2ba1 h ASP 12 N 0.62 0.24 -0.06 -3.80 3.45 -0.02 -1.07 116.42 115.79 2ba1 h ASP 12 Ca 0.08 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 2ba1 h ASP 12 Cb 0.76 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 2ba1 h ASP 12 CO 0.06 0.17 -0.32 0.22 -1.57 0.00 0.00 179.24 177.80 2ba1 h TYR 13 N 0.29 0.44 -0.55 4.55 3.20 -1.08 -2.57 116.97 121.24 2ba1 h TYR 13 Ca 0.11 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 2ba1 h TYR 13 Cb 0.09 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2ba1 h TYR 13 CO -0.00 0.94 0.33 0.28 -1.64 0.00 0.00 178.16 178.07 2ba1 h VAL 14 N -0.19 1.17 -0.59 1.81 2.07 -0.67 -2.43 116.25 117.43 2ba1 h VAL 14 Ca -0.02 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 2ba1 h VAL 14 Cb 0.98 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2ba1 h VAL 14 CO 0.07 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 177.73 2ba1 h LEU 15 N 0.75 1.04 -0.64 2.57 3.38 -1.31 -1.99 115.31 119.10 2ba1 h LEU 15 Ca 0.20 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2ba1 h LEU 15 Cb -0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2ba1 h LEU 15 CO -0.04 1.11 0.39 -1.28 0.09 0.00 0.00 178.44 178.70 2ba1 h SER 16 N 0.95 0.61 0.92 -0.43 0.87 -1.12 -0.15 113.55 115.21 2ba1 h SER 16 Ca 0.16 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2ba1 h SER 16 Cb 0.59 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2ba1 h SER 16 CO 0.04 0.42 -0.42 0.11 -0.53 0.00 0.00 176.83 176.45 2ba1 h LYS 17 N 0.75 0.00 -0.06 2.24 1.79 -1.35 -2.89 116.57 117.04 2ba1 h LYS 17 Ca 0.27 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.59 2ba1 h LYS 17 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2ba1 h LYS 17 CO -0.13 0.42 -0.62 1.25 -1.08 0.00 0.00 179.45 179.29 2ba1 h LEU 18 N 0.00 0.26 -0.54 2.94 6.46 -0.55 1.26 115.31 125.14 2ba1 h LEU 18 Ca -0.00 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2ba1 h LEU 18 Cb 0.99 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 2ba1 h LEU 18 CO 0.05 0.81 0.29 0.03 -0.62 0.00 0.00 178.44 179.01 2ba1 h ARG 19 N 0.17 0.76 -0.70 1.25 3.08 -0.84 0.47 114.38 118.57 2ba1 h ARG 19 Ca -0.01 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ba1 h ARG 19 Cb 1.12 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2ba1 h ARG 19 CO 0.09 0.59 0.00 -0.25 -1.07 0.00 0.00 179.97 179.34 2ba1 n ASP 20 N -4.61 2.17 -3.72 7.04 8.00 -1.11 -4.89 116.55 119.43 2ba1 n ASP 20 Ca 0.03 -2.22 -0.31 0.00 0.71 0.00 0.00 54.79 53.00 2ba1 n ASP 20 Cb 0.09 -0.45 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 2ba1 n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ba1 n ASN 21 N 0.19 -4.71 -3.83 -2.24 4.13 0.16 -5.00 115.26 103.96 2ba1 n ASN 21 Ca 0.09 -1.02 -0.12 0.00 1.68 0.00 0.00 54.58 55.21 2ba1 n ASN 21 Cb 0.46 -3.33 -0.12 0.00 -1.54 0.00 0.00 39.78 35.25 2ba1 n ASN 21 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2ba1 s GLU 22 N -6.07 0.26 0.12 3.52 2.02 0.43 -4.97 118.70 114.01 2ba1 s GLU 22 Ca 0.42 0.06 -0.06 0.00 0.02 0.00 0.00 54.97 55.41 2ba1 s GLU 22 Cb -0.15 0.12 -0.06 0.00 0.10 0.00 0.00 34.13 34.14 2ba1 s GLU 22 CO 0.87 -0.04 0.38 1.03 0.02 0.00 0.00 175.26 177.51 2ba1 s ARG 23 N -0.29 3.65 0.27 1.61 0.52 -1.26 -2.88 118.95 120.58 2ba1 s ARG 23 Ca -0.04 -0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 2ba1 s ARG 23 Cb -0.03 -2.89 0.75 0.00 0.52 0.00 0.00 34.95 33.30 2ba1 s ARG 23 CO 0.01 0.50 1.32 -0.89 0.02 0.00 0.00 175.30 176.25 2ba1 n ILE 24 N 0.33 -0.35 -0.49 1.52 5.41 -1.26 -0.07 119.36 124.45 2ba1 n ILE 24 Ca -0.04 1.83 0.10 0.00 1.00 0.00 0.00 62.75 65.64 2ba1 n ILE 24 Cb 0.52 -2.73 0.33 0.00 -0.71 0.00 0.00 39.64 37.05 2ba1 n ILE 24 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2ba1 n ASP 25 N -5.15 4.27 0.00 4.38 5.68 -1.26 -4.95 116.55 119.52 2ba1 n ASP 25 Ca 0.22 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 2ba1 n ASP 25 Cb 0.74 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 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 1.29 2.78 3.25 6.12 0.00 0.90 -5.01 105.19 114.52 2ba1 n GLY 26 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 2ba1 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ba1 n ARG 27 N -2.00 -0.40 -3.34 1.61 1.74 -1.26 -4.77 116.66 108.25 2ba1 n ARG 27 Ca 0.00 -0.09 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 2ba1 n ARG 27 Cb 0.00 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2ba1 n ARG 27 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ba1 s GLY 28 N -1.64 2.43 0.23 -0.13 0.00 -1.26 -4.35 107.32 102.59 2ba1 s GLY 28 Ca 0.51 -0.13 0.09 0.00 0.00 0.00 0.00 44.72 45.19 2ba1 s GLY 28 CO 0.71 0.13 1.16 0.69 0.00 0.00 0.00 173.10 175.79 2ba1 n PHE 29 N 0.58 0.32 -1.88 1.90 3.01 -1.26 -1.10 117.46 119.03 2ba1 n PHE 29 Ca -0.04 0.17 0.05 0.00 1.01 0.00 0.00 57.45 58.64 2ba1 n PHE 29 Cb 0.52 -0.57 0.15 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.83 1.58 -4.14 4.37 5.75 -1.26 -1.14 116.55 119.88 2ba1 n ASP 30 Ca -0.01 -3.35 -0.33 0.00 -0.01 0.00 0.00 54.79 51.10 2ba1 n ASP 30 Cb 0.28 -0.46 -0.16 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.33 3.01 0.80 0.11 2.12 -0.25 -4.93 118.70 117.23 2ba1 s GLU 31 Ca 0.37 -0.83 -0.11 0.00 0.36 0.00 0.00 54.97 54.76 2ba1 s GLU 31 Cb 0.38 -2.56 0.07 0.00 0.26 0.00 0.00 34.13 32.28 2ba1 s GLU 31 CO -0.10 -0.17 1.09 -0.06 -0.54 0.00 0.00 175.26 175.49 2ba1 s PHE 32 N 1.19 2.71 0.41 5.30 0.40 -1.26 -4.71 117.98 122.03 2ba1 s PHE 32 Ca 0.02 1.26 -0.06 0.00 -0.60 0.00 0.00 56.93 57.55 2ba1 s PHE 32 Cb -0.14 -3.09 0.09 0.00 0.51 0.00 0.00 43.02 40.40 2ba1 s PHE 32 CO -0.10 -1.85 0.56 0.54 0.70 0.00 0.00 175.22 175.07 2ba1 n ARG 33 N -3.51 -0.41 -1.69 0.44 3.00 -1.26 -4.94 116.66 108.29 2ba1 n ARG 33 Ca 0.07 -0.97 -0.44 0.00 -0.01 0.00 0.00 57.85 56.50 2ba1 n ARG 33 Cb 0.55 -0.55 -0.04 0.00 0.00 0.00 0.00 32.46 32.43 2ba1 n ARG 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2ba1 n LYS 34 N -2.17 2.48 -4.00 5.56 4.01 -1.26 -4.65 118.16 118.13 2ba1 n LYS 34 Ca 0.07 0.90 -0.35 0.00 -0.51 0.00 0.00 58.31 58.42 2ba1 n LYS 34 Cb 0.26 -2.72 -0.14 0.00 -0.51 0.00 0.00 35.03 31.92 2ba1 n LYS 34 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ba1 s VAL 35 N 1.40 3.27 -0.09 -0.18 1.01 -1.26 -1.27 120.40 123.28 2ba1 s VAL 35 Ca 0.78 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2ba1 s VAL 35 Cb -0.59 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2ba1 s VAL 35 CO 0.36 0.44 -0.22 -0.70 0.00 0.00 0.00 175.10 174.98 2ba1 s GLU 36 N 1.35 2.78 -0.11 2.72 2.12 -0.12 -4.97 118.70 122.47 2ba1 s GLU 36 Ca 0.04 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.58 2ba1 s GLU 36 Cb -0.14 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.12 2ba1 s GLU 36 CO -0.03 0.18 -0.16 0.42 -0.54 0.00 0.00 175.26 175.13 2ba1 s ILE 37 N 0.32 1.59 -0.19 -3.70 1.01 -1.26 -1.22 121.20 117.75 2ba1 s ILE 37 Ca -0.16 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2ba1 s ILE 37 Cb -0.17 -1.44 0.05 0.00 0.01 0.00 0.00 42.46 40.90 2ba1 s ILE 37 CO 0.07 0.46 -0.05 -0.63 0.00 0.00 0.00 174.94 174.80 2ba1 s ILE 38 N 0.95 1.19 0.71 2.92 1.09 -0.65 -4.99 121.20 122.43 2ba1 s ILE 38 Ca -0.07 -0.80 -0.07 0.00 -1.10 0.00 0.00 60.65 58.61 2ba1 s ILE 38 Cb -0.15 -1.42 0.06 0.00 -1.06 0.00 0.00 42.46 39.89 2ba1 s ILE 38 CO -0.01 0.04 1.03 -2.16 -0.10 0.00 0.00 174.94 173.73 2ba1 s PRO 39 N 1.58 2.24 -1.53 2.79 0.04 -1.26 -1.52 135.00 137.32 2ba1 s PRO 39 Ca -0.01 -0.17 -0.14 0.00 0.04 0.00 0.00 61.00 60.72 2ba1 s PRO 39 Cb -0.16 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.32 2ba1 s PRO 39 CO -0.07 -1.24 0.93 0.09 0.04 0.00 0.00 177.00 176.75 2ba1 n ASN 40 N -2.95 -4.73 0.08 6.66 4.13 -0.87 -4.88 115.26 112.71 2ba1 n ASN 40 Ca 0.08 -0.75 -0.12 0.00 1.68 0.00 0.00 54.58 55.46 2ba1 n ASN 40 Cb 0.60 -3.78 -0.07 0.00 -1.54 0.00 0.00 39.78 34.99 2ba1 n ASN 40 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2ba1 h VAL 41 N -1.96 1.47 -3.58 2.41 2.07 -1.77 -3.41 116.25 111.47 2ba1 h VAL 41 Ca -0.57 -2.72 -0.67 0.00 0.82 0.00 0.00 66.70 63.55 2ba1 h VAL 41 Cb 1.37 2.61 -0.27 0.00 -1.52 0.00 0.00 31.29 33.48 2ba1 h VAL 41 CO 0.67 0.80 -0.65 -0.63 0.02 0.00 0.00 177.57 177.78 2ba1 s ILE 42 N -3.04 3.74 -0.05 4.57 1.09 -1.26 -5.04 121.20 121.20 2ba1 s ILE 42 Ca -0.04 -0.75 -0.16 0.00 -1.10 0.00 0.00 60.65 58.60 2ba1 s ILE 42 Cb 0.09 -2.92 -0.11 0.00 -1.06 0.00 0.00 42.46 38.46 2ba1 s ILE 42 CO 0.86 0.11 0.66 -0.33 -0.10 0.00 0.00 174.94 176.14 2ba1 h GLU 43 N 8.18 -0.33 0.00 2.79 4.39 -1.98 -3.31 114.58 124.33 2ba1 h GLU 43 Ca -0.32 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2ba1 h GLU 43 Cb 1.12 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2ba1 h GLU 43 CO 0.60 -0.05 0.21 1.63 -1.16 0.00 0.00 179.01 180.24 2ba1 n LYS 44 N -5.00 0.02 -3.05 2.33 5.02 -1.26 -4.56 118.16 111.66 2ba1 n LYS 44 Ca -0.06 0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 56.27 2ba1 n LYS 44 Cb 0.22 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.73 3.41 -1.09 7.82 0.00 -1.25 -4.96 121.76 122.96 2ba1 s ALA 45 Ca -0.00 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 51.99 2ba1 s ALA 45 Cb 0.01 -2.62 1.09 0.00 0.00 0.00 0.00 23.12 21.60 2ba1 s ALA 45 CO 0.02 0.16 1.80 -0.85 0.00 0.00 0.00 175.76 176.89 2ba1 n GLU 46 N -0.92 0.07 -3.62 0.00 0.00 -1.12 -4.80 120.64 110.25 2ba1 n GLU 46 Ca 0.02 0.07 -0.11 0.00 0.00 0.00 0.00 57.16 57.14 2ba1 n GLU 46 Cb 0.54 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.41 2ba1 n GLU 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2ba1 s GLY 47 N -2.91 -0.27 0.05 -1.84 0.00 -1.11 0.12 107.32 101.36 2ba1 s GLY 47 Ca 0.14 2.41 -0.27 0.00 0.00 0.00 0.00 44.72 47.01 2ba1 s GLY 47 CO 0.43 1.70 0.76 -1.35 0.00 0.00 0.00 173.10 174.65 2ba1 s SER 48 N 0.07 -0.46 -0.07 1.64 1.04 -1.25 -0.24 113.70 114.43 2ba1 s SER 48 Ca 0.01 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 2ba1 s SER 48 Cb -0.04 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.67 2ba1 s SER 48 CO -0.03 -0.75 0.93 0.00 0.98 0.00 0.00 173.24 174.37 2ba1 s ALA 49 N -3.18 -1.87 -0.01 5.32 0.00 -0.87 -2.04 121.76 119.11 2ba1 s ALA 49 Ca 0.02 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2ba1 s ALA 49 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 2ba1 s ALA 49 CO -0.09 -0.52 -0.14 -1.17 0.00 0.00 0.00 175.76 173.84 2ba1 s LEU 50 N -1.87 2.04 -0.02 0.00 2.96 -0.58 -0.51 118.68 120.69 2ba1 s LEU 50 Ca 0.02 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2ba1 s LEU 50 Cb -0.01 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.98 2ba1 s LEU 50 CO -0.04 0.16 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.32 2ba1 s VAL 51 N -0.36 1.11 -0.07 1.68 1.01 0.10 -1.63 120.40 122.23 2ba1 s VAL 51 Ca 0.05 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2ba1 s VAL 51 Cb -0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2ba1 s VAL 51 CO -0.00 0.32 -0.20 -0.54 0.00 0.00 0.00 175.10 174.68 2ba1 s LYS 52 N -0.18 2.76 -0.30 2.72 1.02 -0.35 -1.23 119.74 124.17 2ba1 s LYS 52 Ca 0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 2ba1 s LYS 52 Cb -0.07 -2.32 0.10 0.00 -0.52 0.00 0.00 37.83 35.02 2ba1 s LYS 52 CO 0.00 0.39 0.12 -1.17 -0.92 0.00 0.00 175.35 173.76 2ba1 s LEU 53 N -0.14 1.32 0.00 3.17 2.96 0.43 -0.94 118.68 125.47 2ba1 s LEU 53 Ca -0.03 -1.46 0.00 0.00 -0.22 0.00 0.00 54.13 52.42 2ba1 s LEU 53 Cb -0.14 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.97 2ba1 s LEU 53 CO 0.04 -0.43 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 2ba1 n GLY 54 N 5.06 2.65 0.65 7.98 0.00 -0.39 -0.38 105.19 120.76 2ba1 n GLY 54 Ca -0.04 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 4.84 1.96 -4.72 1.61 10.43 -1.26 -4.88 116.55 124.52 2ba1 n ASP 55 Ca 0.00 -1.75 -0.41 0.00 2.57 0.00 0.00 54.79 55.19 2ba1 n ASP 55 Cb 0.00 -0.12 -0.04 0.00 1.84 0.00 0.00 41.12 42.80 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 -1.76 4.70 -0.02 -3.53 2.01 0.49 -4.60 115.64 112.92 2ba1 s THR 56 Ca 0.33 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.36 2ba1 s THR 56 Cb 0.18 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2ba1 s THR 56 CO 0.27 0.26 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.21 2ba1 s GLN 57 N 0.42 1.36 -0.06 4.92 -0.21 -0.01 -0.43 119.66 125.65 2ba1 s GLN 57 Ca 0.47 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 55.24 2ba1 s GLN 57 Cb -0.22 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.55 2ba1 s GLN 57 CO 0.28 0.28 0.21 0.08 -2.12 0.00 0.00 175.29 174.02 2ba1 s VAL 58 N -0.18 0.02 0.01 1.09 1.01 -0.37 -1.61 120.40 120.38 2ba1 s VAL 58 Ca 0.02 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2ba1 s VAL 58 Cb -0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2ba1 s VAL 58 CO 0.00 -0.09 -0.18 -0.69 0.00 0.00 0.00 175.10 174.14 2ba1 s VAL 59 N -0.28 1.42 -0.06 2.92 1.01 -0.86 0.01 120.40 124.55 2ba1 s VAL 59 Ca -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2ba1 s VAL 59 Cb -0.03 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.15 2ba1 s VAL 59 CO 0.01 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 174.58 2ba1 s VAL 60 N -0.61 0.98 -0.07 2.92 1.01 0.33 -0.96 120.40 123.99 2ba1 s VAL 60 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2ba1 s VAL 60 Cb -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2ba1 s VAL 60 CO 0.00 0.32 -0.09 -0.83 0.00 0.00 0.00 175.10 174.50 2ba1 s GLY 61 N 0.69 1.65 -0.19 4.51 0.00 -0.53 -2.05 107.32 111.40 2ba1 s GLY 61 Ca -0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 2ba1 s GLY 61 CO 0.03 -0.67 -0.13 0.14 0.00 0.00 0.00 173.10 172.46 2ba1 s VAL 62 N -0.73 2.64 0.21 1.40 1.01 0.67 -1.63 120.40 123.97 2ba1 s VAL 62 Ca 0.11 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2ba1 s VAL 62 Cb -0.11 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2ba1 s VAL 62 CO 0.01 0.49 -0.05 -0.54 0.00 0.00 0.00 175.10 175.01 2ba1 s LYS 63 N 1.28 2.19 -0.10 2.72 -0.14 -0.46 -2.76 119.74 122.47 2ba1 s LYS 63 Ca 0.04 -1.29 -0.11 0.00 -1.36 0.00 0.00 55.97 53.25 2ba1 s LYS 63 Cb -0.14 -2.19 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 2ba1 s LYS 63 CO -0.07 0.42 0.29 -1.64 -0.76 0.00 0.00 175.35 173.59 2ba1 s MET 64 N -3.11 0.39 -0.14 1.68 -1.94 -1.26 -1.35 119.30 113.57 2ba1 s MET 64 Ca 0.27 0.32 -0.29 0.00 -1.71 0.00 0.00 55.69 54.28 2ba1 s MET 64 Cb -0.08 0.19 0.09 0.00 2.01 0.00 0.00 34.83 37.04 2ba1 s MET 64 CO 0.17 -0.06 0.82 1.14 -0.01 0.00 0.00 175.02 177.09 2ba1 s GLN 65 N -0.07 0.82 0.63 2.03 -2.07 -1.21 -4.89 119.66 114.90 2ba1 s GLN 65 Ca -0.02 0.38 -0.18 0.00 -1.82 0.00 0.00 55.36 53.71 2ba1 s GLN 65 Cb -0.03 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 2ba1 s GLN 65 CO 0.01 -0.22 1.24 -1.25 -1.32 0.00 0.00 175.29 173.75 2ba1 s PRO 66 N -0.76 2.73 0.25 9.60 0.04 -1.26 -1.95 135.00 143.64 2ba1 s PRO 66 Ca -0.05 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2ba1 s PRO 66 Cb -0.01 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2ba1 s PRO 66 CO 0.04 -1.42 0.97 0.20 0.04 0.00 0.00 177.00 176.84 2ba1 s GLY 67 N -1.57 0.22 -0.18 0.56 0.00 0.18 -4.82 107.32 101.71 2ba1 s GLY 67 Ca 0.79 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 2ba1 s GLY 67 CO 0.37 1.86 0.40 1.85 0.00 0.00 0.00 173.10 177.57 2ba1 s GLU 68 N -2.10 4.21 1.20 2.90 2.12 -1.25 0.85 118.70 126.62 2ba1 s GLU 68 Ca 0.21 0.23 -0.20 0.00 0.36 0.00 0.00 54.97 55.57 2ba1 s GLU 68 Cb -0.03 -3.51 0.29 0.00 0.26 0.00 0.00 34.13 31.14 2ba1 s GLU 68 CO 0.07 0.03 1.14 -1.25 -0.54 0.00 0.00 175.26 174.72 2ba1 s PRO 69 N 1.09 -1.19 0.04 4.30 0.04 -1.26 -4.97 135.00 133.06 2ba1 s PRO 69 Ca 0.20 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 2ba1 s PRO 69 Cb -0.15 -1.61 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2ba1 s PRO 69 CO 0.08 -3.67 1.22 0.71 0.04 0.00 0.00 177.00 175.38 2ba1 s TYR 70 N -3.14 3.36 0.60 0.56 4.12 -1.26 -4.89 117.35 116.69 2ba1 s TYR 70 Ca 0.72 1.24 0.28 0.00 0.02 0.00 0.00 57.07 59.34 2ba1 s TYR 70 Cb -0.08 -3.45 1.37 0.00 -1.52 0.00 0.00 41.96 38.29 2ba1 s TYR 70 CO 0.55 -1.41 1.78 -1.00 0.02 0.00 0.00 175.55 175.49 2ba1 h PRO 71 N 6.95 0.00 -0.18 -1.71 0.13 -1.99 0.47 132.00 135.68 2ba1 h PRO 71 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 2ba1 h PRO 71 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2ba1 h PRO 71 CO 0.83 0.00 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.90 2ba1 h ASP 72 N 0.00 0.54 -3.45 1.44 5.19 -2.04 -3.37 116.42 114.72 2ba1 h ASP 72 Ca 0.26 -0.52 -0.67 0.00 -0.62 0.00 0.00 57.03 55.48 2ba1 h ASP 72 Cb 1.50 -0.15 -0.38 0.00 0.18 0.00 0.00 39.33 40.48 2ba1 h ASP 72 CO -0.00 0.95 -0.31 0.42 -3.12 0.00 0.00 179.24 177.17 2ba1 s THR 73 N -4.17 3.70 0.62 0.35 -4.23 0.15 -4.93 115.64 107.13 2ba1 s THR 73 Ca -0.13 -3.84 0.33 0.00 -1.18 0.00 0.00 61.69 56.87 2ba1 s THR 73 Cb 0.06 -3.36 0.37 0.00 1.34 0.00 0.00 72.50 70.91 2ba1 s THR 73 CO 0.79 -1.01 2.17 1.55 -0.54 0.00 0.00 174.62 177.58 2ba1 h PRO 74 N 5.99 0.00 -2.62 3.99 0.13 -1.73 -3.31 132.00 134.46 2ba1 h PRO 74 Ca 0.11 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.64 2ba1 h PRO 74 Cb 0.82 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.53 2ba1 h PRO 74 CO 0.78 0.00 -0.61 -3.47 -0.23 0.00 0.00 178.00 174.47 2ba1 n ASP 75 N -3.54 3.20 -3.62 1.44 4.64 -1.26 -1.83 116.55 115.58 2ba1 n ASP 75 Ca -0.01 -3.29 -0.05 0.00 -1.38 0.00 0.00 54.79 50.07 2ba1 n ASP 75 Cb 0.23 -0.71 -0.05 0.00 -1.04 0.00 0.00 41.12 39.55 2ba1 n ASP 75 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2ba1 s ARG 76 N -1.90 0.23 1.01 -0.67 1.70 -1.24 -4.79 118.95 113.30 2ba1 s ARG 76 Ca 0.32 0.06 -0.13 0.00 -0.47 0.00 0.00 55.73 55.52 2ba1 s ARG 76 Cb 0.06 0.11 0.20 0.00 -0.57 0.00 0.00 34.95 34.74 2ba1 s ARG 76 CO -0.09 -0.07 1.11 0.20 -1.08 0.00 0.00 175.30 175.36 2ba1 s GLY 77 N -0.99 1.57 -0.08 3.88 0.00 0.23 -4.79 107.32 107.13 2ba1 s GLY 77 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2ba1 s GLY 77 CO -0.05 0.16 -0.18 0.14 0.00 0.00 0.00 173.10 173.17 2ba1 s VAL 78 N -3.04 1.57 -0.20 1.40 1.01 -0.64 -4.93 120.40 115.57 2ba1 s VAL 78 Ca 0.66 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2ba1 s VAL 78 Cb -0.17 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2ba1 s VAL 78 CO 0.57 0.45 -0.11 -0.63 0.00 0.00 0.00 175.10 175.38 2ba1 s ILE 79 N 0.44 1.66 -0.11 2.22 1.01 -1.26 0.15 121.20 125.30 2ba1 s ILE 79 Ca -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 2ba1 s ILE 79 Cb -0.16 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 2ba1 s ILE 79 CO 0.06 0.18 -0.04 -0.63 0.00 0.00 0.00 174.94 174.50 2ba1 s ILE 80 N 1.39 3.88 -0.12 2.92 -1.09 -0.31 -4.98 121.20 122.89 2ba1 s ILE 80 Ca -0.01 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 2ba1 s ILE 80 Cb -0.16 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2ba1 s ILE 80 CO -0.08 0.55 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.31 2ba1 s VAL 81 N -0.22 1.67 0.28 2.92 1.01 -1.26 -0.55 120.40 124.25 2ba1 s VAL 81 Ca 0.04 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2ba1 s VAL 81 Cb -0.13 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.68 2ba1 s VAL 81 CO 0.02 0.48 -0.05 0.20 0.00 0.00 0.00 175.10 175.75 2ba1 s ASN 82 N 1.01 2.74 -0.07 3.32 -0.87 0.38 -4.73 114.94 116.71 2ba1 s ASN 82 Ca -0.05 -1.21 -0.12 0.00 -1.57 0.00 0.00 52.86 49.91 2ba1 s ASN 82 Cb -0.15 -0.16 0.03 0.00 -0.02 0.00 0.00 41.25 40.95 2ba1 s ASN 82 CO -0.03 -0.37 0.30 0.00 -2.57 0.00 0.00 177.10 174.43 2ba1 s ALA 83 N -3.03 -0.75 -0.15 0.60 0.00 -1.26 0.20 121.76 117.37 2ba1 s ALA 83 Ca 0.30 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2ba1 s ALA 83 Cb 0.04 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2ba1 s ALA 83 CO 0.12 -0.19 -0.10 -1.21 0.00 0.00 0.00 175.76 174.38 2ba1 s GLU 84 N -0.44 1.93 -0.89 0.00 2.02 0.79 -4.88 118.70 117.23 2ba1 s GLU 84 Ca -0.06 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.40 2ba1 s GLU 84 Cb -0.04 -2.04 0.33 0.00 0.10 0.00 0.00 34.13 32.48 2ba1 s GLU 84 CO 0.02 -0.32 1.56 1.28 0.02 0.00 0.00 175.26 177.83 2ba1 n LEU 85 N 4.81 6.50 -3.36 1.80 4.32 -1.26 -2.47 117.00 127.34 2ba1 n LEU 85 Ca -0.15 -5.47 -0.01 0.00 -0.02 0.00 0.00 56.01 50.36 2ba1 n LEU 85 Cb 0.49 -0.98 -0.00 0.00 -1.62 0.00 0.00 43.42 41.31 2ba1 n LEU 85 CO 0.19 2.14 0.38 0.52 -1.22 0.00 0.00 177.39 179.40 2ba1 n VAL 86 N -0.13 0.00 0.00 4.08 0.31 -1.26 -5.03 118.33 116.30 2ba1 n VAL 86 Ca 0.42 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2ba1 n VAL 86 Cb 0.30 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 3.47 0.00 0.06 5.55 -0.02 -1.26 -5.15 135.00 137.65 2ba1 n PRO 98 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 2ba1 n PRO 98 Cb 0.02 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.52 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 0.44 0.06 2.55 -0.00 -1.98 -1.77 116.42 115.72 2ba1 h ASP 99 Ca 0.00 -0.30 0.01 0.00 -0.00 0.00 0.00 57.03 56.74 2ba1 h ASP 99 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 39.33 39.19 2ba1 h ASP 99 CO 0.00 1.05 -0.09 -0.08 -0.00 0.00 0.00 179.24 180.12 2ba1 h GLU 100 N 0.24 -0.18 -0.30 0.28 4.81 -2.04 -1.52 114.58 115.88 2ba1 h GLU 100 Ca -0.04 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2ba1 h GLU 100 Cb 1.34 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 2ba1 h GLU 100 CO 0.13 -0.12 -0.29 -0.91 -0.73 0.00 0.00 179.01 177.09 2ba1 h ASN 101 N -0.18 0.64 0.50 1.04 2.35 -2.00 -2.82 115.58 115.10 2ba1 h ASN 101 Ca 0.01 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 2ba1 h ASN 101 Cb 0.19 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2ba1 h ASN 101 CO -0.05 0.90 -0.21 -1.28 -1.65 0.00 0.00 177.43 175.14 2ba1 h SER 102 N 0.53 0.00 0.11 5.81 0.87 -1.06 -1.34 113.55 118.47 2ba1 h SER 102 Ca 0.07 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.41 2ba1 h SER 102 Cb 0.77 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.75 2ba1 h SER 102 CO 0.06 0.21 -0.91 0.40 -0.53 0.00 0.00 176.83 176.06 2ba1 h ILE 103 N 0.00 1.42 -0.60 2.23 2.04 -1.11 -3.00 117.51 118.49 2ba1 h ILE 103 Ca -0.00 -2.40 -0.01 0.00 1.00 0.00 0.00 64.86 63.45 2ba1 h ILE 103 Cb 0.52 2.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 2ba1 h ILE 103 CO 0.03 0.70 0.33 -0.08 0.00 0.00 0.00 178.15 179.13 2ba1 h GLU 104 N -0.10 0.83 -0.49 2.37 4.81 -1.24 0.16 114.58 120.91 2ba1 h GLU 104 Ca -0.14 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2ba1 h GLU 104 Cb 1.66 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 2ba1 h GLU 104 CO 0.17 0.63 0.22 1.25 -0.73 0.00 0.00 179.01 180.54 2ba1 h LEU 105 N 0.81 0.67 -0.22 1.64 6.46 -1.36 -0.27 115.31 123.04 2ba1 h LEU 105 Ca 0.21 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2ba1 h LEU 105 Cb 0.03 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2ba1 h LEU 105 CO -0.04 0.63 0.08 0.00 -0.62 0.00 0.00 178.44 178.50 2ba1 h ALA 106 N 1.06 0.29 -0.80 1.25 0.00 -1.33 -2.42 119.26 117.32 2ba1 h ALA 106 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ba1 h ALA 106 Cb 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2ba1 h ALA 106 CO -0.02 -0.09 0.53 0.00 0.00 0.00 0.00 179.25 179.67 2ba1 h ARG 107 N 0.20 1.04 0.66 0.00 3.08 -0.75 0.17 114.38 118.78 2ba1 h ARG 107 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2ba1 h ARG 107 Cb 0.21 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 30.03 2ba1 h ARG 107 CO -0.00 0.69 -0.32 0.28 -1.07 0.00 0.00 179.97 179.55 2ba1 h VAL 108 N 1.07 0.00 -0.84 2.04 2.07 -0.92 0.19 116.25 119.87 2ba1 h VAL 108 Ca 0.30 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 68.00 2ba1 h VAL 108 Cb -0.11 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.51 2ba1 h VAL 108 CO -0.07 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 178.07 2ba1 h VAL 109 N -0.90 0.22 0.04 2.57 2.07 -1.34 0.90 116.25 119.81 2ba1 h VAL 109 Ca -0.09 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2ba1 h VAL 109 Cb 0.68 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2ba1 h VAL 109 CO 0.15 0.01 -0.41 -0.78 0.02 0.00 0.00 177.57 176.56 2ba1 h ASP 110 N 0.06 -1.24 -0.95 0.57 3.58 -0.29 -2.37 116.42 115.78 2ba1 h ASP 110 Ca 0.46 0.15 0.14 0.00 0.42 0.00 0.00 57.03 58.20 2ba1 h ASP 110 Cb 0.84 0.48 -0.09 0.00 1.72 0.00 0.00 39.33 42.28 2ba1 h ASP 110 CO -0.77 -0.47 0.57 0.03 -2.88 0.00 0.00 179.24 175.72 2ba1 h ARG 111 N -0.60 0.80 -0.52 0.28 3.08 0.18 0.54 114.38 118.14 2ba1 h ARG 111 Ca 0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ba1 h ARG 111 Cb 0.66 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2ba1 h ARG 111 CO -0.29 0.53 0.33 0.78 -1.07 0.00 0.00 179.97 180.25 2ba1 h GLY 112 N 0.82 0.74 0.81 0.04 0.00 -0.80 0.32 103.07 104.99 2ba1 h GLY 112 Ca 0.51 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 2ba1 h GLY 112 CO -0.32 0.28 0.01 -2.22 0.00 0.00 0.00 176.54 174.29 2ba1 h ILE 113 N 0.70 1.25 -0.05 2.60 1.08 -0.75 -2.51 117.51 119.81 2ba1 h ILE 113 Ca 0.19 -0.82 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 2ba1 h ILE 113 Cb -0.05 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2ba1 h ILE 113 CO -0.04 0.25 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.51 2ba1 h ARG 114 N 0.06 0.14 -0.04 2.37 2.43 -0.75 -2.90 114.38 115.69 2ba1 h ARG 114 Ca 0.05 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2ba1 h ARG 114 Cb 0.36 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2ba1 h ARG 114 CO 0.01 0.62 -0.48 0.93 -1.51 0.00 0.00 179.97 179.53 2ba1 h GLU 115 N -0.33 0.10 0.00 0.20 4.39 -0.47 -2.49 114.58 115.98 2ba1 h GLU 115 Ca 0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2ba1 h GLU 115 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2ba1 h GLU 115 CO 0.02 0.57 0.00 -1.13 -1.16 0.00 0.00 179.01 177.30 2ba1 n SER 116 N -3.96 0.39 -3.59 1.42 3.41 -0.95 -4.91 113.62 105.44 2ba1 n SER 116 Ca -0.02 0.54 -0.25 0.00 -0.26 0.00 0.00 58.87 58.88 2ba1 n SER 116 Cb 0.51 -0.64 0.06 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.87 -7.08 0.22 4.33 1.02 -0.94 -4.82 120.64 111.50 2ba1 n GLU 117 Ca 0.06 0.79 0.15 0.00 -0.02 0.00 0.00 57.16 58.14 2ba1 n GLU 117 Cb 0.38 -5.79 0.75 0.00 -0.02 0.00 0.00 31.44 26.77 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 1.01 1.00 -3.36 0.62 0.00 -1.79 -3.39 119.26 113.36 2ba1 h ALA 118 Ca -0.56 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.77 2ba1 h ALA 118 Cb 1.37 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.78 2ba1 h ALA 118 CO 0.58 0.00 -0.80 0.08 0.00 0.00 0.00 179.25 179.12 2ba1 s VAL 119 N -3.68 1.26 -1.06 0.00 1.01 -1.26 -1.00 120.40 115.66 2ba1 s VAL 119 Ca -0.02 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 2ba1 s VAL 119 Cb 0.09 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.98 2ba1 s VAL 119 CO 0.33 0.13 1.96 -0.62 0.00 0.00 0.00 175.10 176.90 2ba1 s ASP 120 N 1.57 4.98 0.57 3.32 3.68 -1.26 -4.78 116.67 124.76 2ba1 s ASP 120 Ca 0.00 -1.21 0.25 0.00 2.13 0.00 0.00 52.55 53.72 2ba1 s ASP 120 Cb -0.16 -2.58 1.35 0.00 -1.45 0.00 0.00 42.92 40.09 2ba1 s ASP 120 CO -0.08 -3.03 1.73 -0.07 0.13 0.00 0.00 175.17 173.85 2ba1 h LEU 121 N 18.09 0.00 -0.72 -1.34 3.38 -1.93 0.19 115.31 132.98 2ba1 h LEU 121 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ba1 h LEU 121 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2ba1 h LEU 121 CO 1.21 0.00 0.00 0.77 0.09 0.00 0.00 178.44 180.51 2ba1 h SER 122 N 0.00 0.00 0.61 -0.43 4.64 -1.86 0.66 113.55 117.16 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 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2ba1 h SER 122 CO 0.00 0.00 -0.24 0.29 -0.87 0.00 0.00 176.83 176.01 2ba1 n LYS 123 N -2.96 0.20 -1.13 4.77 5.02 0.66 -3.91 118.16 120.81 2ba1 n LYS 123 Ca 0.02 -0.08 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 2ba1 n LYS 123 Cb 0.40 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.33 6.24 -4.85 -0.35 4.77 -1.13 -4.96 117.00 115.39 2ba1 n LEU 124 Ca 0.08 -3.55 -0.37 0.00 -0.03 0.00 0.00 56.01 52.14 2ba1 n LEU 124 Cb 0.32 -0.79 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2ba1 n LEU 124 CO 0.29 1.03 -0.09 -0.69 -1.33 0.00 0.00 177.39 176.60 2ba1 s VAL 125 N -3.23 5.37 0.00 4.08 1.01 -1.25 0.30 120.40 126.67 2ba1 s VAL 125 Ca 0.55 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.91 2ba1 s VAL 125 Cb 0.46 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2ba1 s VAL 125 CO 0.10 0.59 0.00 -0.38 0.00 0.00 0.00 175.10 175.41 2ba1 n ILE 126 N 2.11 0.00 -3.74 2.22 5.41 -0.97 -4.89 119.36 119.49 2ba1 n ILE 126 Ca -0.18 0.15 -0.34 0.00 1.00 0.00 0.00 62.75 63.38 2ba1 n ILE 126 Cb 0.54 -1.06 -0.09 0.00 -0.71 0.00 0.00 39.64 38.32 2ba1 n ILE 126 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2ba1 s GLU 127 N -0.42 2.80 -0.04 0.38 2.02 -0.90 -4.95 118.70 117.60 2ba1 s GLU 127 Ca 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 54.97 51.92 2ba1 s GLU 127 Cb 0.00 -3.73 -0.01 0.00 0.10 0.00 0.00 34.13 30.48 2ba1 s GLU 127 CO 0.00 -1.23 0.14 -1.91 0.02 0.00 0.00 175.26 172.28 2ba1 n GLU 128 N 2.64 0.00 0.00 1.61 2.13 -1.26 0.14 120.64 125.90 2ba1 n GLU 128 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2ba1 n GLU 128 Cb 0.36 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 31.97 2ba1 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ba1 n GLY 129 N 0.43 2.77 0.01 8.31 0.00 -0.76 -4.85 105.19 111.10 2ba1 n GLY 129 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 0.00 -3.70 1.61 4.07 0.37 -4.84 120.64 116.15 2ba1 n GLU 130 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 2ba1 n GLU 130 Cb 0.00 -0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.33 2ba1 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ba1 s LYS 131 N -0.02 3.58 -0.11 5.31 1.02 -1.04 -3.96 119.74 124.53 2ba1 s LYS 131 Ca 0.00 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 2ba1 s LYS 131 Cb 0.00 -2.87 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 2ba1 s LYS 131 CO 0.00 0.47 0.84 0.08 -0.92 0.00 0.00 175.35 175.82 2ba1 s VAL 132 N -1.68 0.00 -0.10 3.17 1.01 0.25 -2.12 120.40 120.93 2ba1 s VAL 132 Ca 0.40 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 2ba1 s VAL 132 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2ba1 s VAL 132 CO 0.26 0.00 1.41 0.26 0.00 0.00 0.00 175.10 177.03 2ba1 s TRP 133 N -1.13 2.58 -0.39 5.22 0.52 0.15 0.48 118.94 126.36 2ba1 s TRP 133 Ca -0.06 0.72 -0.13 0.00 0.02 0.00 0.00 56.10 56.64 2ba1 s TRP 133 Cb -0.00 -3.66 0.02 0.00 -1.15 0.00 0.00 33.47 28.68 2ba1 s TRP 133 CO 0.06 -2.52 0.25 0.42 0.02 0.00 0.00 176.95 175.18 2ba1 s ILE 134 N 3.42 4.92 -0.51 2.03 1.01 -0.82 -1.62 121.20 129.63 2ba1 s ILE 134 Ca 0.62 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 2ba1 s ILE 134 Cb -0.27 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.51 2ba1 s ILE 134 CO 0.22 -0.26 0.73 -0.69 0.00 0.00 0.00 174.94 174.94 2ba1 s VAL 135 N 1.62 4.71 -0.04 2.92 1.01 0.41 -3.34 120.40 127.68 2ba1 s VAL 135 Ca 0.04 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 2ba1 s VAL 135 Cb -0.19 -4.37 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 2ba1 s VAL 135 CO 0.08 -0.89 0.57 -0.36 0.00 0.00 0.00 175.10 174.51 2ba1 s PHE 136 N 3.08 3.62 -0.31 5.22 0.40 -0.46 -1.16 117.98 128.38 2ba1 s PHE 136 Ca 0.21 1.12 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 2ba1 s PHE 136 Cb -0.17 -2.61 0.09 0.00 0.51 0.00 0.00 43.02 40.84 2ba1 s PHE 136 CO 0.15 0.28 0.05 0.08 0.70 0.00 0.00 175.22 176.47 2ba1 s VAL 137 N 0.14 1.54 -0.18 -0.44 1.01 0.29 -1.35 120.40 121.40 2ba1 s VAL 137 Ca 0.30 -1.73 -0.07 0.00 0.00 0.00 0.00 61.98 60.49 2ba1 s VAL 137 Cb -0.17 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2ba1 s VAL 137 CO 0.15 -0.54 0.05 -1.81 0.00 0.00 0.00 175.10 172.96 2ba1 s ASP 138 N 1.30 5.53 -0.26 3.32 1.11 -0.65 -0.47 116.67 126.55 2ba1 s ASP 138 Ca 0.07 0.05 -0.11 0.00 0.18 0.00 0.00 52.55 52.75 2ba1 s ASP 138 Cb -0.18 -1.94 -0.05 0.00 1.07 0.00 0.00 42.92 41.81 2ba1 s ASP 138 CO -0.15 0.17 0.18 -0.63 1.18 0.00 0.00 175.17 175.92 2ba1 s ILE 139 N 0.40 5.33 -0.29 0.77 1.01 0.13 -1.45 121.20 127.10 2ba1 s ILE 139 Ca 0.02 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2ba1 s ILE 139 Cb -0.13 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 38.90 2ba1 s ILE 139 CO 0.01 0.29 -0.05 -2.28 0.00 0.00 0.00 174.94 172.90 2ba1 s HIS 140 N 1.50 3.47 0.12 3.97 2.46 -0.14 -0.15 115.29 126.51 2ba1 s HIS 140 Ca 0.07 -2.60 -0.31 0.00 0.47 0.00 0.00 55.06 52.70 2ba1 s HIS 140 Cb -0.15 -2.33 -0.08 0.00 -0.13 0.00 0.00 32.58 29.89 2ba1 s HIS 140 CO 0.09 -0.91 1.39 0.00 -2.47 0.00 0.00 174.74 172.84 2ba1 s ALA 141 N 1.02 3.59 -0.20 1.58 0.00 -1.03 -2.04 121.76 124.68 2ba1 s ALA 141 Ca -0.01 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2ba1 s ALA 141 Cb -0.20 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.26 2ba1 s ALA 141 CO -0.06 -0.61 -0.17 1.28 0.00 0.00 0.00 175.76 176.19 2ba1 n LEU 142 N 3.91 2.94 -3.65 0.00 4.77 -0.63 -4.64 117.00 119.71 2ba1 n LEU 142 Ca 0.11 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2ba1 n LEU 142 Cb 0.42 -0.69 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 2ba1 n LEU 142 CO 0.59 0.83 -0.13 -0.62 -1.33 0.00 0.00 177.39 176.73 2ba1 s ASP 143 N -5.93 0.36 -0.54 -1.43 3.68 -0.86 -4.94 116.67 107.01 2ba1 s ASP 143 Ca -0.27 0.58 -0.18 0.00 2.13 0.00 0.00 52.55 54.81 2ba1 s ASP 143 Cb 0.07 0.73 0.09 0.00 -1.45 0.00 0.00 42.92 42.35 2ba1 s ASP 143 CO 0.47 -0.24 0.60 -0.62 0.13 0.00 0.00 175.17 175.50 2ba1 s ASP 144 N 2.43 6.19 -0.20 -0.34 3.68 -1.26 -0.83 116.67 126.33 2ba1 s ASP 144 Ca 0.01 -1.31 0.12 0.00 2.13 0.00 0.00 52.55 53.51 2ba1 s ASP 144 Cb -0.12 -2.27 0.42 0.00 -1.45 0.00 0.00 42.92 39.51 2ba1 s ASP 144 CO -0.09 -0.93 1.22 -0.67 0.13 0.00 0.00 175.17 174.82 2ba1 n ASP 145 N 5.94 1.83 0.00 -0.34 4.64 -1.26 -4.93 116.55 122.43 2ba1 n ASP 145 Ca -0.10 -3.78 0.00 0.00 -1.38 0.00 0.00 54.79 49.53 2ba1 n ASP 145 Cb 0.43 -0.51 0.00 0.00 -1.04 0.00 0.00 41.12 40.01 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 -1.00 1.50 3.45 0.27 0.00 -1.26 -0.29 105.19 107.86 2ba1 n GLY 146 Ca 0.19 -1.53 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.13 -3.56 0.28 1.61 4.05 -1.24 -4.72 115.26 111.55 2ba1 n ASN 147 Ca 0.00 -0.72 0.17 0.00 0.45 0.00 0.00 54.58 54.48 2ba1 n ASN 147 Cb 0.00 -4.79 0.78 0.00 1.23 0.00 0.00 39.78 37.01 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 -1.64 0.00 0.30 1.20 3.38 -1.94 -3.16 115.31 113.45 2ba1 h LEU 148 Ca -0.61 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2ba1 h LEU 148 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2ba1 h LEU 148 CO 0.49 0.04 -0.14 0.25 0.09 0.00 0.00 178.44 179.17 2ba1 h LEU 149 N 0.00 -0.34 -1.22 1.67 5.85 -1.96 0.33 115.31 119.64 2ba1 h LEU 149 Ca -0.00 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.89 2ba1 h LEU 149 Cb 0.40 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.44 2ba1 h LEU 149 CO 0.01 -0.24 0.60 0.44 -0.34 0.00 0.00 178.44 178.90 2ba1 h ASP 150 N -0.40 0.69 -0.48 1.25 3.45 -1.84 0.43 116.42 119.52 2ba1 h ASP 150 Ca -0.04 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 2ba1 h ASP 150 Cb 0.31 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.98 2ba1 h ASP 150 CO 0.07 0.32 0.21 0.00 -1.57 0.00 0.00 179.24 178.26 2ba1 h ALA 151 N 1.60 0.62 0.00 3.45 0.00 -1.49 0.10 119.26 123.55 2ba1 h ALA 151 Ca 0.49 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2ba1 h ALA 151 Cb 0.80 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2ba1 h ALA 151 CO -0.25 0.21 -0.53 0.77 0.00 0.00 0.00 179.25 179.45 2ba1 h SER 152 N 0.63 0.00 -0.06 0.00 0.02 0.22 0.20 113.55 114.55 2ba1 h SER 152 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2ba1 h SER 152 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2ba1 h SER 152 CO -0.02 0.53 -0.12 0.00 -1.14 0.00 0.00 176.83 176.08 2ba1 h ALA 153 N 1.47 0.10 0.75 3.77 0.00 0.10 0.12 119.26 125.56 2ba1 h ALA 153 Ca -0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2ba1 h ALA 153 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ba1 h ALA 153 CO 0.07 -0.02 -0.39 -0.07 0.00 0.00 0.00 179.25 178.84 2ba1 h LEU 154 N -0.29 -0.95 -0.42 0.00 4.07 -0.70 -1.00 115.31 116.02 2ba1 h LEU 154 Ca 0.00 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.09 2ba1 h LEU 154 Cb 0.70 0.26 -0.08 0.00 1.08 0.00 0.00 40.66 42.62 2ba1 h LEU 154 CO 0.03 -0.64 -0.06 0.00 -1.08 0.00 0.00 178.44 176.69 2ba1 h ALA 155 N -0.81 0.33 -0.34 1.53 0.00 -0.65 0.13 119.26 119.45 2ba1 h ALA 155 Ca -0.10 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2ba1 h ALA 155 Cb 0.82 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2ba1 h ALA 155 CO 0.14 -0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.11 2ba1 h ALA 156 N 1.40 0.40 -0.42 0.00 0.00 -0.64 0.36 119.26 120.36 2ba1 h ALA 156 Ca 0.21 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2ba1 h ALA 156 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ba1 h ALA 156 CO -0.40 -0.25 -0.04 0.97 0.00 0.00 0.00 179.25 179.54 2ba1 h ILE 157 N 0.30 1.27 -0.30 0.00 6.09 -0.62 -1.81 117.51 122.44 2ba1 h ILE 157 Ca 0.15 -1.10 0.04 0.00 -1.37 0.00 0.00 64.86 62.58 2ba1 h ILE 157 Cb 0.10 1.13 -0.04 0.00 0.47 0.00 0.00 36.82 38.48 2ba1 h ILE 157 CO -0.13 0.37 0.09 0.00 -3.07 0.00 0.00 178.15 175.41 2ba1 h ALA 158 N 0.88 0.34 -0.72 0.18 0.00 -0.32 -2.07 119.26 117.54 2ba1 h ALA 158 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2ba1 h ALA 158 Cb 0.54 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2ba1 h ALA 158 CO 0.03 -0.31 0.47 0.00 0.00 0.00 0.00 179.25 179.44 2ba1 h ALA 159 N 1.20 1.61 -0.14 0.00 0.00 -0.04 -2.55 119.26 119.35 2ba1 h ALA 159 Ca 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2ba1 h ALA 159 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ba1 h ALA 159 CO -0.16 0.30 -0.70 -0.07 0.00 0.00 0.00 179.25 178.63 2ba1 h LEU 160 N 0.84 0.70 -1.90 0.00 3.38 -0.81 -3.06 115.31 114.46 2ba1 h LEU 160 Ca 0.29 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2ba1 h LEU 160 Cb 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2ba1 h LEU 160 CO -0.09 1.20 -0.12 0.24 0.09 0.00 0.00 178.44 179.76 2ba1 h MET 161 N 0.42 0.00 -0.72 1.13 2.86 -1.00 -2.44 114.93 115.18 2ba1 h MET 161 Ca -0.03 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.24 2ba1 h MET 161 Cb 1.29 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.73 2ba1 h MET 161 CO 0.13 0.12 0.33 0.09 1.06 0.00 0.00 176.91 178.65 2ba1 n ASN 162 N -3.74 3.25 -4.86 1.22 3.02 -1.01 -4.89 115.26 108.25 2ba1 n ASN 162 Ca -0.02 -3.70 -0.37 0.00 -0.03 0.00 0.00 54.58 50.46 2ba1 n ASN 162 Cb 0.23 -0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.31 5.26 -0.25 3.41 2.01 -0.92 -4.38 115.64 117.45 2ba1 s THR 163 Ca 0.52 0.50 0.02 0.00 0.31 0.00 0.00 61.69 63.03 2ba1 s THR 163 Cb 0.45 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 69.45 2ba1 s THR 163 CO 0.06 0.57 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.70 2ba1 s LYS 164 N -1.15 2.41 -0.07 4.92 2.20 0.33 -1.59 119.74 126.79 2ba1 s LYS 164 Ca 0.21 -1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 54.28 2ba1 s LYS 164 Cb -0.14 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 2ba1 s LYS 164 CO 0.10 -0.52 1.78 0.08 -0.36 0.00 0.00 175.35 176.43 2ba1 s VAL 165 N 1.16 3.40 -1.23 4.02 1.01 -0.00 -4.69 120.40 124.07 2ba1 s VAL 165 Ca -0.06 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 2ba1 s VAL 165 Cb -0.19 -3.34 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2ba1 s VAL 165 CO -0.05 -0.08 2.41 -0.81 0.00 0.00 0.00 175.10 176.56 2ba1 n PRO 166 N 7.48 2.70 -0.10 2.72 -0.04 -1.26 -3.60 135.00 142.89 2ba1 n PRO 166 Ca 0.19 -1.95 -0.09 0.00 -0.04 0.00 0.00 63.50 61.61 2ba1 n PRO 166 Cb 0.43 -2.76 -0.02 0.00 -0.04 0.00 0.00 33.50 31.11 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 6.02 0.41 0.42 0.55 0.00 -1.83 -3.22 119.26 121.60 2ba1 h ALA 167 Ca 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2ba1 h ALA 167 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ba1 h ALA 167 CO 1.70 -0.05 -0.26 0.93 0.00 0.00 0.00 179.25 181.58 2ba1 h GLU 168 N 0.39 -0.62 -1.81 0.00 5.08 -1.84 0.34 114.58 116.13 2ba1 h GLU 168 Ca 0.11 0.04 0.52 0.00 -1.00 0.00 0.00 59.36 59.04 2ba1 h GLU 168 Cb 0.08 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2ba1 h GLU 168 CO -0.02 -0.41 1.34 -0.09 -1.00 0.00 0.00 179.01 178.82 2ba1 h ARG 169 N -0.65 0.00 -0.33 2.33 2.43 -1.95 0.76 114.38 116.98 2ba1 h ARG 169 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2ba1 h ARG 169 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2ba1 h ARG 169 CO 0.05 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.70 2ba1 n PHE 170 N -3.91 0.77 -1.94 2.20 3.72 -1.04 -4.96 117.46 112.29 2ba1 n PHE 170 Ca 0.40 -0.68 -0.09 0.00 -0.05 0.00 0.00 57.45 57.03 2ba1 n PHE 170 Cb 1.88 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 40.23 2ba1 n PHE 170 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2ba1 n ASP 171 N 0.10 -3.42 -0.19 4.37 9.92 0.27 -4.90 116.55 122.71 2ba1 n ASP 171 Ca 0.17 0.05 0.11 0.00 -0.53 0.00 0.00 54.79 54.59 2ba1 n ASP 171 Cb 0.68 -2.45 0.01 0.00 -0.64 0.00 0.00 41.12 38.72 2ba1 n ASP 171 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2ba1 n LEU 172 N -1.26 1.28 -0.67 0.64 4.32 0.12 -4.98 117.00 116.45 2ba1 n LEU 172 Ca -0.11 -0.50 0.02 0.00 -0.02 0.00 0.00 56.01 55.40 2ba1 n LEU 172 Cb 0.51 -0.04 -0.01 0.00 -1.62 0.00 0.00 43.42 42.26 2ba1 n LEU 172 CO 0.13 0.27 -0.23 0.61 -1.22 0.00 0.00 177.39 176.95 2ba1 n GLY 173 N 1.46 -3.26 1.20 -0.72 0.00 -1.14 -4.79 105.19 97.94 2ba1 n GLY 173 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.22 -0.10 -1.27 1.61 1.02 -1.26 -4.09 120.64 114.34 2ba1 n GLU 174 Ca -0.01 0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.92 2ba1 n GLU 174 Cb 0.23 -0.30 0.09 0.00 -0.02 0.00 0.00 31.44 31.44 2ba1 n GLU 174 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ba1 s ASP 175 N 0.00 4.48 0.21 1.62 1.11 -1.26 -4.68 116.67 118.14 2ba1 s ASP 175 Ca 0.00 1.80 -0.21 0.00 0.18 0.00 0.00 52.55 54.32 2ba1 s ASP 175 Cb 0.00 -2.50 0.04 0.00 1.07 0.00 0.00 42.92 41.53 2ba1 s ASP 175 CO 0.00 -2.05 0.62 -0.72 1.18 0.00 0.00 175.17 174.20 2ba1 s TYR 176 N -2.91 -0.32 0.53 4.23 1.13 -1.24 -5.00 117.35 113.77 2ba1 s TYR 176 Ca 0.61 -0.01 -0.18 0.00 -1.41 0.00 0.00 57.07 56.08 2ba1 s TYR 176 Cb -0.17 0.56 -0.07 0.00 -1.10 0.00 0.00 41.96 41.19 2ba1 s TYR 176 CO 0.56 -0.99 1.04 -0.51 -2.51 0.00 0.00 175.55 173.13 2ba1 s LEU 177 N -2.84 3.70 -0.34 -3.49 1.43 -1.26 -0.82 118.68 115.06 2ba1 s LEU 177 Ca 0.06 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.72 2ba1 s LEU 177 Cb -0.03 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.65 2ba1 s LEU 177 CO -0.04 -0.89 1.46 -0.22 0.23 0.00 0.00 176.35 176.90 2ba1 s LEU 178 N -3.91 3.71 -0.06 1.79 2.96 -0.62 -4.75 118.68 117.80 2ba1 s LEU 178 Ca 0.65 1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 55.39 2ba1 s LEU 178 Cb -0.15 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 2ba1 s LEU 178 CO 0.27 -1.34 1.86 -2.16 -1.32 0.00 0.00 176.35 173.66 2ba1 s PRO 179 N 4.76 3.96 -0.19 0.98 0.04 -1.26 -4.86 135.00 138.44 2ba1 s PRO 179 Ca 0.64 2.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.92 2ba1 s PRO 179 Cb -0.17 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 2ba1 s PRO 179 CO 0.30 -1.13 -0.05 0.08 0.04 0.00 0.00 177.00 176.24 2ba1 s VAL 180 N 4.98 3.57 -0.67 -0.36 1.01 -1.26 -4.11 120.40 123.56 2ba1 s VAL 180 Ca 0.83 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 62.47 2ba1 s VAL 180 Cb -0.36 -2.59 0.30 0.00 0.00 0.00 0.00 36.38 33.73 2ba1 s VAL 180 CO 0.35 0.46 1.24 -2.11 0.00 0.00 0.00 175.10 175.04 2ba1 n ARG 181 N 4.17 2.86 -3.47 2.72 1.85 -0.17 -5.02 116.66 119.60 2ba1 n ARG 181 Ca -0.18 -2.11 -0.12 0.00 -1.00 0.00 0.00 57.85 54.45 2ba1 n ARG 181 Cb 0.52 -1.32 -0.03 0.00 -1.05 0.00 0.00 32.46 30.58 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 -1.18 -0.51 -0.55 2.89 3.68 -1.25 -4.88 116.67 114.86 2ba1 s ASP 182 Ca 0.23 0.12 0.04 0.00 2.13 0.00 0.00 52.55 55.07 2ba1 s ASP 182 Cb 0.14 0.51 0.15 0.00 -1.45 0.00 0.00 42.92 42.27 2ba1 s ASP 182 CO 0.12 -0.78 0.33 -0.22 0.13 0.00 0.00 175.17 174.76 2ba1 s LEU 183 N -2.36 3.92 0.12 -1.34 0.20 -1.26 -4.68 118.68 113.28 2ba1 s LEU 183 Ca 0.00 -3.19 -0.31 0.00 0.69 0.00 0.00 54.13 51.33 2ba1 s LEU 183 Cb -0.01 -1.43 -0.07 0.00 -0.43 0.00 0.00 46.19 44.25 2ba1 s LEU 183 CO -0.08 -0.19 1.28 -2.84 -0.29 0.00 0.00 176.35 174.24 2ba1 s PRO 184 N -0.49 4.39 -0.05 0.98 0.02 -1.26 -4.03 135.00 134.57 2ba1 s PRO 184 Ca 0.21 1.94 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 2ba1 s PRO 184 Cb -0.17 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.10 2ba1 s PRO 184 CO -0.06 -0.29 0.01 0.08 -0.33 0.00 0.00 177.00 176.40 2ba1 s VAL 185 N 0.76 0.25 0.04 3.83 1.01 -0.39 -4.84 120.40 121.06 2ba1 s VAL 185 Ca 0.60 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 2ba1 s VAL 185 Cb -0.34 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2ba1 s VAL 185 CO 0.32 0.21 0.24 -0.94 0.00 0.00 0.00 175.10 174.94 2ba1 s SER 186 N 1.65 6.42 -0.19 3.32 1.04 -1.26 -1.40 113.70 123.27 2ba1 s SER 186 Ca -0.01 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2ba1 s SER 186 Cb -0.13 -2.02 0.05 0.00 0.10 0.00 0.00 66.02 64.02 2ba1 s SER 186 CO -0.03 0.19 -0.06 -0.69 0.98 0.00 0.00 173.24 173.63 2ba1 s VAL 187 N -1.44 1.31 -0.13 5.02 1.01 0.08 -4.70 120.40 121.55 2ba1 s VAL 187 Ca 0.32 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2ba1 s VAL 187 Cb -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2ba1 s VAL 187 CO 0.22 0.06 0.10 -0.89 0.00 0.00 0.00 175.10 174.59 2ba1 s THR 188 N 1.53 5.13 0.08 3.92 2.01 -1.26 -1.88 115.64 125.16 2ba1 s THR 188 Ca -0.01 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2ba1 s THR 188 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 2ba1 s THR 188 CO -0.07 0.58 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.84 2ba1 s SER 189 N -0.71 1.92 -0.06 3.53 0.01 0.17 -0.91 113.70 117.66 2ba1 s SER 189 Ca 0.13 -0.63 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 2ba1 s SER 189 Cb -0.12 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2ba1 s SER 189 CO 0.03 -0.03 0.33 -0.22 0.41 0.00 0.00 173.24 173.75 2ba1 s LEU 190 N -1.75 4.41 -0.21 2.44 0.20 0.67 -1.41 118.68 123.03 2ba1 s LEU 190 Ca 0.01 0.76 -0.03 0.00 0.69 0.00 0.00 54.13 55.56 2ba1 s LEU 190 Cb -0.10 -2.43 -0.00 0.00 -0.43 0.00 0.00 46.19 43.23 2ba1 s LEU 190 CO 0.03 0.29 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.67 2ba1 s ILE 191 N -0.72 3.11 -0.38 6.68 1.09 -0.32 -0.58 121.20 130.07 2ba1 s ILE 191 Ca 0.20 -0.59 0.03 0.00 -1.10 0.00 0.00 60.65 59.20 2ba1 s ILE 191 Cb -0.15 -2.39 0.11 0.00 -1.06 0.00 0.00 42.46 38.97 2ba1 s ILE 191 CO 0.09 0.45 0.12 -0.69 -0.10 0.00 0.00 174.94 174.82 2ba1 s VAL 192 N 1.35 2.06 0.00 2.92 1.01 -0.66 -4.79 120.40 122.29 2ba1 s VAL 192 Ca 0.04 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.59 2ba1 s VAL 192 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2ba1 s VAL 192 CO -0.04 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 174.99 2ba1 n GLY 193 N 4.03 2.08 0.01 4.51 0.00 -1.26 -2.50 105.19 112.07 2ba1 n GLY 193 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2ba1 n GLY 193 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ba1 n ASN 194 N 9.79 0.46 -4.84 1.61 6.94 -1.26 -4.82 115.26 123.14 2ba1 n ASN 194 Ca 0.00 -0.73 -0.34 0.00 -0.02 0.00 0.00 54.58 53.49 2ba1 n ASN 194 Cb 0.00 0.97 -0.06 0.00 -2.36 0.00 0.00 39.78 38.33 2ba1 n ASN 194 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2ba1 s LYS 195 N -1.81 4.03 -0.02 -3.83 3.01 -1.04 -4.88 119.74 115.20 2ba1 s LYS 195 Ca 0.04 0.63 0.05 0.00 -1.01 0.00 0.00 55.97 55.67 2ba1 s LYS 195 Cb 0.07 -2.66 -0.01 0.00 -1.01 0.00 0.00 37.83 34.22 2ba1 s LYS 195 CO 0.36 0.29 -0.18 1.52 0.51 0.00 0.00 175.35 177.85 2ba1 s TYR 196 N -1.76 1.63 -0.29 3.18 -0.85 -1.26 -1.65 117.35 116.35 2ba1 s TYR 196 Ca 0.48 -0.35 0.02 0.00 -0.52 0.00 0.00 57.07 56.69 2ba1 s TYR 196 Cb -0.13 -1.06 0.07 0.00 0.38 0.00 0.00 41.96 41.22 2ba1 s TYR 196 CO 0.19 -0.06 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.61 2ba1 s LEU 197 N -0.30 3.90 0.36 -3.49 1.02 0.25 -4.85 118.68 115.58 2ba1 s LEU 197 Ca 0.04 -1.54 -0.27 0.00 0.02 0.00 0.00 54.13 52.38 2ba1 s LEU 197 Cb -0.08 -1.62 -0.09 0.00 0.02 0.00 0.00 46.19 44.42 2ba1 s LEU 197 CO 0.00 -0.26 1.20 -0.69 0.02 0.00 0.00 176.35 176.62 2ba1 s VAL 198 N 1.10 3.07 -1.05 -1.59 1.01 -0.29 -0.24 120.40 122.41 2ba1 s VAL 198 Ca -0.03 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.75 2ba1 s VAL 198 Cb -0.20 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2ba1 s VAL 198 CO -0.05 0.16 0.74 -0.67 0.00 0.00 0.00 175.10 175.28 2ba1 n ASP 199 N 0.45 -5.38 -4.76 3.32 4.64 -0.08 -4.64 116.55 110.10 2ba1 n ASP 199 Ca 0.02 -0.95 -0.39 0.00 -1.38 0.00 0.00 54.79 52.09 2ba1 n ASP 199 Cb 0.45 -3.08 0.02 0.00 -1.04 0.00 0.00 41.12 37.46 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 -5.68 3.59 0.45 -0.67 0.04 -1.25 -4.80 135.00 126.68 2ba1 s PRO 200 Ca 0.35 2.26 -0.02 0.00 0.04 0.00 0.00 61.00 63.64 2ba1 s PRO 200 Cb -0.14 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 2ba1 s PRO 200 CO 0.87 -0.84 0.70 -1.54 0.04 0.00 0.00 177.00 176.23 2ba1 s SER 201 N -0.75 5.98 0.59 6.66 1.04 -1.26 -3.71 113.70 122.25 2ba1 s SER 201 Ca 0.63 0.50 0.29 0.00 0.48 0.00 0.00 55.95 57.85 2ba1 s SER 201 Cb -0.40 -1.80 1.76 0.00 0.10 0.00 0.00 66.02 65.68 2ba1 s SER 201 CO 0.51 -0.64 2.22 -0.09 0.98 0.00 0.00 173.24 176.21 2ba1 h ARG 202 N 0.36 0.00 0.00 4.02 1.12 -0.93 -0.47 114.38 118.48 2ba1 h ARG 202 Ca -0.47 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.35 2ba1 h ARG 202 Cb 1.24 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 2ba1 h ARG 202 CO 0.59 0.00 -0.30 1.49 -3.11 0.00 0.00 179.97 178.64 2ba1 h GLU 203 N 0.00 0.00 0.00 0.20 4.81 -1.93 -3.15 114.58 114.51 2ba1 h GLU 203 Ca 0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2ba1 h GLU 203 Cb 0.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2ba1 h GLU 203 CO -0.00 0.25 -0.89 0.93 -0.73 0.00 0.00 179.01 178.57 2ba1 h GLU 204 N 0.00 0.00 0.00 1.92 5.08 -1.49 -3.23 114.58 116.86 2ba1 h GLU 204 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ba1 h GLU 204 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ba1 h GLU 204 CO 0.03 0.32 0.00 -1.33 -1.00 0.00 0.00 179.01 177.03 2ba1 n MET 205 N -3.01 0.62 0.04 2.33 2.81 -0.75 -2.22 117.12 116.94 2ba1 n MET 205 Ca -0.03 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.97 2ba1 n MET 205 Cb 0.74 -1.46 0.45 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.96 0.27 -0.02 7.83 3.41 -1.22 -2.55 113.62 120.38 2ba1 n SER 206 Ca 0.14 0.55 -0.17 0.00 -0.26 0.00 0.00 58.87 59.13 2ba1 n SER 206 Cb 0.06 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.32 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 1.34 0.00 -3.33 2.07 -1.72 -3.43 116.25 111.19 2ba1 h VAL 207 Ca 0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2ba1 h VAL 207 Cb 0.43 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2ba1 h VAL 207 CO 0.00 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.77 2ba1 n GLY 208 N 0.74 3.07 1.83 2.17 0.00 -1.06 -5.00 105.19 106.95 2ba1 n GLY 208 Ca -0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 2ba1 n GLY 208 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ba1 n ASP 209 N 0.00 5.91 -4.41 1.61 3.85 -1.26 -4.80 116.55 117.45 2ba1 n ASP 209 Ca 0.00 -2.77 -0.44 0.00 -0.71 0.00 0.00 54.79 50.87 2ba1 n ASP 209 Cb 0.00 -1.15 -0.06 0.00 -1.35 0.00 0.00 41.12 38.56 2ba1 n ASP 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2ba1 s THR 210 N -1.04 4.92 0.25 2.12 -4.23 -1.26 -3.87 115.64 112.52 2ba1 s THR 210 Ca 0.28 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 2ba1 s THR 210 Cb 0.18 -4.34 -0.05 0.00 1.34 0.00 0.00 72.50 69.63 2ba1 s THR 210 CO -0.03 -0.88 0.09 0.42 -0.54 0.00 0.00 174.62 173.68 2ba1 s THR 211 N 2.48 0.58 -0.01 3.99 -4.23 -0.23 -1.17 115.64 117.04 2ba1 s THR 211 Ca 0.12 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2ba1 s THR 211 Cb -0.22 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.02 2ba1 s THR 211 CO 0.09 -0.03 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.88 2ba1 s LEU 212 N -3.31 1.79 -0.06 4.79 1.98 -0.50 -1.54 118.68 121.83 2ba1 s LEU 212 Ca 0.37 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.54 2ba1 s LEU 212 Cb 0.08 -0.26 0.02 0.00 0.66 0.00 0.00 46.19 46.69 2ba1 s LEU 212 CO 0.13 0.02 -0.06 -0.89 -1.89 0.00 0.00 176.35 173.66 2ba1 s THR 213 N 0.20 0.73 -0.08 3.68 2.01 0.58 -0.66 115.64 122.10 2ba1 s THR 213 Ca -0.02 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2ba1 s THR 213 Cb -0.05 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2ba1 s THR 213 CO -0.00 0.28 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.41 2ba1 s ILE 214 N 1.11 1.51 -0.11 1.82 1.01 -0.79 -0.64 121.20 125.12 2ba1 s ILE 214 Ca -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2ba1 s ILE 214 Cb -0.14 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2ba1 s ILE 214 CO -0.01 0.44 -0.09 -0.89 0.00 0.00 0.00 174.94 174.39 2ba1 s THR 215 N 0.54 3.45 0.25 2.92 2.01 0.14 -0.74 115.64 124.20 2ba1 s THR 215 Ca -0.16 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.41 2ba1 s THR 215 Cb -0.17 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2ba1 s THR 215 CO 0.06 0.54 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.48 2ba1 s THR 216 N -0.05 2.74 0.00 -0.82 2.01 -0.49 -0.99 115.64 118.03 2ba1 s THR 216 Ca -0.01 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.86 2ba1 s THR 216 Cb -0.14 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.97 2ba1 s THR 216 CO 0.03 -0.30 0.00 -0.90 -0.69 0.00 0.00 174.62 172.77 2ba1 n ASP 217 N -0.40 0.37 -0.11 3.53 5.75 -0.13 -1.27 116.55 124.29 2ba1 n ASP 217 Ca -0.08 -0.59 -0.06 0.00 -0.01 0.00 0.00 54.79 54.05 2ba1 n ASP 217 Cb 0.58 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.69 2ba1 n ASP 217 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2ba1 h LYS 218 N 0.00 0.35 -0.90 0.11 3.64 -1.90 -2.83 116.57 115.03 2ba1 h LYS 218 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2ba1 h LYS 218 Cb 0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2ba1 h LYS 218 CO 0.00 0.23 0.02 -0.25 -2.27 0.00 0.00 179.45 177.18 2ba1 n ASP 219 N -4.96 2.37 -1.37 4.20 8.00 -1.26 -4.88 116.55 118.65 2ba1 n ASP 219 Ca 0.01 -2.27 -0.14 0.00 0.71 0.00 0.00 54.79 53.10 2ba1 n ASP 219 Cb 0.11 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 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 0.16 -4.51 -4.92 -2.24 9.92 -1.07 -5.02 116.55 108.87 2ba1 n ASP 220 Ca 0.08 0.15 -0.29 0.00 -0.53 0.00 0.00 54.79 54.21 2ba1 n ASP 220 Cb 0.54 -3.48 -0.04 0.00 -0.64 0.00 0.00 41.12 37.50 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 -2.59 6.40 -0.30 -2.24 0.01 -1.26 -4.84 114.94 110.12 2ba1 s ASN 221 Ca 0.00 0.38 -0.27 0.00 -0.71 0.00 0.00 52.86 52.26 2ba1 s ASN 221 Cb 0.00 -2.00 0.01 0.00 0.41 0.00 0.00 41.25 39.67 2ba1 s ASN 221 CO 0.00 0.03 0.99 -0.69 -1.51 0.00 0.00 177.10 175.92 2ba1 s VAL 222 N -1.74 4.61 -0.10 1.60 1.01 -1.26 -0.95 120.40 123.57 2ba1 s VAL 222 Ca 0.38 1.61 0.21 0.00 0.00 0.00 0.00 61.98 64.18 2ba1 s VAL 222 Cb -0.12 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.69 2ba1 s VAL 222 CO 0.28 -0.37 0.57 0.52 0.00 0.00 0.00 175.10 176.09 2ba1 n VAL 223 N 5.70 0.38 -3.60 2.92 0.31 -0.16 -4.96 118.33 118.91 2ba1 n VAL 223 Ca 0.10 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.77 2ba1 n VAL 223 Cb 0.47 -0.18 -0.05 0.00 -0.91 0.00 0.00 33.84 33.17 2ba1 n VAL 223 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ba1 s ALA 224 N -3.32 -1.98 0.07 3.52 0.00 -1.16 -4.79 121.76 114.10 2ba1 s ALA 224 Ca -0.06 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2ba1 s ALA 224 Cb 0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2ba1 s ALA 224 CO 0.87 -0.28 -0.04 -1.64 0.00 0.00 0.00 175.76 174.67 2ba1 s MET 225 N -0.90 0.70 -0.30 0.00 -1.94 -1.26 0.24 119.30 115.84 2ba1 s MET 225 Ca 0.01 -1.26 -0.13 0.00 -1.71 0.00 0.00 55.69 52.60 2ba1 s MET 225 Cb -0.01 0.04 0.16 0.00 2.01 0.00 0.00 34.83 37.03 2ba1 s MET 225 CO -0.02 -0.07 0.87 -1.14 -0.01 0.00 0.00 175.02 174.66 2ba1 s GLN 226 N -3.87 0.39 -0.20 2.03 2.00 0.19 -4.99 119.66 115.22 2ba1 s GLN 226 Ca 0.09 0.95 -0.04 0.00 -2.00 0.00 0.00 55.36 54.36 2ba1 s GLN 226 Cb 0.07 0.57 -0.01 0.00 0.80 0.00 0.00 33.01 34.44 2ba1 s GLN 226 CO -0.08 -0.15 -0.04 -1.59 -0.50 0.00 0.00 175.29 172.93 2ba1 s LYS 227 N 2.62 3.46 0.08 1.67 0.00 -1.26 -0.30 119.74 126.00 2ba1 s LYS 227 Ca -0.03 -0.60 0.10 0.00 0.00 0.00 0.00 55.97 55.44 2ba1 s LYS 227 Cb -0.08 -2.97 -0.03 0.00 0.00 0.00 0.00 37.83 34.75 2ba1 s LYS 227 CO -0.18 -0.06 -0.26 -1.12 0.00 0.00 0.00 175.35 173.74 2ba1 s SER 228 N 1.12 3.12 0.00 0.03 0.01 -0.59 -4.99 113.70 112.40 2ba1 s SER 228 Ca 0.02 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2ba1 s SER 228 Cb -0.15 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.84 2ba1 s SER 228 CO -0.00 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.46 2ba1 n GLY 229 N 1.40 3.00 3.37 3.44 0.00 -1.25 -1.07 105.19 114.08 2ba1 n GLY 229 Ca -0.18 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.31 3.36 3.40 -0.02 0.00 -1.26 -4.92 105.19 105.44 2ba1 n GLY 230 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 2.49 -0.44 -0.21 1.61 -0.85 -1.26 -5.01 117.35 113.67 2ba1 s TYR 231 Ca 0.47 0.40 -0.16 0.00 -0.52 0.00 0.00 57.07 57.26 2ba1 s TYR 231 Cb 0.03 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2ba1 s TYR 231 CO 0.02 -0.70 0.40 -0.51 -1.52 0.00 0.00 175.55 173.24 2ba1 s LEU 232 N -2.24 4.13 -0.20 -3.49 1.43 -1.26 -5.06 118.68 112.00 2ba1 s LEU 232 Ca -0.03 0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.33 2ba1 s LEU 232 Cb -0.00 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 2ba1 s LEU 232 CO -0.05 -0.10 0.69 -0.22 0.23 0.00 0.00 176.35 176.89 2ba1 s LEU 233 N 1.45 4.14 0.13 1.79 0.20 -1.26 -5.00 118.68 120.14 2ba1 s LEU 233 Ca 0.18 0.91 -0.30 0.00 0.69 0.00 0.00 54.13 55.61 2ba1 s LEU 233 Cb -0.15 -2.98 -0.07 0.00 -0.43 0.00 0.00 46.19 42.56 2ba1 s LEU 233 CO 0.08 -0.32 1.17 -0.62 -0.29 0.00 0.00 176.35 176.38 2ba1 s ASP 234 N 1.22 7.13 0.30 3.68 -1.08 -1.26 -4.92 116.67 121.73 2ba1 s ASP 234 Ca 0.31 2.11 0.01 0.00 -0.52 0.00 0.00 52.55 54.46 2ba1 s ASP 234 Cb -0.16 -2.59 0.47 0.00 -1.46 0.00 0.00 42.92 39.17 2ba1 s ASP 234 CO 0.10 -0.38 1.83 -0.08 0.52 0.00 0.00 175.17 177.17 2ba1 h GLU 235 N 5.87 0.69 -0.26 4.34 4.81 -1.99 -1.75 114.58 126.29 2ba1 h GLU 235 Ca -0.43 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2ba1 h GLU 235 Cb 1.21 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2ba1 h GLU 235 CO 0.77 0.68 0.17 -0.22 -0.73 0.00 0.00 179.01 179.68 2ba1 h LYS 236 N 0.66 0.35 -0.37 1.92 3.64 -2.01 -1.73 116.57 119.04 2ba1 h LYS 236 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2ba1 h LYS 236 Cb 0.35 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 2ba1 h LYS 236 CO 0.01 0.24 0.21 1.25 -2.27 0.00 0.00 179.45 178.89 2ba1 h LEU 237 N 0.35 0.45 0.11 5.20 6.46 -1.85 -2.82 115.31 123.21 2ba1 h LEU 237 Ca 0.10 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2ba1 h LEU 237 Cb -0.03 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 2ba1 h LEU 237 CO -0.02 0.40 -0.45 0.15 -0.62 0.00 0.00 178.44 177.90 2ba1 h PHE 238 N 0.47 -1.28 -0.89 1.25 3.57 -0.92 0.00 116.94 119.14 2ba1 h PHE 238 Ca 0.13 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.84 2ba1 h PHE 238 Cb 0.04 0.55 -0.11 0.00 2.79 0.00 0.00 35.95 39.22 2ba1 h PHE 238 CO -0.03 -0.54 0.45 -0.44 -2.23 0.00 0.00 178.31 175.52 2ba1 h ASP 239 N -0.67 0.51 0.49 0.41 3.32 -1.25 0.35 116.42 119.57 2ba1 h ASP 239 Ca 0.02 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2ba1 h ASP 239 Cb 0.70 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2ba1 h ASP 239 CO -0.27 0.15 -0.24 -0.08 -1.72 0.00 0.00 179.24 177.09 2ba1 h GLU 240 N 0.57 -0.64 0.00 3.56 4.81 -1.15 -2.94 114.58 118.79 2ba1 h GLU 240 Ca 0.52 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.78 2ba1 h GLU 240 Cb 0.84 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 2ba1 h GLU 240 CO -0.42 -0.35 -0.04 1.25 -0.73 0.00 0.00 179.01 178.72 2ba1 h LEU 241 N -0.83 0.00 -0.80 1.64 5.85 -0.27 -1.91 115.31 118.98 2ba1 h LEU 241 Ca -0.07 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2ba1 h LEU 241 Cb 0.58 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2ba1 h LEU 241 CO 0.11 0.04 0.36 0.25 -0.34 0.00 0.00 178.44 178.87 2ba1 h LEU 242 N 0.00 1.06 0.22 2.25 7.12 -0.15 -0.68 115.31 125.13 2ba1 h LEU 242 Ca -0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 2ba1 h LEU 242 Cb 0.12 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 2ba1 h LEU 242 CO 0.01 0.92 -0.11 0.44 -0.13 0.00 0.00 178.44 179.57 2ba1 h ASP 243 N 1.14 -0.25 -0.59 1.25 3.32 -1.33 -2.91 116.42 117.05 2ba1 h ASP 243 Ca 0.27 -0.28 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2ba1 h ASP 243 Cb 0.15 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.66 2ba1 h ASP 243 CO -0.03 0.24 -0.51 0.58 -1.72 0.00 0.00 179.24 177.80 2ba1 h VAL 244 N -0.84 0.03 -0.43 -1.35 2.07 -1.37 -0.77 116.25 113.59 2ba1 h VAL 244 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2ba1 h VAL 244 Cb 0.51 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2ba1 h VAL 244 CO 0.05 0.00 -0.28 0.28 0.02 0.00 0.00 177.57 177.64 2ba1 h SER 245 N -0.26 -0.95 -0.67 0.57 0.02 -1.20 0.31 113.55 111.37 2ba1 h SER 245 Ca 0.14 0.19 0.11 0.00 -0.84 0.00 0.00 61.79 61.38 2ba1 h SER 245 Cb 0.55 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2ba1 h SER 245 CO -0.70 -0.29 0.44 0.40 -1.14 0.00 0.00 176.83 175.54 2ba1 h ILE 246 N -0.20 0.89 -0.02 3.27 2.04 -1.07 -0.45 117.51 121.97 2ba1 h ILE 246 Ca 0.19 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2ba1 h ILE 246 Cb 0.51 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2ba1 h ILE 246 CO -0.55 0.09 -0.06 -1.13 0.00 0.00 0.00 178.15 176.50 2ba1 h ASN 247 N 0.47 0.09 -0.79 1.72 -1.24 0.84 -3.06 115.58 113.60 2ba1 h ASN 247 Ca 0.31 -0.59 0.14 0.00 0.71 0.00 0.00 56.30 56.87 2ba1 h ASN 247 Cb 0.58 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.55 2ba1 h ASN 247 CO -0.10 0.66 0.52 0.00 -1.29 0.00 0.00 177.43 177.23 2ba1 h ALA 249 N 1.63 -0.08 -0.34 0.00 0.00 -1.04 -0.66 119.26 118.78 2ba1 h ALA 249 Ca 0.39 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2ba1 h ALA 249 Cb 0.75 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2ba1 h ALA 249 CO -0.15 -0.58 0.16 0.00 0.00 0.00 0.00 179.25 178.69 2ba1 h ARG 250 N -0.16 0.33 0.00 0.00 3.08 -1.01 1.10 114.38 117.72 2ba1 h ARG 250 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ba1 h ARG 250 Cb 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2ba1 h ARG 250 CO -0.14 0.22 -0.00 0.87 -1.07 0.00 0.00 179.97 179.85 2ba1 h LYS 251 N 0.34 0.00 0.04 0.04 1.57 -1.08 -2.53 116.57 114.94 2ba1 h LYS 251 Ca 0.14 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.75 2ba1 h LYS 251 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ba1 h LYS 251 CO -0.10 0.00 -0.87 -0.07 -0.57 0.00 0.00 179.45 177.84 2ba1 h LEU 252 N 0.00 0.12 -0.16 2.94 3.38 0.10 -3.33 115.31 118.37 2ba1 h LEU 252 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2ba1 h LEU 252 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ba1 h LEU 252 CO 0.00 1.36 0.11 -1.14 0.09 0.00 0.00 178.44 178.86 2ba1 n ARG 253 N -4.34 0.02 0.08 1.13 0.63 0.37 -0.33 116.66 114.21 2ba1 n ARG 253 Ca -0.22 0.43 0.12 0.00 -0.92 0.00 0.00 57.85 57.26 2ba1 n ARG 253 Cb 0.68 -1.66 0.20 0.00 0.45 0.00 0.00 32.46 32.13 2ba1 n ARG 253 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2ba1 h GLU 254 N 0.00 0.00 -0.24 -0.14 4.81 -1.57 -3.25 114.58 114.19 2ba1 h GLU 254 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ba1 h GLU 254 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ba1 h GLU 254 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 2ba1 n LYS 255 N -2.23 1.13 -0.00 1.92 5.02 0.55 -1.99 118.16 122.56 2ba1 n LYS 255 Ca 0.03 -0.16 0.04 0.00 -2.02 0.00 0.00 58.31 56.20 2ba1 n LYS 255 Cb 0.45 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 2ba1 n LYS 255 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2ba1 n PHE 256 N -0.29 0.00 -0.04 2.13 3.72 -1.23 -4.51 117.46 117.25 2ba1 n PHE 256 Ca 0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.25 2ba1 n PHE 256 Cb 0.09 -0.08 -0.13 0.00 -0.94 0.00 0.00 39.48 38.42 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 0.09 -0.00 -1.08 1.63 -1.56 -3.53 116.57 112.11 2ba1 h LYS 257 Ca 0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2ba1 h LYS 257 Cb 0.27 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2ba1 h LYS 257 CO 0.00 1.07 0.00 0.39 -3.45 0.00 0.00 179.45 177.46