#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b54 n GLU 2 N 0.00 0.05 -0.03 2.12 4.71 -1.26 -2.43 120.64 123.79 2b54 n GLU 2 Ca 0.00 0.17 0.12 0.00 -0.01 0.00 0.00 57.16 57.43 2b54 n GLU 2 Cb 0.00 -1.57 0.52 0.00 -1.01 0.00 0.00 31.44 29.38 2b54 n GLU 2 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2b54 n ASN 3 N -1.65 1.03 -4.06 1.62 4.13 -1.26 -4.83 115.26 110.24 2b54 n ASN 3 Ca 0.05 -1.51 -0.32 0.00 1.68 0.00 0.00 54.58 54.48 2b54 n ASN 3 Cb 0.27 -0.04 -0.15 0.00 -1.54 0.00 0.00 39.78 38.31 2b54 n ASN 3 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2b54 s PHE 4 N -1.91 2.95 -0.48 3.10 0.08 -1.02 -1.93 117.98 118.76 2b54 s PHE 4 Ca 0.34 -2.00 -0.28 0.00 0.12 0.00 0.00 56.93 55.12 2b54 s PHE 4 Cb 0.18 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2b54 s PHE 4 CO 0.28 -0.83 1.58 -0.65 -0.10 0.00 0.00 175.22 175.49 2b54 s GLN 5 N 1.22 3.26 0.15 0.44 -0.21 0.01 -4.82 119.66 119.70 2b54 s GLN 5 Ca -0.04 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 55.85 2b54 s GLN 5 Cb -0.18 -4.16 -0.08 0.00 1.00 0.00 0.00 33.01 29.59 2b54 s GLN 5 CO -0.08 -1.97 1.27 0.15 -2.12 0.00 0.00 175.29 172.54 2b54 s LYS 6 N 5.67 4.41 -0.23 2.91 1.02 -1.26 0.21 119.74 132.48 2b54 s LYS 6 Ca 0.63 1.95 -0.12 0.00 0.02 0.00 0.00 55.97 58.44 2b54 s LYS 6 Cb -0.14 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.82 2b54 s LYS 6 CO 0.28 -0.24 -0.30 0.28 -0.92 0.00 0.00 175.35 174.45 2b54 n VAL 7 N 3.12 1.32 -3.55 3.17 0.31 0.16 -4.93 118.33 117.92 2b54 n VAL 7 Ca 0.07 -0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 63.99 2b54 n VAL 7 Cb 0.44 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 2b54 n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2b54 s GLU 8 N -2.47 0.86 0.12 5.55 2.12 -0.92 -4.97 118.70 118.98 2b54 s GLU 8 Ca -0.32 0.28 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 2b54 s GLU 8 Cb 0.12 0.41 -0.09 0.00 0.26 0.00 0.00 34.13 34.82 2b54 s GLU 8 CO 0.41 -0.25 1.57 -1.59 -0.54 0.00 0.00 175.26 174.85 2b54 s LYS 9 N -1.00 4.23 -0.06 4.30 0.00 -1.26 0.64 119.74 126.58 2b54 s LYS 9 Ca -0.07 2.29 0.15 0.00 0.00 0.00 0.00 55.97 58.35 2b54 s LYS 9 Cb -0.01 -3.35 0.50 0.00 0.00 0.00 0.00 37.83 34.98 2b54 s LYS 9 CO 0.06 -0.63 1.42 0.44 0.00 0.00 0.00 175.35 176.64 2b54 n ILE 10 N 4.27 1.44 0.00 3.79 -5.35 0.43 -4.79 119.36 119.15 2b54 n ILE 10 Ca 0.14 -1.21 0.00 0.00 -0.27 0.00 0.00 62.75 61.41 2b54 n ILE 10 Cb 0.40 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2b54 n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2b54 n GLY 11 N 0.65 4.77 3.69 3.28 0.00 -1.18 -5.00 105.19 111.40 2b54 n GLY 11 Ca 0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2b54 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b54 s GLU 12 N -4.80 4.42 -0.43 1.61 2.56 -1.26 -2.80 118.70 118.00 2b54 s GLU 12 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 54.97 56.57 2b54 s GLU 12 Cb 0.00 -3.50 0.17 0.00 2.00 0.00 0.00 34.13 32.80 2b54 s GLU 12 CO 0.00 -0.31 0.43 0.20 -0.56 0.00 0.00 175.26 175.02 2b54 s GLY 13 N 1.22 0.40 0.00 -1.50 0.00 -1.23 -4.89 107.32 101.31 2b54 s GLY 13 Ca 0.53 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2b54 s GLY 13 CO 0.23 2.59 0.00 2.41 0.00 0.00 0.00 173.10 178.32 2b54 n THR 14 N 3.17 0.00 0.39 0.90 -1.04 -1.26 -2.08 114.28 114.36 2b54 n THR 14 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2b54 n THR 14 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 2b54 n THR 14 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2b54 n TYR 15 N 0.00 0.00 0.00 -1.42 4.02 -1.26 -4.83 117.16 113.67 2b54 n TYR 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2b54 n TYR 15 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2b54 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2b54 n GLY 16 N -0.17 1.75 3.79 2.72 0.00 -0.88 0.36 105.19 112.76 2b54 n GLY 16 Ca 0.00 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2b54 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b54 s VAL 17 N -1.45 4.38 -0.14 1.61 0.11 -0.63 -3.58 120.40 120.70 2b54 s VAL 17 Ca 0.00 1.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.65 2b54 s VAL 17 Cb 0.00 -3.99 0.02 0.00 -1.53 0.00 0.00 36.38 30.89 2b54 s VAL 17 CO 0.00 0.25 -0.13 0.54 -3.33 0.00 0.00 175.10 172.44 2b54 s VAL 18 N -1.48 1.43 0.01 2.04 0.11 -1.12 0.48 120.40 121.87 2b54 s VAL 18 Ca 0.44 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 2b54 s VAL 18 Cb -0.19 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2b54 s VAL 18 CO 0.23 0.43 0.08 -0.31 -3.33 0.00 0.00 175.10 172.21 2b54 s TYR 19 N 1.50 3.26 0.17 1.54 1.51 -0.08 -0.43 117.35 124.83 2b54 s TYR 19 Ca 0.04 0.18 -0.30 0.00 -1.01 0.00 0.00 57.07 55.98 2b54 s TYR 19 Cb -0.13 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2b54 s TYR 19 CO -0.09 0.54 1.08 0.21 -1.11 0.00 0.00 175.55 176.17 2b54 s LYS 20 N -1.85 4.62 0.09 -0.62 2.20 0.21 -1.78 119.74 122.60 2b54 s LYS 20 Ca 0.24 1.68 -0.00 0.00 -0.36 0.00 0.00 55.97 57.52 2b54 s LYS 20 Cb -0.12 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2b54 s LYS 20 CO 0.15 0.11 -0.02 0.00 -0.36 0.00 0.00 175.35 175.24 2b54 s ALA 21 N -0.27 0.75 0.02 3.13 0.00 0.14 -0.67 121.76 124.86 2b54 s ALA 21 Ca 0.49 -1.32 0.08 0.00 0.00 0.00 0.00 51.96 51.20 2b54 s ALA 21 Cb -0.28 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2b54 s ALA 21 CO 0.34 -0.36 -0.23 0.50 0.00 0.00 0.00 175.76 176.01 2b54 s ARG 22 N -3.92 1.69 -0.08 0.00 3.52 0.13 -0.80 118.95 119.49 2b54 s ARG 22 Ca 0.13 -0.96 -0.09 0.00 -0.13 0.00 0.00 55.73 54.68 2b54 s ARG 22 Cb 0.07 -1.77 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2b54 s ARG 22 CO -0.06 0.46 0.21 1.21 -0.81 0.00 0.00 175.30 176.32 2b54 s ASN 23 N -1.00 6.49 -0.00 -2.12 3.84 0.47 -0.81 114.94 121.81 2b54 s ASN 23 Ca 0.09 0.58 -0.00 0.00 0.21 0.00 0.00 52.86 53.75 2b54 s ASN 23 Cb -0.09 -2.11 -0.26 0.00 -0.55 0.00 0.00 41.25 38.24 2b54 s ASN 23 CO 0.01 0.38 0.84 0.11 -2.79 0.00 0.00 177.10 175.64 2b54 h LYS 24 N 4.82 0.19 0.20 0.43 1.57 -1.72 0.98 116.57 123.04 2b54 h LYS 24 Ca -0.54 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 57.91 2b54 h LYS 24 Cb 1.22 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2b54 h LYS 24 CO 0.60 1.02 -0.10 1.37 -0.57 0.00 0.00 179.45 181.77 2b54 h LEU 25 N 0.05 -0.23 -0.16 2.94 -0.00 -1.95 -3.33 115.31 112.64 2b54 h LEU 25 Ca -0.24 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.88 57.29 2b54 h LEU 25 Cb 1.99 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 42.72 2b54 h LEU 25 CO 0.14 0.06 -0.57 0.71 -0.00 0.00 0.00 178.44 178.78 2b54 h THR 26 N -0.53 1.32 0.00 0.15 1.35 -1.96 -3.48 112.91 109.77 2b54 h THR 26 Ca -0.03 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 2b54 h THR 26 Cb 0.39 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2b54 h THR 26 CO 0.05 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 2b54 n GLY 27 N 0.61 0.39 3.89 5.82 0.00 0.34 -5.06 105.19 111.18 2b54 n GLY 27 Ca -0.07 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2b54 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b54 s GLU 28 N -2.01 3.64 -0.25 1.61 2.56 -1.23 -4.82 118.70 118.19 2b54 s GLU 28 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 54.97 54.71 2b54 s GLU 28 Cb 0.00 -2.95 -0.01 0.00 2.00 0.00 0.00 34.13 33.17 2b54 s GLU 28 CO 0.00 0.54 0.71 0.08 -0.56 0.00 0.00 175.26 176.03 2b54 s VAL 29 N -1.51 4.92 0.20 3.70 1.01 -1.26 -0.40 120.40 127.07 2b54 s VAL 29 Ca 0.36 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.67 2b54 s VAL 29 Cb -0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2b54 s VAL 29 CO 0.21 -0.02 0.00 0.68 0.00 0.00 0.00 175.10 175.97 2b54 s VAL 30 N 2.65 0.84 -0.26 2.92 -7.23 0.02 -4.27 120.40 115.08 2b54 s VAL 30 Ca 0.30 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 2b54 s VAL 30 Cb -0.15 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2b54 s VAL 30 CO 0.08 -0.38 0.14 0.00 -0.31 0.00 0.00 175.10 174.62 2b54 s ALA 31 N -3.55 3.38 -0.34 1.32 0.00 -0.11 0.23 121.76 122.69 2b54 s ALA 31 Ca 0.27 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2b54 s ALA 31 Cb 0.06 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 2b54 s ALA 31 CO 0.07 -0.49 0.23 -1.17 0.00 0.00 0.00 175.76 174.40 2b54 s LEU 32 N 1.63 4.52 -0.30 0.00 1.98 -0.74 0.25 118.68 126.03 2b54 s LEU 32 Ca 0.07 -0.46 -0.10 0.00 -2.89 0.00 0.00 54.13 50.74 2b54 s LEU 32 Cb -0.15 -2.12 -0.02 0.00 0.66 0.00 0.00 46.19 44.55 2b54 s LEU 32 CO 0.07 -0.24 0.17 -0.75 -1.89 0.00 0.00 176.35 173.71 2b54 s LYS 33 N 1.71 3.55 -0.30 1.98 2.47 0.37 -0.90 119.74 128.63 2b54 s LYS 33 Ca 0.06 -0.58 -0.19 0.00 -1.56 0.00 0.00 55.97 53.69 2b54 s LYS 33 Cb -0.17 -3.60 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 2b54 s LYS 33 CO 0.10 -0.34 0.58 0.15 0.16 0.00 0.00 175.35 176.00 2b54 s LYS 34 N 1.67 3.92 -0.11 4.03 1.02 0.18 -1.37 119.74 129.08 2b54 s LYS 34 Ca 0.06 0.25 -0.24 0.00 0.02 0.00 0.00 55.97 56.06 2b54 s LYS 34 Cb -0.17 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 2b54 s LYS 34 CO 0.08 -0.51 0.76 0.42 -0.92 0.00 0.00 175.35 175.18 2b54 s ILE 35 N 2.48 4.97 0.42 2.17 -1.09 -0.85 -1.60 121.20 127.71 2b54 s ILE 35 Ca 0.23 1.53 -0.26 0.00 -2.23 0.00 0.00 60.65 59.92 2b54 s ILE 35 Cb -0.15 -4.09 -0.09 0.00 -1.58 0.00 0.00 42.46 36.55 2b54 s ILE 35 CO 0.11 0.15 1.39 -2.11 -1.23 0.00 0.00 174.94 173.24 2b54 n ARG 36 N 4.44 2.22 -1.68 2.79 0.00 0.16 -4.41 116.66 120.19 2b54 n ARG 36 Ca 0.01 0.79 -0.55 0.00 -0.00 0.00 0.00 57.85 58.10 2b54 n ARG 36 Cb 0.50 -2.55 -0.07 0.00 -0.00 0.00 0.00 32.46 30.35 2b54 n ARG 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2b54 n LEU 37 N 0.09 2.33 -3.56 2.89 -0.00 -1.26 -1.80 117.00 115.69 2b54 n LEU 37 Ca 0.05 1.08 -0.32 0.00 -0.00 0.00 0.00 56.01 56.81 2b54 n LEU 37 Cb 0.40 -1.19 0.02 0.00 -0.00 0.00 0.00 43.42 42.66 2b54 n LEU 37 CO 0.60 -0.55 -0.24 0.47 -0.00 0.00 0.00 177.39 177.68 2b54 n ASP 38 N 4.71 -5.47 -4.36 1.45 10.43 -1.23 -4.62 116.55 117.46 2b54 n ASP 38 Ca 0.24 -0.38 -0.45 0.00 2.57 0.00 0.00 54.79 56.77 2b54 n ASP 38 Cb 0.17 -1.93 -0.05 0.00 1.84 0.00 0.00 41.12 41.15 2b54 n ASP 38 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2b54 s THR 39 N -2.05 4.88 0.15 -3.53 2.01 -0.75 -5.02 115.64 111.34 2b54 s THR 39 Ca 0.25 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2b54 s THR 39 Cb -0.03 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 68.01 2b54 s THR 39 CO 0.88 -1.09 0.00 1.21 -0.69 0.00 0.00 174.62 174.92 2b54 n GLU 40 N 6.16 0.00 -1.38 4.92 2.13 -1.16 -3.97 120.64 127.33 2b54 n GLU 40 Ca -0.10 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.37 2b54 n GLU 40 Cb 0.42 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.23 2b54 n GLU 40 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2b54 n THR 41 N -2.75 3.17 1.33 6.31 -2.24 -1.25 -1.62 114.28 117.23 2b54 n THR 41 Ca 0.00 -0.35 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 2b54 n THR 41 Cb 0.00 -1.24 0.30 0.00 -2.10 0.00 0.00 70.33 67.29 2b54 n THR 41 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2b54 n GLU 42 N -2.34 0.67 0.00 -0.78 0.00 -1.26 -3.51 120.64 113.42 2b54 n GLU 42 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2b54 n GLU 42 Cb 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.69 2b54 n GLU 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2b54 n GLY 43 N 0.24 3.88 3.74 -1.84 0.00 -0.64 -4.87 105.19 105.70 2b54 n GLY 43 Ca 0.08 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2b54 n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b54 s VAL 44 N -0.03 4.19 0.02 1.61 -7.23 -1.05 -4.53 120.40 113.38 2b54 s VAL 44 Ca 0.00 1.93 -0.39 0.00 -1.81 0.00 0.00 61.98 61.72 2b54 s VAL 44 Cb 0.00 -4.23 -0.18 0.00 0.56 0.00 0.00 36.38 32.52 2b54 s VAL 44 CO 0.00 0.35 1.24 -2.65 -0.31 0.00 0.00 175.10 173.73 2b54 n PRO 45 N 2.30 0.61 -0.21 4.82 -0.02 -1.26 -4.81 135.00 136.43 2b54 n PRO 45 Ca 0.01 0.22 0.31 0.00 -2.02 0.00 0.00 63.50 62.02 2b54 n PRO 45 Cb 0.48 -1.80 0.69 0.00 -0.02 0.00 0.00 33.50 32.85 2b54 n PRO 45 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2b54 h SER 46 N 3.96 0.00 0.25 2.55 4.64 -2.00 0.43 113.55 123.39 2b54 h SER 46 Ca -0.49 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.49 2b54 h SER 46 Cb 1.38 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.51 2b54 h SER 46 CO 0.73 0.00 -1.49 0.71 -0.87 0.00 0.00 176.83 175.91 2b54 h THR 47 N 0.00 1.26 -0.04 2.95 1.35 -1.98 -2.43 112.91 114.01 2b54 h THR 47 Ca 0.47 -2.68 0.01 0.00 -0.55 0.00 0.00 66.41 63.66 2b54 h THR 47 Cb 2.20 3.03 -0.01 0.00 -1.73 0.00 0.00 68.15 71.64 2b54 h THR 47 CO -0.00 0.81 -0.04 0.00 -0.25 0.00 0.00 175.52 176.04 2b54 h ALA 48 N 0.14 -0.00 -0.93 6.62 0.00 -0.43 0.11 119.26 124.77 2b54 h ALA 48 Ca -0.26 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2b54 h ALA 48 Cb 2.16 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.96 2b54 h ALA 48 CO 0.27 -0.52 0.60 0.97 0.00 0.00 0.00 179.25 180.57 2b54 h ILE 49 N -0.05 0.96 -0.14 0.00 6.09 -1.50 0.14 117.51 123.01 2b54 h ILE 49 Ca 0.03 -0.32 -0.18 0.00 -1.37 0.00 0.00 64.86 63.02 2b54 h ILE 49 Cb 0.10 -0.05 0.01 0.00 0.47 0.00 0.00 36.82 37.34 2b54 h ILE 49 CO -0.07 0.17 -0.62 0.03 -3.07 0.00 0.00 178.15 174.59 2b54 h ARG 50 N 0.92 0.66 -0.38 2.19 3.08 -0.91 -0.83 114.38 119.12 2b54 h ARG 50 Ca 0.44 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2b54 h ARG 50 Cb 0.43 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2b54 h ARG 50 CO -0.20 1.15 0.13 0.93 -1.07 0.00 0.00 179.97 180.91 2b54 h GLU 51 N 0.34 0.59 -0.67 0.04 4.39 -0.50 -1.83 114.58 116.93 2b54 h GLU 51 Ca -0.04 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 59.63 2b54 h GLU 51 Cb 1.25 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 2b54 h GLU 51 CO 0.13 0.58 0.45 0.97 -1.16 0.00 0.00 179.01 179.98 2b54 h ILE 52 N 0.47 0.93 0.00 3.13 6.09 -0.99 -1.93 117.51 125.21 2b54 h ILE 52 Ca 0.12 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 2b54 h ILE 52 Cb 0.23 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 37.85 2b54 h ILE 52 CO -0.01 0.10 -0.05 0.28 -3.07 0.00 0.00 178.15 175.40 2b54 h SER 53 N 0.56 0.00 -0.16 2.19 0.02 -0.29 -2.15 113.55 113.72 2b54 h SER 53 Ca 0.31 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 2b54 h SER 53 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2b54 h SER 53 CO -0.10 0.05 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.30 2b54 h LEU 54 N 0.00 0.51 -1.06 5.07 -0.00 -1.05 -3.26 115.31 115.52 2b54 h LEU 54 Ca -0.00 -0.54 0.34 0.00 -0.00 0.00 0.00 57.88 57.68 2b54 h LEU 54 Cb 0.40 -0.15 -0.15 0.00 -0.00 0.00 0.00 40.66 40.77 2b54 h LEU 54 CO 0.01 0.95 0.60 -0.07 -0.00 0.00 0.00 178.44 179.93 2b54 h LEU 55 N 0.09 0.47 -1.89 1.67 -0.00 -1.32 0.13 115.31 114.46 2b54 h LEU 55 Ca 0.01 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2b54 h LEU 55 Cb 0.85 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 2b54 h LEU 55 CO 0.06 -0.16 0.30 0.11 -0.00 0.00 0.00 178.44 178.75 2b54 h LYS 56 N 0.27 0.00 0.00 1.13 1.79 -1.60 -2.48 116.57 115.68 2b54 h LYS 56 Ca 0.75 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.84 2b54 h LYS 56 Cb 1.81 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.40 2b54 h LYS 56 CO -0.59 0.00 -2.43 0.39 -1.08 0.00 0.00 179.45 175.74 2b54 n GLU 57 N -2.77 0.67 -1.55 3.15 4.71 0.03 -4.75 120.64 120.12 2b54 n GLU 57 Ca -0.02 0.10 -0.26 0.00 -0.01 0.00 0.00 57.16 56.97 2b54 n GLU 57 Cb 0.35 -1.51 -0.09 0.00 -1.01 0.00 0.00 31.44 29.17 2b54 n GLU 57 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2b54 n LEU 58 N -3.09 2.15 -4.46 -4.62 -0.00 -0.93 -4.94 117.00 101.11 2b54 n LEU 58 Ca -0.41 -2.63 -0.34 0.00 -0.00 0.00 0.00 56.01 52.63 2b54 n LEU 58 Cb 1.03 -1.50 -0.13 0.00 -0.00 0.00 0.00 43.42 42.82 2b54 n LEU 58 CO 0.31 -2.49 -0.36 0.20 -0.00 0.00 0.00 177.39 175.05 2b54 s ASN 59 N 7.27 4.69 -0.05 1.96 0.01 -1.26 -4.94 114.94 122.63 2b54 s ASN 59 Ca 0.73 -0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 52.59 2b54 s ASN 59 Cb 0.01 -1.77 0.02 0.00 0.41 0.00 0.00 41.25 39.92 2b54 s ASN 59 CO 0.19 0.13 0.26 -2.28 -1.51 0.00 0.00 177.10 173.89 2b54 s HIS 60 N 0.59 -0.19 0.52 2.20 2.46 -1.26 -5.05 115.29 114.56 2b54 s HIS 60 Ca -0.03 0.39 0.27 0.00 0.47 0.00 0.00 55.06 56.16 2b54 s HIS 60 Cb -0.14 0.07 1.39 0.00 -0.13 0.00 0.00 32.58 33.77 2b54 s HIS 60 CO 0.03 -0.26 1.93 -1.00 -2.47 0.00 0.00 174.74 172.97 2b54 h PRO 61 N 4.75 0.05 -0.42 2.88 0.13 -2.00 -2.33 132.00 135.06 2b54 h PRO 61 Ca -0.28 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2b54 h PRO 61 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2b54 h PRO 61 CO 0.37 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.27 2b54 n ASN 62 N -4.34 4.67 -4.50 1.44 4.13 -1.26 -4.84 115.26 110.56 2b54 n ASN 62 Ca 0.15 -2.92 -0.33 0.00 1.68 0.00 0.00 54.58 53.15 2b54 n ASN 62 Cb 0.77 -0.59 -0.12 0.00 -1.54 0.00 0.00 39.78 38.29 2b54 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2b54 s ILE 63 N -2.69 3.50 0.08 2.41 1.01 -0.88 -0.94 121.20 123.69 2b54 s ILE 63 Ca 0.47 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 2b54 s ILE 63 Cb 0.36 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 2b54 s ILE 63 CO 0.13 0.56 1.50 0.68 0.00 0.00 0.00 174.94 177.80 2b54 s VAL 64 N -0.28 3.23 0.18 2.92 -7.23 -0.75 -4.55 120.40 113.92 2b54 s VAL 64 Ca 0.03 0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 60.66 2b54 s VAL 64 Cb -0.13 -3.50 -0.10 0.00 0.56 0.00 0.00 36.38 33.22 2b54 s VAL 64 CO 0.03 0.03 1.55 -0.75 -0.31 0.00 0.00 175.10 175.64 2b54 s LYS 65 N 1.91 4.22 -0.69 4.82 2.20 -1.26 -4.86 119.74 126.07 2b54 s LYS 65 Ca 0.68 2.36 -0.27 0.00 -0.36 0.00 0.00 55.97 58.38 2b54 s LYS 65 Cb -0.37 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 2b54 s LYS 65 CO 0.30 -0.58 1.23 -1.17 -0.36 0.00 0.00 175.35 174.77 2b54 s LEU 66 N 0.91 3.33 -0.14 5.43 0.20 -1.26 -1.00 118.68 126.16 2b54 s LEU 66 Ca 0.69 -0.35 -0.20 0.00 0.69 0.00 0.00 54.13 54.95 2b54 s LEU 66 Cb -0.44 -2.70 -0.18 0.00 -0.43 0.00 0.00 46.19 42.45 2b54 s LEU 66 CO 0.33 -1.71 0.46 -0.07 -0.29 0.00 0.00 176.35 175.07 2b54 h LEU 67 N 12.61 0.00 -8.81 -0.68 3.38 0.15 -3.44 115.31 118.51 2b54 h LEU 67 Ca -0.27 -0.65 -0.42 0.00 0.09 0.00 0.00 57.88 56.63 2b54 h LEU 67 Cb 1.05 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 2b54 h LEU 67 CO 1.25 0.95 -0.44 -1.81 0.09 0.00 0.00 178.44 178.48 2b54 s ASP 68 N -6.14 1.42 -0.40 -0.43 1.11 -0.63 -5.00 116.67 106.60 2b54 s ASP 68 Ca -0.16 -1.68 0.03 0.00 0.18 0.00 0.00 52.55 50.92 2b54 s ASP 68 Cb -0.01 0.56 0.16 0.00 1.07 0.00 0.00 42.92 44.71 2b54 s ASP 68 CO 0.50 -1.09 0.37 -0.69 1.18 0.00 0.00 175.17 175.43 2b54 s VAL 69 N -3.42 0.01 -0.65 -1.27 1.01 -1.26 0.03 120.40 114.85 2b54 s VAL 69 Ca 0.39 -1.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.14 2b54 s VAL 69 Cb 0.02 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.45 2b54 s VAL 69 CO 0.25 -0.92 1.43 -0.63 0.00 0.00 0.00 175.10 175.23 2b54 s ILE 70 N 0.61 3.69 -0.50 2.22 1.01 -0.32 -4.95 121.20 122.96 2b54 s ILE 70 Ca 0.27 0.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.24 2b54 s ILE 70 Cb -0.06 -4.56 0.09 0.00 0.01 0.00 0.00 42.46 37.95 2b54 s ILE 70 CO -0.11 -1.41 0.46 -2.28 0.00 0.00 0.00 174.94 171.60 2b54 s HIS 71 N 6.45 3.22 -0.15 3.97 2.46 -1.26 -1.97 115.29 128.00 2b54 s HIS 71 Ca 0.48 -1.00 -0.28 0.00 0.47 0.00 0.00 55.06 54.72 2b54 s HIS 71 Cb -0.10 -3.43 0.08 0.00 -0.13 0.00 0.00 32.58 29.01 2b54 s HIS 71 CO 0.20 -0.91 0.77 -0.08 -2.47 0.00 0.00 174.74 172.25 2b54 s THR 72 N 1.77 0.00 -1.28 0.89 -1.32 -0.96 -4.90 115.64 109.83 2b54 s THR 72 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2b54 s THR 72 Cb -0.26 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 2b54 s THR 72 CO 0.06 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.85 2b54 n GLU 73 N 1.55 -1.24 -1.33 7.08 1.02 -1.26 -0.70 120.64 125.76 2b54 n GLU 73 Ca -0.16 0.90 -0.12 0.00 -0.02 0.00 0.00 57.16 57.76 2b54 n GLU 73 Cb 0.56 -5.08 -0.05 0.00 -0.02 0.00 0.00 31.44 26.85 2b54 n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2b54 n ASN 74 N -0.67 -5.53 -4.97 1.62 3.02 -1.26 -4.92 115.26 102.54 2b54 n ASN 74 Ca -0.12 0.29 -0.21 0.00 -0.03 0.00 0.00 54.58 54.52 2b54 n ASN 74 Cb 0.50 -4.17 -0.02 0.00 -0.61 0.00 0.00 39.78 35.48 2b54 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2b54 s LYS 75 N -2.97 3.36 -0.10 3.52 -0.14 0.12 -2.49 119.74 121.04 2b54 s LYS 75 Ca 0.00 -0.81 0.01 0.00 -1.36 0.00 0.00 55.97 53.81 2b54 s LYS 75 Cb 0.00 -2.87 0.02 0.00 -1.68 0.00 0.00 37.83 33.30 2b54 s LYS 75 CO 0.00 0.33 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.64 2b54 s LEU 76 N -4.03 1.51 -0.01 3.17 2.96 -1.26 -2.27 118.68 118.74 2b54 s LEU 76 Ca 0.37 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 2b54 s LEU 76 Cb -0.09 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.68 2b54 s LEU 76 CO 0.30 -0.03 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.98 2b54 s TYR 77 N 1.18 0.14 -0.09 5.38 2.02 -0.83 -2.00 117.35 123.15 2b54 s TYR 77 Ca -0.04 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 2b54 s TYR 77 Cb -0.14 -0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.23 2b54 s TYR 77 CO -0.03 -0.05 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.17 2b54 s LEU 78 N 0.44 2.03 -0.28 -1.29 1.02 -0.47 -1.18 118.68 118.95 2b54 s LEU 78 Ca -0.04 -0.52 0.03 0.00 0.02 0.00 0.00 54.13 53.63 2b54 s LEU 78 Cb -0.06 -1.32 0.07 0.00 0.02 0.00 0.00 46.19 44.90 2b54 s LEU 78 CO -0.01 0.15 -0.07 0.68 0.02 0.00 0.00 176.35 177.13 2b54 s VAL 79 N 0.32 2.17 0.28 -1.59 -7.23 0.10 -0.48 120.40 113.97 2b54 s VAL 79 Ca -0.16 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2b54 s VAL 79 Cb -0.17 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2b54 s VAL 79 CO 0.08 -0.18 0.42 -0.36 -0.31 0.00 0.00 175.10 174.74 2b54 s PHE 80 N 1.06 3.42 0.50 2.82 0.40 0.14 0.17 117.98 126.50 2b54 s PHE 80 Ca -0.04 0.04 -0.21 0.00 -0.60 0.00 0.00 56.93 56.12 2b54 s PHE 80 Cb -0.20 -1.70 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 2b54 s PHE 80 CO -0.06 0.31 1.17 -1.83 0.70 0.00 0.00 175.22 175.51 2b54 s GLU 81 N -4.08 3.53 0.07 0.44 -1.05 -0.17 -0.93 118.70 116.50 2b54 s GLU 81 Ca 0.37 1.74 -0.25 0.00 -0.15 0.00 0.00 54.97 56.68 2b54 s GLU 81 Cb -0.09 -2.22 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 2b54 s GLU 81 CO 0.31 -0.74 0.77 0.12 0.95 0.00 0.00 175.26 176.67 2b54 s PHE 82 N -1.62 3.78 -0.00 4.83 5.36 -1.26 -4.41 117.98 124.66 2b54 s PHE 82 Ca 0.68 1.51 0.07 0.00 -0.96 0.00 0.00 56.93 58.23 2b54 s PHE 82 Cb -0.28 -2.81 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 2b54 s PHE 82 CO 0.32 0.33 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.69 2b54 s LEU 83 N -0.31 2.07 0.25 6.12 1.43 -1.26 -4.99 118.68 121.99 2b54 s LEU 83 Ca 0.38 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 2b54 s LEU 83 Cb -0.21 -1.06 0.30 0.00 0.03 0.00 0.00 46.19 45.25 2b54 s LEU 83 CO 0.24 0.24 1.65 0.45 0.23 0.00 0.00 176.35 179.15 2b54 h HIS 84 N 5.45 0.58 -3.99 0.29 3.86 -1.99 -3.45 115.15 115.90 2b54 h HIS 84 Ca -0.40 -0.15 -0.42 0.00 -1.16 0.00 0.00 60.37 58.23 2b54 h HIS 84 Cb 1.14 -0.13 -0.23 0.00 1.06 0.00 0.00 27.41 29.25 2b54 h HIS 84 CO 0.42 0.79 -0.79 -1.14 0.86 0.00 0.00 177.93 178.07 2b54 s GLN 85 N -4.31 0.87 0.45 2.45 0.74 -1.18 -5.04 119.66 113.64 2b54 s GLN 85 Ca -0.07 -0.84 0.01 0.00 0.05 0.00 0.00 55.36 54.52 2b54 s GLN 85 Cb 0.13 -0.87 0.00 0.00 1.10 0.00 0.00 33.01 33.37 2b54 s GLN 85 CO 0.81 0.21 0.66 0.16 -0.55 0.00 0.00 175.29 176.58 2b54 s ASP 86 N -1.40 5.74 0.48 6.67 -4.77 -1.26 -0.65 116.67 121.47 2b54 s ASP 86 Ca -0.00 0.16 0.27 0.00 -3.30 0.00 0.00 52.55 49.68 2b54 s ASP 86 Cb -0.09 -1.35 0.95 0.00 -1.09 0.00 0.00 42.92 41.34 2b54 s ASP 86 CO 0.02 -0.75 1.83 0.25 0.70 0.00 0.00 175.17 177.22 2b54 h LEU 87 N 0.40 0.00 -0.58 2.11 5.85 -0.26 -2.97 115.31 119.87 2b54 h LEU 87 Ca -0.45 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 2b54 h LEU 87 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2b54 h LEU 87 CO 0.55 0.11 0.13 0.50 -0.34 0.00 0.00 178.44 179.39 2b54 h LYS 88 N 0.00 0.93 -0.12 1.25 3.11 -1.75 -1.24 116.57 118.74 2b54 h LYS 88 Ca -0.00 -0.23 -0.09 0.00 -2.81 0.00 0.00 60.65 57.52 2b54 h LYS 88 Cb 0.73 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2b54 h LYS 88 CO 0.01 0.87 -0.34 -0.22 -2.81 0.00 0.00 179.45 176.96 2b54 h LYS 89 N 0.83 0.25 0.10 1.90 1.63 -1.86 -0.07 116.57 119.35 2b54 h LYS 89 Ca 0.18 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2b54 h LYS 89 Cb 0.36 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2b54 h LYS 89 CO 0.00 0.56 -0.05 0.35 -3.45 0.00 0.00 179.45 176.87 2b54 h PHE 90 N 0.22 -0.12 -0.59 1.91 -0.00 -1.48 -0.78 116.94 116.10 2b54 h PHE 90 Ca 0.03 -0.00 0.12 0.00 -0.00 0.00 0.00 57.97 58.11 2b54 h PHE 90 Cb 0.70 0.04 -0.10 0.00 -0.00 0.00 0.00 35.95 36.59 2b54 h PHE 90 CO 0.01 0.32 -0.06 0.52 -0.00 0.00 0.00 178.31 179.10 2b54 h MET 91 N -0.62 0.07 -0.43 1.11 2.86 -0.96 0.21 114.93 117.17 2b54 h MET 91 Ca -0.01 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2b54 h MET 91 Cb 0.50 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 2b54 h MET 91 CO 0.02 0.04 0.30 -0.44 1.06 0.00 0.00 176.91 177.89 2b54 h ASP 92 N 0.07 0.15 1.58 1.22 5.19 -0.85 -1.38 116.42 122.41 2b54 h ASP 92 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2b54 h ASP 92 Cb 0.47 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.95 2b54 h ASP 92 CO -0.54 0.09 -0.36 0.00 -3.12 0.00 0.00 179.24 175.31 2b54 h ALA 93 N 1.78 0.81 -0.40 3.45 0.00 -0.22 -3.29 119.26 121.40 2b54 h ALA 93 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2b54 h ALA 93 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2b54 h ALA 93 CO -0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.65 2b54 n SER 94 N -2.86 3.05 -0.36 0.00 7.64 0.66 -4.78 113.62 116.97 2b54 n SER 94 Ca 0.03 -1.94 0.03 0.00 1.01 0.00 0.00 58.87 57.99 2b54 n SER 94 Cb 0.53 -0.26 0.18 0.00 -1.01 0.00 0.00 64.21 63.65 2b54 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2b54 h ALA 95 N 4.32 1.41 0.00 -0.43 0.00 -1.55 0.04 119.26 123.05 2b54 h ALA 95 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2b54 h ALA 95 Cb 0.84 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2b54 h ALA 95 CO 0.00 0.44 -0.65 1.37 0.00 0.00 0.00 179.25 180.41 2b54 h LEU 96 N 1.17 0.00 0.07 0.00 8.10 -1.89 -3.33 115.31 119.43 2b54 h LEU 96 Ca 0.43 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 58.08 2b54 h LEU 96 Cb 0.17 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.35 2b54 h LEU 96 CO -0.17 0.65 -1.92 0.35 -4.11 0.00 0.00 178.44 173.23 2b54 n THR 97 N -3.49 1.69 0.00 0.15 -2.24 -1.11 -5.14 114.28 104.15 2b54 n THR 97 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 2b54 n THR 97 Cb 0.71 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 2b54 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b54 n GLY 98 N 1.83 0.99 3.74 3.38 0.00 -0.02 -4.97 105.19 110.14 2b54 n GLY 98 Ca -0.27 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2b54 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b54 s ILE 99 N -2.66 4.42 0.22 -0.61 1.01 -1.26 -4.91 121.20 117.41 2b54 s ILE 99 Ca 0.00 2.01 -0.32 0.00 0.00 0.00 0.00 60.65 62.34 2b54 s ILE 99 Cb 0.00 -4.29 -0.12 0.00 0.01 0.00 0.00 42.46 38.05 2b54 s ILE 99 CO 0.00 0.38 1.64 -0.81 0.00 0.00 0.00 174.94 176.15 2b54 n PRO 100 N 2.41 2.59 -0.23 2.79 -0.04 -1.26 -4.79 135.00 136.47 2b54 n PRO 100 Ca 0.00 0.93 -0.05 0.00 -0.04 0.00 0.00 63.50 64.34 2b54 n PRO 100 Cb 0.49 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 2b54 n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2b54 n LEU 101 N 3.31 -0.55 0.07 1.53 0.00 -1.26 0.05 117.00 120.15 2b54 n LEU 101 Ca 0.14 0.98 0.20 0.00 0.00 0.00 0.00 56.01 57.32 2b54 n LEU 101 Cb 0.34 -0.14 0.74 0.00 0.00 0.00 0.00 43.42 44.36 2b54 n LEU 101 CO 0.64 -0.81 1.18 -0.65 0.00 0.00 0.00 177.39 177.74 2b54 h PRO 102 N 0.00 0.00 0.02 1.96 0.11 -1.99 0.14 132.00 132.25 2b54 h PRO 102 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2b54 h PRO 102 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 2b54 h PRO 102 CO -0.52 0.00 -0.01 1.25 -0.21 0.00 0.00 178.00 178.51 2b54 h LEU 103 N 0.00 -0.02 -0.76 2.35 6.46 -0.75 -2.46 115.31 120.13 2b54 h LEU 103 Ca 0.20 -0.65 0.14 0.00 -0.12 0.00 0.00 57.88 57.44 2b54 h LEU 103 Cb 0.93 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.73 2b54 h LEU 103 CO -0.00 0.79 -0.24 -0.38 -0.62 0.00 0.00 178.44 177.98 2b54 n ILE 104 N -4.69 -0.36 -0.32 4.05 5.41 -0.74 0.22 119.36 122.93 2b54 n ILE 104 Ca -0.07 1.77 -0.04 0.00 1.00 0.00 0.00 62.75 65.40 2b54 n ILE 104 Cb 0.32 -2.39 0.08 0.00 -0.71 0.00 0.00 39.64 36.94 2b54 n ILE 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2b54 h LYS 105 N 0.00 1.20 -0.15 0.38 3.64 -0.70 -1.17 116.57 119.76 2b54 h LYS 105 Ca 0.32 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2b54 h LYS 105 Cb 0.51 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2b54 h LYS 105 CO -0.77 0.89 -0.13 1.03 -2.27 0.00 0.00 179.45 178.20 2b54 h SER 106 N 1.20 0.38 -0.46 4.20 0.87 -0.81 -0.21 113.55 118.72 2b54 h SER 106 Ca 0.30 -0.46 0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2b54 h SER 106 Cb 0.05 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 2b54 h SER 106 CO -0.05 0.76 0.11 1.88 -0.53 0.00 0.00 176.83 179.00 2b54 h TYR 107 N 0.00 0.18 -0.83 2.24 0.05 -0.04 -2.07 116.97 116.49 2b54 h TYR 107 Ca 0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2b54 h TYR 107 Cb 0.64 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 2b54 h TYR 107 CO 0.08 0.02 0.46 1.25 -1.05 0.00 0.00 178.16 178.92 2b54 h LEU 108 N 0.25 1.03 -0.28 3.88 6.46 -1.15 -0.63 115.31 124.87 2b54 h LEU 108 Ca 0.23 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2b54 h LEU 108 Cb 0.28 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2b54 h LEU 108 CO -0.28 0.83 0.12 0.15 -0.62 0.00 0.00 178.44 178.64 2b54 h PHE 109 N 1.15 0.42 -0.34 1.25 -0.00 -0.44 -1.33 116.94 117.66 2b54 h PHE 109 Ca 0.29 -0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.21 2b54 h PHE 109 Cb 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 35.83 2b54 h PHE 109 CO 0.00 0.40 0.09 1.96 -0.00 0.00 0.00 178.31 180.77 2b54 h GLN 110 N 0.31 0.54 -0.67 1.11 4.20 -1.32 -2.41 115.11 116.87 2b54 h GLN 110 Ca 0.10 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.72 2b54 h GLN 110 Cb 0.15 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2b54 h GLN 110 CO -0.01 0.59 0.41 -0.07 -0.67 0.00 0.00 178.83 179.07 2b54 h LEU 111 N 0.39 0.66 -0.52 1.46 4.07 -1.02 -2.34 115.31 118.00 2b54 h LEU 111 Ca 0.11 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.12 2b54 h LEU 111 Cb 0.29 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 2b54 h LEU 111 CO -0.00 0.45 0.27 -0.07 -1.08 0.00 0.00 178.44 178.00 2b54 h LEU 112 N 0.79 0.38 -0.69 1.67 -0.00 -1.18 -1.50 115.31 114.78 2b54 h LEU 112 Ca 0.28 0.03 0.13 0.00 -0.00 0.00 0.00 57.88 58.31 2b54 h LEU 112 Cb 0.06 -0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.58 2b54 h LEU 112 CO -0.12 0.26 0.23 -0.61 -0.00 0.00 0.00 178.44 178.20 2b54 h GLN 113 N 0.52 0.36 -0.05 1.13 4.15 -1.21 0.22 115.11 120.23 2b54 h GLN 113 Ca 0.23 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 2b54 h GLN 113 Cb 0.14 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 27.75 2b54 h GLN 113 CO -0.16 0.24 -0.41 0.78 -1.93 0.00 0.00 178.83 177.35 2b54 h GLY 114 N 0.37 0.40 0.17 2.39 0.00 -1.10 -1.92 103.07 103.38 2b54 h GLY 114 Ca 0.37 -0.61 0.19 0.00 0.00 0.00 0.00 47.33 47.28 2b54 h GLY 114 CO -0.40 0.54 0.61 1.41 0.00 0.00 0.00 176.54 178.70 2b54 h LEU 115 N -0.16 0.77 0.37 3.11 3.38 -1.19 0.15 115.31 121.74 2b54 h LEU 115 Ca -0.04 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2b54 h LEU 115 Cb 1.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2b54 h LEU 115 CO 0.08 0.29 -0.18 0.00 0.09 0.00 0.00 178.44 178.73 2b54 h ALA 116 N 1.63 -0.49 -0.61 1.53 0.00 -0.45 -0.06 119.26 120.80 2b54 h ALA 116 Ca 0.56 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.43 2b54 h ALA 116 Cb 0.88 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2b54 h ALA 116 CO -0.36 -0.77 -0.54 0.35 0.00 0.00 0.00 179.25 177.94 2b54 h PHE 117 N -0.51 -1.66 -0.29 0.00 3.04 -0.72 -0.06 116.94 116.74 2b54 h PHE 117 Ca -0.05 0.10 0.05 0.00 3.98 0.00 0.00 57.97 62.04 2b54 h PHE 117 Cb 0.39 0.81 -0.05 0.00 2.56 0.00 0.00 35.95 39.66 2b54 h PHE 117 CO -0.05 -0.44 0.01 0.00 -2.02 0.00 0.00 178.31 175.81 2b54 h HIS 119 N 0.10 0.63 -0.68 0.00 3.86 -0.66 -1.35 115.15 117.05 2b54 h HIS 119 Ca 0.14 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2b54 h HIS 119 Cb 0.18 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 2b54 h HIS 119 CO -0.21 0.28 0.45 0.77 0.86 0.00 0.00 177.93 180.08 2b54 h SER 120 N 0.57 0.79 -0.00 2.45 0.02 -0.51 -0.95 113.55 115.91 2b54 h SER 120 Ca 0.35 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2b54 h SER 120 Cb 0.57 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2b54 h SER 120 CO -0.12 0.57 0.00 1.41 -1.14 0.00 0.00 176.83 177.55 2b54 n HIS 121 N -4.61 0.01 -3.20 3.45 -0.00 -0.89 -4.90 115.22 105.08 2b54 n HIS 121 Ca 0.06 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.55 2b54 n HIS 121 Cb 0.02 -0.03 0.02 0.00 -0.00 0.00 0.00 29.99 29.99 2b54 n HIS 121 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2b54 n ARG 122 N -0.33 -4.18 -4.72 -0.41 5.12 -0.36 -4.98 116.66 106.81 2b54 n ARG 122 Ca 0.00 0.69 -0.33 0.00 -1.93 0.00 0.00 57.85 56.28 2b54 n ARG 122 Cb 0.09 -5.47 -0.14 0.00 -1.16 0.00 0.00 32.46 25.77 2b54 n ARG 122 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2b54 s VAL 123 N -3.05 3.02 0.32 1.55 0.11 -0.56 -4.97 120.40 116.81 2b54 s VAL 123 Ca 0.36 -0.67 0.08 0.00 -2.93 0.00 0.00 61.98 58.81 2b54 s VAL 123 Cb -0.17 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 2b54 s VAL 123 CO 0.44 0.52 0.22 -1.48 -3.33 0.00 0.00 175.10 171.47 2b54 s LEU 124 N 0.45 3.54 -0.02 2.54 2.34 -1.26 -3.36 118.68 122.89 2b54 s LEU 124 Ca -0.10 -0.52 -0.02 0.00 0.06 0.00 0.00 54.13 53.56 2b54 s LEU 124 Cb -0.16 -2.10 -0.01 0.00 -0.56 0.00 0.00 46.19 43.36 2b54 s LEU 124 CO 0.05 -0.25 0.17 -0.74 -1.06 0.00 0.00 176.35 174.51 2b54 h HIS 125 N 1.41 -0.06 0.00 3.48 -0.00 -1.95 -3.25 115.15 114.78 2b54 h HIS 125 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2b54 h HIS 125 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 2b54 h HIS 125 CO 0.57 -0.04 0.00 -2.13 -0.00 0.00 0.00 177.93 176.33 2b54 n ARG 126 N -2.92 0.00 -3.09 5.26 0.63 -1.26 -4.32 116.66 110.96 2b54 n ARG 126 Ca -0.01 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.75 2b54 n ARG 126 Cb 0.02 -0.07 -0.02 0.00 0.45 0.00 0.00 32.46 32.84 2b54 n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2b54 n ASP 127 N 0.32 1.08 -4.72 6.15 4.64 -1.26 -5.03 116.55 117.73 2b54 n ASP 127 Ca 0.00 -2.99 -0.42 0.00 -1.38 0.00 0.00 54.79 50.01 2b54 n ASP 127 Cb 0.00 -0.60 -0.03 0.00 -1.04 0.00 0.00 41.12 39.45 2b54 n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2b54 s LEU 128 N -2.59 4.38 0.07 -2.67 1.02 -1.26 -4.95 118.68 112.68 2b54 s LEU 128 Ca 0.38 2.31 -0.18 0.00 0.02 0.00 0.00 54.13 56.66 2b54 s LEU 128 Cb 0.37 -3.59 0.04 0.00 0.02 0.00 0.00 46.19 43.02 2b54 s LEU 128 CO -0.06 -0.59 0.42 -1.59 0.02 0.00 0.00 176.35 174.55 2b54 s LYS 129 N 0.73 0.97 0.49 1.70 -2.85 -1.26 -4.85 119.74 114.68 2b54 s LYS 129 Ca 0.61 -0.45 0.20 0.00 -1.00 0.00 0.00 55.97 55.34 2b54 s LYS 129 Cb -0.36 0.43 1.25 0.00 -2.06 0.00 0.00 37.83 37.09 2b54 s LYS 129 CO 0.32 -0.35 2.00 -1.35 0.10 0.00 0.00 175.35 176.08 2b54 h PRO 130 N 2.80 0.15 0.00 1.78 0.11 -1.95 -1.74 132.00 133.15 2b54 h PRO 130 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2b54 h PRO 130 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2b54 h PRO 130 CO 0.44 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 2b54 n GLN 131 N -4.43 0.17 -0.91 1.05 3.00 -1.26 -2.12 117.38 112.88 2b54 n GLN 131 Ca 0.09 0.42 -0.09 0.00 -0.01 0.00 0.00 57.00 57.41 2b54 n GLN 131 Cb 0.47 -1.84 0.20 0.00 0.00 0.00 0.00 30.24 29.07 2b54 n GLN 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2b54 n ASN 132 N -2.15 2.79 -4.25 1.08 3.02 -0.65 -4.86 115.26 110.23 2b54 n ASN 132 Ca 0.02 -3.74 -0.33 0.00 -0.03 0.00 0.00 54.58 50.50 2b54 n ASN 132 Cb 0.21 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.54 2b54 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b54 s LEU 133 N -3.26 2.39 -0.06 3.41 1.43 -0.90 -1.25 118.68 120.44 2b54 s LEU 133 Ca 0.48 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2b54 s LEU 133 Cb 0.42 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 45.13 2b54 s LEU 133 CO 0.02 0.09 -0.08 -0.22 0.23 0.00 0.00 176.35 176.39 2b54 s LEU 134 N 0.79 1.44 0.30 1.79 2.96 0.34 0.14 118.68 126.44 2b54 s LEU 134 Ca -0.06 -0.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.74 2b54 s LEU 134 Cb -0.15 -0.64 -0.06 0.00 0.50 0.00 0.00 46.19 45.84 2b54 s LEU 134 CO -0.00 -0.02 -0.15 0.27 -1.32 0.00 0.00 176.35 175.12 2b54 s ILE 135 N 0.88 2.33 0.31 6.68 -4.36 0.17 0.31 121.20 127.53 2b54 s ILE 135 Ca -0.11 -2.32 0.03 0.00 -0.26 0.00 0.00 60.65 57.99 2b54 s ILE 135 Cb -0.15 -2.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.09 2b54 s ILE 135 CO 0.01 -0.33 0.09 0.54 0.24 0.00 0.00 174.94 175.49 2b54 s ASN 136 N -3.53 1.95 0.00 4.36 2.20 -0.41 -3.09 114.94 116.41 2b54 s ASN 136 Ca 0.31 -1.44 0.12 0.00 -0.94 0.00 0.00 52.86 50.91 2b54 s ASN 136 Cb -0.02 0.12 0.58 0.00 -2.00 0.00 0.00 41.25 39.94 2b54 s ASN 136 CO 0.15 -0.72 1.33 0.35 -2.94 0.00 0.00 177.10 175.27 2b54 n THR 137 N -0.63 0.86 -0.32 0.54 -2.24 -1.26 -2.79 114.28 108.44 2b54 n THR 137 Ca -0.02 0.22 0.10 0.00 -2.27 0.00 0.00 64.05 62.08 2b54 n THR 137 Cb 0.66 -1.01 0.28 0.00 -2.10 0.00 0.00 70.33 68.16 2b54 n THR 137 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2b54 n GLU 138 N -1.36 2.77 -1.68 -0.78 2.13 -1.26 -4.61 120.64 115.84 2b54 n GLU 138 Ca 0.05 -2.51 0.00 0.00 0.66 0.00 0.00 57.16 55.36 2b54 n GLU 138 Cb 0.11 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.33 2b54 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b54 n GLY 139 N 1.36 0.87 3.22 8.31 0.00 -1.12 -4.89 105.19 112.94 2b54 n GLY 139 Ca 0.21 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2b54 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b54 s ALA 140 N -2.36 1.25 -0.23 4.61 0.00 -1.25 -4.83 121.76 118.95 2b54 s ALA 140 Ca 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 2b54 s ALA 140 Cb 0.00 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.88 2b54 s ALA 140 CO 0.00 -0.38 0.58 -1.50 0.00 0.00 0.00 175.76 174.46 2b54 s ILE 141 N -3.78 -0.01 0.06 0.00 2.07 -1.26 -1.29 121.20 116.99 2b54 s ILE 141 Ca 0.25 0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2b54 s ILE 141 Cb 0.07 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 2b54 s ILE 141 CO 0.04 0.01 -0.04 -0.54 -1.91 0.00 0.00 174.94 172.51 2b54 s LYS 142 N 1.16 0.63 -0.09 3.50 1.02 0.15 -4.67 119.74 121.44 2b54 s LYS 142 Ca -0.07 -1.21 -0.22 0.00 0.02 0.00 0.00 55.97 54.50 2b54 s LYS 142 Cb -0.06 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.35 2b54 s LYS 142 CO -0.11 -0.09 0.62 -0.51 -0.92 0.00 0.00 175.35 174.34 2b54 s LEU 143 N -2.87 4.29 0.06 3.17 1.43 -0.11 -0.51 118.68 124.15 2b54 s LEU 143 Ca 0.07 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 2b54 s LEU 143 Cb 0.07 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2b54 s LEU 143 CO -0.09 -0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.41 2b54 s ALA 144 N 0.82 3.33 -1.47 4.21 0.00 -0.38 -1.80 121.76 126.46 2b54 s ALA 144 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2b54 s ALA 144 Cb -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.69 2b54 s ALA 144 CO 0.15 0.69 0.00 -0.25 0.00 0.00 0.00 175.76 176.35 2b54 n ASP 145 N 0.78 -4.77 -4.70 0.00 8.00 -1.26 -4.90 116.55 109.70 2b54 n ASP 145 Ca -0.11 0.15 -0.44 0.00 0.71 0.00 0.00 54.79 55.10 2b54 n ASP 145 Cb 0.52 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.79 2b54 n ASP 145 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2b54 n PHE 146 N -3.42 2.56 0.00 1.24 -0.00 -1.26 -2.84 117.46 113.75 2b54 n PHE 146 Ca -0.17 0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 2b54 n PHE 146 Cb 0.59 -2.62 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 2b54 n PHE 146 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2b54 n GLY 147 N 3.68 1.21 0.28 7.13 0.00 -1.23 -4.65 105.19 111.61 2b54 n GLY 147 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2b54 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2b54 h LEU 148 N 0.00 0.69 -2.20 0.99 3.38 -1.86 -3.10 115.31 113.21 2b54 h LEU 148 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2b54 h LEU 148 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2b54 h LEU 148 CO 0.00 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.99 2b54 n ALA 149 N -2.33 2.01 0.10 1.53 0.00 -1.21 -0.62 120.51 119.99 2b54 n ALA 149 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2b54 n ALA 149 Cb 0.13 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2b54 n ALA 149 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2b54 n ARG 150 N 0.92 0.00 -0.58 0.00 0.00 -1.26 -4.55 116.66 111.19 2b54 n ARG 150 Ca 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 57.85 58.32 2b54 n ARG 150 Cb 0.21 0.00 0.76 0.00 -0.00 0.00 0.00 32.46 33.43 2b54 n ARG 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2b54 h ALA 151 N 0.00 3.64 0.00 2.89 0.00 -0.78 0.22 119.26 125.23 2b54 h ALA 151 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 2b54 h ALA 151 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2b54 h ALA 151 CO 0.00 -2.21 -2.26 1.19 0.00 0.00 0.00 179.25 175.97 2b54 n PHE 152 N -3.85 0.00 0.00 0.00 3.72 -1.14 -4.68 117.46 111.51 2b54 n PHE 152 Ca 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 2b54 n PHE 152 Cb 1.85 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 2b54 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b54 n GLY 153 N 2.19 2.51 3.76 1.37 0.00 0.77 -4.94 105.19 110.85 2b54 n GLY 153 Ca -0.41 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 2b54 n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b54 s VAL 154 N 0.00 2.41 0.25 1.61 -7.23 -1.26 -4.94 120.40 111.23 2b54 s VAL 154 Ca 0.00 0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.25 2b54 s VAL 154 Cb 0.00 -3.24 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 2b54 s VAL 154 CO 0.00 0.07 1.13 -2.84 -0.31 0.00 0.00 175.10 173.16 2b54 s PRO 155 N -1.10 4.58 -0.06 4.82 0.02 -1.26 -4.95 135.00 137.06 2b54 s PRO 155 Ca 0.56 1.83 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 2b54 s PRO 155 Cb -0.44 -3.21 -0.30 0.00 0.02 0.00 0.00 34.50 30.57 2b54 s PRO 155 CO 0.51 0.10 0.89 -0.24 -0.33 0.00 0.00 177.00 177.93 2b54 h VAL 156 N 3.34 1.55 -3.12 3.83 3.04 -1.97 -3.42 116.25 119.49 2b54 h VAL 156 Ca -0.46 -2.49 -0.67 0.00 -1.01 0.00 0.00 66.70 62.07 2b54 h VAL 156 Cb 1.21 3.20 -0.13 0.00 -2.01 0.00 0.00 31.29 33.57 2b54 h VAL 156 CO 0.69 0.70 -0.58 -0.13 -1.01 0.00 0.00 177.57 177.25 2b54 s ARG 157 N -2.44 3.24 -0.30 4.17 1.81 -1.26 -3.19 118.95 120.98 2b54 s ARG 157 Ca -0.14 -0.32 -0.12 0.00 -1.72 0.00 0.00 55.73 53.43 2b54 s ARG 157 Cb 0.00 -2.96 0.12 0.00 -0.45 0.00 0.00 34.95 31.67 2b54 s ARG 157 CO 0.81 0.66 0.67 0.99 -0.68 0.00 0.00 175.30 177.76 2b54 s THR 158 N -0.75 -0.75 -0.04 0.02 2.01 0.23 -4.89 115.64 111.48 2b54 s THR 158 Ca 0.12 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.16 2b54 s THR 158 Cb -0.12 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 2b54 s THR 158 CO 0.03 0.00 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.35 2b54 s TYR 159 N 2.59 1.41 0.00 4.92 5.04 -1.26 -3.92 117.35 126.13 2b54 s TYR 159 Ca -0.07 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2b54 s TYR 159 Cb -0.10 -0.97 0.00 0.00 0.35 0.00 0.00 41.96 41.24 2b54 s TYR 159 CO -0.19 -0.14 0.00 0.25 -1.34 0.00 0.00 175.55 174.13 2b54 n THR 160 N 3.21 0.00 -1.84 4.34 -2.24 -1.26 -4.85 114.28 111.64 2b54 n THR 160 Ca -0.18 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 2b54 n THR 160 Cb 0.53 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 2b54 n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2b54 n HIS 161 N -2.17 2.23 -0.47 4.78 8.25 -1.26 -4.82 115.22 121.76 2b54 n HIS 161 Ca 0.00 -2.34 -0.29 0.00 -0.26 0.00 0.00 57.72 54.83 2b54 n HIS 161 Cb 0.00 -1.48 0.27 0.00 1.12 0.00 0.00 29.99 29.90 2b54 n HIS 161 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2b54 s GLU 162 N -2.14 -1.69 0.41 -0.41 8.01 -1.25 -4.63 118.70 116.99 2b54 s GLU 162 Ca 0.54 0.61 -0.11 0.00 0.01 0.00 0.00 54.97 56.03 2b54 s GLU 162 Cb 0.30 -1.48 -0.06 0.00 -4.31 0.00 0.00 34.13 28.58 2b54 s GLU 162 CO -0.20 -4.17 0.78 0.08 0.01 0.00 0.00 175.26 171.75 2b54 s VAL 163 N -2.38 4.78 0.00 2.63 1.01 -1.25 0.77 120.40 125.96 2b54 s VAL 163 Ca 0.69 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2b54 s VAL 163 Cb -0.22 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2b54 s VAL 163 CO 0.63 -0.52 0.80 0.52 0.00 0.00 0.00 175.10 176.53 2b54 n VAL 164 N -1.29 0.00 0.00 2.92 0.31 -1.19 -4.68 118.33 114.39 2b54 n VAL 164 Ca 0.03 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.56 2b54 n VAL 164 Cb 0.54 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 2b54 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2b54 n THR 165 N -2.77 0.00 1.35 2.52 -1.04 -1.26 -5.04 114.28 108.04 2b54 n THR 165 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 2b54 n THR 165 Cb 0.00 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 68.95 2b54 n THR 165 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b54 n LEU 166 N 0.00 1.72 0.19 -4.42 4.32 -1.26 -4.56 117.00 112.99 2b54 n LEU 166 Ca 0.00 -0.62 0.13 0.00 -0.02 0.00 0.00 56.01 55.50 2b54 n LEU 166 Cb 0.00 -0.04 0.72 0.00 -1.62 0.00 0.00 43.42 42.48 2b54 n LEU 166 CO 0.00 0.31 1.12 -0.50 -1.22 0.00 0.00 177.39 177.10 2b54 h TRP 167 N 2.57 0.00 -0.02 -1.77 4.06 -1.81 -2.09 115.95 116.89 2b54 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2b54 h TRP 167 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2b54 h TRP 167 CO 0.04 0.00 -0.02 0.66 -3.56 0.00 0.00 178.44 175.55 2b54 n TYR 168 N -4.30 0.00 -2.45 0.49 4.01 -1.26 -4.63 117.16 109.02 2b54 n TYR 168 Ca 0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 2b54 n TYR 168 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 2b54 n TYR 168 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2b54 s ARG 169 N -1.23 4.36 0.40 -0.72 1.81 -0.79 -4.13 118.95 118.65 2b54 s ARG 169 Ca 0.16 1.73 -0.23 0.00 -1.72 0.00 0.00 55.73 55.68 2b54 s ARG 169 Cb 0.12 -2.87 -0.11 0.00 -0.45 0.00 0.00 34.95 31.64 2b54 s ARG 169 CO 0.19 -0.02 0.95 0.00 -0.68 0.00 0.00 175.30 175.74 2b54 s ALA 170 N -1.37 3.09 0.35 2.13 0.00 -1.26 -4.93 121.76 119.76 2b54 s ALA 170 Ca 0.51 0.45 0.24 0.00 0.00 0.00 0.00 51.96 53.16 2b54 s ALA 170 Cb -0.29 -3.16 1.21 0.00 0.00 0.00 0.00 23.12 20.88 2b54 s ALA 170 CO 0.37 0.13 1.98 -1.00 0.00 0.00 0.00 175.76 177.24 2b54 h PRO 171 N 2.30 0.00 -0.83 0.00 0.13 -1.95 -2.67 132.00 128.98 2b54 h PRO 171 Ca -0.48 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.83 2b54 h PRO 171 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 2b54 h PRO 171 CO 0.62 0.18 0.33 0.93 -0.23 0.00 0.00 178.00 179.84 2b54 h GLU 172 N 0.00 0.40 0.08 0.86 3.07 -1.92 0.12 114.58 117.18 2b54 h GLU 172 Ca -0.00 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.70 2b54 h GLU 172 Cb 0.47 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2b54 h GLU 172 CO 0.02 0.26 -0.59 0.82 -1.40 0.00 0.00 179.01 178.13 2b54 h ILE 173 N 0.41 1.54 -0.69 3.13 2.04 -1.71 0.55 117.51 122.77 2b54 h ILE 173 Ca 0.49 -2.35 0.09 0.00 1.00 0.00 0.00 64.86 64.09 2b54 h ILE 173 Cb 0.85 3.06 -0.04 0.00 -0.74 0.00 0.00 36.82 39.96 2b54 h ILE 173 CO -0.48 0.66 0.46 -0.07 0.00 0.00 0.00 178.15 178.71 2b54 h LEU 174 N -0.43 0.52 -0.45 1.44 -0.00 -1.38 -1.97 115.31 113.05 2b54 h LEU 174 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2b54 h LEU 174 Cb 1.41 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.97 2b54 h LEU 174 CO 0.11 0.32 0.00 0.18 -0.00 0.00 0.00 178.44 179.05 2b54 n LEU 175 N -4.49 0.68 0.00 1.67 4.32 0.38 -4.87 117.00 114.70 2b54 n LEU 175 Ca 0.11 -0.29 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2b54 n LEU 175 Cb 0.33 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 2b54 n LEU 175 CO 0.33 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.26 2b54 n GLY 176 N 0.91 0.74 3.73 -0.72 0.00 -0.74 -0.88 105.19 108.23 2b54 n GLY 176 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2b54 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b54 n LYS 178 N -1.44 3.23 -2.36 0.00 0.00 -1.26 -4.54 118.16 111.78 2b54 n LYS 178 Ca 0.13 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.23 2b54 n LYS 178 Cb 0.46 -0.93 0.02 0.00 -0.00 0.00 0.00 35.03 34.58 2b54 n LYS 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2b54 n TYR 179 N -1.75 2.68 -1.44 5.58 4.02 -1.26 -5.07 117.16 119.93 2b54 n TYR 179 Ca 0.00 -2.63 -0.29 0.00 -0.01 0.00 0.00 57.90 54.97 2b54 n TYR 179 Cb 0.39 -0.23 0.15 0.00 -0.02 0.00 0.00 39.34 39.64 2b54 n TYR 179 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2b54 s TYR 180 N -3.55 2.28 0.29 -0.72 -0.85 -1.26 -5.06 117.35 108.48 2b54 s TYR 180 Ca 0.45 0.84 0.00 0.00 -0.52 0.00 0.00 57.07 57.84 2b54 s TYR 180 Cb 0.40 -3.39 0.00 0.00 0.38 0.00 0.00 41.96 39.35 2b54 s TYR 180 CO -0.06 -2.59 0.01 -1.13 -1.52 0.00 0.00 175.55 170.26 2b54 n SER 181 N -3.92 2.78 0.08 -0.18 3.41 -1.26 -5.01 113.62 109.52 2b54 n SER 181 Ca 0.07 -2.26 0.21 0.00 -0.26 0.00 0.00 58.87 56.62 2b54 n SER 181 Cb 0.59 0.20 0.74 0.00 -0.26 0.00 0.00 64.21 65.47 2b54 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2b54 h THR 182 N 1.13 0.36 0.00 6.66 1.35 -1.97 -2.92 112.91 117.53 2b54 h THR 182 Ca -0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2b54 h THR 182 Cb 0.73 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2b54 h THR 182 CO 0.40 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.66 2b54 h ALA 183 N 1.46 1.41 -0.83 6.62 0.00 -1.94 -2.73 119.26 123.25 2b54 h ALA 183 Ca 0.20 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2b54 h ALA 183 Cb 1.14 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2b54 h ALA 183 CO -0.00 0.01 0.43 0.28 0.00 0.00 0.00 179.25 179.98 2b54 h VAL 184 N 0.00 0.77 0.07 0.00 2.07 -1.91 0.12 116.25 117.37 2b54 h VAL 184 Ca -0.00 -0.22 -0.26 0.00 0.82 0.00 0.00 66.70 67.04 2b54 h VAL 184 Cb 0.03 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2b54 h VAL 184 CO 0.00 0.12 -1.10 0.44 0.02 0.00 0.00 177.57 177.05 2b54 h ASP 185 N 0.65 0.61 -0.28 0.57 3.32 -1.73 -1.80 116.42 117.76 2b54 h ASP 185 Ca 0.44 -0.55 0.07 0.00 0.02 0.00 0.00 57.03 57.01 2b54 h ASP 185 Cb 0.58 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 2b54 h ASP 185 CO -0.33 1.37 -0.23 0.40 -1.72 0.00 0.00 179.24 178.73 2b54 h ILE 186 N 0.21 0.40 -0.79 0.35 1.08 -1.53 0.63 117.51 117.87 2b54 h ILE 186 Ca -0.12 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.48 2b54 h ILE 186 Cb 1.77 0.40 -0.09 0.00 -3.07 0.00 0.00 36.82 35.83 2b54 h ILE 186 CO 0.20 0.00 0.38 -0.25 -0.69 0.00 0.00 178.15 177.79 2b54 h TRP 187 N -0.22 0.67 -0.07 1.37 2.91 -0.44 -2.66 115.95 117.52 2b54 h TRP 187 Ca 0.15 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 2b54 h TRP 187 Cb 0.45 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2b54 h TRP 187 CO -0.41 0.17 0.00 0.77 -1.03 0.00 0.00 178.44 177.95 2b54 h SER 188 N 0.58 0.12 -0.89 2.65 0.02 -1.00 -2.83 113.55 112.19 2b54 h SER 188 Ca 0.42 -0.30 0.16 0.00 -0.84 0.00 0.00 61.79 61.23 2b54 h SER 188 Cb 0.57 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.98 2b54 h SER 188 CO -0.35 0.39 0.48 0.25 -1.14 0.00 0.00 176.83 176.46 2b54 h LEU 189 N -0.16 0.59 -0.89 5.07 6.46 -0.68 0.51 115.31 126.21 2b54 h LEU 189 Ca 0.02 0.09 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 2b54 h LEU 189 Cb 0.33 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2b54 h LEU 189 CO 0.00 0.23 -0.30 1.23 -0.62 0.00 0.00 178.44 178.98 2b54 h GLY 190 N 0.66 0.50 1.03 3.75 0.00 -1.45 0.49 103.07 108.05 2b54 h GLY 190 Ca 0.50 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 2b54 h GLY 190 CO -0.37 0.39 0.25 0.00 0.00 0.00 0.00 176.54 176.81 2b54 h ILE 192 N 0.98 0.77 -0.77 0.00 1.08 0.19 -2.85 117.51 116.91 2b54 h ILE 192 Ca 0.22 -0.05 0.18 0.00 -0.39 0.00 0.00 64.86 64.82 2b54 h ILE 192 Cb 0.25 0.80 -0.12 0.00 -3.07 0.00 0.00 36.82 34.68 2b54 h ILE 192 CO -0.01 0.01 0.15 0.15 -0.69 0.00 0.00 178.15 177.76 2b54 h PHE 193 N -0.35 0.22 -0.35 1.37 -0.00 -0.04 -1.12 116.94 116.66 2b54 h PHE 193 Ca -0.03 0.05 -0.08 0.00 -0.00 0.00 0.00 57.97 57.90 2b54 h PHE 193 Cb 0.27 0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 36.23 2b54 h PHE 193 CO -0.05 -0.15 -0.11 0.00 -0.00 0.00 0.00 178.31 178.00 2b54 h ALA 194 N 1.67 1.14 -0.32 2.41 0.00 -1.23 -2.72 119.26 120.21 2b54 h ALA 194 Ca 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2b54 h ALA 194 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2b54 h ALA 194 CO -0.57 0.54 0.03 1.49 0.00 0.00 0.00 179.25 180.74 2b54 h GLU 195 N 0.56 0.48 -0.45 0.00 4.81 -0.97 -0.73 114.58 118.28 2b54 h GLU 195 Ca 0.10 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2b54 h GLU 195 Cb 0.53 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2b54 h GLU 195 CO 0.03 0.49 0.02 0.52 -0.73 0.00 0.00 179.01 179.34 2b54 h MET 196 N 0.47 0.78 -0.04 1.92 2.86 -1.30 -1.84 114.93 117.79 2b54 h MET 196 Ca 0.11 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 2b54 h MET 196 Cb 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2b54 h MET 196 CO 0.00 0.84 -0.13 -0.24 1.06 0.00 0.00 176.91 178.44 2b54 h VAL 197 N 0.63 1.46 0.00 -2.22 3.04 -1.11 -3.36 116.25 114.69 2b54 h VAL 197 Ca 0.13 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.27 2b54 h VAL 197 Cb 0.47 2.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 2b54 h VAL 197 CO 0.02 0.42 0.00 0.71 -1.01 0.00 0.00 177.57 177.71 2b54 h THR 198 N -0.40 0.00 -1.02 3.17 1.35 -1.24 -3.46 112.91 111.31 2b54 h THR 198 Ca -0.00 -0.83 -0.42 0.00 -0.55 0.00 0.00 66.41 64.61 2b54 h THR 198 Cb 0.75 1.82 -0.16 0.00 -1.73 0.00 0.00 68.15 68.83 2b54 h THR 198 CO 0.03 0.00 -0.38 0.54 -0.25 0.00 0.00 175.52 175.45 2b54 n ARG 199 N -3.04 -1.43 -3.96 4.72 3.00 -0.69 -5.02 116.66 110.24 2b54 n ARG 199 Ca 0.03 1.22 -0.09 0.00 -0.01 0.00 0.00 57.85 59.00 2b54 n ARG 199 Cb 0.46 -5.60 -0.11 0.00 0.00 0.00 0.00 32.46 27.22 2b54 n ARG 199 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2b54 s ARG 200 N -3.77 0.35 0.16 5.56 1.04 -1.25 -5.08 118.95 115.96 2b54 s ARG 200 Ca 0.00 -0.58 -0.32 0.00 -1.04 0.00 0.00 55.73 53.79 2b54 s ARG 200 Cb 0.00 0.13 -0.10 0.00 -2.04 0.00 0.00 34.95 32.94 2b54 s ARG 200 CO 0.00 -0.06 1.59 0.00 -0.04 0.00 0.00 175.30 176.79 2b54 s ALA 201 N -1.48 3.79 0.16 7.88 0.00 -1.26 -4.30 121.76 126.56 2b54 s ALA 201 Ca -0.16 1.39 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 2b54 s ALA 201 Cb -0.09 -3.63 0.09 0.00 0.00 0.00 0.00 23.12 19.48 2b54 s ALA 201 CO -0.01 -0.81 1.66 1.25 0.00 0.00 0.00 175.76 177.85 2b54 h LEU 202 N 6.89 -0.45 -6.53 0.00 5.85 -1.92 -3.38 115.31 115.78 2b54 h LEU 202 Ca -0.43 0.13 -0.59 0.00 0.84 0.00 0.00 57.88 57.82 2b54 h LEU 202 Cb 1.20 0.27 -0.39 0.00 0.37 0.00 0.00 40.66 42.12 2b54 h LEU 202 CO 0.92 -0.16 -0.89 -0.36 -0.34 0.00 0.00 178.44 177.61 2b54 s PHE 203 N -6.20 1.46 -1.38 1.25 2.99 -1.26 -5.05 117.98 109.80 2b54 s PHE 203 Ca -0.14 -2.41 -0.14 0.00 0.00 0.00 0.00 56.93 54.24 2b54 s PHE 203 Cb 0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 43.02 41.92 2b54 s PHE 203 CO 0.70 -0.78 2.31 -0.35 -0.00 0.00 0.00 175.22 177.10 2b54 n PRO 204 N 2.88 2.79 -2.49 0.24 -0.04 -1.26 -4.52 135.00 132.60 2b54 n PRO 204 Ca 0.25 -2.40 -0.38 0.00 -0.04 0.00 0.00 63.50 60.93 2b54 n PRO 204 Cb 0.44 -3.13 -0.04 0.00 -0.04 0.00 0.00 33.50 30.73 2b54 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2b54 s GLY 205 N 3.27 2.85 0.00 0.55 0.00 -1.26 -4.92 107.32 107.81 2b54 s GLY 205 Ca 0.52 0.79 0.12 0.00 0.00 0.00 0.00 44.72 46.15 2b54 s GLY 205 CO -0.06 1.28 0.93 2.09 0.00 0.00 0.00 173.10 177.34 2b54 n ASP 206 N 0.32 2.12 -3.85 1.64 5.75 -1.26 -4.55 116.55 116.72 2b54 n ASP 206 Ca 0.03 -1.56 -0.09 0.00 -0.01 0.00 0.00 54.79 53.17 2b54 n ASP 206 Cb 0.48 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 2b54 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2b54 s SER 207 N -1.02 -0.22 0.20 -1.12 1.04 -1.26 -5.02 113.70 106.29 2b54 s SER 207 Ca 0.15 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 2b54 s SER 207 Cb 0.11 0.64 0.13 0.00 0.10 0.00 0.00 66.02 66.99 2b54 s SER 207 CO 0.16 -1.19 1.54 -0.33 0.98 0.00 0.00 173.24 174.39 2b54 h GLU 208 N 2.13 0.63 -0.23 4.02 5.08 -1.98 0.45 114.58 124.68 2b54 h GLU 208 Ca -0.24 -0.35 -0.15 0.00 -1.00 0.00 0.00 59.36 57.61 2b54 h GLU 208 Cb 1.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2b54 h GLU 208 CO 0.31 0.96 -0.45 0.97 -1.00 0.00 0.00 179.01 179.80 2b54 h ILE 209 N 0.50 1.31 -0.89 3.13 6.09 -1.97 0.70 117.51 126.38 2b54 h ILE 209 Ca 0.03 -1.66 0.01 0.00 -1.37 0.00 0.00 64.86 61.87 2b54 h ILE 209 Cb 0.99 1.79 -0.04 0.00 0.47 0.00 0.00 36.82 40.03 2b54 h ILE 209 CO 0.09 0.53 0.59 -0.78 -3.07 0.00 0.00 178.15 175.51 2b54 h ASP 210 N 0.43 1.02 0.11 2.19 3.58 -1.91 0.12 116.42 121.95 2b54 h ASP 210 Ca 0.01 -0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.45 2b54 h ASP 210 Cb 1.05 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2b54 h ASP 210 CO 0.10 0.74 -0.26 -0.61 -2.88 0.00 0.00 179.24 176.32 2b54 h GLN 211 N 1.20 -0.45 -0.33 0.28 5.75 -0.01 -0.80 115.11 120.76 2b54 h GLN 211 Ca 0.33 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.91 2b54 h GLN 211 Cb -0.14 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.43 2b54 h GLN 211 CO -0.07 -0.30 -0.46 1.25 -2.65 0.00 0.00 178.83 176.60 2b54 h LEU 212 N -0.47 -1.50 -1.51 -2.39 5.85 -0.58 -2.59 115.31 112.13 2b54 h LEU 212 Ca 0.03 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2b54 h LEU 212 Cb 0.50 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2b54 h LEU 212 CO -0.16 -0.40 0.01 -0.26 -0.34 0.00 0.00 178.44 177.29 2b54 h PHE 213 N -0.40 0.33 -0.87 1.25 0.05 -0.72 -1.33 116.94 115.25 2b54 h PHE 213 Ca 0.11 -0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.89 2b54 h PHE 213 Cb 0.60 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 38.41 2b54 h PHE 213 CO -0.61 0.33 0.57 0.00 -0.18 0.00 0.00 178.31 178.43 2b54 h ARG 214 N 0.32 1.12 -0.43 1.51 3.08 -0.76 0.86 114.38 120.08 2b54 h ARG 214 Ca 0.08 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2b54 h ARG 214 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2b54 h ARG 214 CO 0.00 0.74 -0.10 0.82 -1.07 0.00 0.00 179.97 180.36 2b54 h ILE 215 N 1.15 1.27 0.00 2.04 2.04 -1.18 -3.16 117.51 119.68 2b54 h ILE 215 Ca 0.32 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2b54 h ILE 215 Cb -0.10 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2b54 h ILE 215 CO -0.08 0.41 -0.18 -0.26 0.00 0.00 0.00 178.15 178.04 2b54 h PHE 216 N 0.65 0.00 -0.21 1.37 0.05 -0.03 0.15 116.94 118.93 2b54 h PHE 216 Ca 0.11 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.80 2b54 h PHE 216 Cb 0.64 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.59 2b54 h PHE 216 CO 0.05 0.18 -0.26 0.00 -0.18 0.00 0.00 178.31 178.10 2b54 h ARG 217 N 0.00 0.54 -0.10 1.51 3.08 -0.87 -1.78 114.38 116.76 2b54 h ARG 217 Ca -0.00 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 2b54 h ARG 217 Cb 0.89 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2b54 h ARG 217 CO 0.02 0.90 -0.26 1.15 -1.07 0.00 0.00 179.97 180.72 2b54 h THR 218 N 0.22 1.40 -0.32 2.04 2.02 -1.60 -3.40 112.91 113.26 2b54 h THR 218 Ca 0.03 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.63 2b54 h THR 218 Cb 0.83 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2b54 h THR 218 CO 0.06 0.46 0.00 0.18 0.37 0.00 0.00 175.52 176.59 2b54 n LEU 219 N -4.47 3.16 0.00 2.58 4.32 0.52 -1.39 117.00 121.72 2b54 n LEU 219 Ca -0.07 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.43 2b54 n LEU 219 Cb 0.45 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2b54 n LEU 219 CO 0.41 0.68 0.00 0.61 -1.22 0.00 0.00 177.39 177.87 2b54 n GLY 220 N 1.23 -0.98 3.72 -0.72 0.00 -0.67 -4.48 105.19 103.29 2b54 n GLY 220 Ca 0.16 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2b54 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b54 s THR 221 N -3.16 3.92 0.25 2.61 2.01 -0.91 -4.32 115.64 116.06 2b54 s THR 221 Ca 0.00 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 2b54 s THR 221 Cb 0.00 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 2b54 s THR 221 CO 0.00 0.13 1.39 -2.16 -0.69 0.00 0.00 174.62 173.29 2b54 s PRO 222 N 0.83 4.31 0.53 4.92 0.04 -1.26 -4.90 135.00 139.47 2b54 s PRO 222 Ca 0.58 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.90 2b54 s PRO 222 Cb -0.30 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2b54 s PRO 222 CO 0.30 -0.35 0.29 0.16 0.04 0.00 0.00 177.00 177.44 2b54 s ASP 223 N 0.22 4.50 0.22 6.66 1.47 -1.26 -4.96 116.67 123.51 2b54 s ASP 223 Ca 0.57 -1.34 0.19 0.00 1.18 0.00 0.00 52.55 53.15 2b54 s ASP 223 Cb -0.40 0.39 0.89 0.00 -0.34 0.00 0.00 42.92 43.45 2b54 s ASP 223 CO 0.44 -1.01 1.58 -0.62 0.68 0.00 0.00 175.17 176.25 2b54 n GLU 224 N -1.61 0.13 -0.01 2.11 -0.58 -1.26 -0.56 120.64 118.86 2b54 n GLU 224 Ca -0.06 0.48 -0.13 0.00 -0.42 0.00 0.00 57.16 57.03 2b54 n GLU 224 Cb 0.65 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 2b54 n GLU 224 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2b54 h VAL 225 N 0.00 1.37 0.00 2.62 -1.51 -2.01 -3.31 116.25 113.42 2b54 h VAL 225 Ca 0.00 -1.22 -0.11 0.00 -1.23 0.00 0.00 66.70 64.14 2b54 h VAL 225 Cb 0.19 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.52 2b54 h VAL 225 CO 0.00 0.31 -0.79 -0.37 -1.23 0.00 0.00 177.57 175.50 2b54 h VAL 226 N -0.56 0.60 -2.72 7.19 -1.51 -1.95 -3.41 116.25 113.88 2b54 h VAL 226 Ca -0.00 -1.93 -0.60 0.00 -1.23 0.00 0.00 66.70 62.94 2b54 h VAL 226 Cb 0.53 2.18 -0.39 0.00 -2.13 0.00 0.00 31.29 31.48 2b54 h VAL 226 CO 0.00 0.34 -0.81 0.86 -1.23 0.00 0.00 177.57 176.73 2b54 s TRP 227 N -3.01 1.51 -0.03 5.19 -0.11 0.28 -4.27 118.94 118.51 2b54 s TRP 227 Ca 0.02 -2.23 -0.30 0.00 1.22 0.00 0.00 56.10 54.81 2b54 s TRP 227 Cb 0.08 -1.42 -0.05 0.00 -1.50 0.00 0.00 33.47 30.57 2b54 s TRP 227 CO 0.76 -0.79 1.46 -2.14 -4.62 0.00 0.00 176.95 171.62 2b54 s PRO 228 N 0.35 4.25 0.00 5.86 0.02 -1.24 -1.01 135.00 143.22 2b54 s PRO 228 Ca 0.22 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.25 2b54 s PRO 228 Cb -0.15 -3.68 0.00 0.00 0.02 0.00 0.00 34.50 30.68 2b54 s PRO 228 CO -0.06 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 2b54 n GLY 229 N 3.77 0.90 0.33 0.52 0.00 -1.26 -5.03 105.19 104.41 2b54 n GLY 229 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.32 2b54 n GLY 229 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b54 n VAL 230 N 0.00 -0.40 0.17 1.61 0.31 -0.18 -2.19 118.33 117.64 2b54 n VAL 230 Ca 0.00 2.08 0.12 0.00 -0.01 0.00 0.00 64.34 66.53 2b54 n VAL 230 Cb 0.00 -3.08 0.09 0.00 -0.91 0.00 0.00 33.84 29.94 2b54 n VAL 230 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2b54 h THR 231 N 0.00 0.00 0.00 2.52 1.35 -1.94 -1.72 112.91 113.12 2b54 h THR 231 Ca 0.61 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2b54 h THR 231 Cb 1.30 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2b54 h THR 231 CO -0.88 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.19 2b54 n SER 232 N -2.90 0.00 -4.81 5.36 7.64 -0.93 -4.79 113.62 113.20 2b54 n SER 232 Ca 0.02 -1.16 -0.35 0.00 1.01 0.00 0.00 58.87 58.40 2b54 n SER 232 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 2b54 n SER 232 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2b54 s MET 233 N -2.00 4.34 0.18 1.43 0.00 -0.65 -4.95 119.30 117.65 2b54 s MET 233 Ca 0.20 1.14 -0.13 0.00 0.00 0.00 0.00 55.69 56.91 2b54 s MET 233 Cb 0.09 -2.46 0.17 0.00 0.00 0.00 0.00 34.83 32.63 2b54 s MET 233 CO 0.16 0.12 1.75 -1.35 0.00 0.00 0.00 175.02 175.70 2b54 h PRO 234 N 2.47 0.36 -0.67 4.11 0.11 -1.80 -2.41 132.00 134.17 2b54 h PRO 234 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2b54 h PRO 234 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2b54 h PRO 234 CO 0.63 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2b54 n ASP 235 N -4.99 4.00 -4.74 -2.05 8.00 -0.06 -4.94 116.55 111.77 2b54 n ASP 235 Ca 0.05 -2.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.03 2b54 n ASP 235 Cb 0.19 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2b54 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2b54 s TYR 236 N -1.19 3.08 -0.16 1.24 5.04 -0.91 -5.00 117.35 119.45 2b54 s TYR 236 Ca 0.46 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 56.07 2b54 s TYR 236 Cb 0.26 -3.80 0.02 0.00 0.35 0.00 0.00 41.96 38.78 2b54 s TYR 236 CO 0.29 -2.70 -0.18 0.21 -1.34 0.00 0.00 175.55 171.84 2b54 s LYS 237 N 0.10 2.67 0.48 4.97 2.47 -1.26 -4.92 119.74 124.25 2b54 s LYS 237 Ca 0.62 -0.71 0.27 0.00 -1.56 0.00 0.00 55.97 54.58 2b54 s LYS 237 Cb -0.41 -2.33 1.32 0.00 -1.46 0.00 0.00 37.83 34.96 2b54 s LYS 237 CO 0.39 -0.19 1.83 -1.35 0.16 0.00 0.00 175.35 176.19 2b54 h PRO 238 N 7.88 0.18 0.00 4.03 0.11 -1.94 0.67 132.00 142.92 2b54 h PRO 238 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2b54 h PRO 238 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2b54 h PRO 238 CO 0.58 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 2b54 n SER 239 N -4.39 0.00 -4.66 -2.05 3.41 -1.26 -4.84 113.62 99.83 2b54 n SER 239 Ca 0.22 0.39 -0.59 0.00 -0.26 0.00 0.00 58.87 58.63 2b54 n SER 239 Cb 0.96 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2b54 n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2b54 n PHE 240 N -1.44 1.64 -1.77 7.33 3.72 0.23 -4.90 117.46 122.26 2b54 n PHE 240 Ca 0.04 0.79 -0.41 0.00 -0.05 0.00 0.00 57.45 57.83 2b54 n PHE 240 Cb 0.13 -2.32 0.01 0.00 -0.94 0.00 0.00 39.48 36.37 2b54 n PHE 240 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2b54 n PRO 241 N 3.79 2.53 -3.23 -1.08 -0.02 -1.26 -4.98 135.00 130.75 2b54 n PRO 241 Ca 0.25 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 62.21 2b54 n PRO 241 Cb 0.09 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 30.83 2b54 n PRO 241 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2b54 s LYS 242 N -2.25 3.76 0.23 -0.52 2.47 -1.26 -4.75 119.74 117.41 2b54 s LYS 242 Ca 0.56 -0.00 -0.00 0.00 -1.56 0.00 0.00 55.97 54.97 2b54 s LYS 242 Cb -0.46 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.11 2b54 s LYS 242 CO 0.61 -0.57 0.41 -1.58 0.16 0.00 0.00 175.35 174.39 2b54 s TRP 243 N 2.40 3.48 0.15 4.03 0.51 -1.26 -4.94 118.94 123.31 2b54 s TRP 243 Ca 0.20 0.31 -0.07 0.00 -2.12 0.00 0.00 56.10 54.41 2b54 s TRP 243 Cb -0.15 -1.83 -0.06 0.00 -0.81 0.00 0.00 33.47 30.61 2b54 s TRP 243 CO 0.12 0.35 0.43 0.00 -0.51 0.00 0.00 176.95 177.34 2b54 s ALA 244 N -1.94 3.71 -0.10 0.98 0.00 -1.26 -2.14 121.76 121.01 2b54 s ALA 244 Ca 0.38 -0.44 -0.32 0.00 0.00 0.00 0.00 51.96 51.58 2b54 s ALA 244 Cb -0.11 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.67 2b54 s ALA 244 CO 0.30 0.60 1.98 -2.13 0.00 0.00 0.00 175.76 176.51 2b54 n ARG 245 N 0.24 2.23 -1.95 0.00 0.63 -1.26 -3.92 116.66 112.63 2b54 n ARG 245 Ca -0.03 0.78 -0.32 0.00 -0.92 0.00 0.00 57.85 57.36 2b54 n ARG 245 Cb 0.52 -2.80 0.01 0.00 0.45 0.00 0.00 32.46 30.64 2b54 n ARG 245 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2b54 s GLN 246 N 4.69 3.34 0.03 -0.14 -1.52 -0.48 -4.89 119.66 120.69 2b54 s GLN 246 Ca 0.94 1.04 -0.20 0.00 -1.95 0.00 0.00 55.36 55.20 2b54 s GLN 246 Cb -0.59 -2.04 -0.06 0.00 -0.22 0.00 0.00 33.01 30.10 2b54 s GLN 246 CO 0.47 -0.78 0.59 0.34 -0.25 0.00 0.00 175.29 175.66 2b54 s ASP 247 N -3.27 7.01 0.56 5.90 -1.08 -1.26 -4.89 116.67 119.65 2b54 s ASP 247 Ca 0.60 1.21 0.24 0.00 -0.52 0.00 0.00 52.55 54.08 2b54 s ASP 247 Cb -0.14 -2.36 1.53 0.00 -1.46 0.00 0.00 42.92 40.49 2b54 s ASP 247 CO 0.43 0.17 2.14 -0.26 0.52 0.00 0.00 175.17 178.18 2b54 h PHE 248 N 5.18 0.00 0.00 -5.34 -1.00 -1.96 -1.83 116.94 112.00 2b54 h PHE 248 Ca -0.47 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.31 2b54 h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 2b54 h PHE 248 CO 0.66 0.00 -0.02 0.77 -1.61 0.00 0.00 178.31 178.12 2b54 h SER 249 N 0.00 0.00 0.72 2.17 0.02 -1.93 -2.26 113.55 112.27 2b54 h SER 249 Ca 0.06 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.75 2b54 h SER 249 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2b54 h SER 249 CO -0.00 0.02 -1.26 0.50 -1.14 0.00 0.00 176.83 174.94 2b54 h LYS 250 N 0.00 0.13 0.12 3.45 3.64 -1.74 -3.27 116.57 118.89 2b54 h LYS 250 Ca -0.00 -0.22 -0.26 0.00 -1.27 0.00 0.00 60.65 58.90 2b54 h LYS 250 Cb 0.03 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2b54 h LYS 250 CO 0.00 1.03 -1.31 -0.24 -2.27 0.00 0.00 179.45 176.66 2b54 h VAL 251 N 0.03 1.11 -2.22 2.00 3.04 -1.46 -3.39 116.25 115.36 2b54 h VAL 251 Ca -0.13 -2.42 -0.59 0.00 -1.01 0.00 0.00 66.70 62.56 2b54 h VAL 251 Cb 1.91 2.78 -0.42 0.00 -2.01 0.00 0.00 31.29 33.55 2b54 h VAL 251 CO 0.15 0.70 -0.66 1.33 -1.01 0.00 0.00 177.57 178.08 2b54 n VAL 252 N -3.97 2.45 -2.74 1.51 0.24 -0.87 -5.01 118.33 109.95 2b54 n VAL 252 Ca -0.23 -5.31 -0.37 0.00 -2.04 0.00 0.00 64.34 56.39 2b54 n VAL 252 Cb 0.88 -1.70 -0.06 0.00 -1.47 0.00 0.00 33.84 31.49 2b54 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2b54 s PRO 253 N -2.87 4.51 -0.70 7.34 0.04 -1.23 -1.39 135.00 140.69 2b54 s PRO 253 Ca 0.44 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2b54 s PRO 253 Cb 0.22 -2.74 0.37 0.00 0.04 0.00 0.00 34.50 32.39 2b54 s PRO 253 CO -0.08 0.20 1.64 -0.35 0.04 0.00 0.00 177.00 178.45 2b54 n PRO 254 N 0.43 3.17 -1.71 0.56 -0.04 -1.26 -4.67 135.00 131.48 2b54 n PRO 254 Ca 0.03 -4.00 -0.43 0.00 -0.04 0.00 0.00 63.50 59.06 2b54 n PRO 254 Cb 0.50 -2.27 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 2b54 n PRO 254 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2b54 n LEU 255 N -0.48 3.73 -4.57 1.53 4.77 -0.49 -4.97 117.00 116.52 2b54 n LEU 255 Ca 0.47 1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 57.36 2b54 n LEU 255 Cb 0.40 -1.51 0.22 0.00 -2.33 0.00 0.00 43.42 40.20 2b54 n LEU 255 CO 0.44 -0.32 0.58 1.51 -1.33 0.00 0.00 177.39 178.26 2b54 s ASP 256 N -0.08 1.74 0.22 -1.43 1.47 -1.26 -4.72 116.67 112.61 2b54 s ASP 256 Ca 0.58 1.44 -0.08 0.00 1.18 0.00 0.00 52.55 55.67 2b54 s ASP 256 Cb -0.56 -2.16 0.25 0.00 -0.34 0.00 0.00 42.92 40.11 2b54 s ASP 256 CO 0.59 -3.72 1.85 -0.08 0.68 0.00 0.00 175.17 174.49 2b54 h GLU 257 N -2.29 0.89 -0.29 2.11 4.57 -2.00 -0.28 114.58 117.30 2b54 h GLU 257 Ca -0.58 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.47 2b54 h GLU 257 Cb 1.33 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2b54 h GLU 257 CO 0.53 0.59 -0.16 -0.44 -1.18 0.00 0.00 179.01 178.34 2b54 h ASP 258 N 0.92 0.50 -0.14 1.04 3.32 -1.97 -1.13 116.42 118.96 2b54 h ASP 258 Ca 0.32 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2b54 h ASP 258 Cb 0.07 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2b54 h ASP 258 CO -0.13 0.69 0.09 1.23 -1.72 0.00 0.00 179.24 179.39 2b54 h GLY 259 N 0.96 0.19 1.56 2.75 0.00 -1.66 -0.91 103.07 105.97 2b54 h GLY 259 Ca 0.08 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 2b54 h GLY 259 CO 0.04 0.07 -0.14 3.21 0.00 0.00 0.00 176.54 179.72 2b54 h ARG 260 N 0.18 0.52 -0.43 4.80 3.08 -0.55 0.45 114.38 122.44 2b54 h ARG 260 Ca 0.05 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2b54 h ARG 260 Cb -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2b54 h ARG 260 CO -0.01 0.66 0.17 0.66 -1.07 0.00 0.00 179.97 180.37 2b54 h SER 261 N 0.48 0.60 -0.45 7.04 4.64 -1.17 -1.42 113.55 123.26 2b54 h SER 261 Ca 0.09 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2b54 h SER 261 Cb 0.53 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.40 2b54 h SER 261 CO 0.03 0.61 -0.42 0.25 -0.87 0.00 0.00 176.83 176.43 2b54 h LEU 262 N 0.55 -1.45 -0.72 5.97 6.46 -0.32 -2.62 115.31 123.19 2b54 h LEU 262 Ca 0.14 0.20 0.16 0.00 -0.12 0.00 0.00 57.88 58.26 2b54 h LEU 262 Cb 0.20 0.61 -0.13 0.00 -0.73 0.00 0.00 40.66 40.61 2b54 h LEU 262 CO -0.01 -0.25 -0.06 0.25 -0.62 0.00 0.00 178.44 177.75 2b54 h LEU 263 N -0.19 -0.44 -0.55 2.25 6.46 -0.90 -2.50 115.31 119.43 2b54 h LEU 263 Ca 0.08 0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.98 2b54 h LEU 263 Cb 0.39 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 2b54 h LEU 263 CO -0.53 -0.19 0.14 0.77 -0.62 0.00 0.00 178.44 178.02 2b54 h SER 264 N 0.07 0.84 -0.60 1.25 4.64 -0.98 0.09 113.55 118.86 2b54 h SER 264 Ca 0.37 -0.23 0.13 0.00 -0.47 0.00 0.00 61.79 61.60 2b54 h SER 264 Cb 0.63 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2b54 h SER 264 CO -0.67 0.85 0.41 1.56 -0.87 0.00 0.00 176.83 178.11 2b54 h GLN 265 N 0.79 0.22 0.00 4.77 4.20 -1.14 -0.48 115.11 123.46 2b54 h GLN 265 Ca 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2b54 h GLN 265 Cb 0.33 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2b54 h GLN 265 CO 0.00 0.14 -0.39 -1.33 -0.67 0.00 0.00 178.83 176.58 2b54 n MET 266 N -4.44 0.18 -0.13 1.46 2.81 -0.86 -1.02 117.12 115.13 2b54 n MET 266 Ca 0.11 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.20 2b54 n MET 266 Cb 0.51 -1.64 0.20 0.00 -0.71 0.00 0.00 33.22 31.58 2b54 n MET 266 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2b54 n LEU 267 N -1.92 3.20 -4.64 4.03 4.77 -0.03 -3.95 117.00 118.45 2b54 n LEU 267 Ca 0.05 -1.30 -0.45 0.00 -0.03 0.00 0.00 56.01 54.29 2b54 n LEU 267 Cb 0.40 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2b54 n LEU 267 CO 0.34 0.65 0.80 1.41 -1.33 0.00 0.00 177.39 179.25 2b54 n HIS 268 N 1.36 1.78 0.28 -1.77 8.25 -0.45 -4.90 115.22 119.78 2b54 n HIS 268 Ca 0.18 0.59 -0.15 0.00 -0.26 0.00 0.00 57.72 58.08 2b54 n HIS 268 Cb 0.58 -2.35 -0.08 0.00 1.12 0.00 0.00 29.99 29.26 2b54 n HIS 268 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2b54 h TYR 269 N 2.95 -0.67 -2.79 4.41 -1.99 -1.91 -3.42 116.97 113.55 2b54 h TYR 269 Ca -0.43 -0.02 -0.54 0.00 2.00 0.00 0.00 58.73 59.74 2b54 h TYR 269 Cb 1.31 0.22 -0.00 0.00 2.00 0.00 0.00 36.73 40.26 2b54 h TYR 269 CO 0.52 -0.35 0.93 0.34 -0.00 0.00 0.00 178.16 179.61 2b54 s ASP 270 N -4.69 6.76 0.46 3.88 2.15 -1.26 -4.89 116.67 119.08 2b54 s ASP 270 Ca -0.15 2.20 0.20 0.00 0.43 0.00 0.00 52.55 55.24 2b54 s ASP 270 Cb 0.02 -2.55 1.19 0.00 -0.30 0.00 0.00 42.92 41.28 2b54 s ASP 270 CO 0.52 -0.81 1.91 -0.65 -0.17 0.00 0.00 175.17 175.97 2b54 h PRO 271 N 8.35 0.27 -0.00 4.34 0.11 -1.97 -0.29 132.00 142.82 2b54 h PRO 271 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2b54 h PRO 271 Cb 1.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2b54 h PRO 271 CO 0.92 0.18 -0.20 0.09 -0.21 0.00 0.00 178.00 178.78 2b54 n ASN 272 N -4.44 0.28 0.05 -2.05 3.02 -1.26 -2.81 115.26 108.05 2b54 n ASN 272 Ca 0.15 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2b54 n ASN 272 Cb 0.65 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 2b54 n ASN 272 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2b54 h LYS 273 N 0.13 0.00 -7.12 3.52 1.57 -1.44 -3.49 116.57 109.74 2b54 h LYS 273 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2b54 h LYS 273 Cb 0.47 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.87 2b54 h LYS 273 CO 0.00 0.32 0.43 1.03 -0.57 0.00 0.00 179.45 180.66 2b54 s ARG 274 N -2.93 3.07 0.48 3.15 0.52 -0.98 -4.90 118.95 117.37 2b54 s ARG 274 Ca -0.02 1.64 -0.23 0.00 -0.52 0.00 0.00 55.73 56.60 2b54 s ARG 274 Cb 0.09 -1.96 -0.07 0.00 0.52 0.00 0.00 34.95 33.53 2b54 s ARG 274 CO 0.80 -1.08 1.23 -1.50 0.02 0.00 0.00 175.30 174.77 2b54 s ILE 275 N -1.84 2.77 0.87 1.52 2.07 -0.19 -5.01 121.20 121.39 2b54 s ILE 275 Ca 0.73 0.58 -0.12 0.00 -1.41 0.00 0.00 60.65 60.44 2b54 s ILE 275 Cb -0.25 -3.30 0.15 0.00 0.13 0.00 0.00 42.46 39.18 2b54 s ILE 275 CO 0.32 0.00 1.21 -0.94 -1.91 0.00 0.00 174.94 173.63 2b54 s SER 276 N -1.18 3.77 0.24 4.50 1.04 -1.26 -4.86 113.70 115.94 2b54 s SER 276 Ca 0.65 0.32 0.08 0.00 0.48 0.00 0.00 55.95 57.48 2b54 s SER 276 Cb -0.33 -0.57 0.24 0.00 0.10 0.00 0.00 66.02 65.46 2b54 s SER 276 CO 0.40 -2.31 1.54 0.00 0.98 0.00 0.00 173.24 173.85 2b54 h ALA 277 N -1.25 0.84 -0.00 5.32 0.00 -1.94 -1.96 119.26 120.26 2b54 h ALA 277 Ca -0.44 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 53.67 2b54 h ALA 277 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2b54 h ALA 277 CO 0.47 0.82 -0.85 -0.22 0.00 0.00 0.00 179.25 179.47 2b54 h LYS 278 N 0.05 0.22 -0.25 0.00 3.64 -1.94 -2.73 116.57 115.55 2b54 h LYS 278 Ca -0.01 -0.23 -0.19 0.00 -1.27 0.00 0.00 60.65 58.95 2b54 h LYS 278 Cb 1.21 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2b54 h LYS 278 CO 0.09 0.95 -0.59 0.00 -2.27 0.00 0.00 179.45 177.63 2b54 h ALA 279 N 0.98 0.46 -0.10 5.00 0.00 -1.95 -3.26 119.26 120.39 2b54 h ALA 279 Ca -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.36 2b54 h ALA 279 Cb 1.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2b54 h ALA 279 CO 0.13 0.68 0.08 0.00 0.00 0.00 0.00 179.25 180.15 2b54 h ALA 280 N 0.70 1.96 0.00 0.00 0.00 -1.35 0.22 119.26 120.79 2b54 h ALA 280 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2b54 h ALA 280 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2b54 h ALA 280 CO 0.13 -0.14 -0.17 -0.07 0.00 0.00 0.00 179.25 179.00 2b54 h LEU 281 N 0.00 0.00 -0.28 0.00 4.07 -1.52 -2.33 115.31 115.24 2b54 h LEU 281 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2b54 h LEU 281 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2b54 h LEU 281 CO -0.00 0.17 -0.03 0.00 -1.08 0.00 0.00 178.44 177.49 2b54 n ALA 282 N -2.47 2.67 -1.78 1.53 0.00 0.75 -4.85 120.51 116.37 2b54 n ALA 282 Ca -0.02 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 2b54 n ALA 282 Cb 0.24 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 2b54 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b54 s HIS 283 N -2.19 3.26 0.54 0.00 5.04 -0.88 -4.89 115.29 116.18 2b54 s HIS 283 Ca 0.38 1.64 0.46 0.00 -1.54 0.00 0.00 55.06 56.00 2b54 s HIS 283 Cb 0.21 -3.19 1.68 0.00 0.04 0.00 0.00 32.58 31.32 2b54 s HIS 283 CO 0.40 -0.74 1.61 -1.35 -2.34 0.00 0.00 174.74 172.32 2b54 h PRO 284 N 2.66 0.01 -0.94 2.88 0.11 -1.92 -0.20 132.00 134.60 2b54 h PRO 284 Ca -0.48 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.82 2b54 h PRO 284 Cb 1.22 -0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 2b54 h PRO 284 CO 0.63 0.00 0.60 0.35 -0.21 0.00 0.00 178.00 179.38 2b54 h PHE 285 N 0.01 0.74 -0.29 0.65 3.04 -1.90 -1.31 116.94 117.88 2b54 h PHE 285 Ca 0.88 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.85 2b54 h PHE 285 Cb 3.45 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 41.73 2b54 h PHE 285 CO -0.00 0.20 0.00 1.19 -2.02 0.00 0.00 178.31 177.68 2b54 n PHE 286 N -4.59 1.01 -0.10 0.41 3.72 -0.09 -4.46 117.46 113.37 2b54 n PHE 286 Ca 0.20 -0.35 -0.06 0.00 -0.05 0.00 0.00 57.45 57.19 2b54 n PHE 286 Cb 0.63 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 2b54 n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2b54 h GLN 287 N 1.98 -0.11 -0.95 -1.08 3.07 -1.38 -3.00 115.11 113.64 2b54 h GLN 287 Ca 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.70 2b54 h GLN 287 Cb 1.21 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.77 2b54 h GLN 287 CO 0.24 -0.08 0.06 -0.40 0.09 0.00 0.00 178.83 178.74 2b54 n ASP 288 N -3.90 2.53 -4.71 0.06 5.75 -1.26 -4.99 116.55 110.03 2b54 n ASP 288 Ca -0.01 -2.27 -0.42 0.00 -0.01 0.00 0.00 54.79 52.08 2b54 n ASP 288 Cb 0.14 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 2b54 n ASP 288 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2b54 s VAL 289 N -1.11 2.39 0.00 2.12 -7.23 -1.14 -5.00 120.40 110.42 2b54 s VAL 289 Ca 0.12 0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 2b54 s VAL 289 Cb 0.10 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2b54 s VAL 289 CO 0.03 0.01 0.00 0.35 -0.31 0.00 0.00 175.10 175.19 2b54 n THR 290 N 4.11 0.00 -3.42 5.32 -2.24 -1.26 -5.11 114.28 111.68 2b54 n THR 290 Ca 0.15 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.66 2b54 n THR 290 Cb 0.37 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 2b54 n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2b54 s LYS 291 N 0.60 0.97 0.94 -0.78 2.20 -1.26 -4.66 119.74 117.75 2b54 s LYS 291 Ca 0.00 -2.15 -0.11 0.00 -0.36 0.00 0.00 55.97 53.35 2b54 s LYS 291 Cb 0.00 -1.51 0.16 0.00 -1.51 0.00 0.00 37.83 34.97 2b54 s LYS 291 CO 0.00 -1.38 1.12 -2.14 -0.36 0.00 0.00 175.35 172.59 2b54 s PRO 292 N 0.01 0.86 -0.10 4.03 0.02 -1.26 -4.99 135.00 133.56 2b54 s PRO 292 Ca 0.32 1.35 0.02 0.00 0.02 0.00 0.00 61.00 62.71 2b54 s PRO 292 Cb 0.03 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 2b54 s PRO 292 CO -0.19 -2.67 -0.18 0.54 -0.33 0.00 0.00 177.00 174.16 2b54 s VAL 293 N -2.67 2.64 0.88 3.83 0.11 -1.26 -4.38 120.40 119.55 2b54 s VAL 293 Ca 0.66 -0.82 -0.10 0.00 -2.93 0.00 0.00 61.98 58.79 2b54 s VAL 293 Cb -0.22 -2.06 0.18 0.00 -1.53 0.00 0.00 36.38 32.75 2b54 s VAL 293 CO 0.59 0.55 1.20 -2.16 -3.33 0.00 0.00 175.10 171.95 2b54 s PRO 294 N 0.14 0.98 -0.93 1.54 0.04 -1.26 -4.96 135.00 130.54 2b54 s PRO 294 Ca -0.09 -0.73 -0.12 0.00 0.04 0.00 0.00 61.00 60.10 2b54 s PRO 294 Cb -0.16 -2.03 0.24 0.00 0.04 0.00 0.00 34.50 32.59 2b54 s PRO 294 CO 0.06 -2.08 0.89 -1.58 0.04 0.00 0.00 177.00 174.32 2b54 s HIS 295 N -3.61 3.95 0.50 0.56 2.46 -1.26 -4.98 115.29 112.91 2b54 s HIS 295 Ca 0.72 -2.29 0.02 0.00 0.47 0.00 0.00 55.06 53.98 2b54 s HIS 295 Cb -0.04 -3.80 0.02 0.00 -0.13 0.00 0.00 32.58 28.63 2b54 s HIS 295 CO 0.50 -0.97 0.71 -0.51 -2.47 0.00 0.00 174.74 172.00 2b54 s LEU 296 N -0.40 3.44 0.29 8.88 1.02 -1.26 -5.12 118.68 125.54 2b54 s LEU 296 Ca 0.23 -0.00 0.02 0.00 0.02 0.00 0.00 54.13 54.40 2b54 s LEU 296 Cb -0.10 -2.90 -0.05 0.00 0.02 0.00 0.00 46.19 43.16 2b54 s LEU 296 CO -0.09 -0.96 0.11 -0.60 0.02 0.00 0.00 176.35 174.84 2b54 s ARG 297 N -4.63 1.55 0.00 1.70 6.06 -1.26 -5.19 118.95 117.17 2b54 s ARG 297 Ca 0.54 -1.86 0.00 0.00 -2.50 0.00 0.00 55.73 51.91 2b54 s ARG 297 Cb -0.10 -0.34 0.00 0.00 0.06 0.00 0.00 34.95 34.57 2b54 s ARG 297 CO 0.37 -0.34 0.00 1.28 -2.50 0.00 0.00 175.30 174.11