#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h25 n MET 1 N 0.00 0.54 -0.32 1.43 2.81 -1.26 -4.41 117.12 115.91 1h25 n MET 1 Ca 0.00 -0.35 0.23 0.00 -1.81 0.00 0.00 57.70 55.76 1h25 n MET 1 Cb 0.00 -1.49 0.43 0.00 -0.71 0.00 0.00 33.22 31.45 1h25 n MET 1 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1h25 n GLU 2 N -0.92 -0.07 0.00 0.03 2.13 -1.26 0.12 120.64 120.68 1h25 n GLU 2 Ca 0.09 1.37 0.08 0.00 0.66 0.00 0.00 57.16 59.37 1h25 n GLU 2 Cb 0.36 -2.33 0.39 0.00 0.27 0.00 0.00 31.44 30.13 1h25 n GLU 2 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1h25 n ASN 3 N -5.29 0.00 -4.63 4.31 3.02 -1.26 -4.77 115.26 106.65 1h25 n ASN 3 Ca 0.30 0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 54.83 1h25 n ASN 3 Cb 1.00 -0.42 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 1h25 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1h25 s PHE 4 N -2.84 3.16 -0.18 3.10 0.08 0.33 -0.61 117.98 121.01 1h25 s PHE 4 Ca 0.11 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.20 1h25 s PHE 4 Cb 0.11 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1h25 s PHE 4 CO 0.29 0.28 -0.11 -1.14 -0.10 0.00 0.00 175.22 174.45 1h25 s GLN 5 N -0.28 3.28 0.29 0.44 2.00 0.42 -4.92 119.66 120.88 1h25 s GLN 5 Ca 0.06 -0.69 -0.29 0.00 -2.00 0.00 0.00 55.36 52.44 1h25 s GLN 5 Cb -0.12 -2.79 -0.10 0.00 0.80 0.00 0.00 33.01 30.80 1h25 s GLN 5 CO 0.02 -0.08 1.22 0.15 -0.50 0.00 0.00 175.29 176.10 1h25 s LYS 6 N 1.10 4.48 -0.16 1.67 1.02 -1.26 0.28 119.74 126.86 1h25 s LYS 6 Ca 0.00 2.02 0.02 0.00 0.02 0.00 0.00 55.97 58.03 1h25 s LYS 6 Cb -0.14 -3.14 -0.11 0.00 -0.52 0.00 0.00 37.83 33.91 1h25 s LYS 6 CO -0.03 -0.03 -0.14 0.28 -0.92 0.00 0.00 175.35 174.51 1h25 n VAL 7 N 1.29 0.94 0.00 3.17 0.31 0.27 -4.89 118.33 119.42 1h25 n VAL 7 Ca 0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1h25 n VAL 7 Cb 0.43 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1h25 n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1h25 n GLU 8 N -2.97 -0.18 -2.71 5.55 0.28 -1.16 -5.03 120.64 114.43 1h25 n GLU 8 Ca -0.29 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.33 1h25 n GLU 8 Cb 0.81 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.63 1h25 n GLU 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1h25 s LYS 9 N -2.00 4.64 0.00 3.44 2.20 -1.26 -1.49 119.74 125.28 1h25 s LYS 9 Ca 0.00 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1h25 s LYS 9 Cb 0.00 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1h25 s LYS 9 CO 0.00 0.31 0.06 1.51 -0.36 0.00 0.00 175.35 176.87 1h25 n ILE 10 N 0.88 0.00 -2.05 5.43 3.06 0.32 -4.84 119.36 122.16 1h25 n ILE 10 Ca 0.01 -0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 1h25 n ILE 10 Cb 0.48 1.12 0.00 0.00 0.54 0.00 0.00 39.64 41.79 1h25 n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h25 n GLY 11 N 0.36 -0.62 3.64 4.50 0.00 -0.94 -4.96 105.19 107.18 1h25 n GLY 11 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 1h25 n GLY 11 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h25 s GLU 12 N -0.48 0.40 0.00 1.61 2.12 -1.26 -1.21 118.70 119.88 1h25 s GLU 12 Ca 0.00 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1h25 s GLU 12 Cb 0.00 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.58 1h25 s GLU 12 CO 0.00 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1h25 n GLY 13 N 2.16 5.26 0.12 -1.50 0.00 0.14 -4.92 105.19 106.45 1h25 n GLY 13 Ca -0.12 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 1h25 n GLY 13 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1h25 h THR 14 N 0.00 1.22 -0.03 2.61 1.35 -2.01 -3.35 112.91 112.70 1h25 h THR 14 Ca 0.00 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 1h25 h THR 14 Cb 0.00 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1h25 h THR 14 CO 0.00 0.84 0.00 0.00 -0.25 0.00 0.00 175.52 176.11 1h25 n TYR 15 N -3.54 0.01 -3.95 4.73 0.18 -1.26 -5.04 117.16 108.28 1h25 n TYR 15 Ca -0.16 -0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.63 1h25 n TYR 15 Cb 1.06 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 40.03 1h25 n TYR 15 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h25 n GLY 16 N 1.33 0.37 3.92 -7.48 0.00 -1.24 -3.96 105.19 98.12 1h25 n GLY 16 Ca 0.15 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 1h25 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h25 s VAL 17 N -2.07 5.17 -0.33 1.61 1.01 -1.26 -0.68 120.40 123.84 1h25 s VAL 17 Ca 0.19 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1h25 s VAL 17 Cb -0.00 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1h25 s VAL 17 CO -0.00 -0.14 0.09 -0.69 0.00 0.00 0.00 175.10 174.36 1h25 s VAL 18 N -1.85 3.70 0.10 2.92 1.01 -0.35 -3.94 120.40 122.00 1h25 s VAL 18 Ca 0.40 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1h25 s VAL 18 Cb -0.11 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1h25 s VAL 18 CO 0.28 -0.17 0.30 -0.31 0.00 0.00 0.00 175.10 175.20 1h25 s TYR 19 N 1.39 3.50 -0.15 5.22 1.51 -0.65 -0.52 117.35 127.65 1h25 s TYR 19 Ca -0.02 0.43 -0.08 0.00 -1.01 0.00 0.00 57.07 56.39 1h25 s TYR 19 Cb -0.20 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1h25 s TYR 19 CO 0.02 0.51 0.13 0.21 -1.11 0.00 0.00 175.55 175.32 1h25 s LYS 20 N -2.52 3.71 0.24 -0.62 2.20 -0.55 0.14 119.74 122.33 1h25 s LYS 20 Ca 0.37 -0.18 -0.13 0.00 -0.36 0.00 0.00 55.97 55.68 1h25 s LYS 20 Cb -0.13 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1h25 s LYS 20 CO 0.25 0.59 0.47 0.00 -0.36 0.00 0.00 175.35 176.30 1h25 s ALA 21 N -0.48 -0.26 -0.02 3.13 0.00 0.13 -0.57 121.76 123.68 1h25 s ALA 21 Ca 0.12 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1h25 s ALA 21 Cb -0.12 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1h25 s ALA 21 CO 0.02 -0.84 -0.09 -0.98 0.00 0.00 0.00 175.76 173.87 1h25 s ARG 22 N -4.01 0.95 -0.12 0.00 1.70 0.14 0.02 118.95 117.63 1h25 s ARG 22 Ca 0.21 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.86 1h25 s ARG 22 Cb -0.00 -0.89 -0.05 0.00 -0.57 0.00 0.00 34.95 33.44 1h25 s ARG 22 CO 0.08 0.13 1.72 1.21 -1.08 0.00 0.00 175.30 177.36 1h25 s ASN 23 N 0.13 6.43 0.51 -2.89 3.84 0.30 -0.44 114.94 122.82 1h25 s ASN 23 Ca -0.02 2.02 0.30 0.00 0.21 0.00 0.00 52.86 55.37 1h25 s ASN 23 Cb -0.08 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.26 1h25 s ASN 23 CO 0.00 -1.15 1.92 0.11 -2.79 0.00 0.00 177.10 175.19 1h25 h LYS 24 N 10.58 0.00 0.08 0.43 1.57 -1.19 0.53 116.57 128.56 1h25 h LYS 24 Ca -0.38 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.02 1h25 h LYS 24 Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.45 1h25 h LYS 24 CO 0.97 0.08 -2.19 1.28 -0.57 0.00 0.00 179.45 179.03 1h25 n LEU 25 N -3.21 2.77 -0.04 2.94 4.77 -1.26 -4.48 117.00 118.49 1h25 n LEU 25 Ca 0.00 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1h25 n LEU 25 Cb 0.36 -1.04 -0.14 0.00 -2.33 0.00 0.00 43.42 40.26 1h25 n LEU 25 CO 0.30 0.89 -0.81 0.35 -1.33 0.00 0.00 177.39 176.79 1h25 n THR 26 N -3.40 1.15 -0.29 -5.08 -2.24 -1.22 -4.98 114.28 98.21 1h25 n THR 26 Ca -0.37 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1h25 n THR 26 Cb 1.02 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1h25 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h25 n GLY 27 N 1.56 1.28 3.73 3.38 0.00 0.18 -5.02 105.19 110.30 1h25 n GLY 27 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1h25 n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h25 n GLU 28 N -2.00 2.62 -3.61 1.61 2.13 -1.25 -4.56 120.64 115.57 1h25 n GLU 28 Ca 0.00 0.93 -0.37 0.00 0.66 0.00 0.00 57.16 58.39 1h25 n GLU 28 Cb 0.00 -2.71 -0.06 0.00 0.27 0.00 0.00 31.44 28.94 1h25 n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1h25 s VAL 29 N 0.25 5.16 0.20 6.31 1.01 -1.26 -0.54 120.40 131.53 1h25 s VAL 29 Ca 0.67 0.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 1h25 s VAL 29 Cb -0.52 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1h25 s VAL 29 CO 0.45 0.48 0.44 0.68 0.00 0.00 0.00 175.10 177.15 1h25 s VAL 30 N -1.18 0.03 -0.18 2.92 -7.23 0.10 -3.82 120.40 111.03 1h25 s VAL 30 Ca 0.25 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 1h25 s VAL 30 Cb -0.15 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 1h25 s VAL 30 CO 0.13 -0.13 0.03 0.00 -0.31 0.00 0.00 175.10 174.82 1h25 s ALA 31 N -3.95 3.22 -0.19 1.32 0.00 -0.62 0.17 121.76 121.71 1h25 s ALA 31 Ca 0.16 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1h25 s ALA 31 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 1h25 s ALA 31 CO 0.02 0.09 0.05 -0.51 0.00 0.00 0.00 175.76 175.41 1h25 s LEU 32 N 0.56 3.70 -0.11 0.00 1.43 0.36 -0.53 118.68 124.10 1h25 s LEU 32 Ca 0.01 0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1h25 s LEU 32 Cb -0.13 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1h25 s LEU 32 CO 0.02 0.15 0.13 -0.54 0.23 0.00 0.00 176.35 176.34 1h25 s LYS 33 N 0.50 3.38 -0.14 1.70 1.02 -0.72 -1.63 119.74 123.85 1h25 s LYS 33 Ca 0.02 -0.18 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1h25 s LYS 33 Cb -0.13 -3.13 -0.00 0.00 -0.52 0.00 0.00 37.83 34.04 1h25 s LYS 33 CO 0.01 0.76 -0.17 0.21 -0.92 0.00 0.00 175.35 175.24 1h25 s LYS 34 N -1.10 3.22 -0.28 1.68 2.36 -1.25 -1.68 119.74 122.69 1h25 s LYS 34 Ca 0.16 -0.76 0.00 0.00 -2.55 0.00 0.00 55.97 52.82 1h25 s LYS 34 Cb -0.12 -2.55 0.09 0.00 -1.05 0.00 0.00 37.83 34.19 1h25 s LYS 34 CO 0.05 0.10 0.04 0.42 1.55 0.00 0.00 175.35 177.52 1h25 s ILE 35 N 0.59 1.29 0.18 5.43 1.01 0.10 -3.73 121.20 126.07 1h25 s ILE 35 Ca -0.10 -1.46 -0.33 0.00 0.00 0.00 0.00 60.65 58.77 1h25 s ILE 35 Cb -0.16 -1.84 -0.13 0.00 0.01 0.00 0.00 42.46 40.34 1h25 s ILE 35 CO 0.03 -0.47 1.69 0.54 0.00 0.00 0.00 174.94 176.74 1h25 n ARG 36 N 4.70 2.57 -3.48 2.79 1.74 -1.25 -0.17 116.66 123.55 1h25 n ARG 36 Ca -0.04 0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 57.59 1h25 n ARG 36 Cb 0.43 -2.76 -0.06 0.00 -1.02 0.00 0.00 32.46 29.05 1h25 n ARG 36 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h25 s LEU 37 N 1.28 4.38 -1.20 0.55 1.02 0.17 -4.82 118.68 120.05 1h25 s LEU 37 Ca 0.77 0.81 -0.07 0.00 0.02 0.00 0.00 54.13 55.67 1h25 s LEU 37 Cb -0.56 -2.54 0.22 0.00 0.02 0.00 0.00 46.19 43.33 1h25 s LEU 37 CO 0.35 0.21 1.77 0.47 0.02 0.00 0.00 176.35 179.17 1h25 n ASP 38 N 2.60 5.82 -4.51 2.29 8.00 -0.70 -4.86 116.55 125.19 1h25 n ASP 38 Ca -0.12 -3.24 -0.31 0.00 0.71 0.00 0.00 54.79 51.83 1h25 n ASP 38 Cb 0.52 -1.39 0.19 0.00 -0.02 0.00 0.00 41.12 40.42 1h25 n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1h25 n THR 39 N 2.40 0.00 0.00 -3.53 -1.04 -1.26 -1.24 114.28 109.60 1h25 n THR 39 Ca 0.36 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1h25 n THR 39 Cb 0.34 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1h25 n THR 39 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1h25 n GLU 40 N -3.70 0.00 0.00 -2.82 4.71 -1.26 -4.66 120.64 112.91 1h25 n GLU 40 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 1h25 n GLU 40 Cb 0.54 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 1h25 n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1h25 n THR 41 N -0.68 0.00 0.58 2.62 -2.24 -0.93 -5.01 114.28 108.63 1h25 n THR 41 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1h25 n THR 41 Cb 0.00 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 1h25 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h25 n GLU 42 N 0.00 2.28 0.00 -0.78 -0.58 -1.16 -5.08 120.64 115.32 1h25 n GLU 42 Ca 0.00 -2.04 0.00 0.00 -0.42 0.00 0.00 57.16 54.70 1h25 n GLU 42 Cb 0.00 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 1h25 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1h25 n GLY 43 N 1.34 1.21 3.71 0.62 0.00 -0.37 -4.75 105.19 106.95 1h25 n GLY 43 Ca 0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1h25 n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h25 s VAL 44 N 0.00 4.98 0.36 1.61 1.01 -1.26 -1.72 120.40 125.38 1h25 s VAL 44 Ca 0.00 1.61 -0.28 0.00 0.00 0.00 0.00 61.98 63.31 1h25 s VAL 44 Cb 0.00 -4.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1h25 s VAL 44 CO 0.00 0.19 1.38 -2.84 0.00 0.00 0.00 175.10 173.83 1h25 s PRO 45 N 1.08 4.18 0.48 2.72 0.02 -1.26 -4.87 135.00 137.36 1h25 s PRO 45 Ca 0.41 2.35 0.23 0.00 0.02 0.00 0.00 61.00 64.00 1h25 s PRO 45 Cb -0.18 -2.97 1.24 0.00 0.02 0.00 0.00 34.50 32.60 1h25 s PRO 45 CO 0.19 -0.38 2.01 0.66 -0.33 0.00 0.00 177.00 179.15 1h25 h SER 46 N 3.10 0.00 0.29 2.53 4.64 -1.95 -1.15 113.55 121.02 1h25 h SER 46 Ca -0.50 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 1h25 h SER 46 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1h25 h SER 46 CO 0.64 0.17 -0.25 0.71 -0.87 0.00 0.00 176.83 177.24 1h25 h THR 47 N 0.00 1.09 0.01 2.95 1.35 -1.90 -2.26 112.91 114.15 1h25 h THR 47 Ca -0.00 -0.87 -0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1h25 h THR 47 Cb 0.40 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1h25 h THR 47 CO 0.02 0.24 -0.00 0.00 -0.25 0.00 0.00 175.52 175.53 1h25 h ALA 48 N 1.75 -0.01 -0.89 6.62 0.00 -1.54 -2.11 119.26 123.09 1h25 h ALA 48 Ca -0.00 -0.41 0.14 0.00 0.00 0.00 0.00 54.91 54.64 1h25 h ALA 48 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1h25 h ALA 48 CO 0.03 -0.07 0.57 0.82 0.00 0.00 0.00 179.25 180.61 1h25 h ILE 49 N -0.89 0.84 0.51 0.00 2.04 -1.48 -0.33 117.51 118.20 1h25 h ILE 49 Ca -0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 1h25 h ILE 49 Cb 0.83 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1h25 h ILE 49 CO 0.00 0.13 -0.25 0.03 0.00 0.00 0.00 178.15 178.06 1h25 h ARG 50 N 0.70 -0.66 -0.60 2.37 3.08 -1.37 0.11 114.38 118.00 1h25 h ARG 50 Ca 0.45 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.66 1h25 h ARG 50 Cb 0.71 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.80 1h25 h ARG 50 CO -0.21 -0.43 -0.25 1.49 -1.07 0.00 0.00 179.97 179.50 1h25 h GLU 51 N -1.18 -0.09 0.58 0.04 4.81 -1.25 0.23 114.58 117.71 1h25 h GLU 51 Ca -0.07 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1h25 h GLU 51 Cb 0.53 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.94 1h25 h GLU 51 CO 0.12 -0.06 -0.28 0.82 -0.73 0.00 0.00 179.01 178.88 1h25 h ILE 52 N -0.10 0.18 -0.43 2.32 2.04 -1.11 0.20 117.51 120.61 1h25 h ILE 52 Ca 0.27 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1h25 h ILE 52 Cb 0.52 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1h25 h ILE 52 CO -0.67 0.03 -0.21 0.77 0.00 0.00 0.00 178.15 178.08 1h25 h SER 53 N -1.12 -0.71 0.18 1.72 4.64 -0.48 0.13 113.55 117.92 1h25 h SER 53 Ca -0.08 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1h25 h SER 53 Cb 0.64 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1h25 h SER 53 CO 0.13 -0.24 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.70 1h25 h LEU 54 N -0.12 -0.20 -1.48 5.97 3.38 -0.60 -2.96 115.31 119.30 1h25 h LEU 54 Ca 0.21 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.63 1h25 h LEU 54 Cb 0.44 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1h25 h LEU 54 CO -0.51 -0.09 1.05 -0.11 0.09 0.00 0.00 178.44 178.87 1h25 n LEU 55 N -2.93 0.03 0.21 1.67 7.94 0.69 0.17 117.00 124.78 1h25 n LEU 55 Ca -0.03 0.85 0.05 0.00 -1.11 0.00 0.00 56.01 55.77 1h25 n LEU 55 Cb 0.09 -0.42 0.47 0.00 0.53 0.00 0.00 43.42 44.10 1h25 n LEU 55 CO 0.07 -0.86 0.84 0.11 -1.11 0.00 0.00 177.39 176.44 1h25 h LYS 56 N 0.00 0.00 0.00 1.96 1.57 -0.56 -3.36 116.57 116.18 1h25 h LYS 56 Ca 0.74 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.52 1h25 h LYS 56 Cb 2.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.16 1h25 h LYS 56 CO -0.08 0.25 0.00 0.39 -0.57 0.00 0.00 179.45 179.44 1h25 n GLU 57 N -4.14 0.00 -0.81 3.15 -0.58 0.44 -4.78 120.64 113.92 1h25 n GLU 57 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1h25 n GLU 57 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 1h25 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1h25 n LEU 58 N 0.00 0.00 -4.01 -4.62 4.77 -1.25 -4.86 117.00 107.03 1h25 n LEU 58 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1h25 n LEU 58 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1h25 n LEU 58 CO 0.00 0.00 -0.02 0.21 -1.33 0.00 0.00 177.39 176.25 1h25 s ASN 59 N 0.00 4.90 0.06 -1.43 3.04 -1.26 -4.93 114.94 115.31 1h25 s ASN 59 Ca 0.00 -3.17 0.04 0.00 0.04 0.00 0.00 52.86 49.77 1h25 s ASN 59 Cb 0.00 -1.74 -0.03 0.00 -1.54 0.00 0.00 41.25 37.94 1h25 s ASN 59 CO 0.00 -0.25 -0.12 -2.28 -3.04 0.00 0.00 177.10 171.41 1h25 s HIS 60 N -0.52 1.05 0.15 0.43 2.46 -1.26 -5.04 115.29 112.56 1h25 s HIS 60 Ca 0.19 -0.44 0.31 0.00 0.47 0.00 0.00 55.06 55.59 1h25 s HIS 60 Cb -0.19 -0.61 1.69 0.00 -0.13 0.00 0.00 32.58 33.34 1h25 s HIS 60 CO -0.05 0.02 1.95 -1.35 -2.47 0.00 0.00 174.74 172.83 1h25 h PRO 61 N 4.50 0.00 -0.17 2.88 0.11 -1.97 -1.49 132.00 135.86 1h25 h PRO 61 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1h25 h PRO 61 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1h25 h PRO 61 CO 0.41 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.29 1h25 n ASN 62 N -2.59 2.61 -4.70 -2.05 4.13 -1.26 -4.92 115.26 106.47 1h25 n ASN 62 Ca -0.02 -2.21 -0.35 0.00 1.68 0.00 0.00 54.58 53.68 1h25 n ASN 62 Cb 0.05 -0.19 -0.09 0.00 -1.54 0.00 0.00 39.78 38.01 1h25 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1h25 s ILE 63 N -1.36 4.76 0.58 2.41 1.01 -0.56 0.74 121.20 128.77 1h25 s ILE 63 Ca 0.17 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 1h25 s ILE 63 Cb 0.11 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1h25 s ILE 63 CO 0.08 0.55 1.27 0.55 0.00 0.00 0.00 174.94 177.39 1h25 n VAL 64 N 2.67 4.14 -4.35 2.92 3.14 0.17 -4.71 118.33 122.30 1h25 n VAL 64 Ca -0.18 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.36 1h25 n VAL 64 Cb 0.53 -1.52 -0.11 0.00 -1.06 0.00 0.00 33.84 31.68 1h25 n VAL 64 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1h25 s LYS 65 N -2.99 3.59 -0.57 1.45 2.20 -1.26 -4.97 119.74 117.18 1h25 s LYS 65 Ca 0.76 -0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 55.67 1h25 s LYS 65 Cb -0.41 -2.93 0.06 0.00 -1.51 0.00 0.00 37.83 33.04 1h25 s LYS 65 CO 0.46 0.32 0.84 -1.17 -0.36 0.00 0.00 175.35 175.45 1h25 s LEU 66 N 0.15 4.53 0.21 5.43 2.96 -1.26 -0.92 118.68 129.78 1h25 s LEU 66 Ca -0.00 -0.79 0.14 0.00 -0.22 0.00 0.00 54.13 53.26 1h25 s LEU 66 Cb -0.13 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1h25 s LEU 66 CO 0.02 -1.19 1.29 -0.07 -1.32 0.00 0.00 176.35 175.08 1h25 h LEU 67 N 10.66 0.00 -7.04 -0.68 3.38 0.24 -3.48 115.31 118.39 1h25 h LEU 67 Ca -0.28 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.75 1h25 h LEU 67 Cb 1.08 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 1h25 h LEU 67 CO 1.08 0.60 0.37 -0.62 0.09 0.00 0.00 178.44 179.96 1h25 s ASP 68 N -6.36 -0.44 -0.29 -0.43 -1.08 -1.11 -4.97 116.67 101.99 1h25 s ASP 68 Ca 0.02 -0.03 -0.02 0.00 -0.52 0.00 0.00 52.55 52.01 1h25 s ASP 68 Cb 0.08 0.48 0.09 0.00 -1.46 0.00 0.00 42.92 42.12 1h25 s ASP 68 CO 0.77 -0.79 0.09 -0.69 0.52 0.00 0.00 175.17 175.07 1h25 s VAL 69 N -3.41 0.69 -0.25 1.11 1.01 -1.26 -1.17 120.40 117.13 1h25 s VAL 69 Ca 0.04 -1.17 -0.13 0.00 0.00 0.00 0.00 61.98 60.72 1h25 s VAL 69 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1h25 s VAL 69 CO -0.10 -0.60 0.28 -0.63 0.00 0.00 0.00 175.10 174.05 1h25 s ILE 70 N 1.72 5.26 0.23 2.22 1.01 -0.62 -4.95 121.20 126.07 1h25 s ILE 70 Ca 0.08 0.41 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 1h25 s ILE 70 Cb -0.17 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1h25 s ILE 70 CO -0.24 0.25 0.55 -1.00 0.00 0.00 0.00 174.94 174.50 1h25 s HIS 71 N 1.55 3.42 0.10 3.97 3.76 -1.26 -2.43 115.29 124.40 1h25 s HIS 71 Ca 0.12 0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 55.87 1h25 s HIS 71 Cb -0.15 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 1h25 s HIS 71 CO 0.08 0.27 0.09 0.99 -0.85 0.00 0.00 174.74 175.32 1h25 s THR 72 N -1.82 0.15 0.35 1.30 2.01 -0.92 -5.01 115.64 111.69 1h25 s THR 72 Ca 0.47 -1.63 0.08 0.00 0.31 0.00 0.00 61.69 60.92 1h25 s THR 72 Cb -0.11 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.85 1h25 s THR 72 CO 0.21 -0.67 1.84 -0.33 -0.69 0.00 0.00 174.62 174.98 1h25 h GLU 73 N 2.89 0.29 0.00 4.92 5.08 -2.03 -3.33 114.58 122.40 1h25 h GLU 73 Ca -0.34 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1h25 h GLU 73 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1h25 h GLU 73 CO 0.59 0.48 -0.33 0.09 -1.00 0.00 0.00 179.01 178.85 1h25 n ASN 74 N -4.20 0.94 -4.24 1.42 3.02 -1.26 -4.93 115.26 106.01 1h25 n ASN 74 Ca -0.01 -0.46 -0.24 0.00 -0.03 0.00 0.00 54.58 53.84 1h25 n ASN 74 Cb 0.33 1.03 -0.14 0.00 -0.61 0.00 0.00 39.78 40.39 1h25 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1h25 s LYS 75 N -1.45 1.24 -0.09 3.52 1.02 -1.25 0.43 119.74 123.17 1h25 s LYS 75 Ca 0.01 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.06 1h25 s LYS 75 Cb 0.02 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.94 1h25 s LYS 75 CO 0.12 0.34 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.55 1h25 s LEU 76 N -1.36 2.49 -0.15 3.17 2.96 0.76 -2.16 118.68 124.39 1h25 s LEU 76 Ca 0.06 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1h25 s LEU 76 Cb -0.09 -1.52 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1h25 s LEU 76 CO 0.02 0.23 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.81 1h25 s TYR 77 N -0.06 2.34 -0.04 5.38 2.02 -1.02 0.02 117.35 125.98 1h25 s TYR 77 Ca -0.04 -1.28 -0.05 0.00 -0.37 0.00 0.00 57.07 55.32 1h25 s TYR 77 Cb -0.14 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1h25 s TYR 77 CO 0.04 -0.66 0.19 -0.51 -1.57 0.00 0.00 175.55 173.04 1h25 s LEU 78 N 1.27 4.38 -0.28 -1.29 1.43 -0.67 -1.58 118.68 121.93 1h25 s LEU 78 Ca 0.02 0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1h25 s LEU 78 Cb -0.14 -2.44 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1h25 s LEU 78 CO -0.09 0.31 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 1h25 s VAL 79 N -1.21 2.36 0.24 -1.59 1.01 -0.31 -1.76 120.40 119.14 1h25 s VAL 79 Ca 0.23 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 60.57 1h25 s VAL 79 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1h25 s VAL 79 CO 0.13 -0.13 0.31 -0.36 0.00 0.00 0.00 175.10 175.04 1h25 s PHE 80 N 1.10 3.34 0.34 5.22 0.40 0.32 0.93 117.98 129.63 1h25 s PHE 80 Ca -0.05 -0.05 -0.27 0.00 -0.60 0.00 0.00 56.93 55.95 1h25 s PHE 80 Cb -0.20 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 41.72 1h25 s PHE 80 CO -0.05 0.47 1.17 -1.83 0.70 0.00 0.00 175.22 175.68 1h25 s GLU 81 N -3.94 4.34 -0.08 0.44 -1.05 -0.10 -1.59 118.70 116.72 1h25 s GLU 81 Ca 0.34 1.89 -0.27 0.00 -0.15 0.00 0.00 54.97 56.78 1h25 s GLU 81 Cb -0.09 -2.94 -0.02 0.00 -0.44 0.00 0.00 34.13 30.64 1h25 s GLU 81 CO 0.28 -0.09 0.86 0.12 0.95 0.00 0.00 175.26 177.37 1h25 s PHE 82 N -1.28 3.54 -0.10 4.83 5.36 -1.25 -4.49 117.98 124.60 1h25 s PHE 82 Ca 0.51 1.42 0.03 0.00 -0.96 0.00 0.00 56.93 57.92 1h25 s PHE 82 Cb -0.33 -3.00 -0.01 0.00 -0.34 0.00 0.00 43.02 39.34 1h25 s PHE 82 CO 0.42 -0.08 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.40 1h25 s LEU 83 N 1.42 2.39 0.29 6.12 1.43 -1.26 -4.96 118.68 124.12 1h25 s LEU 83 Ca 0.43 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1h25 s LEU 83 Cb -0.18 -1.49 0.61 0.00 0.03 0.00 0.00 46.19 45.16 1h25 s LEU 83 CO 0.19 0.20 1.83 1.12 0.23 0.00 0.00 176.35 179.92 1h25 h HIS 84 N 6.40 1.10 -3.49 0.29 2.07 -1.92 -3.46 115.15 116.15 1h25 h HIS 84 Ca -0.28 0.03 -0.13 0.00 -2.85 0.00 0.00 60.37 57.15 1h25 h HIS 84 Cb 1.21 -0.35 -0.03 0.00 2.57 0.00 0.00 27.41 30.80 1h25 h HIS 84 CO 0.48 0.40 0.07 1.14 -3.07 0.00 0.00 177.93 176.95 1h25 s GLN 85 N -5.91 2.09 0.30 5.12 -2.07 -1.16 -5.04 119.66 112.99 1h25 s GLN 85 Ca -0.12 -1.57 0.09 0.00 -1.82 0.00 0.00 55.36 51.94 1h25 s GLN 85 Cb 0.23 0.55 -0.04 0.00 -1.09 0.00 0.00 33.01 32.65 1h25 s GLN 85 CO 0.81 -0.94 0.08 0.16 -1.32 0.00 0.00 175.29 174.08 1h25 s ASP 86 N -3.14 4.70 0.14 12.60 1.47 -1.26 -0.65 116.67 130.53 1h25 s ASP 86 Ca 0.22 -0.66 -0.19 0.00 1.18 0.00 0.00 52.55 53.10 1h25 s ASP 86 Cb -0.03 -0.85 0.02 0.00 -0.34 0.00 0.00 42.92 41.72 1h25 s ASP 86 CO 0.15 -0.13 1.69 0.25 0.68 0.00 0.00 175.17 177.82 1h25 h LEU 87 N 1.70 -0.25 0.11 2.11 5.85 0.11 -1.85 115.31 123.09 1h25 h LEU 87 Ca -0.44 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1h25 h LEU 87 Cb 1.25 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1h25 h LEU 87 CO 0.62 -0.09 -0.38 0.50 -0.34 0.00 0.00 178.44 178.75 1h25 h LYS 88 N 0.01 -0.58 -0.67 1.25 3.64 -1.65 0.11 116.57 118.67 1h25 h LYS 88 Ca 0.13 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.75 1h25 h LYS 88 Cb 0.20 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1h25 h LYS 88 CO -0.28 -0.39 0.48 -0.22 -2.27 0.00 0.00 179.45 176.77 1h25 h LYS 89 N -0.60 0.00 0.27 1.90 3.64 -1.71 -1.67 116.57 118.40 1h25 h LYS 89 Ca 0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1h25 h LYS 89 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1h25 h LYS 89 CO -0.23 0.00 -0.13 0.35 -2.27 0.00 0.00 179.45 177.17 1h25 h PHE 90 N 0.00 -0.33 -0.58 1.91 3.57 -0.07 -2.50 116.94 118.93 1h25 h PHE 90 Ca 0.32 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.92 1h25 h PHE 90 Cb 1.28 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 40.02 1h25 h PHE 90 CO 0.00 0.02 -0.20 0.52 -2.23 0.00 0.00 178.31 176.42 1h25 h MET 91 N -0.91 -0.06 -0.38 1.11 2.86 -0.18 0.15 114.93 117.52 1h25 h MET 91 Ca -0.04 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1h25 h MET 91 Cb 0.51 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 1h25 h MET 91 CO 0.06 -0.04 -0.19 -0.44 1.06 0.00 0.00 176.91 177.36 1h25 h ASP 92 N -0.06 -0.64 -0.00 1.22 3.32 -1.43 0.98 116.42 119.81 1h25 h ASP 92 Ca 0.27 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1h25 h ASP 92 Cb 0.48 0.35 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1h25 h ASP 92 CO -0.62 -0.22 0.00 0.00 -1.72 0.00 0.00 179.24 176.68 1h25 h ALA 93 N 1.14 1.26 -0.49 3.45 0.00 -0.49 -1.72 119.26 122.41 1h25 h ALA 93 Ca 0.19 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.76 1h25 h ALA 93 Cb 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.97 1h25 h ALA 93 CO -0.46 -0.00 -0.41 0.43 0.00 0.00 0.00 179.25 178.81 1h25 n SER 94 N -3.46 3.77 0.06 0.00 7.64 0.31 -4.70 113.62 117.25 1h25 n SER 94 Ca -0.03 -3.81 -0.04 0.00 1.01 0.00 0.00 58.87 56.00 1h25 n SER 94 Cb 0.08 -0.52 0.16 0.00 -1.01 0.00 0.00 64.21 62.92 1h25 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h25 h ALA 95 N 1.58 0.96 0.00 -0.43 0.00 0.24 -2.69 119.26 118.92 1h25 h ALA 95 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1h25 h ALA 95 Cb 1.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1h25 h ALA 95 CO 0.56 0.64 -0.37 1.28 0.00 0.00 0.00 179.25 181.35 1h25 n LEU 96 N -3.99 1.27 0.00 0.00 4.77 -1.26 -4.33 117.00 113.46 1h25 n LEU 96 Ca -0.02 0.51 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1h25 n LEU 96 Cb 0.52 -0.76 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1h25 n LEU 96 CO 0.43 -0.48 0.50 0.35 -1.33 0.00 0.00 177.39 176.87 1h25 n THR 97 N -3.91 1.50 -1.13 -5.08 -2.24 -1.26 -4.95 114.28 97.21 1h25 n THR 97 Ca -0.05 0.37 0.14 0.00 -2.27 0.00 0.00 64.05 62.24 1h25 n THR 97 Cb 0.19 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 67.02 1h25 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h25 n GLY 98 N -1.18 -2.95 3.62 3.38 0.00 -1.01 -4.81 105.19 102.24 1h25 n GLY 98 Ca 0.01 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1h25 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h25 s ILE 99 N -3.62 4.99 0.54 -0.61 1.01 -1.26 -4.91 121.20 117.34 1h25 s ILE 99 Ca 0.00 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1h25 s ILE 99 Cb 0.00 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 1h25 s ILE 99 CO 0.00 0.39 0.41 -2.65 0.00 0.00 0.00 174.94 173.09 1h25 n PRO 100 N 4.06 0.42 0.07 2.79 -0.02 -1.26 -4.83 135.00 136.22 1h25 n PRO 100 Ca -0.16 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1h25 n PRO 100 Cb 0.52 -1.55 0.15 0.00 -0.02 0.00 0.00 33.50 32.60 1h25 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1h25 h LEU 101 N 0.24 0.35 -0.15 2.45 7.12 -1.98 -2.89 115.31 120.44 1h25 h LEU 101 Ca -0.44 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.36 1h25 h LEU 101 Cb 1.41 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 1h25 h LEU 101 CO 0.46 0.79 -0.05 -0.65 -0.13 0.00 0.00 178.44 178.86 1h25 h PRO 102 N 0.26 0.31 -0.81 5.25 0.11 -1.99 -2.65 132.00 132.47 1h25 h PRO 102 Ca 0.01 -0.12 0.20 0.00 0.11 0.00 0.00 66.00 66.19 1h25 h PRO 102 Cb 0.97 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 1h25 h PRO 102 CO 0.08 0.61 0.18 1.25 -0.21 0.00 0.00 178.00 179.90 1h25 h LEU 103 N -0.01 -0.05 -1.40 2.35 5.85 -1.91 0.84 115.31 120.98 1h25 h LEU 103 Ca 0.04 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1h25 h LEU 103 Cb 0.50 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1h25 h LEU 103 CO 0.02 -0.12 0.44 0.40 -0.34 0.00 0.00 178.44 178.84 1h25 h ILE 104 N 0.22 1.09 -0.17 4.05 2.04 -1.30 0.12 117.51 123.56 1h25 h ILE 104 Ca 0.48 -0.27 -0.18 0.00 1.00 0.00 0.00 64.86 65.90 1h25 h ILE 104 Cb 0.91 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1h25 h ILE 104 CO -0.61 0.14 -0.59 0.50 0.00 0.00 0.00 178.15 177.59 1h25 h LYS 105 N 0.78 0.70 -0.30 2.37 3.64 0.79 -1.52 116.57 123.03 1h25 h LYS 105 Ca 0.26 -0.53 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1h25 h LYS 105 Cb 0.07 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1h25 h LYS 105 CO -0.07 1.15 0.12 1.03 -2.27 0.00 0.00 179.45 179.41 1h25 h SER 106 N 0.40 0.42 -0.51 4.20 0.87 0.13 -1.35 113.55 117.72 1h25 h SER 106 Ca -0.03 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 1h25 h SER 106 Cb 1.22 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 1h25 h SER 106 CO 0.13 0.47 0.22 1.88 -0.53 0.00 0.00 176.83 178.99 1h25 h TYR 107 N 0.34 0.76 0.00 2.24 0.05 -0.83 -2.14 116.97 117.40 1h25 h TYR 107 Ca 0.10 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1h25 h TYR 107 Cb 0.18 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1h25 h TYR 107 CO -0.01 0.62 -0.07 1.25 -1.05 0.00 0.00 178.16 178.90 1h25 h LEU 108 N 0.68 0.00 0.05 3.88 5.85 -1.12 -0.27 115.31 124.38 1h25 h LEU 108 Ca 0.17 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1h25 h LEU 108 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1h25 h LEU 108 CO -0.02 0.07 -0.02 0.15 -0.34 0.00 0.00 178.44 178.28 1h25 h PHE 109 N 0.00 -0.06 -0.03 1.25 3.57 -0.75 -2.67 116.94 118.26 1h25 h PHE 109 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1h25 h PHE 109 Cb 0.45 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1h25 h PHE 109 CO 0.00 0.43 -0.28 1.96 -2.23 0.00 0.00 178.31 178.18 1h25 h GLN 110 N -0.97 0.05 -0.50 1.11 4.20 -1.36 0.19 115.11 117.83 1h25 h GLN 110 Ca -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1h25 h GLN 110 Cb 0.51 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 1h25 h GLN 110 CO 0.01 0.33 0.23 -0.07 -0.67 0.00 0.00 178.83 178.66 1h25 h LEU 111 N 0.04 0.62 -0.14 1.46 3.38 -1.11 -0.04 115.31 119.53 1h25 h LEU 111 Ca 0.00 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 1h25 h LEU 111 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1h25 h LEU 111 CO 0.04 0.54 -0.85 -0.07 0.09 0.00 0.00 178.44 178.19 1h25 h LEU 112 N 0.70 0.00 -0.80 1.67 3.38 -0.74 -1.73 115.31 117.78 1h25 h LEU 112 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1h25 h LEU 112 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1h25 h LEU 112 CO -0.02 0.85 0.28 1.56 0.09 0.00 0.00 178.44 181.19 1h25 h GLN 113 N 0.00 1.17 -0.26 1.13 4.20 0.80 -1.64 115.11 120.51 1h25 h GLN 113 Ca -0.01 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.35 1h25 h GLN 113 Cb 1.59 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.18 1h25 h GLN 113 CO 0.11 0.96 -0.31 0.78 -0.67 0.00 0.00 178.83 179.70 1h25 h GLY 114 N 1.14 0.72 0.99 3.46 0.00 -0.96 -2.83 103.07 105.59 1h25 h GLY 114 Ca 0.25 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1h25 h GLY 114 CO -0.02 0.70 0.14 -2.00 0.00 0.00 0.00 176.54 175.36 1h25 h LEU 115 N 0.39 0.82 -1.06 3.11 5.85 -1.05 -1.92 115.31 121.46 1h25 h LEU 115 Ca 0.03 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1h25 h LEU 115 Cb 0.89 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1h25 h LEU 115 CO 0.07 0.83 0.63 0.00 -0.34 0.00 0.00 178.44 179.63 1h25 h ALA 116 N 1.02 1.31 -0.56 1.25 0.00 -1.34 0.19 119.26 121.13 1h25 h ALA 116 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h25 h ALA 116 Cb 0.33 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1h25 h ALA 116 CO -0.00 0.64 0.34 0.35 0.00 0.00 0.00 179.25 180.57 1h25 h PHE 117 N 1.29 0.75 0.41 0.00 3.57 -1.18 0.31 116.94 122.09 1h25 h PHE 117 Ca 0.35 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1h25 h PHE 117 Cb -0.14 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.36 1h25 h PHE 117 CO 0.00 0.52 -0.20 0.00 -2.23 0.00 0.00 178.31 176.40 1h25 h HIS 119 N -0.63 -0.06 -0.80 0.00 3.86 -0.81 0.18 115.15 116.90 1h25 h HIS 119 Ca -0.06 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.37 1h25 h HIS 119 Cb 0.47 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1h25 h HIS 119 CO -0.03 -0.06 0.55 0.77 0.86 0.00 0.00 177.93 180.02 1h25 h SER 120 N 0.04 0.19 -0.80 2.45 0.02 -0.38 -0.28 113.55 114.79 1h25 h SER 120 Ca 0.10 0.02 -0.37 0.00 -0.84 0.00 0.00 61.79 60.71 1h25 h SER 120 Cb 0.15 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 62.45 1h25 h SER 120 CO -0.20 0.08 0.46 1.41 -1.14 0.00 0.00 176.83 177.45 1h25 n HIS 121 N -4.40 2.51 -3.73 3.45 8.25 0.60 -4.93 115.22 116.97 1h25 n HIS 121 Ca 0.16 -1.47 -0.23 0.00 -0.26 0.00 0.00 57.72 55.92 1h25 n HIS 121 Cb 0.74 -0.78 0.04 0.00 1.12 0.00 0.00 29.99 31.10 1h25 n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1h25 n ARG 122 N -0.65 -5.26 -3.64 -0.41 -4.01 -0.12 -4.93 116.66 97.65 1h25 n ARG 122 Ca 0.47 0.64 -0.20 0.00 -1.04 0.00 0.00 57.85 57.71 1h25 n ARG 122 Cb 1.44 -5.31 -0.16 0.00 -3.04 0.00 0.00 32.46 25.39 1h25 n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1h25 s VAL 123 N -3.56 -0.17 -0.01 8.89 1.01 -0.95 -0.81 120.40 124.79 1h25 s VAL 123 Ca 0.16 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 1h25 s VAL 123 Cb -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.90 1h25 s VAL 123 CO 0.81 0.02 0.56 -0.76 0.00 0.00 0.00 175.10 175.73 1h25 s LEU 124 N 2.22 4.41 -0.11 3.92 1.43 0.23 -3.80 118.68 126.98 1h25 s LEU 124 Ca 0.04 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.11 1h25 s LEU 124 Cb -0.13 -2.86 -0.11 0.00 0.03 0.00 0.00 46.19 43.11 1h25 s LEU 124 CO -0.06 0.12 0.40 -0.74 0.23 0.00 0.00 176.35 176.29 1h25 h HIS 125 N 5.63 -0.04 0.00 0.29 -0.00 -1.92 -0.11 115.15 119.00 1h25 h HIS 125 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1h25 h HIS 125 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1h25 h HIS 125 CO 0.66 0.37 0.00 0.54 -0.00 0.00 0.00 177.93 179.49 1h25 n ARG 126 N -4.75 -0.50 -2.70 5.26 1.74 -1.26 -2.96 116.66 111.49 1h25 n ARG 126 Ca -0.05 0.13 -0.06 0.00 -0.77 0.00 0.00 57.85 57.10 1h25 n ARG 126 Cb 0.21 -3.51 0.08 0.00 -1.02 0.00 0.00 32.46 28.22 1h25 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1h25 n ASP 127 N -0.25 -0.33 -4.64 0.55 2.03 -1.26 -3.23 116.55 109.42 1h25 n ASP 127 Ca 0.00 -2.47 -0.43 0.00 0.52 0.00 0.00 54.79 52.41 1h25 n ASP 127 Cb 0.13 0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 1h25 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1h25 s LEU 128 N -3.36 3.98 0.10 -2.67 1.43 -1.26 -4.77 118.68 112.13 1h25 s LEU 128 Ca 0.23 1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 54.20 1h25 s LEU 128 Cb 0.42 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 43.20 1h25 s LEU 128 CO -0.05 -0.81 0.40 -1.59 0.23 0.00 0.00 176.35 174.54 1h25 s LYS 129 N 3.48 1.02 0.44 1.70 -2.85 -1.26 -4.84 119.74 117.43 1h25 s LYS 129 Ca 0.43 -0.59 0.26 0.00 -1.00 0.00 0.00 55.97 55.07 1h25 s LYS 129 Cb -0.13 0.45 1.29 0.00 -2.06 0.00 0.00 37.83 37.38 1h25 s LYS 129 CO 0.13 -0.38 1.74 -1.35 0.10 0.00 0.00 175.35 175.60 1h25 h PRO 130 N 2.58 0.22 0.00 1.78 0.11 -1.93 0.44 132.00 135.20 1h25 h PRO 130 Ca -0.33 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1h25 h PRO 130 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1h25 h PRO 130 CO 0.46 0.15 -0.11 1.96 -0.21 0.00 0.00 178.00 180.25 1h25 h GLN 131 N 0.23 0.00 -0.50 1.05 7.50 -1.92 -0.36 115.11 121.12 1h25 h GLN 131 Ca 0.64 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.65 1h25 h GLN 131 Cb 1.96 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 29.41 1h25 h GLN 131 CO -0.25 0.11 0.11 0.09 -1.50 0.00 0.00 178.83 177.39 1h25 n ASN 132 N -3.49 4.01 -4.04 1.46 3.02 0.15 -4.83 115.26 111.55 1h25 n ASN 132 Ca -0.01 -3.28 -0.29 0.00 -0.03 0.00 0.00 54.58 50.97 1h25 n ASN 132 Cb 0.25 -0.66 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 1h25 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h25 s LEU 133 N -3.00 1.68 0.08 3.41 1.43 -1.17 -1.37 118.68 119.75 1h25 s LEU 133 Ca 0.49 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 1h25 s LEU 133 Cb 0.40 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1h25 s LEU 133 CO 0.09 -0.01 0.03 -0.76 0.23 0.00 0.00 176.35 175.92 1h25 s LEU 134 N 1.16 3.58 -0.00 1.79 1.43 0.34 -0.28 118.68 126.69 1h25 s LEU 134 Ca -0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1h25 s LEU 134 Cb -0.14 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1h25 s LEU 134 CO -0.04 0.18 -0.08 0.27 0.23 0.00 0.00 176.35 176.91 1h25 s ILE 135 N -1.32 0.60 0.38 -0.59 -4.36 0.18 0.15 121.20 116.23 1h25 s ILE 135 Ca 0.26 -0.39 0.06 0.00 -0.26 0.00 0.00 60.65 60.32 1h25 s ILE 135 Cb -0.12 -0.52 0.06 0.00 1.25 0.00 0.00 42.46 43.13 1h25 s ILE 135 CO 0.19 0.12 0.47 -0.46 0.24 0.00 0.00 174.94 175.50 1h25 n ASN 136 N 2.77 1.58 0.17 4.36 0.23 0.05 -2.97 115.26 121.45 1h25 n ASN 136 Ca -0.14 -2.07 0.05 0.00 -0.53 0.00 0.00 54.58 51.89 1h25 n ASN 136 Cb 0.57 -0.22 0.19 0.00 -2.08 0.00 0.00 39.78 38.24 1h25 n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1h25 h THR 137 N 0.20 0.75 -0.00 5.53 1.35 -1.99 -3.30 112.91 115.46 1h25 h THR 137 Ca -0.19 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 1h25 h THR 137 Cb 0.83 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1h25 h THR 137 CO 0.28 0.38 -0.00 -0.62 -0.25 0.00 0.00 175.52 175.31 1h25 n GLU 138 N -3.31 0.91 0.00 4.72 1.02 -1.26 -4.88 120.64 117.84 1h25 n GLU 138 Ca 0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1h25 n GLU 138 Cb 0.61 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1h25 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h25 n GLY 139 N 1.07 0.85 3.85 0.62 0.00 -1.24 -4.82 105.19 105.52 1h25 n GLY 139 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1h25 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h25 s ALA 140 N -2.00 3.67 0.02 4.61 0.00 -1.26 -4.86 121.76 121.94 1h25 s ALA 140 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.77 1h25 s ALA 140 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1h25 s ALA 140 CO 0.00 0.51 -0.20 -1.50 0.00 0.00 0.00 175.76 174.56 1h25 s ILE 141 N -1.33 1.63 0.08 0.00 2.07 -1.26 -0.77 121.20 121.62 1h25 s ILE 141 Ca 0.32 -1.08 0.01 0.00 -1.41 0.00 0.00 60.65 58.50 1h25 s ILE 141 Cb -0.15 -1.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.01 1h25 s ILE 141 CO 0.17 0.29 -0.06 -0.54 -1.91 0.00 0.00 174.94 172.89 1h25 s LYS 142 N -0.93 0.73 0.31 3.50 1.02 0.39 -4.67 119.74 120.09 1h25 s LYS 142 Ca 0.07 -1.20 -0.28 0.00 0.02 0.00 0.00 55.97 54.58 1h25 s LYS 142 Cb -0.08 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.01 1h25 s LYS 142 CO 0.01 -0.03 1.03 -0.51 -0.92 0.00 0.00 175.35 174.93 1h25 s LEU 143 N -2.75 4.43 0.00 3.17 1.43 0.23 -0.51 118.68 124.67 1h25 s LEU 143 Ca 0.07 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1h25 s LEU 143 Cb 0.03 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1h25 s LEU 143 CO -0.05 -0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.36 1h25 n ALA 144 N 0.81 0.00 -3.73 4.21 0.00 -0.47 0.45 120.51 121.78 1h25 n ALA 144 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1h25 n ALA 144 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1h25 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1h25 n ASP 145 N -0.84 -5.16 -0.94 0.00 -0.08 -1.26 -4.85 116.55 103.42 1h25 n ASP 145 Ca 0.00 -0.90 -0.01 0.00 -1.51 0.00 0.00 54.79 52.37 1h25 n ASP 145 Cb 0.00 -2.21 0.02 0.00 2.34 0.00 0.00 41.12 41.27 1h25 n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1h25 n PHE 146 N -2.89 0.21 -0.20 -0.67 3.01 -1.26 -4.36 117.46 111.31 1h25 n PHE 146 Ca -0.25 -0.43 -0.09 0.00 1.01 0.00 0.00 57.45 57.70 1h25 n PHE 146 Cb 0.65 -0.25 0.02 0.00 -0.01 0.00 0.00 39.48 39.89 1h25 n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1h25 h GLY 147 N 4.14 0.97 -2.48 1.37 0.00 -1.88 -2.77 103.07 102.42 1h25 h GLY 147 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1h25 h GLY 147 CO 0.07 0.58 0.00 1.04 0.00 0.00 0.00 176.54 178.23 1h25 n LEU 148 N -4.38 3.63 -4.55 3.11 4.32 -1.26 -4.71 117.00 113.16 1h25 n LEU 148 Ca 0.02 -1.78 -0.29 0.00 -0.02 0.00 0.00 56.01 53.94 1h25 n LEU 148 Cb 0.25 -0.43 0.23 0.00 -1.62 0.00 0.00 43.42 41.85 1h25 n LEU 148 CO 0.41 0.89 0.57 0.00 -1.22 0.00 0.00 177.39 178.03 1h25 s ALA 149 N -1.14 0.18 -0.17 -1.18 0.00 -1.04 -4.72 121.76 113.69 1h25 s ALA 149 Ca 0.45 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1h25 s ALA 149 Cb 0.24 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.40 1h25 s ALA 149 CO 0.31 -3.57 0.92 0.50 0.00 0.00 0.00 175.76 173.92 1h25 s ARG 150 N -4.94 0.69 -0.48 0.00 6.06 -0.06 -4.91 118.95 115.31 1h25 s ARG 150 Ca 0.68 0.32 -0.24 0.00 -2.50 0.00 0.00 55.73 54.00 1h25 s ARG 150 Cb -0.18 0.33 0.03 0.00 0.06 0.00 0.00 34.95 35.19 1h25 s ARG 150 CO 0.59 -0.18 0.86 0.00 -2.50 0.00 0.00 175.30 174.07 1h25 s ALA 151 N -0.74 3.24 -0.20 6.12 0.00 -1.26 0.74 121.76 129.67 1h25 s ALA 151 Ca -0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1h25 s ALA 151 Cb -0.02 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1h25 s ALA 151 CO 0.02 -2.09 0.59 -0.59 0.00 0.00 0.00 175.76 173.69 1h25 s PHE 152 N 3.57 3.37 1.22 0.00 -0.71 0.01 -4.93 117.98 120.51 1h25 s PHE 152 Ca 0.31 0.87 -0.20 0.00 -1.04 0.00 0.00 56.93 56.87 1h25 s PHE 152 Cb -0.12 -2.75 0.30 0.00 -1.21 0.00 0.00 43.02 39.23 1h25 s PHE 152 CO 0.22 -0.15 1.12 0.20 -1.34 0.00 0.00 175.22 175.27 1h25 s GLY 153 N 1.19 1.59 -0.11 1.99 0.00 -1.26 -4.71 107.32 106.02 1h25 s GLY 153 Ca 0.27 -1.03 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1h25 s GLY 153 CO 0.10 -0.12 0.06 0.14 0.00 0.00 0.00 173.10 173.29 1h25 s VAL 154 N -3.05 -0.00 0.94 1.40 1.01 -1.26 -2.89 120.40 116.55 1h25 s VAL 154 Ca 0.72 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 1h25 s VAL 154 Cb -0.08 -0.43 0.15 0.00 0.00 0.00 0.00 36.38 36.02 1h25 s VAL 154 CO 0.56 -0.03 1.16 -2.16 0.00 0.00 0.00 175.10 174.62 1h25 s PRO 155 N 2.11 0.93 0.43 2.72 0.04 -1.26 -5.13 135.00 134.84 1h25 s PRO 155 Ca 0.03 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 61.02 1h25 s PRO 155 Cb -0.14 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1h25 s PRO 155 CO -0.06 -2.32 1.00 0.14 0.04 0.00 0.00 177.00 175.80 1h25 s VAL 156 N -3.34 4.03 0.17 -0.36 -7.23 -1.14 -5.08 120.40 107.45 1h25 s VAL 156 Ca 0.65 1.35 0.01 0.00 -1.81 0.00 0.00 61.98 62.19 1h25 s VAL 156 Cb -0.13 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1h25 s VAL 156 CO 0.53 -0.19 0.08 -2.11 -0.31 0.00 0.00 175.10 173.11 1h25 n ARG 157 N -0.55 1.37 -1.92 4.82 1.85 -1.26 -4.93 116.66 116.04 1h25 n ARG 157 Ca 0.07 -1.11 -0.43 0.00 -1.00 0.00 0.00 57.85 55.38 1h25 n ARG 157 Cb 0.52 0.18 -0.03 0.00 -1.05 0.00 0.00 32.46 32.09 1h25 n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1h25 s THR 158 N -1.10 3.43 -0.86 8.89 2.01 -1.26 -4.68 115.64 122.07 1h25 s THR 158 Ca 0.06 0.50 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1h25 s THR 158 Cb -0.01 -3.40 0.23 0.00 0.01 0.00 0.00 72.50 69.33 1h25 s THR 158 CO 0.04 -0.14 0.83 -1.22 -0.69 0.00 0.00 174.62 173.45 1h25 n TYR 159 N 8.44 3.81 0.00 4.92 4.01 -1.26 -5.13 117.16 131.95 1h25 n TYR 159 Ca 0.20 -3.98 0.00 0.00 -0.16 0.00 0.00 57.90 53.96 1h25 n TYR 159 Cb 0.44 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 1h25 n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1h25 n HIS 161 N 1.90 0.00 -2.19 -0.72 -0.00 -1.26 -5.11 115.22 107.84 1h25 n HIS 161 Ca 0.23 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 58.10 1h25 n HIS 161 Cb 0.37 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.19 1h25 n HIS 161 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1h25 s GLU 162 N -0.85 2.86 -0.10 1.57 2.56 -1.26 -4.86 118.70 118.63 1h25 s GLU 162 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 54.97 53.70 1h25 s GLU 162 Cb 0.00 -5.27 0.03 0.00 2.00 0.00 0.00 34.13 30.88 1h25 s GLU 162 CO 0.00 -3.43 0.29 0.08 -0.56 0.00 0.00 175.26 171.64 1h25 s VAL 163 N 9.17 0.01 0.03 3.70 1.01 -1.26 -5.09 120.40 127.97 1h25 s VAL 163 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1h25 s VAL 163 Cb -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1h25 s VAL 163 CO 0.08 -0.04 0.00 0.52 0.00 0.00 0.00 175.10 175.66 1h25 n VAL 164 N 2.69 -3.80 -1.59 2.92 0.31 -1.20 -4.92 118.33 112.73 1h25 n VAL 164 Ca -0.14 0.53 -0.46 0.00 -0.01 0.00 0.00 64.34 64.26 1h25 n VAL 164 Cb 0.58 -2.66 -0.02 0.00 -0.91 0.00 0.00 33.84 30.82 1h25 n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1h25 n THR 165 N 0.29 1.55 -0.30 2.52 -1.04 -1.26 -4.65 114.28 111.39 1h25 n THR 165 Ca 0.00 -0.39 -0.08 0.00 -2.04 0.00 0.00 64.05 61.54 1h25 n THR 165 Cb 0.00 -1.00 -0.07 0.00 -1.82 0.00 0.00 70.33 67.44 1h25 n THR 165 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1h25 n LEU 166 N 1.56 -0.75 -0.21 -4.42 7.94 -1.26 -0.85 117.00 119.00 1h25 n LEU 166 Ca 0.11 1.50 0.16 0.00 -1.11 0.00 0.00 56.01 56.67 1h25 n LEU 166 Cb 0.30 -0.28 0.49 0.00 0.53 0.00 0.00 43.42 44.46 1h25 n LEU 166 CO 0.61 -1.15 1.22 -0.50 -1.11 0.00 0.00 177.39 176.46 1h25 h TRP 167 N 0.00 0.55 -0.57 1.96 6.55 -1.89 0.15 115.95 122.70 1h25 h TRP 167 Ca 0.11 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.97 1h25 h TRP 167 Cb 0.29 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1h25 h TRP 167 CO -0.95 0.18 0.00 0.66 -1.05 0.00 0.00 178.44 177.28 1h25 n TYR 168 N -4.50 0.85 -2.59 0.49 4.01 -0.03 -4.66 117.16 110.72 1h25 n TYR 168 Ca 0.17 -0.40 -0.41 0.00 -0.16 0.00 0.00 57.90 57.09 1h25 n TYR 168 Cb 0.59 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.54 1h25 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1h25 s ARG 169 N -1.32 4.62 0.19 -0.72 3.52 0.51 -4.29 118.95 121.47 1h25 s ARG 169 Ca 0.39 1.62 -0.16 0.00 -0.13 0.00 0.00 55.73 57.44 1h25 s ARG 169 Cb 0.21 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 30.21 1h25 s ARG 169 CO 0.25 0.11 0.63 0.00 -0.81 0.00 0.00 175.30 175.48 1h25 s ALA 170 N -0.06 3.50 0.24 6.12 0.00 -1.26 -4.90 121.76 125.39 1h25 s ALA 170 Ca 0.49 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 1h25 s ALA 170 Cb -0.27 -2.65 0.33 0.00 0.00 0.00 0.00 23.12 20.53 1h25 s ALA 170 CO 0.32 0.40 1.60 -1.00 0.00 0.00 0.00 175.76 177.09 1h25 h PRO 171 N 3.40 0.00 -0.59 0.00 0.13 -1.96 1.06 132.00 134.05 1h25 h PRO 171 Ca -0.48 -0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.82 1h25 h PRO 171 Cb 1.19 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1h25 h PRO 171 CO 0.66 0.00 1.08 1.05 -0.23 0.00 0.00 178.00 180.56 1h25 h GLU 172 N 0.00 0.00 0.00 0.86 4.11 -1.93 0.26 114.58 117.88 1h25 h GLU 172 Ca 0.37 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.44 1h25 h GLU 172 Cb 0.57 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1h25 h GLU 172 CO -0.79 0.00 -2.36 -0.89 0.07 0.00 0.00 179.01 175.04 1h25 n ILE 173 N -2.97 1.37 -0.23 -1.06 5.41 0.36 -1.38 119.36 120.85 1h25 n ILE 173 Ca 0.13 -0.52 -0.06 0.00 1.00 0.00 0.00 62.75 63.31 1h25 n ILE 173 Cb 1.26 -1.36 0.05 0.00 -0.71 0.00 0.00 39.64 38.87 1h25 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1h25 h LEU 174 N -0.03 0.77 0.00 1.39 3.38 -0.29 0.28 115.31 120.81 1h25 h LEU 174 Ca -0.54 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1h25 h LEU 174 Cb 1.81 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1h25 h LEU 174 CO -0.09 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.19 1h25 n LEU 175 N -4.61 0.00 -3.60 1.67 4.77 0.58 -4.90 117.00 110.91 1h25 n LEU 175 Ca 0.05 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.85 1h25 n LEU 175 Cb 0.04 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1h25 n LEU 175 CO 0.36 -0.01 -0.04 0.61 -1.33 0.00 0.00 177.39 176.98 1h25 n GLY 176 N 0.60 -1.11 3.78 -0.72 0.00 1.00 -3.36 105.19 105.38 1h25 n GLY 176 Ca 0.17 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 1h25 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h25 h LYS 178 N 1.49 0.08 -5.46 0.00 2.10 -1.92 -3.44 116.57 109.42 1h25 h LYS 178 Ca -0.50 -0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.55 1h25 h LYS 178 Cb 1.25 -0.02 -0.13 0.00 -0.90 0.00 0.00 32.23 32.43 1h25 h LYS 178 CO 0.58 0.05 -0.58 0.71 -2.00 0.00 0.00 179.45 178.21 1h25 s TYR 179 N -6.16 2.26 -0.11 0.07 2.02 -1.26 -4.49 117.35 109.67 1h25 s TYR 179 Ca -0.14 -0.81 -0.33 0.00 -0.37 0.00 0.00 57.07 55.42 1h25 s TYR 179 Cb 0.20 -1.62 0.14 0.00 -0.40 0.00 0.00 41.96 40.28 1h25 s TYR 179 CO 0.74 0.28 1.34 1.52 -1.57 0.00 0.00 175.55 177.86 1h25 s TYR 180 N -2.89 -0.04 0.00 2.71 -0.85 -1.26 -4.99 117.35 110.03 1h25 s TYR 180 Ca 0.30 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.84 1h25 s TYR 180 Cb 0.08 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.94 1h25 s TYR 180 CO 0.15 -0.14 0.00 -1.13 -1.52 0.00 0.00 175.55 172.90 1h25 n SER 181 N -0.35 1.25 -0.34 -0.18 3.41 -1.26 -4.88 113.62 111.26 1h25 n SER 181 Ca -0.05 0.00 0.23 0.00 -0.26 0.00 0.00 58.87 58.79 1h25 n SER 181 Cb 0.61 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 65.06 1h25 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1h25 h THR 182 N 0.00 0.47 -0.98 6.66 1.35 -1.97 -0.57 112.91 117.87 1h25 h THR 182 Ca 0.00 -0.14 0.19 0.00 -0.55 0.00 0.00 66.41 65.92 1h25 h THR 182 Cb 0.00 0.05 -0.18 0.00 -1.73 0.00 0.00 68.15 66.28 1h25 h THR 182 CO 0.00 0.07 -0.25 0.00 -0.25 0.00 0.00 175.52 175.09 1h25 h ALA 183 N 1.65 0.62 -0.55 6.62 0.00 -1.91 0.60 119.26 126.29 1h25 h ALA 183 Ca 0.63 0.38 0.13 0.00 0.00 0.00 0.00 54.91 56.05 1h25 h ALA 183 Cb 1.57 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 20.09 1h25 h ALA 183 CO -0.36 -0.39 0.38 -0.39 0.00 0.00 0.00 179.25 178.49 1h25 h VAL 184 N -0.00 0.80 0.01 0.00 -1.51 -1.50 0.31 116.25 114.37 1h25 h VAL 184 Ca 0.46 -0.06 -0.21 0.00 -1.23 0.00 0.00 66.70 65.67 1h25 h VAL 184 Cb 0.71 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.45 1h25 h VAL 184 CO -1.01 0.03 -0.97 0.44 -1.23 0.00 0.00 177.57 174.83 1h25 h ASP 185 N 0.18 0.02 -0.26 4.19 3.32 0.01 -2.97 116.42 120.91 1h25 h ASP 185 Ca 0.26 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1h25 h ASP 185 Cb 0.80 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 1h25 h ASP 185 CO -0.04 0.98 0.02 0.40 -1.72 0.00 0.00 179.24 178.88 1h25 h ILE 186 N 0.00 1.24 -0.77 0.35 1.08 0.56 -2.84 117.51 117.13 1h25 h ILE 186 Ca -0.01 -0.85 0.15 0.00 -0.39 0.00 0.00 64.86 63.75 1h25 h ILE 186 Cb 1.72 1.30 -0.10 0.00 -3.07 0.00 0.00 36.82 36.67 1h25 h ILE 186 CO 0.13 0.27 0.32 -0.25 -0.69 0.00 0.00 178.15 177.93 1h25 h TRP 187 N 0.23 0.55 0.94 1.37 2.91 -0.78 0.42 115.95 121.60 1h25 h TRP 187 Ca 0.07 0.04 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 1h25 h TRP 187 Cb 0.38 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 28.91 1h25 h TRP 187 CO 0.03 0.08 -0.45 0.77 -1.03 0.00 0.00 178.44 177.83 1h25 h SER 188 N 0.47 -1.07 -0.83 2.65 0.02 -1.42 0.12 113.55 113.48 1h25 h SER 188 Ca 0.43 0.04 0.18 0.00 -0.84 0.00 0.00 61.79 61.59 1h25 h SER 188 Cb 0.65 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 1h25 h SER 188 CO -0.40 -0.75 0.55 -0.07 -1.14 0.00 0.00 176.83 175.02 1h25 h LEU 189 N -1.30 0.39 0.11 5.07 3.38 -1.15 0.62 115.31 122.43 1h25 h LEU 189 Ca -0.13 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1h25 h LEU 189 Cb 0.97 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1h25 h LEU 189 CO 0.21 0.18 -0.39 1.23 0.09 0.00 0.00 178.44 179.76 1h25 h GLY 190 N 0.41 -0.78 0.65 0.83 0.00 0.10 0.94 103.07 105.22 1h25 h GLY 190 Ca 0.42 0.47 0.07 0.00 0.00 0.00 0.00 47.33 48.29 1h25 h GLY 190 CO -0.15 -0.26 0.47 0.00 0.00 0.00 0.00 176.54 176.61 1h25 h ILE 192 N 0.84 1.26 0.18 0.00 2.04 0.11 -1.63 117.51 120.32 1h25 h ILE 192 Ca 0.36 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1h25 h ILE 192 Cb 0.23 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1h25 h ILE 192 CO -0.20 0.38 -0.52 0.15 0.00 0.00 0.00 178.15 177.96 1h25 h PHE 193 N 0.88 -1.50 -0.87 1.37 3.57 0.13 0.19 116.94 120.70 1h25 h PHE 193 Ca 0.17 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.79 1h25 h PHE 193 Cb 0.48 0.63 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1h25 h PHE 193 CO 0.04 -0.60 0.57 0.00 -2.23 0.00 0.00 178.31 176.08 1h25 h ALA 194 N -0.62 1.63 -0.31 2.41 0.00 -1.30 -1.42 119.26 119.66 1h25 h ALA 194 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1h25 h ALA 194 Cb 0.77 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1h25 h ALA 194 CO -0.25 0.20 -0.15 1.49 0.00 0.00 0.00 179.25 180.54 1h25 h GLU 195 N 0.88 0.55 -0.33 0.00 4.81 -0.64 -1.48 114.58 118.38 1h25 h GLU 195 Ca 0.40 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1h25 h GLU 195 Cb 0.37 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1h25 h GLU 195 CO -0.16 0.69 -0.02 0.52 -0.73 0.00 0.00 179.01 179.30 1h25 h MET 196 N 0.50 0.51 0.03 1.92 2.86 0.15 1.21 114.93 122.12 1h25 h MET 196 Ca 0.09 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1h25 h MET 196 Cb 0.55 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1h25 h MET 196 CO 0.04 0.55 -0.01 0.28 1.06 0.00 0.00 176.91 178.83 1h25 h VAL 197 N 0.49 1.38 0.00 -2.22 2.07 -1.19 -3.35 116.25 113.43 1h25 h VAL 197 Ca 0.10 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.13 1h25 h VAL 197 Cb 0.35 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1h25 h VAL 197 CO 0.01 0.34 -1.02 0.71 0.02 0.00 0.00 177.57 177.63 1h25 h THR 198 N -0.63 0.69 -3.83 2.57 1.35 -1.22 -3.48 112.91 108.37 1h25 h THR 198 Ca -0.00 -2.13 -0.24 0.00 -0.55 0.00 0.00 66.41 63.49 1h25 h THR 198 Cb 0.58 2.22 0.08 0.00 -1.73 0.00 0.00 68.15 69.30 1h25 h THR 198 CO 0.01 0.39 -0.40 0.54 -0.25 0.00 0.00 175.52 175.81 1h25 n ARG 199 N -3.04 -4.67 -3.64 4.72 1.74 0.42 -5.02 116.66 107.17 1h25 n ARG 199 Ca -0.04 0.50 -0.07 0.00 -0.77 0.00 0.00 57.85 57.47 1h25 n ARG 199 Cb 0.80 -4.54 -0.07 0.00 -1.02 0.00 0.00 32.46 27.63 1h25 n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1h25 s ARG 200 N -5.75 0.33 0.48 5.56 1.70 -1.21 -5.00 118.95 115.05 1h25 s ARG 200 Ca 0.34 0.34 -0.20 0.00 -0.47 0.00 0.00 55.73 55.74 1h25 s ARG 200 Cb -0.15 0.16 -0.12 0.00 -0.57 0.00 0.00 34.95 34.27 1h25 s ARG 200 CO 0.42 -0.05 0.38 0.00 -1.08 0.00 0.00 175.30 174.97 1h25 n ALA 201 N 1.77 -1.79 0.05 7.88 0.00 -1.26 -4.59 120.51 122.56 1h25 n ALA 201 Ca -0.11 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1h25 n ALA 201 Cb 0.57 -1.70 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1h25 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1h25 h LEU 202 N 0.45 0.00 -5.65 0.00 5.85 -1.94 -3.41 115.31 110.60 1h25 h LEU 202 Ca -0.42 0.00 -0.40 0.00 0.84 0.00 0.00 57.88 57.90 1h25 h LEU 202 Cb 1.41 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 42.13 1h25 h LEU 202 CO 0.48 0.53 -0.95 0.49 -0.34 0.00 0.00 178.44 178.65 1h25 n PHE 203 N -2.91 -0.82 -1.66 1.25 3.72 -1.26 -4.97 117.46 110.80 1h25 n PHE 203 Ca -0.08 -3.24 -0.39 0.00 -0.05 0.00 0.00 57.45 53.70 1h25 n PHE 203 Cb 0.81 0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 39.57 1h25 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1h25 n PRO 204 N 0.29 1.92 -2.20 -1.08 -0.04 -1.26 -4.46 135.00 128.17 1h25 n PRO 204 Ca 0.18 -2.30 -0.34 0.00 -0.04 0.00 0.00 63.50 61.01 1h25 n PRO 204 Cb 0.68 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1h25 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1h25 s GLY 205 N 5.07 2.37 0.00 0.55 0.00 -1.26 -4.96 107.32 109.09 1h25 s GLY 205 Ca 0.59 0.59 0.25 0.00 0.00 0.00 0.00 44.72 46.14 1h25 s GLY 205 CO 0.09 0.92 1.37 1.22 0.00 0.00 0.00 173.10 176.70 1h25 n ASP 206 N -1.60 0.85 -3.64 1.64 9.92 -1.26 -4.87 116.55 117.59 1h25 n ASP 206 Ca 0.10 -0.65 0.03 0.00 -0.53 0.00 0.00 54.79 53.74 1h25 n ASP 206 Cb 0.52 0.33 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 1h25 n ASP 206 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1h25 s SER 207 N -2.80 -0.02 0.19 -2.24 1.04 -1.26 -4.98 113.70 103.62 1h25 s SER 207 Ca 0.16 -0.08 -0.20 0.00 0.48 0.00 0.00 55.95 56.30 1h25 s SER 207 Cb 0.18 0.08 0.13 0.00 0.10 0.00 0.00 66.02 66.51 1h25 s SER 207 CO 0.65 -0.16 1.59 -0.33 0.98 0.00 0.00 173.24 175.97 1h25 h GLU 208 N 2.00 -0.15 -0.38 4.02 5.08 -1.99 -0.32 114.58 122.83 1h25 h GLU 208 Ca -0.30 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1h25 h GLU 208 Cb 1.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1h25 h GLU 208 CO 0.29 -0.10 0.22 0.97 -1.00 0.00 0.00 179.01 179.39 1h25 h ILE 209 N -0.16 1.03 0.00 3.13 6.09 -1.97 -2.20 117.51 123.43 1h25 h ILE 209 Ca 0.24 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.58 1h25 h ILE 209 Cb 0.55 0.55 0.00 0.00 0.47 0.00 0.00 36.82 38.39 1h25 h ILE 209 CO -0.68 0.08 0.00 -0.67 -3.07 0.00 0.00 178.15 173.81 1h25 n ASP 210 N -4.89 0.54 -0.02 2.19 2.03 -0.67 -1.50 116.55 114.23 1h25 n ASP 210 Ca 0.01 0.56 -0.15 0.00 0.52 0.00 0.00 54.79 55.72 1h25 n ASP 210 Cb 0.07 -0.70 -0.11 0.00 -0.72 0.00 0.00 41.12 39.65 1h25 n ASP 210 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1h25 h GLN 211 N 0.00 0.19 -0.44 -0.67 5.75 -0.80 -1.77 115.11 117.37 1h25 h GLN 211 Ca 0.00 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1h25 h GLN 211 Cb 0.63 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1h25 h GLN 211 CO 0.00 0.93 0.27 -0.07 -2.65 0.00 0.00 178.83 177.31 1h25 h LEU 212 N -0.47 0.52 -0.36 -2.39 3.38 -0.95 -2.17 115.31 112.88 1h25 h LEU 212 Ca -0.03 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1h25 h LEU 212 Cb 1.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1h25 h LEU 212 CO 0.05 0.42 0.14 -0.26 0.09 0.00 0.00 178.44 178.88 1h25 h PHE 213 N 0.59 0.24 -0.04 1.13 0.04 -1.30 -0.19 116.94 117.41 1h25 h PHE 213 Ca 0.16 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1h25 h PHE 213 Cb -0.02 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1h25 h PHE 213 CO -0.03 0.11 0.05 0.00 -0.60 0.00 0.00 178.31 177.83 1h25 h ARG 214 N 0.29 0.00 0.10 1.51 3.08 -0.78 -1.48 114.38 117.10 1h25 h ARG 214 Ca 0.16 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.97 1h25 h ARG 214 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1h25 h ARG 214 CO -0.16 0.00 -1.25 0.82 -1.07 0.00 0.00 179.97 178.32 1h25 h ILE 215 N 0.00 1.12 -0.37 2.04 2.04 -0.71 -3.21 117.51 118.41 1h25 h ILE 215 Ca 0.02 -2.39 -0.01 0.00 1.00 0.00 0.00 64.86 63.47 1h25 h ILE 215 Cb 0.11 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1h25 h ILE 215 CO -0.00 0.66 0.17 -0.26 0.00 0.00 0.00 178.15 178.72 1h25 h PHE 216 N -0.42 0.50 0.00 1.37 0.04 -0.51 0.55 116.94 118.47 1h25 h PHE 216 Ca -0.27 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.41 1h25 h PHE 216 Cb 1.65 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.63 1h25 h PHE 216 CO 0.14 0.39 -0.38 0.07 -0.60 0.00 0.00 178.31 177.92 1h25 h ARG 217 N 0.52 0.00 0.03 1.51 0.11 -1.43 0.99 114.38 116.11 1h25 h ARG 217 Ca 0.13 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.86 1h25 h ARG 217 Cb 0.07 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.11 1h25 h ARG 217 CO -0.02 0.38 -1.99 2.41 0.10 0.00 0.00 179.97 180.86 1h25 n THR 218 N -3.42 1.59 0.97 0.08 -1.04 -0.61 -4.38 114.28 107.47 1h25 n THR 218 Ca 0.00 -0.38 0.11 0.00 -2.04 0.00 0.00 64.05 61.75 1h25 n THR 218 Cb 0.55 -1.81 0.06 0.00 -1.82 0.00 0.00 70.33 67.32 1h25 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1h25 n LEU 219 N -3.92 2.60 -0.33 -4.42 4.77 0.18 -5.06 117.00 110.82 1h25 n LEU 219 Ca -0.40 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1h25 n LEU 219 Cb 0.88 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1h25 n LEU 219 CO 0.23 0.45 -0.08 0.61 -1.33 0.00 0.00 177.39 177.27 1h25 n GLY 220 N 1.34 -3.62 3.56 -0.72 0.00 0.33 -4.87 105.19 101.21 1h25 n GLY 220 Ca 0.12 -0.87 -0.51 0.00 0.00 0.00 0.00 46.02 44.76 1h25 n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1h25 n THR 221 N -0.30 0.67 -2.45 2.61 -1.04 -0.55 -4.74 114.28 108.47 1h25 n THR 221 Ca 0.00 -0.17 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 1h25 n THR 221 Cb 0.00 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 1h25 n THR 221 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1h25 s PRO 222 N -0.19 3.95 0.31 -2.82 0.02 -1.26 -5.08 135.00 129.93 1h25 s PRO 222 Ca 0.77 1.56 0.03 0.00 0.02 0.00 0.00 61.00 63.38 1h25 s PRO 222 Cb -0.93 -2.39 -0.06 0.00 0.02 0.00 0.00 34.50 31.14 1h25 s PRO 222 CO 0.52 -0.34 0.07 0.16 -0.33 0.00 0.00 177.00 177.07 1h25 s ASP 223 N -1.60 2.15 0.16 2.53 1.47 -1.26 -4.85 116.67 115.28 1h25 s ASP 223 Ca 0.62 -1.38 0.14 0.00 1.18 0.00 0.00 52.55 53.10 1h25 s ASP 223 Cb -0.23 -0.03 0.67 0.00 -0.34 0.00 0.00 42.92 43.00 1h25 s ASP 223 CO 0.28 -0.64 1.42 -0.62 0.68 0.00 0.00 175.17 176.29 1h25 n GLU 224 N -0.65 0.08 0.06 2.11 -0.58 -1.26 -1.18 120.64 119.22 1h25 n GLU 224 Ca -0.02 0.50 -0.14 0.00 -0.42 0.00 0.00 57.16 57.07 1h25 n GLU 224 Cb 0.67 -1.72 -0.14 0.00 -0.57 0.00 0.00 31.44 29.67 1h25 n GLU 224 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1h25 h VAL 225 N 0.00 1.23 0.00 2.62 2.07 -2.00 -3.26 116.25 116.91 1h25 h VAL 225 Ca 0.00 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.62 1h25 h VAL 225 Cb 0.10 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1h25 h VAL 225 CO 0.00 0.81 -1.51 0.55 0.02 0.00 0.00 177.57 177.45 1h25 n VAL 226 N -3.40 0.15 -3.20 2.57 3.14 -0.82 -4.81 118.33 111.96 1h25 n VAL 226 Ca -0.13 -0.40 -0.05 0.00 -2.96 0.00 0.00 64.34 60.79 1h25 n VAL 226 Cb 1.03 0.09 -0.03 0.00 -1.06 0.00 0.00 33.84 33.87 1h25 n VAL 226 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 1h25 s TRP 227 N -3.37 -1.27 -0.40 1.45 -0.00 -0.33 -4.45 118.94 110.58 1h25 s TRP 227 Ca -0.02 -0.20 -0.28 0.00 -0.00 0.00 0.00 56.10 55.59 1h25 s TRP 227 Cb 0.13 0.09 -0.08 0.00 -0.00 0.00 0.00 33.47 33.62 1h25 s TRP 227 CO 0.86 -1.13 2.33 -2.30 -0.00 0.00 0.00 176.95 176.72 1h25 n PRO 228 N 4.14 1.33 0.00 5.86 -0.02 -1.23 -1.97 135.00 143.12 1h25 n PRO 228 Ca 0.12 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1h25 n PRO 228 Cb 0.53 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 1h25 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h25 n GLY 229 N 6.03 1.02 0.00 -1.23 0.00 -1.26 -5.07 105.19 104.67 1h25 n GLY 229 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1h25 n GLY 229 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h25 n VAL 230 N 0.00 0.00 0.09 1.61 0.31 -0.83 -0.79 118.33 118.72 1h25 n VAL 230 Ca 0.00 1.13 0.05 0.00 -0.01 0.00 0.00 64.34 65.51 1h25 n VAL 230 Cb 0.00 -1.61 0.29 0.00 -0.91 0.00 0.00 33.84 31.60 1h25 n VAL 230 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1h25 n THR 231 N -1.60 1.32 -0.40 2.52 -2.24 -1.26 -1.42 114.28 111.20 1h25 n THR 231 Ca 0.00 0.63 0.08 0.00 -2.27 0.00 0.00 64.05 62.49 1h25 n THR 231 Cb 0.00 -1.63 0.32 0.00 -2.10 0.00 0.00 70.33 66.92 1h25 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1h25 n SER 232 N -1.86 4.45 -4.85 3.42 7.64 0.03 -4.93 113.62 117.53 1h25 n SER 232 Ca -0.01 -2.50 -0.37 0.00 1.01 0.00 0.00 58.87 57.00 1h25 n SER 232 Cb 0.08 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1h25 n SER 232 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1h25 s MET 233 N -2.00 3.81 0.31 1.43 1.75 -0.50 -4.99 119.30 119.10 1h25 s MET 233 Ca 0.45 0.27 0.01 0.00 -1.25 0.00 0.00 55.69 55.17 1h25 s MET 233 Cb 0.31 -3.16 0.72 0.00 2.84 0.00 0.00 34.83 35.54 1h25 s MET 233 CO 0.19 0.67 1.57 -1.35 -0.65 0.00 0.00 175.02 175.45 1h25 h PRO 234 N 4.47 0.00 0.00 4.11 0.11 -1.81 -3.51 132.00 135.37 1h25 h PRO 234 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1h25 h PRO 234 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h25 h PRO 234 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1h25 n ASP 235 N -5.51 0.00 0.00 -2.05 8.00 -1.22 -5.11 116.55 110.67 1h25 n ASP 235 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1h25 n ASP 235 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 1h25 n ASP 235 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1h25 n VAL 251 N 0.00 0.00 -3.26 2.53 0.31 -1.26 -4.98 118.33 111.67 1h25 n VAL 251 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1h25 n VAL 251 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1h25 n VAL 251 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1h25 n VAL 252 N 0.00 0.28 0.13 2.52 0.31 -1.26 -4.94 118.33 115.38 1h25 n VAL 252 Ca 0.00 -4.40 -0.16 0.00 -0.01 0.00 0.00 64.34 59.77 1h25 n VAL 252 Cb 0.00 -1.98 -0.09 0.00 -0.91 0.00 0.00 33.84 30.87 1h25 n VAL 252 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1h25 h PRO 253 N 4.03 -0.72 -0.49 5.55 0.11 -2.00 -2.60 132.00 135.89 1h25 h PRO 253 Ca 0.11 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1h25 h PRO 253 Cb 0.81 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1h25 h PRO 253 CO 0.58 -0.48 0.00 -2.30 -0.21 0.00 0.00 178.00 175.59 1h25 n PRO 254 N -5.49 0.71 -3.83 1.05 -0.02 -1.26 -4.82 135.00 121.33 1h25 n PRO 254 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.07 1h25 n PRO 254 Cb 0.41 -1.24 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 1h25 n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h25 s LEU 255 N -0.31 4.34 0.00 2.45 2.96 -0.98 -5.09 118.68 122.05 1h25 s LEU 255 Ca 0.00 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1h25 s LEU 255 Cb 0.00 -2.91 0.05 0.00 0.50 0.00 0.00 46.19 43.83 1h25 s LEU 255 CO 0.00 0.18 0.29 -0.90 -1.32 0.00 0.00 176.35 174.60 1h25 n ASP 256 N 0.54 0.20 -0.09 3.68 5.75 -1.26 -4.92 116.55 120.45 1h25 n ASP 256 Ca -0.07 -1.21 -0.11 0.00 -0.01 0.00 0.00 54.79 53.39 1h25 n ASP 256 Cb 0.52 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.36 1h25 n ASP 256 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1h25 h GLU 257 N 0.00 0.48 -0.57 0.11 4.81 -2.00 -2.98 114.58 114.43 1h25 h GLU 257 Ca -0.10 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1h25 h GLU 257 Cb 0.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1h25 h GLU 257 CO 0.08 0.64 0.18 -0.44 -0.73 0.00 0.00 179.01 178.74 1h25 h ASP 258 N 0.26 0.83 -0.30 1.04 3.32 -1.96 -3.03 116.42 116.57 1h25 h ASP 258 Ca 0.08 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 56.99 1h25 h ASP 258 Cb 0.42 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.67 1h25 h ASP 258 CO 0.01 0.81 -0.27 1.23 -1.72 0.00 0.00 179.24 179.31 1h25 h GLY 259 N 0.80 -0.18 0.39 2.75 0.00 -1.92 -1.10 103.07 103.82 1h25 h GLY 259 Ca 0.18 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.94 1h25 h GLY 259 CO -0.01 -0.21 0.18 3.21 0.00 0.00 0.00 176.54 179.72 1h25 h ARG 260 N -0.25 0.33 -0.02 4.80 3.08 -1.46 0.23 114.38 121.09 1h25 h ARG 260 Ca 0.15 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1h25 h ARG 260 Cb 0.49 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1h25 h ARG 260 CO -0.45 0.22 -0.40 1.03 -1.07 0.00 0.00 179.97 179.31 1h25 h SER 261 N 0.34 -1.20 -0.20 7.04 0.87 -1.11 0.25 113.55 119.53 1h25 h SER 261 Ca 0.28 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1h25 h SER 261 Cb 0.35 0.48 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 1h25 h SER 261 CO -0.31 -0.44 0.04 0.25 -0.53 0.00 0.00 176.83 175.84 1h25 h LEU 262 N -0.54 0.32 -0.03 2.23 5.85 -0.93 -0.86 115.31 121.36 1h25 h LEU 262 Ca 0.06 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1h25 h LEU 262 Cb 0.63 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1h25 h LEU 262 CO -0.32 0.49 -0.27 0.25 -0.34 0.00 0.00 178.44 178.25 1h25 h LEU 263 N 0.14 -0.81 -1.40 2.25 5.85 -0.35 0.29 115.31 121.27 1h25 h LEU 263 Ca 0.06 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1h25 h LEU 263 Cb 0.30 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1h25 h LEU 263 CO 0.00 -0.33 0.26 0.77 -0.34 0.00 0.00 178.44 178.80 1h25 h SER 264 N -0.40 0.59 -0.28 1.25 4.64 -0.89 0.13 113.55 118.60 1h25 h SER 264 Ca 0.07 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1h25 h SER 264 Cb 0.50 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1h25 h SER 264 CO -0.26 0.48 -0.37 1.56 -0.87 0.00 0.00 176.83 177.38 1h25 h GLN 265 N 0.68 0.82 0.00 4.77 4.20 -0.60 -2.45 115.11 122.52 1h25 h GLN 265 Ca 0.17 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 1h25 h GLN 265 Cb 0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1h25 h GLN 265 CO -0.03 1.05 -0.35 0.52 -0.67 0.00 0.00 178.83 179.34 1h25 h MET 266 N 0.67 0.00 -1.09 1.46 2.86 0.12 -2.95 114.93 116.00 1h25 h MET 266 Ca 0.06 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.02 1h25 h MET 266 Cb 0.93 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.29 1h25 h MET 266 CO 0.09 0.35 0.79 1.28 1.06 0.00 0.00 176.91 180.48 1h25 n LEU 267 N -4.10 7.53 -4.75 1.22 4.77 0.37 -4.14 117.00 117.89 1h25 n LEU 267 Ca -0.02 -4.38 -0.40 0.00 -0.03 0.00 0.00 56.01 51.18 1h25 n LEU 267 Cb 0.39 -0.95 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1h25 n LEU 267 CO 0.39 1.54 0.55 -2.28 -1.33 0.00 0.00 177.39 176.26 1h25 s HIS 268 N -3.84 3.85 0.19 -1.77 2.46 -1.12 -4.93 115.29 110.12 1h25 s HIS 268 Ca 0.63 1.68 -0.12 0.00 0.47 0.00 0.00 55.06 57.72 1h25 s HIS 268 Cb 0.50 -2.89 0.12 0.00 -0.13 0.00 0.00 32.58 30.17 1h25 s HIS 268 CO -0.05 0.36 1.84 1.88 -2.47 0.00 0.00 174.74 176.29 1h25 h TYR 269 N 5.00 0.88 -3.45 3.88 0.05 -1.90 -3.39 116.97 118.04 1h25 h TYR 269 Ca -0.45 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 57.75 1h25 h TYR 269 Cb 1.21 -0.29 -0.08 0.00 1.01 0.00 0.00 36.73 38.58 1h25 h TYR 269 CO 0.64 0.59 0.73 0.34 -1.05 0.00 0.00 178.16 179.41 1h25 s ASP 270 N -5.89 6.76 0.44 3.88 -1.08 -1.26 -4.79 116.67 114.73 1h25 s ASP 270 Ca -0.13 0.74 0.30 0.00 -0.52 0.00 0.00 52.55 52.94 1h25 s ASP 270 Cb 0.14 -2.50 1.51 0.00 -1.46 0.00 0.00 42.92 40.60 1h25 s ASP 270 CO 0.78 -0.91 1.91 -0.65 0.52 0.00 0.00 175.17 176.82 1h25 h PRO 271 N 8.43 0.00 0.04 4.34 0.11 -1.94 0.47 132.00 143.45 1h25 h PRO 271 Ca -0.22 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.75 1h25 h PRO 271 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1h25 h PRO 271 CO 1.02 0.00 -0.72 -0.91 -0.21 0.00 0.00 178.00 177.18 1h25 h ASN 272 N 0.00 0.14 0.54 -2.05 2.35 -1.93 -3.31 115.58 111.31 1h25 h ASN 272 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1h25 h ASN 272 Cb 0.15 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1h25 h ASN 272 CO 0.00 1.30 0.00 0.29 -1.65 0.00 0.00 177.43 177.37 1h25 n LYS 273 N -4.36 0.13 -2.41 0.81 4.76 -0.62 -4.69 118.16 111.76 1h25 n LYS 273 Ca -0.19 0.41 -0.40 0.00 -2.87 0.00 0.00 58.31 55.25 1h25 n LYS 273 Cb 0.66 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 1h25 n LYS 273 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1h25 s ARG 274 N -3.25 4.59 0.62 1.97 3.52 0.16 -4.94 118.95 121.62 1h25 s ARG 274 Ca 0.04 1.87 -0.18 0.00 -0.13 0.00 0.00 55.73 57.33 1h25 s ARG 274 Cb 0.08 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.28 1h25 s ARG 274 CO 0.31 0.13 1.19 -1.50 -0.81 0.00 0.00 175.30 174.62 1h25 s ILE 275 N -1.07 2.69 0.35 4.11 2.07 -1.17 -4.97 121.20 123.21 1h25 s ILE 275 Ca 0.46 0.40 -0.00 0.00 -1.41 0.00 0.00 60.65 60.09 1h25 s ILE 275 Cb -0.33 -3.08 -0.03 0.00 0.13 0.00 0.00 42.46 39.14 1h25 s ILE 275 CO 0.43 -0.12 0.56 -0.94 -1.91 0.00 0.00 174.94 172.95 1h25 s SER 276 N -1.81 6.31 0.25 4.50 1.04 -1.26 -4.91 113.70 117.82 1h25 s SER 276 Ca 0.75 0.50 -0.03 0.00 0.48 0.00 0.00 55.95 57.66 1h25 s SER 276 Cb -0.28 -2.05 0.47 0.00 0.10 0.00 0.00 66.02 64.25 1h25 s SER 276 CO 0.36 -0.30 1.77 0.00 0.98 0.00 0.00 173.24 176.05 1h25 h ALA 277 N 0.84 1.18 0.47 5.32 0.00 -1.94 -1.40 119.26 123.73 1h25 h ALA 277 Ca -0.49 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1h25 h ALA 277 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1h25 h ALA 277 CO 0.62 -0.07 -0.41 0.87 0.00 0.00 0.00 179.25 180.26 1h25 h LYS 278 N 0.62 -0.85 -0.54 0.00 1.57 -1.94 -2.33 116.57 113.10 1h25 h LYS 278 Ca 0.43 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.36 1h25 h LYS 278 Cb 0.56 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 32.96 1h25 h LYS 278 CO -0.34 -0.57 -0.36 0.00 -0.57 0.00 0.00 179.45 177.62 1h25 h ALA 279 N -0.56 -0.15 -1.33 3.86 0.00 -1.84 -0.47 119.26 118.78 1h25 h ALA 279 Ca -0.05 0.14 0.39 0.00 0.00 0.00 0.00 54.91 55.39 1h25 h ALA 279 Cb 0.76 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.28 1h25 h ALA 279 CO -0.03 -0.73 0.90 0.00 0.00 0.00 0.00 179.25 179.40 1h25 h ALA 280 N 0.84 2.92 0.43 0.00 0.00 -0.72 -1.30 119.26 121.43 1h25 h ALA 280 Ca 0.21 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1h25 h ALA 280 Cb 0.55 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1h25 h ALA 280 CO -0.65 -1.40 -0.21 -0.07 0.00 0.00 0.00 179.25 176.92 1h25 h LEU 281 N 0.12 -0.49 -1.71 0.00 3.38 -0.84 -2.91 115.31 112.86 1h25 h LEU 281 Ca 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1h25 h LEU 281 Cb 2.44 0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.32 1h25 h LEU 281 CO -0.21 -0.17 0.29 0.00 0.09 0.00 0.00 178.44 178.44 1h25 h ALA 282 N -0.37 1.26 -2.18 1.53 0.00 -1.28 -3.42 119.26 114.80 1h25 h ALA 282 Ca -0.06 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 1h25 h ALA 282 Cb 0.55 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.40 1h25 h ALA 282 CO 0.10 -0.26 0.71 1.58 0.00 0.00 0.00 179.25 181.38 1h25 n HIS 283 N -2.64 2.12 0.00 0.00 -0.00 -1.10 -4.77 115.22 108.84 1h25 n HIS 283 Ca -0.02 0.35 0.00 0.00 -0.00 0.00 0.00 57.72 58.06 1h25 n HIS 283 Cb 0.33 -2.49 0.00 0.00 -0.00 0.00 0.00 29.99 27.82 1h25 n HIS 283 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1h25 n PRO 284 N 3.08 0.00 0.20 1.57 -0.02 -1.26 -0.27 135.00 138.30 1h25 n PRO 284 Ca 0.16 0.27 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 1h25 n PRO 284 Cb 0.27 -1.66 0.40 0.00 -0.02 0.00 0.00 33.50 32.49 1h25 n PRO 284 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1h25 h PHE 285 N 0.00 0.00 0.00 6.00 3.57 -1.87 -3.19 116.94 121.45 1h25 h PHE 285 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h25 h PHE 285 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1h25 h PHE 285 CO 0.00 0.32 -1.03 1.19 -2.23 0.00 0.00 178.31 176.56 1h25 n PHE 286 N -3.57 0.32 -0.50 0.41 3.72 0.63 -4.44 117.46 114.03 1h25 n PHE 286 Ca -0.00 0.09 0.39 0.00 -0.05 0.00 0.00 57.45 57.88 1h25 n PHE 286 Cb 0.46 -0.49 0.60 0.00 -0.94 0.00 0.00 39.48 39.11 1h25 n PHE 286 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h25 n GLN 287 N -2.03 0.00 -0.08 -1.08 10.64 -1.20 0.12 117.38 123.74 1h25 n GLN 287 Ca 0.02 0.82 0.09 0.00 -1.83 0.00 0.00 57.00 56.10 1h25 n GLN 287 Cb 0.45 -1.92 0.13 0.00 -0.86 0.00 0.00 30.24 28.03 1h25 n GLN 287 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1h25 n ASP 288 N -3.39 2.24 -4.71 2.61 5.68 -1.26 -5.08 116.55 112.64 1h25 n ASP 288 Ca 0.32 -2.99 -0.39 0.00 -0.50 0.00 0.00 54.79 51.24 1h25 n ASP 288 Cb 1.51 -0.40 0.04 0.00 -1.14 0.00 0.00 41.12 41.14 1h25 n ASP 288 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1h25 n VAL 289 N -1.33 3.80 -2.72 2.12 3.14 0.32 -5.02 118.33 118.63 1h25 n VAL 289 Ca 0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1h25 n VAL 289 Cb 0.62 -1.52 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 1h25 n VAL 289 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1h25 n THR 290 N -1.19 0.00 -3.04 1.55 -2.24 -1.26 -5.07 114.28 103.02 1h25 n THR 290 Ca 0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.73 1h25 n THR 290 Cb 0.45 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1h25 n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1h25 n LYS 291 N 0.00 0.88 0.00 -0.78 3.00 -1.26 -4.51 118.16 115.49 1h25 n LYS 291 Ca 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.47 1h25 n LYS 291 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1h25 n LYS 291 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1h25 n PRO 292 N 0.80 2.46 0.00 1.64 -0.04 -1.26 -4.90 135.00 133.69 1h25 n PRO 292 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1h25 n PRO 292 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 1h25 n PRO 292 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74