#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 n PRO 2 N 0.00 0.32 0.22 2.12 -0.02 -1.26 -4.26 135.00 132.13 3m85 n PRO 2 Ca 0.00 -0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.33 3m85 n PRO 2 Cb 0.00 -1.49 0.49 0.00 -0.02 0.00 0.00 33.50 32.48 3m85 n PRO 2 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3m85 h GLU 3 N 0.59 0.00 0.00 -0.52 9.09 -2.06 -2.79 114.58 118.89 3m85 h GLU 3 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m85 h GLU 3 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3m85 h GLU 3 CO 0.00 0.24 0.00 -3.47 0.05 0.00 0.00 179.01 175.83 3m85 n ASP 4 N -3.51 0.00 -0.05 3.06 -0.08 -1.26 -2.66 116.55 112.06 3m85 n ASP 4 Ca -0.01 0.41 -0.20 0.00 -1.51 0.00 0.00 54.79 53.48 3m85 n ASP 4 Cb 0.40 -0.44 -0.13 0.00 2.34 0.00 0.00 41.12 43.29 3m85 n ASP 4 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 3m85 h ILE 5 N 0.00 1.08 -0.50 5.18 5.03 -1.86 -3.22 117.51 123.21 3m85 h ILE 5 Ca 0.00 -2.30 -0.01 0.00 -0.12 0.00 0.00 64.86 62.43 3m85 h ILE 5 Cb 0.09 2.62 -0.02 0.00 -3.03 0.00 0.00 36.82 36.47 3m85 h ILE 5 CO 0.00 0.55 0.29 0.25 -0.68 0.00 0.00 178.15 178.56 3m85 h LEU 6 N -0.65 0.62 -1.46 1.44 7.12 -1.67 -2.45 115.31 118.25 3m85 h LEU 6 Ca -0.28 -0.08 0.06 0.00 0.13 0.00 0.00 57.88 57.71 3m85 h LEU 6 Cb 1.49 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 41.42 3m85 h LEU 6 CO -0.05 0.52 0.43 0.58 -0.13 0.00 0.00 178.44 179.79 3m85 h VAL 7 N 0.67 1.01 -0.61 1.05 2.07 -1.70 -2.71 116.25 116.03 3m85 h VAL 7 Ca 0.18 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3m85 h VAL 7 Cb 0.02 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3m85 h VAL 7 CO -0.03 0.12 0.03 0.44 0.02 0.00 0.00 177.57 178.15 3m85 h ASP 8 N 0.65 1.03 -0.17 0.57 3.45 -1.44 0.27 116.42 120.79 3m85 h ASP 8 Ca 0.28 -0.29 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 3m85 h ASP 8 Cb 0.27 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3m85 h ASP 8 CO -0.09 1.07 0.01 0.40 -1.57 0.00 0.00 179.24 179.07 3m85 h ILE 9 N 0.96 1.24 -0.89 0.35 1.08 -1.47 -2.06 117.51 116.72 3m85 h ILE 9 Ca 0.18 -0.79 0.16 0.00 -0.39 0.00 0.00 64.86 64.02 3m85 h ILE 9 Cb 0.53 1.44 -0.10 0.00 -3.07 0.00 0.00 36.82 35.62 3m85 h ILE 9 CO 0.03 0.24 0.48 0.50 -0.69 0.00 0.00 178.15 178.70 3m85 h LYS 10 N 0.05 0.62 -0.36 2.37 1.63 -1.25 -0.45 116.57 119.18 3m85 h LYS 10 Ca 0.05 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 3m85 h LYS 10 Cb 0.35 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 3m85 h LYS 10 CO 0.01 0.41 0.02 -0.09 -3.45 0.00 0.00 179.45 176.35 3m85 h ARG 11 N 0.64 0.12 -0.59 1.90 2.43 -0.28 -0.79 114.38 117.82 3m85 h ARG 11 Ca 0.50 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.78 3m85 h ARG 11 Cb 0.75 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 3m85 h ARG 11 CO -0.38 0.08 -0.16 -0.44 -1.51 0.00 0.00 179.97 177.56 3m85 h ASP 12 N 0.13 -0.58 0.11 -3.80 3.45 -0.47 -1.37 116.42 113.89 3m85 h ASP 12 Ca 0.17 0.18 0.01 0.00 0.43 0.00 0.00 57.03 57.83 3m85 h ASP 12 Cb 0.23 0.38 -0.03 0.00 -0.56 0.00 0.00 39.33 39.35 3m85 h ASP 12 CO -0.27 -0.20 -0.20 0.22 -1.57 0.00 0.00 179.24 177.21 3m85 h TYR 13 N -0.01 -0.53 -0.56 4.55 3.20 -0.72 0.14 116.97 123.03 3m85 h TYR 13 Ca 0.28 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3m85 h TYR 13 Cb 0.44 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 3m85 h TYR 13 CO -0.49 -0.30 0.32 0.28 -1.64 0.00 0.00 178.16 176.33 3m85 h VAL 14 N -0.39 1.02 0.38 1.81 2.07 -0.49 -1.79 116.25 118.87 3m85 h VAL 14 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3m85 h VAL 14 Cb 0.41 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3m85 h VAL 14 CO -0.11 0.11 -0.18 -0.07 0.02 0.00 0.00 177.57 177.34 3m85 h LEU 15 N 0.63 -0.43 -1.21 2.57 3.38 -1.06 -2.12 115.31 117.08 3m85 h LEU 15 Ca 0.23 -0.07 0.43 0.00 0.09 0.00 0.00 57.88 58.56 3m85 h LEU 15 Cb 0.07 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 3m85 h LEU 15 CO -0.12 -0.18 0.72 -1.28 0.09 0.00 0.00 178.44 177.66 3m85 h SER 16 N -0.67 0.29 0.94 -0.43 0.87 -0.24 0.85 113.55 115.17 3m85 h SER 16 Ca -0.05 0.20 -0.20 0.00 -1.23 0.00 0.00 61.79 60.50 3m85 h SER 16 Cb 0.48 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3m85 h SER 16 CO 0.08 -0.30 -0.95 0.11 -0.53 0.00 0.00 176.83 175.25 3m85 h LYS 17 N 0.05 0.00 0.00 2.24 1.79 -0.93 -3.17 116.57 116.55 3m85 h LYS 17 Ca 0.84 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 59.20 3m85 h LYS 17 Cb 2.44 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 33.07 3m85 h LYS 17 CO -0.59 0.95 -0.52 1.25 -1.08 0.00 0.00 179.45 179.46 3m85 h LEU 18 N 0.00 0.00 -2.22 2.94 6.46 0.12 0.63 115.31 123.23 3m85 h LEU 18 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3m85 h LEU 18 Cb 1.67 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 3m85 h LEU 18 CO 0.12 0.52 -0.00 -0.09 -0.62 0.00 0.00 178.44 178.37 3m85 h ARG 19 N 0.00 0.00 -0.46 1.25 9.65 -0.41 -1.83 114.38 122.58 3m85 h ARG 19 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3m85 h ARG 19 Cb 0.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 3m85 h ARG 19 CO 0.07 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 182.59 3m85 n ASP 20 N -4.21 4.88 -3.27 -3.80 8.00 -0.61 -4.96 116.55 112.58 3m85 n ASP 20 Ca -0.03 -2.89 -0.22 0.00 0.71 0.00 0.00 54.79 52.36 3m85 n ASP 20 Cb 0.09 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.58 3m85 n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3m85 n ASN 21 N 0.25 -3.81 -4.02 -2.24 4.13 -0.69 -4.94 115.26 103.94 3m85 n ASN 21 Ca 0.25 -0.33 -0.08 0.00 1.68 0.00 0.00 54.58 56.10 3m85 n ASN 21 Cb 1.03 -3.16 -0.09 0.00 -1.54 0.00 0.00 39.78 36.02 3m85 n ASN 21 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3m85 s GLU 22 N -5.91 0.70 0.57 3.52 -1.05 0.11 -4.99 118.70 111.65 3m85 s GLU 22 Ca 0.36 -1.15 0.07 0.00 -0.15 0.00 0.00 54.97 54.10 3m85 s GLU 22 Cb -0.19 0.25 0.07 0.00 -0.44 0.00 0.00 34.13 33.83 3m85 s GLU 22 CO 0.44 -0.17 0.61 0.54 0.95 0.00 0.00 175.26 177.64 3m85 n ARG 23 N 0.04 0.64 0.19 -4.83 1.74 -1.26 -3.04 116.66 110.14 3m85 n ARG 23 Ca -0.14 -3.28 0.07 0.00 -0.77 0.00 0.00 57.85 53.73 3m85 n ARG 23 Cb 0.62 0.06 0.27 0.00 -1.02 0.00 0.00 32.46 32.38 3m85 n ARG 23 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3m85 h ILE 24 N 0.38 0.63 -0.16 0.55 3.07 -1.93 -3.22 117.51 116.84 3m85 h ILE 24 Ca -0.31 -1.52 0.00 0.00 1.55 0.00 0.00 64.86 64.58 3m85 h ILE 24 Cb 1.26 2.03 0.00 0.00 -0.27 0.00 0.00 36.82 39.84 3m85 h ILE 24 CO 0.46 0.31 0.00 -0.90 -1.05 0.00 0.00 178.15 176.97 3m85 n ASP 25 N -3.31 2.69 0.00 2.16 3.85 -1.26 -4.96 116.55 115.72 3m85 n ASP 25 Ca 0.01 -2.37 0.00 0.00 -0.71 0.00 0.00 54.79 51.72 3m85 n ASP 25 Cb 0.55 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 3m85 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3m85 n GLY 26 N -0.34 1.09 3.25 6.12 0.00 -1.22 -4.95 105.19 109.14 3m85 n GLY 26 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3m85 n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3m85 n ARG 27 N -2.00 -0.13 -3.59 1.61 0.63 -1.26 -4.86 116.66 107.06 3m85 n ARG 27 Ca 0.00 -0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 56.65 3m85 n ARG 27 Cb 0.00 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.39 3m85 n ARG 27 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3m85 s GLY 28 N -1.55 1.69 0.00 5.14 0.00 -1.26 -4.45 107.32 106.89 3m85 s GLY 28 Ca 0.51 -0.81 0.15 0.00 0.00 0.00 0.00 44.72 44.56 3m85 s GLY 28 CO 0.73 -0.75 1.43 0.69 0.00 0.00 0.00 173.10 175.20 3m85 n PHE 29 N -0.95 0.00 -1.16 1.90 3.01 -1.26 -2.15 117.46 116.85 3m85 n PHE 29 Ca -0.04 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.51 3m85 n PHE 29 Cb 0.54 -0.39 0.16 0.00 -0.01 0.00 0.00 39.48 39.78 3m85 n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3m85 n ASP 30 N -1.39 2.36 -4.09 4.37 5.75 -1.26 -2.00 116.55 120.29 3m85 n ASP 30 Ca 0.05 -3.23 -0.32 0.00 -0.01 0.00 0.00 54.79 51.28 3m85 n ASP 30 Cb 0.14 -0.46 -0.15 0.00 -1.03 0.00 0.00 41.12 39.62 3m85 n ASP 30 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3m85 s GLU 31 N -2.94 2.45 0.68 0.11 2.12 -0.92 -4.89 118.70 115.32 3m85 s GLU 31 Ca 0.34 -1.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.31 3m85 s GLU 31 Cb 0.30 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.90 3m85 s GLU 31 CO 0.02 -0.47 1.16 -0.06 -0.54 0.00 0.00 175.26 175.36 3m85 s PHE 32 N 1.15 2.37 0.21 5.30 0.40 -1.26 -4.73 117.98 121.42 3m85 s PHE 32 Ca -0.05 1.57 -0.04 0.00 -0.60 0.00 0.00 56.93 57.82 3m85 s PHE 32 Cb -0.18 -3.32 0.05 0.00 0.51 0.00 0.00 43.02 40.08 3m85 s PHE 32 CO -0.07 -2.10 0.28 0.54 0.70 0.00 0.00 175.22 174.57 3m85 n ARG 33 N -2.46 -0.39 -1.66 0.44 3.00 -1.26 -4.92 116.66 109.41 3m85 n ARG 33 Ca 0.12 -0.43 -0.49 0.00 -0.01 0.00 0.00 57.85 57.04 3m85 n ARG 33 Cb 0.51 -0.30 -0.05 0.00 0.00 0.00 0.00 32.46 32.63 3m85 n ARG 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3m85 n LYS 34 N -1.66 1.91 -3.91 5.56 0.00 -1.26 -4.70 118.16 114.10 3m85 n LYS 34 Ca 0.03 0.69 -0.21 0.00 0.00 0.00 0.00 58.31 58.83 3m85 n LYS 34 Cb 0.12 -2.45 -0.03 0.00 0.00 0.00 0.00 35.03 32.67 3m85 n LYS 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3m85 s VAL 35 N 1.94 4.60 -0.29 3.15 1.01 -1.26 -1.30 120.40 128.24 3m85 s VAL 35 Ca 0.85 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 3m85 s VAL 35 Cb -0.76 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.20 3m85 s VAL 35 CO 0.45 -0.29 0.89 -0.70 0.00 0.00 0.00 175.10 175.46 3m85 s GLU 36 N -3.97 0.42 -0.25 2.72 2.12 -1.00 -4.98 118.70 113.75 3m85 s GLU 36 Ca 0.36 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.58 3m85 s GLU 36 Cb -0.08 0.33 0.04 0.00 0.26 0.00 0.00 34.13 34.68 3m85 s GLU 36 CO 0.28 -0.11 -0.09 0.42 -0.54 0.00 0.00 175.26 175.21 3m85 s ILE 37 N 2.00 2.45 -0.47 -3.70 1.01 -1.26 -2.69 121.20 118.54 3m85 s ILE 37 Ca -0.06 -1.34 -0.05 0.00 0.00 0.00 0.00 60.65 59.19 3m85 s ILE 37 Cb -0.06 -2.33 0.12 0.00 0.01 0.00 0.00 42.46 40.21 3m85 s ILE 37 CO -0.17 0.10 0.30 -0.63 0.00 0.00 0.00 174.94 174.54 3m85 s ILE 38 N 1.21 3.74 1.36 2.92 1.09 -0.73 -4.98 121.20 125.81 3m85 s ILE 38 Ca -0.04 -2.10 -0.21 0.00 -1.10 0.00 0.00 60.65 57.20 3m85 s ILE 38 Cb -0.18 -3.50 0.33 0.00 -1.06 0.00 0.00 42.46 38.05 3m85 s ILE 38 CO -0.05 -0.76 0.78 -2.65 -0.10 0.00 0.00 174.94 172.16 3m85 n PRO 39 N 4.54 -4.06 -4.35 2.79 -0.02 -1.26 -1.89 135.00 130.74 3m85 n PRO 39 Ca -0.02 -1.20 -0.40 0.00 -2.02 0.00 0.00 63.50 59.86 3m85 n PRO 39 Cb 0.41 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 3m85 n PRO 39 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3m85 n ASN 40 N -4.85 -1.72 0.20 2.55 3.02 -1.21 -4.77 115.26 108.49 3m85 n ASN 40 Ca 0.10 -1.15 0.09 0.00 -0.03 0.00 0.00 54.58 53.59 3m85 n ASN 40 Cb 0.55 -1.51 0.29 0.00 -0.61 0.00 0.00 39.78 38.50 3m85 n ASN 40 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3m85 h VAL 41 N -0.81 0.47 -3.38 2.41 2.07 -1.82 -3.40 116.25 111.79 3m85 h VAL 41 Ca -0.56 -1.36 -0.60 0.00 0.82 0.00 0.00 66.70 65.00 3m85 h VAL 41 Cb 1.31 1.99 -0.40 0.00 -1.52 0.00 0.00 31.29 32.67 3m85 h VAL 41 CO 0.84 0.23 -0.75 -0.63 0.02 0.00 0.00 177.57 177.27 3m85 s ILE 42 N -3.35 1.30 0.06 4.57 1.01 -1.26 -5.04 121.20 118.49 3m85 s ILE 42 Ca 0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 60.65 59.14 3m85 s ILE 42 Cb 0.08 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.68 3m85 s ILE 42 CO 0.67 -0.52 0.06 1.21 0.00 0.00 0.00 174.94 176.35 3m85 n GLU 43 N 4.69 -0.97 -2.47 2.79 2.13 -1.26 -3.90 120.64 121.65 3m85 n GLU 43 Ca -0.03 -0.09 -0.15 0.00 0.66 0.00 0.00 57.16 57.55 3m85 n GLU 43 Cb 0.43 -0.08 -0.01 0.00 0.27 0.00 0.00 31.44 32.05 3m85 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3m85 n LYS 44 N -1.60 -2.16 -3.15 5.31 5.02 -1.26 -4.87 118.16 115.45 3m85 n LYS 44 Ca 0.01 0.72 0.04 0.00 -2.02 0.00 0.00 58.31 57.06 3m85 n LYS 44 Cb 0.03 -5.35 -0.00 0.00 -0.02 0.00 0.00 35.03 29.68 3m85 n LYS 44 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m85 s ALA 45 N -2.76 -2.52 0.65 7.82 0.00 -1.25 -5.02 121.76 118.68 3m85 s ALA 45 Ca 0.02 1.37 0.12 0.00 0.00 0.00 0.00 51.96 53.46 3m85 s ALA 45 Cb -0.01 -2.43 0.54 0.00 0.00 0.00 0.00 23.12 21.22 3m85 s ALA 45 CO 0.02 -1.66 1.27 1.05 0.00 0.00 0.00 175.76 176.44 3m85 h GLU 46 N 7.95 0.00 -2.93 0.00 9.09 -1.81 -3.38 114.58 123.50 3m85 h GLU 46 Ca -0.10 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.23 3m85 h GLU 46 Cb 1.18 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 28.10 3m85 h GLU 46 CO 0.16 0.00 -0.13 0.20 0.05 0.00 0.00 179.01 179.29 3m85 s GLY 47 N -3.26 -0.27 0.05 1.06 0.00 -0.49 0.19 107.32 104.62 3m85 s GLY 47 Ca -0.01 0.41 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 3m85 s GLY 47 CO 0.17 0.15 0.92 -1.35 0.00 0.00 0.00 173.10 172.99 3m85 s SER 48 N -1.73 -0.29 0.00 1.64 1.04 -1.26 -0.82 113.70 112.29 3m85 s SER 48 Ca -0.08 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3m85 s SER 48 Cb -0.02 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3m85 s SER 48 CO 0.01 -0.72 0.00 0.00 0.98 0.00 0.00 173.24 173.51 3m85 n ALA 49 N -0.33 0.00 -3.34 5.32 0.00 -0.66 -3.29 120.51 118.20 3m85 n ALA 49 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 3m85 n ALA 49 Cb 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 3m85 n ALA 49 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m85 s LEU 50 N 0.00 1.64 -0.17 0.00 2.96 -0.79 -1.37 118.68 120.95 3m85 s LEU 50 Ca 0.00 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3m85 s LEU 50 Cb 0.00 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 46.02 3m85 s LEU 50 CO 0.00 0.04 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.22 3m85 s VAL 51 N 0.54 1.75 0.07 1.68 1.01 -0.15 -1.77 120.40 123.54 3m85 s VAL 51 Ca -0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3m85 s VAL 51 Cb -0.13 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 3m85 s VAL 51 CO 0.02 0.45 0.55 -0.54 0.00 0.00 0.00 175.10 175.59 3m85 s LYS 52 N 1.41 4.17 -0.34 2.72 1.02 -1.09 -1.57 119.74 126.05 3m85 s LYS 52 Ca 0.04 0.70 -0.00 0.00 0.02 0.00 0.00 55.97 56.73 3m85 s LYS 52 Cb -0.13 -3.22 0.14 0.00 -0.52 0.00 0.00 37.83 34.09 3m85 s LYS 52 CO -0.11 0.64 0.23 -1.17 -0.92 0.00 0.00 175.35 174.02 3m85 s LEU 53 N -1.14 0.59 0.00 3.17 2.96 0.28 -2.39 118.68 122.15 3m85 s LEU 53 Ca 0.29 -1.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.41 3m85 s LEU 53 Cb -0.19 -0.13 0.00 0.00 0.50 0.00 0.00 46.19 46.37 3m85 s LEU 53 CO 0.19 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 3m85 n GLY 54 N 4.40 2.22 0.52 7.98 0.00 -0.42 -2.25 105.19 117.65 3m85 n GLY 54 Ca 0.07 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.84 3m85 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m85 n ASP 55 N 4.97 1.64 -4.79 1.61 10.43 -1.26 -4.86 116.55 124.29 3m85 n ASP 55 Ca 0.00 -1.55 -0.36 0.00 2.57 0.00 0.00 54.79 55.45 3m85 n ASP 55 Cb 0.00 -0.00 -0.07 0.00 1.84 0.00 0.00 41.12 42.89 3m85 n ASP 55 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3m85 s THR 56 N -1.99 4.26 -0.14 -3.53 2.01 -0.95 -4.45 115.64 110.84 3m85 s THR 56 Ca 0.37 1.74 -0.23 0.00 0.31 0.00 0.00 61.69 63.87 3m85 s THR 56 Cb 0.21 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.84 3m85 s THR 56 CO 0.33 0.07 0.59 0.00 -0.69 0.00 0.00 174.62 174.92 3m85 s GLN 57 N -2.23 0.81 -0.11 4.92 -2.07 -0.52 1.00 119.66 121.46 3m85 s GLN 57 Ca 0.52 0.52 -0.10 0.00 -1.82 0.00 0.00 55.36 54.48 3m85 s GLN 57 Cb -0.17 0.39 0.03 0.00 -1.09 0.00 0.00 33.01 32.17 3m85 s GLN 57 CO 0.22 -0.17 0.30 0.54 -1.32 0.00 0.00 175.29 174.85 3m85 s VAL 58 N -0.37 -0.01 0.21 3.63 0.11 -0.61 -1.14 120.40 122.23 3m85 s VAL 58 Ca -0.05 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 3m85 s VAL 58 Cb -0.03 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 3m85 s VAL 58 CO 0.04 0.01 0.18 -0.69 -3.33 0.00 0.00 175.10 171.31 3m85 s VAL 59 N 0.34 4.53 -0.11 2.04 1.01 -0.72 -0.98 120.40 126.50 3m85 s VAL 59 Ca -0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 3m85 s VAL 59 Cb -0.03 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 33.01 3m85 s VAL 59 CO -0.01 -0.24 0.23 -0.69 0.00 0.00 0.00 175.10 174.39 3m85 s VAL 60 N -1.96 -0.19 -0.08 2.92 1.01 -0.47 -1.41 120.40 120.23 3m85 s VAL 60 Ca 0.32 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.55 3m85 s VAL 60 Cb -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3m85 s VAL 60 CO 0.25 0.09 -0.17 -0.83 0.00 0.00 0.00 175.10 174.44 3m85 s GLY 61 N 1.74 0.99 -0.17 4.51 0.00 -1.08 -1.66 107.32 111.65 3m85 s GLY 61 Ca -0.05 -0.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.90 3m85 s GLY 61 CO -0.08 -0.06 0.34 0.14 0.00 0.00 0.00 173.10 173.44 3m85 s VAL 62 N 0.52 5.26 0.29 1.40 1.01 0.00 -2.64 120.40 126.24 3m85 s VAL 62 Ca -0.16 0.63 0.10 0.00 0.00 0.00 0.00 61.98 62.56 3m85 s VAL 62 Cb -0.16 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3m85 s VAL 62 CO 0.06 0.33 -0.05 -0.54 0.00 0.00 0.00 175.10 174.90 3m85 s LYS 63 N 0.79 2.05 -0.03 2.72 -0.14 -1.00 -1.39 119.74 122.75 3m85 s LYS 63 Ca 0.18 -1.63 -0.16 0.00 -1.36 0.00 0.00 55.97 53.00 3m85 s LYS 63 Cb -0.14 -1.97 0.03 0.00 -1.68 0.00 0.00 37.83 34.07 3m85 s LYS 63 CO 0.06 0.28 0.35 -1.64 -0.76 0.00 0.00 175.35 173.63 3m85 s MET 64 N -3.64 0.69 -0.22 1.68 -1.94 -1.26 -1.08 119.30 113.52 3m85 s MET 64 Ca 0.32 -0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.90 3m85 s MET 64 Cb -0.04 0.31 0.16 0.00 2.01 0.00 0.00 34.83 37.27 3m85 s MET 64 CO 0.18 -0.19 1.16 1.14 -0.01 0.00 0.00 175.02 177.31 3m85 s GLN 65 N -1.22 0.35 0.58 2.03 -2.07 -1.20 -4.93 119.66 113.21 3m85 s GLN 65 Ca -0.12 0.09 -0.19 0.00 -1.82 0.00 0.00 55.36 53.32 3m85 s GLN 65 Cb -0.05 0.17 -0.06 0.00 -1.09 0.00 0.00 33.01 31.98 3m85 s GLN 65 CO 0.04 -0.11 0.84 -2.30 -1.32 0.00 0.00 175.29 172.45 3m85 n PRO 66 N 0.67 0.82 0.00 9.60 -0.02 -1.26 -1.97 135.00 142.84 3m85 n PRO 66 Ca -0.06 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3m85 n PRO 66 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 3m85 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m85 n GLY 67 N 1.42 -0.99 3.82 -1.23 0.00 -1.11 -4.84 105.19 102.26 3m85 n GLY 67 Ca 0.13 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3m85 n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 68 N -2.00 3.81 0.94 1.61 0.41 -1.26 -1.76 118.70 120.44 3m85 s GLU 68 Ca 0.00 -0.04 -0.13 0.00 -0.41 0.00 0.00 54.97 54.39 3m85 s GLU 68 Cb 0.00 -3.28 0.15 0.00 -1.78 0.00 0.00 34.13 29.22 3m85 s GLU 68 CO 0.00 0.57 1.14 -2.14 -0.49 0.00 0.00 175.26 174.35 3m85 s PRO 69 N -0.48 0.93 0.61 0.39 0.02 -1.26 -4.97 135.00 130.24 3m85 s PRO 69 Ca 0.15 0.24 -0.14 0.00 0.02 0.00 0.00 61.00 61.27 3m85 s PRO 69 Cb -0.13 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 3m85 s PRO 69 CO 0.04 -2.33 1.04 0.00 -0.33 0.00 0.00 177.00 175.42 3m85 s ALA 70 N -3.28 2.82 0.29 -1.55 0.00 -1.25 -4.94 121.76 113.85 3m85 s ALA 70 Ca 0.65 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3m85 s ALA 70 Cb -0.14 -3.18 0.74 0.00 0.00 0.00 0.00 23.12 20.54 3m85 s ALA 70 CO 0.54 -0.81 1.63 -1.35 0.00 0.00 0.00 175.76 175.77 3m85 h PRO 71 N 0.12 0.15 0.00 0.00 0.11 -2.03 -3.09 132.00 127.26 3m85 h PRO 71 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m85 h PRO 71 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m85 h PRO 71 CO 0.58 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3m85 n ASP 72 N -5.28 0.00 -4.60 -2.05 5.75 -1.26 -4.54 116.55 104.57 3m85 n ASP 72 Ca 0.22 0.36 -0.43 0.00 -0.01 0.00 0.00 54.79 54.93 3m85 n ASP 72 Cb 0.72 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 3m85 n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m85 s THR 73 N -0.72 3.91 -2.23 2.12 2.01 -1.17 -4.78 115.64 114.79 3m85 s THR 73 Ca 0.00 0.92 0.26 0.00 0.31 0.00 0.00 61.69 63.18 3m85 s THR 73 Cb 0.00 -4.23 0.27 0.00 0.01 0.00 0.00 72.50 68.55 3m85 s THR 73 CO 0.00 -0.78 1.45 -2.65 -0.69 0.00 0.00 174.62 171.95 3m85 n PRO 74 N 8.09 1.40 0.00 4.92 -0.02 -1.26 -3.89 135.00 144.24 3m85 n PRO 74 Ca 0.16 -0.98 0.12 0.00 -2.02 0.00 0.00 63.50 60.78 3m85 n PRO 74 Cb 0.48 -1.48 0.12 0.00 -0.02 0.00 0.00 33.50 32.60 3m85 n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3m85 n ASP 75 N 0.05 1.55 -3.89 2.55 4.64 -1.26 -1.66 116.55 118.54 3m85 n ASP 75 Ca 0.14 -1.22 -0.09 0.00 -1.38 0.00 0.00 54.79 52.23 3m85 n ASP 75 Cb 0.42 0.40 -0.06 0.00 -1.04 0.00 0.00 41.12 40.84 3m85 n ASP 75 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 3m85 s ARG 76 N -2.55 1.17 0.00 -0.67 0.52 -1.26 -4.61 118.95 111.55 3m85 s ARG 76 Ca 0.19 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3m85 s ARG 76 Cb 0.18 0.41 0.00 0.00 0.52 0.00 0.00 34.95 36.06 3m85 s ARG 76 CO 0.58 -0.44 0.00 0.41 0.02 0.00 0.00 175.30 175.87 3m85 n GLY 77 N -0.23 -0.86 3.21 -3.53 0.00 0.49 -4.77 105.19 99.50 3m85 n GLY 77 Ca -0.09 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.21 3m85 n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m85 s VAL 78 N -0.09 0.11 -0.19 1.61 -7.23 -1.14 -4.93 120.40 108.54 3m85 s VAL 78 Ca 0.00 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3m85 s VAL 78 Cb 0.00 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.94 3m85 s VAL 78 CO 0.00 -0.50 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.58 3m85 s ILE 79 N -2.98 1.41 -0.05 -0.62 1.01 -1.26 0.06 121.20 118.78 3m85 s ILE 79 Ca -0.02 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 3m85 s ILE 79 Cb 0.01 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3m85 s ILE 79 CO -0.06 0.14 0.13 -0.63 0.00 0.00 0.00 174.94 174.51 3m85 s ILE 80 N 1.50 5.19 -0.36 2.92 -1.09 -0.77 -5.00 121.20 123.59 3m85 s ILE 80 Ca -0.01 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.30 3m85 s ILE 80 Cb -0.16 -3.34 0.13 0.00 -1.58 0.00 0.00 42.46 37.51 3m85 s ILE 80 CO -0.08 0.45 0.19 -0.69 -1.23 0.00 0.00 174.94 173.58 3m85 s VAL 81 N -1.16 0.55 0.30 2.92 1.01 -1.26 -1.86 120.40 120.90 3m85 s VAL 81 Ca 0.21 -1.78 0.06 0.00 0.00 0.00 0.00 61.98 60.47 3m85 s VAL 81 Cb -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3m85 s VAL 81 CO 0.11 -0.89 0.42 0.20 0.00 0.00 0.00 175.10 174.95 3m85 s ASN 82 N 1.08 6.10 0.19 3.32 0.02 -0.93 -4.55 114.94 120.17 3m85 s ASN 82 Ca 0.16 -0.09 -0.04 0.00 -1.02 0.00 0.00 52.86 51.86 3m85 s ASN 82 Cb -0.22 -1.48 -0.03 0.00 0.02 0.00 0.00 41.25 39.55 3m85 s ASN 82 CO -0.07 -0.29 0.20 0.00 0.02 0.00 0.00 177.10 176.96 3m85 s ALA 83 N -2.10 0.65 -0.11 0.60 0.00 -1.26 -0.21 121.76 119.34 3m85 s ALA 83 Ca 0.41 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 3m85 s ALA 83 Cb -0.09 1.12 0.05 0.00 0.00 0.00 0.00 23.12 24.21 3m85 s ALA 83 CO 0.30 -0.62 0.22 -1.21 0.00 0.00 0.00 175.76 174.45 3m85 s GLU 84 N -4.08 0.12 -1.10 0.00 2.02 -0.56 -4.90 118.70 110.20 3m85 s GLU 84 Ca 0.29 0.62 -0.04 0.00 0.02 0.00 0.00 54.97 55.86 3m85 s GLU 84 Cb 0.05 -0.13 0.29 0.00 0.10 0.00 0.00 34.13 34.44 3m85 s GLU 84 CO 0.07 -0.26 1.57 1.28 0.02 0.00 0.00 175.26 177.94 3m85 n LEU 85 N 5.03 6.56 -4.25 1.80 4.32 -1.26 -2.79 117.00 126.41 3m85 n LEU 85 Ca -0.11 -5.16 -0.34 0.00 -0.02 0.00 0.00 56.01 50.37 3m85 n LEU 85 Cb 0.50 -1.29 0.11 0.00 -1.62 0.00 0.00 43.42 41.13 3m85 n LEU 85 CO 0.07 1.70 -0.69 1.33 -1.22 0.00 0.00 177.39 178.57 3m85 n VAL 86 N 1.43 0.00 1.07 4.08 0.24 -1.26 -4.29 118.33 119.59 3m85 n VAL 86 Ca 0.30 -0.26 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 3m85 n VAL 86 Cb 0.33 -0.44 0.57 0.00 -1.47 0.00 0.00 33.84 32.83 3m85 n VAL 86 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3m85 n PRO 87 N -0.60 0.33 -0.27 7.34 -0.02 -1.25 -2.86 135.00 137.67 3m85 n PRO 87 Ca 0.02 0.07 -0.05 0.00 -2.02 0.00 0.00 63.50 61.53 3m85 n PRO 87 Cb 0.59 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.63 3m85 n PRO 87 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m85 h LEU 88 N 0.00 0.87 -0.24 2.45 5.85 -1.89 -3.02 115.31 119.33 3m85 h LEU 88 Ca 0.00 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3m85 h LEU 88 Cb 0.20 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3m85 h LEU 88 CO 0.00 0.65 -0.27 0.00 -0.34 0.00 0.00 178.44 178.48 3m85 h ALA 89 N 1.25 0.85 -2.42 1.25 0.00 -1.48 -3.45 119.26 115.26 3m85 h ALA 89 Ca 0.27 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3m85 h ALA 89 Cb -0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 17.52 3m85 h ALA 89 CO -0.05 0.34 0.38 0.45 0.00 0.00 0.00 179.25 180.36 3m85 s SER 90 N -6.30 -0.46 0.05 0.00 0.15 -1.14 -2.70 113.70 103.30 3m85 s SER 90 Ca 0.04 0.11 -0.34 0.00 0.70 0.00 0.00 55.95 56.46 3m85 s SER 90 Cb 0.07 0.46 -0.19 0.00 -1.71 0.00 0.00 66.02 64.65 3m85 s SER 90 CO 0.69 -0.71 1.50 -0.65 1.20 0.00 0.00 173.24 175.27 3m85 h PRO 91 N 2.15 -1.07 -0.40 5.44 0.11 -1.92 -3.33 132.00 132.98 3m85 h PRO 91 Ca -0.26 0.07 0.08 0.00 0.11 0.00 0.00 66.00 66.00 3m85 h PRO 91 Cb 1.25 0.24 -0.08 0.00 0.11 0.00 0.00 31.00 32.52 3m85 h PRO 91 CO 0.34 -0.71 -0.09 1.15 -0.21 0.00 0.00 178.00 178.48 3m85 h THR 92 N -1.18 0.61 -1.15 -1.15 2.02 -1.96 -3.45 112.91 106.65 3m85 h THR 92 Ca -0.11 -0.00 -0.76 0.00 0.77 0.00 0.00 66.41 66.31 3m85 h THR 92 Cb 0.86 0.60 0.06 0.00 -1.74 0.00 0.00 68.15 67.93 3m85 h THR 92 CO 0.19 0.00 0.07 0.49 0.37 0.00 0.00 175.52 176.64 3m85 n PHE 93 N -5.30 0.69 -1.32 3.16 0.99 -1.25 -4.89 117.46 109.54 3m85 n PHE 93 Ca 0.02 0.97 -0.33 0.00 -0.00 0.00 0.00 57.45 58.12 3m85 n PHE 93 Cb 0.22 -2.12 0.10 0.00 -1.00 0.00 0.00 39.48 36.68 3m85 n PHE 93 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3m85 s GLU 94 N -0.04 2.06 0.00 -1.08 8.01 -1.26 -4.07 118.70 122.32 3m85 s GLU 94 Ca 0.87 1.56 0.00 0.00 0.01 0.00 0.00 54.97 57.41 3m85 s GLU 94 Cb -1.17 -1.84 0.00 0.00 -4.31 0.00 0.00 34.13 26.80 3m85 s GLU 94 CO 0.55 -1.85 0.32 -2.30 0.01 0.00 0.00 175.26 171.99 3m85 n PRO 95 N -3.08 0.00 -2.34 0.39 -0.02 -1.26 -3.96 135.00 124.72 3m85 n PRO 95 Ca 0.12 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3m85 n PRO 95 Cb 0.51 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 3m85 n PRO 95 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3m85 s GLY 96 N -1.44 2.56 0.66 -1.23 0.00 -1.26 -4.81 107.32 101.81 3m85 s GLY 96 Ca 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 45.60 3m85 s GLY 96 CO 0.00 1.94 1.01 2.56 0.00 0.00 0.00 173.10 178.62 3m85 s PRO 97 N 0.04 2.80 -0.24 2.90 0.04 -1.26 -4.39 135.00 134.89 3m85 s PRO 97 Ca 0.55 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 3m85 s PRO 97 Cb -0.33 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3m85 s PRO 97 CO 0.35 -0.94 0.06 -1.25 0.04 0.00 0.00 177.00 175.26 3m85 s PRO 98 N -5.21 3.66 1.16 0.56 0.05 -1.26 -5.18 135.00 128.78 3m85 s PRO 98 Ca 0.57 -0.48 -0.18 0.00 0.05 0.00 0.00 61.00 60.96 3m85 s PRO 98 Cb -0.11 -3.27 0.27 0.00 0.05 0.00 0.00 34.50 31.44 3m85 s PRO 98 CO 0.48 -0.13 1.11 0.34 0.05 0.00 0.00 177.00 178.86 3m85 s ASP 99 N 1.43 1.27 -0.06 6.66 -1.08 -1.26 -4.88 116.67 118.75 3m85 s ASP 99 Ca 0.05 0.71 -0.24 0.00 -0.52 0.00 0.00 52.55 52.55 3m85 s ASP 99 Cb -0.15 -1.02 -0.19 0.00 -1.46 0.00 0.00 42.92 40.10 3m85 s ASP 99 CO 0.03 -3.92 1.01 1.05 0.52 0.00 0.00 175.17 173.86 3m85 h GLU 100 N -2.44 -0.09 -0.67 4.34 4.11 -1.99 -2.84 114.58 115.00 3m85 h GLU 100 Ca -0.47 0.01 0.14 0.00 0.07 0.00 0.00 59.36 59.11 3m85 h GLU 100 Cb 1.30 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.46 3m85 h GLU 100 CO 0.38 0.47 0.05 -0.91 0.07 0.00 0.00 179.01 179.07 3m85 h ASN 101 N -0.74 -0.21 -0.52 3.06 2.35 -1.99 0.34 115.58 117.88 3m85 h ASN 101 Ca -0.01 0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3m85 h ASN 101 Cb 0.60 0.26 -0.08 0.00 0.05 0.00 0.00 38.32 39.15 3m85 h ASN 101 CO 0.01 -0.10 -0.47 0.28 -1.65 0.00 0.00 177.43 175.50 3m85 h SER 102 N 0.15 -1.64 -0.91 5.81 0.02 -1.94 0.30 113.55 115.34 3m85 h SER 102 Ca 0.36 0.23 0.21 0.00 -0.84 0.00 0.00 61.79 61.75 3m85 h SER 102 Cb 0.60 0.69 -0.12 0.00 0.14 0.00 0.00 62.40 63.71 3m85 h SER 102 CO -0.54 -0.28 0.45 0.40 -1.14 0.00 0.00 176.83 175.71 3m85 h ILE 103 N -0.21 0.54 0.49 3.27 1.08 -0.15 -2.38 117.51 120.15 3m85 h ILE 103 Ca 0.09 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3m85 h ILE 103 Cb 0.44 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3m85 h ILE 103 CO -0.60 0.09 -0.24 -0.08 -0.69 0.00 0.00 178.15 176.63 3m85 h GLU 104 N 0.49 -0.63 -0.57 2.37 4.57 0.85 -2.21 114.58 119.44 3m85 h GLU 104 Ca 0.56 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.90 3m85 h GLU 104 Cb 1.02 0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.66 3m85 h GLU 104 CO -0.48 -0.42 0.03 1.25 -1.18 0.00 0.00 179.01 178.20 3m85 h LEU 105 N -0.71 -0.19 -0.20 1.64 6.46 -0.91 0.22 115.31 121.62 3m85 h LEU 105 Ca -0.07 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 3m85 h LEU 105 Cb 0.50 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 40.59 3m85 h LEU 105 CO 0.11 -0.07 -0.45 0.00 -0.62 0.00 0.00 178.44 177.41 3m85 h ALA 106 N 1.50 -0.62 -0.03 1.25 0.00 -1.47 -1.54 119.26 118.34 3m85 h ALA 106 Ca 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3m85 h ALA 106 Cb 0.46 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3m85 h ALA 106 CO -0.46 -0.95 0.02 0.00 0.00 0.00 0.00 179.25 177.85 3m85 h ARG 107 N -0.47 0.05 -0.59 0.00 3.08 -0.02 0.32 114.38 116.74 3m85 h ARG 107 Ca 0.08 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.24 3m85 h ARG 107 Cb 0.63 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 3m85 h ARG 107 CO -0.45 0.16 -0.25 0.28 -1.07 0.00 0.00 179.97 178.63 3m85 h VAL 108 N -0.07 0.26 -0.94 2.04 2.07 -0.82 0.48 116.25 119.27 3m85 h VAL 108 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3m85 h VAL 108 Cb 0.12 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 3m85 h VAL 108 CO -0.00 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.76 3m85 h VAL 109 N -0.10 1.25 -0.49 2.57 2.07 -0.58 -1.84 116.25 119.13 3m85 h VAL 109 Ca 0.26 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3m85 h VAL 109 Cb 0.52 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3m85 h VAL 109 CO -0.66 0.26 0.05 -0.78 0.02 0.00 0.00 177.57 176.46 3m85 h ASP 110 N 1.29 0.74 0.60 0.57 -0.00 0.18 -2.95 116.42 116.85 3m85 h ASP 110 Ca 0.34 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.03 57.19 3m85 h ASP 110 Cb -0.09 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.04 3m85 h ASP 110 CO -0.07 0.78 -0.41 0.03 -0.00 0.00 0.00 179.24 179.57 3m85 h ARG 111 N 0.74 -0.92 -0.77 0.28 3.08 0.71 -0.17 114.38 117.32 3m85 h ARG 111 Ca 0.15 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.44 3m85 h ARG 111 Cb 0.38 0.21 -0.14 0.00 0.08 0.00 0.00 29.97 30.50 3m85 h ARG 111 CO 0.01 -0.61 -0.03 0.78 -1.07 0.00 0.00 179.97 179.05 3m85 h GLY 112 N -0.96 0.82 0.90 0.04 0.00 -1.51 1.91 103.07 104.28 3m85 h GLY 112 Ca -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3m85 h GLY 112 CO 0.05 -0.30 -0.35 -2.22 0.00 0.00 0.00 176.54 173.72 3m85 h ILE 113 N 0.08 0.21 -0.33 2.60 5.03 -1.40 -0.13 117.51 123.56 3m85 h ILE 113 Ca 0.42 -0.14 -0.04 0.00 -0.12 0.00 0.00 64.86 64.97 3m85 h ILE 113 Cb 0.73 0.25 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 3m85 h ILE 113 CO -0.70 0.01 0.03 -0.09 -0.68 0.00 0.00 178.15 176.72 3m85 h ARG 114 N -1.09 0.50 0.00 2.37 2.43 -0.29 -2.80 114.38 115.50 3m85 h ARG 114 Ca -0.10 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 58.82 3m85 h ARG 114 Cb 0.77 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3m85 h ARG 114 CO 0.16 0.51 -0.73 0.93 -1.51 0.00 0.00 179.97 179.33 3m85 h GLU 115 N 0.49 0.00 0.00 0.20 4.39 0.30 -3.03 114.58 116.93 3m85 h GLU 115 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3m85 h GLU 115 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3m85 h GLU 115 CO 0.01 0.73 0.00 0.43 -1.16 0.00 0.00 179.01 179.01 3m85 n SER 116 N -3.47 0.00 -3.42 1.42 7.64 -0.07 -4.86 113.62 110.86 3m85 n SER 116 Ca 0.00 -0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.63 3m85 n SER 116 Cb 0.76 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 3m85 n SER 116 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3m85 n GLU 117 N -1.32 -3.11 0.00 1.43 1.02 -1.14 -4.60 120.64 112.92 3m85 n GLU 117 Ca 0.12 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3m85 n GLU 117 Cb 0.25 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.58 3m85 n GLU 117 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m85 n ALA 118 N -3.51 2.25 -3.57 0.62 0.00 -1.14 -4.40 120.51 110.76 3m85 n ALA 118 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 3m85 n ALA 118 Cb 0.53 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 3m85 n ALA 118 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3m85 s VAL 119 N -0.73 -0.00 -1.20 0.00 1.01 -1.26 -3.44 120.40 114.78 3m85 s VAL 119 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3m85 s VAL 119 Cb 0.00 -0.91 0.19 0.00 0.00 0.00 0.00 36.38 35.66 3m85 s VAL 119 CO 0.00 0.00 1.42 -0.67 0.00 0.00 0.00 175.10 175.85 3m85 n ASP 120 N 2.82 5.27 0.06 3.32 4.64 -1.22 -4.82 116.55 126.62 3m85 n ASP 120 Ca -0.14 -3.00 0.03 0.00 -1.38 0.00 0.00 54.79 50.30 3m85 n ASP 120 Cb 0.56 -1.54 0.18 0.00 -1.04 0.00 0.00 41.12 39.27 3m85 n ASP 120 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3m85 n LEU 121 N 5.09 0.17 0.07 -2.67 4.32 -1.26 0.70 117.00 123.42 3m85 n LEU 121 Ca 0.35 0.50 -0.05 0.00 -0.02 0.00 0.00 56.01 56.79 3m85 n LEU 121 Cb 0.42 -0.50 -0.09 0.00 -1.62 0.00 0.00 43.42 41.62 3m85 n LEU 121 CO 0.61 -0.56 0.20 0.77 -1.22 0.00 0.00 177.39 177.20 3m85 h SER 122 N 0.00 0.00 0.76 -1.43 4.64 -1.88 0.14 113.55 115.78 3m85 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m85 h SER 122 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3m85 h SER 122 CO 0.00 0.91 -0.14 0.29 -0.87 0.00 0.00 176.83 177.02 3m85 n LYS 123 N -3.33 0.12 -1.31 4.77 5.02 0.22 -3.61 118.16 120.04 3m85 n LYS 123 Ca 0.00 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 3m85 n LYS 123 Cb 0.90 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.52 3m85 n LYS 123 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3m85 n LEU 124 N -1.41 7.34 -4.39 -0.35 4.77 -1.18 -4.92 117.00 116.86 3m85 n LEU 124 Ca 0.08 -4.11 -0.45 0.00 -0.03 0.00 0.00 56.01 51.50 3m85 n LEU 124 Cb 0.32 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 3m85 n LEU 124 CO 0.28 1.37 0.15 -0.69 -1.33 0.00 0.00 177.39 177.17 3m85 s VAL 125 N -4.39 5.12 0.01 4.08 1.01 -1.24 0.41 120.40 125.40 3m85 s VAL 125 Ca 0.62 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3m85 s VAL 125 Cb 0.50 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3m85 s VAL 125 CO 0.02 -0.72 1.10 0.40 0.00 0.00 0.00 175.10 175.91 3m85 h ILE 126 N 5.81 0.00 -3.83 2.22 2.04 -1.52 -3.45 117.51 118.79 3m85 h ILE 126 Ca -0.29 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.37 3m85 h ILE 126 Cb 1.10 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.93 3m85 h ILE 126 CO 0.94 0.00 -0.71 -1.83 0.00 0.00 0.00 178.15 176.55 3m85 s GLU 127 N -3.53 0.12 0.33 2.37 -1.05 -0.37 -4.99 118.70 111.58 3m85 s GLU 127 Ca -0.04 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.26 3m85 s GLU 127 Cb 0.00 0.04 -0.11 0.00 -0.44 0.00 0.00 34.13 33.62 3m85 s GLU 127 CO 0.11 -0.02 1.51 -2.00 0.95 0.00 0.00 175.26 175.81 3m85 s GLU 128 N -0.55 4.14 -0.38 -4.83 2.12 -1.26 -2.27 118.70 115.67 3m85 s GLU 128 Ca -0.06 2.53 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3m85 s GLU 128 Cb -0.04 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3m85 s GLU 128 CO -0.00 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 3m85 n GLY 129 N 1.22 0.57 0.00 -1.50 0.00 -0.67 -4.64 105.19 100.18 3m85 n GLY 129 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3m85 n GLY 129 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m85 n GLU 130 N -1.60 0.00 -3.83 1.61 2.13 -1.20 -4.96 120.64 112.80 3m85 n GLU 130 Ca -0.04 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.65 3m85 n GLU 130 Cb 0.28 -0.22 -0.15 0.00 0.27 0.00 0.00 31.44 31.62 3m85 n GLU 130 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3m85 s LYS 131 N -1.00 -0.00 0.10 5.31 1.02 -0.96 -4.08 119.74 120.12 3m85 s LYS 131 Ca 0.00 0.09 -0.17 0.00 0.02 0.00 0.00 55.97 55.90 3m85 s LYS 131 Cb 0.00 -0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.26 3m85 s LYS 131 CO 0.00 -0.07 0.42 0.14 -0.92 0.00 0.00 175.35 174.92 3m85 s VAL 132 N 0.42 0.06 -0.19 3.17 -7.23 -0.72 -1.24 120.40 114.67 3m85 s VAL 132 Ca -0.03 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 3m85 s VAL 132 Cb -0.05 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 3m85 s VAL 132 CO -0.01 -0.27 1.36 0.26 -0.31 0.00 0.00 175.10 176.13 3m85 s TRP 133 N -3.32 2.61 -0.38 2.82 0.23 0.17 -2.73 118.94 118.33 3m85 s TRP 133 Ca -0.00 0.81 -0.16 0.00 -2.03 0.00 0.00 56.10 54.72 3m85 s TRP 133 Cb 0.01 -3.71 0.00 0.00 0.03 0.00 0.00 33.47 29.80 3m85 s TRP 133 CO -0.09 -2.13 0.38 0.42 0.96 0.00 0.00 176.95 176.50 3m85 s ILE 134 N 3.98 5.15 -0.49 2.03 1.01 -0.83 -2.86 121.20 129.19 3m85 s ILE 134 Ca 0.59 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.89 3m85 s ILE 134 Cb -0.22 -3.91 0.06 0.00 0.01 0.00 0.00 42.46 38.39 3m85 s ILE 134 CO 0.20 -0.24 0.59 -0.69 0.00 0.00 0.00 174.94 174.81 3m85 s VAL 135 N 2.03 4.92 0.44 2.92 1.01 0.11 -3.20 120.40 128.62 3m85 s VAL 135 Ca 0.11 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 3m85 s VAL 135 Cb -0.17 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 3m85 s VAL 135 CO 0.12 -0.75 0.91 -0.36 0.00 0.00 0.00 175.10 175.02 3m85 s PHE 136 N 2.51 3.39 -0.33 5.22 0.40 -0.25 -1.85 117.98 127.07 3m85 s PHE 136 Ca 0.14 1.44 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 3m85 s PHE 136 Cb -0.19 -2.74 0.16 0.00 0.51 0.00 0.00 43.02 40.76 3m85 s PHE 136 CO 0.12 -0.17 0.40 0.08 0.70 0.00 0.00 175.22 176.35 3m85 s VAL 137 N -2.32 -0.54 -0.24 -0.44 1.01 -0.78 -2.36 120.40 114.73 3m85 s VAL 137 Ca 0.59 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 3m85 s VAL 137 Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3m85 s VAL 137 CO 0.22 -0.38 0.10 -1.81 0.00 0.00 0.00 175.10 173.22 3m85 s ASP 138 N 2.09 5.47 0.01 3.32 1.11 -1.08 -2.19 116.67 125.40 3m85 s ASP 138 Ca 0.13 -0.09 -0.22 0.00 0.18 0.00 0.00 52.55 52.54 3m85 s ASP 138 Cb -0.13 -1.98 -0.05 0.00 1.07 0.00 0.00 42.92 41.83 3m85 s ASP 138 CO -0.20 0.01 0.66 -0.63 1.18 0.00 0.00 175.17 176.19 3m85 s ILE 139 N 1.37 4.86 -0.24 0.77 1.01 0.71 -2.63 121.20 127.05 3m85 s ILE 139 Ca 0.06 1.39 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 3m85 s ILE 139 Cb -0.15 -4.00 0.08 0.00 0.01 0.00 0.00 42.46 38.40 3m85 s ILE 139 CO 0.05 0.39 0.06 -2.28 0.00 0.00 0.00 174.94 173.15 3m85 s HIS 140 N -0.06 1.25 0.22 3.97 2.46 -0.50 -1.50 115.29 121.13 3m85 s HIS 140 Ca 0.34 -1.18 -0.30 0.00 0.47 0.00 0.00 55.06 54.39 3m85 s HIS 140 Cb -0.19 -1.26 -0.09 0.00 -0.13 0.00 0.00 32.58 30.92 3m85 s HIS 140 CO 0.19 -0.72 1.19 0.00 -2.47 0.00 0.00 174.74 172.93 3m85 s ALA 141 N 1.78 3.44 -0.19 1.58 0.00 -1.12 -1.76 121.76 125.49 3m85 s ALA 141 Ca 0.03 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 3m85 s ALA 141 Cb -0.17 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 3m85 s ALA 141 CO -0.16 -0.36 -0.26 1.28 0.00 0.00 0.00 175.76 176.27 3m85 n LEU 142 N 2.06 1.44 -3.89 0.00 4.77 -0.60 -4.46 117.00 116.32 3m85 n LEU 142 Ca 0.03 0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3m85 n LEU 142 Cb 0.44 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.79 3m85 n LEU 142 CO 0.56 0.31 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.92 3m85 s ASP 143 N -6.69 0.63 -0.45 -1.43 3.68 -0.29 -3.19 116.67 108.93 3m85 s ASP 143 Ca -0.27 -0.08 -0.03 0.00 2.13 0.00 0.00 52.55 54.30 3m85 s ASP 143 Cb 0.10 -0.24 0.12 0.00 -1.45 0.00 0.00 42.92 41.44 3m85 s ASP 143 CO 0.34 -0.03 0.26 -0.62 0.13 0.00 0.00 175.17 175.25 3m85 s ASP 144 N 0.61 5.30 -0.03 -0.34 3.68 -1.10 -1.43 116.67 123.36 3m85 s ASP 144 Ca -0.07 -2.17 0.10 0.00 2.13 0.00 0.00 52.55 52.54 3m85 s ASP 144 Cb -0.10 -1.85 0.28 0.00 -1.45 0.00 0.00 42.92 39.80 3m85 s ASP 144 CO -0.01 -0.53 1.23 -0.67 0.13 0.00 0.00 175.17 175.32 3m85 n ASP 145 N 4.43 2.87 0.00 -0.34 4.64 -1.26 -4.93 116.55 121.95 3m85 n ASP 145 Ca -0.01 -2.21 0.00 0.00 -1.38 0.00 0.00 54.79 51.19 3m85 n ASP 145 Cb 0.41 -0.24 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 3m85 n ASP 145 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3m85 n GLY 146 N 0.06 3.64 3.18 0.27 0.00 -1.26 0.14 105.19 111.22 3m85 n GLY 146 Ca 0.11 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 3m85 n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m85 n ASN 147 N 0.00 -5.43 0.21 1.61 4.05 -1.25 -4.80 115.26 109.64 3m85 n ASN 147 Ca 0.00 -0.43 0.18 0.00 0.45 0.00 0.00 54.58 54.78 3m85 n ASN 147 Cb 0.00 -4.14 0.82 0.00 1.23 0.00 0.00 39.78 37.69 3m85 n ASN 147 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3m85 h LEU 148 N -2.16 0.00 0.77 1.20 3.38 -1.93 -2.15 115.31 114.42 3m85 h LEU 148 Ca -0.46 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3m85 h LEU 148 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3m85 h LEU 148 CO 0.45 0.00 -0.40 0.25 0.09 0.00 0.00 178.44 178.83 3m85 h LEU 149 N 0.00 -0.97 -0.10 1.67 5.85 -1.98 0.71 115.31 120.49 3m85 h LEU 149 Ca 0.10 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3m85 h LEU 149 Cb 0.71 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3m85 h LEU 149 CO -0.00 -0.66 0.03 0.44 -0.34 0.00 0.00 178.44 177.91 3m85 h ASP 150 N -1.07 0.04 -0.60 1.25 3.45 -1.78 -0.79 116.42 116.91 3m85 h ASP 150 Ca -0.10 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.48 3m85 h ASP 150 Cb 0.83 0.01 -0.12 0.00 -0.56 0.00 0.00 39.33 39.49 3m85 h ASP 150 CO 0.15 0.04 -0.28 0.00 -1.57 0.00 0.00 179.24 177.58 3m85 h ALA 151 N 1.06 0.11 0.00 3.45 0.00 -1.32 0.01 119.26 122.57 3m85 h ALA 151 Ca 0.04 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3m85 h ALA 151 Cb 0.02 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3m85 h ALA 151 CO -0.05 -0.59 -0.23 0.77 0.00 0.00 0.00 179.25 179.16 3m85 h SER 152 N -0.12 0.00 -0.08 0.00 0.02 0.15 -1.31 113.55 112.21 3m85 h SER 152 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3m85 h SER 152 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3m85 h SER 152 CO -0.68 0.23 -0.04 0.00 -1.14 0.00 0.00 176.83 175.20 3m85 h ALA 153 N 1.77 0.12 0.25 3.77 0.00 0.36 -2.44 119.26 123.08 3m85 h ALA 153 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3m85 h ALA 153 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3m85 h ALA 153 CO 0.03 -0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 178.88 3m85 h LEU 154 N -0.19 -0.53 -2.43 0.00 4.07 -1.03 -2.12 115.31 113.08 3m85 h LEU 154 Ca 0.02 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 3m85 h LEU 154 Cb 0.48 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 3m85 h LEU 154 CO 0.01 -0.31 -0.02 0.00 -1.08 0.00 0.00 178.44 177.04 3m85 h ALA 155 N 0.24 1.38 0.04 1.53 0.00 -1.27 0.22 119.26 121.40 3m85 h ALA 155 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 3m85 h ALA 155 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3m85 h ALA 155 CO -0.02 0.03 -1.48 0.00 0.00 0.00 0.00 179.25 177.78 3m85 h ALA 156 N 1.98 0.51 0.00 0.00 0.00 -1.14 -1.86 119.26 118.74 3m85 h ALA 156 Ca -0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 54.91 53.48 3m85 h ALA 156 Cb 0.08 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3m85 h ALA 156 CO 0.00 1.36 -1.08 0.97 0.00 0.00 0.00 179.25 180.51 3m85 h ILE 157 N 0.02 1.53 0.49 0.00 6.09 -0.60 -2.11 117.51 122.93 3m85 h ILE 157 Ca -0.20 -3.24 -0.02 0.00 -1.37 0.00 0.00 64.86 60.02 3m85 h ILE 157 Cb 1.95 2.75 0.00 0.00 0.47 0.00 0.00 36.82 41.99 3m85 h ILE 157 CO 0.12 0.87 -0.23 0.00 -3.07 0.00 0.00 178.15 175.83 3m85 h ALA 158 N 1.03 -0.65 -0.75 0.18 0.00 -0.67 -2.73 119.26 115.67 3m85 h ALA 158 Ca -0.05 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3m85 h ALA 158 Cb 1.78 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.76 3m85 h ALA 158 CO 0.12 -0.81 0.42 0.00 0.00 0.00 0.00 179.25 178.98 3m85 h ALA 159 N -0.31 1.05 -0.27 0.00 0.00 -1.39 -1.87 119.26 116.46 3m85 h ALA 159 Ca -0.07 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3m85 h ALA 159 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3m85 h ALA 159 CO 0.11 0.06 -0.28 -0.07 0.00 0.00 0.00 179.25 179.07 3m85 h LEU 160 N 0.73 0.55 -0.29 0.00 3.38 -1.41 -2.87 115.31 115.39 3m85 h LEU 160 Ca 0.36 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3m85 h LEU 160 Cb 0.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3m85 h LEU 160 CO -0.23 0.81 0.08 0.24 0.09 0.00 0.00 178.44 179.43 3m85 h MET 161 N 0.47 0.45 -1.54 1.13 2.86 -1.14 -3.00 114.93 114.17 3m85 h MET 161 Ca 0.06 -0.10 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 3m85 h MET 161 Cb 0.72 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 3m85 h MET 161 CO 0.06 0.52 0.20 0.09 1.06 0.00 0.00 176.91 178.84 3m85 n ASN 162 N -4.70 5.14 -4.64 1.22 3.02 -0.74 -4.65 115.26 109.92 3m85 n ASN 162 Ca -0.02 -2.65 -0.35 0.00 -0.03 0.00 0.00 54.58 51.53 3m85 n ASN 162 Cb 0.17 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.30 3m85 n ASN 162 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m85 s THR 163 N -1.09 4.54 -0.31 3.41 2.01 -1.13 -4.46 115.64 118.61 3m85 s THR 163 Ca 0.16 -0.14 -0.06 0.00 0.31 0.00 0.00 61.69 61.96 3m85 s THR 163 Cb 0.12 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3m85 s THR 163 CO 0.01 0.52 0.07 -0.75 -0.69 0.00 0.00 174.62 173.78 3m85 s LYS 164 N -0.05 2.86 -0.07 4.92 2.20 0.13 -1.00 119.74 128.72 3m85 s LYS 164 Ca 0.05 -1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 54.36 3m85 s LYS 164 Cb -0.12 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.76 3m85 s LYS 164 CO 0.01 -0.53 2.06 0.08 -0.36 0.00 0.00 175.35 176.61 3m85 s VAL 165 N 1.44 3.04 0.00 4.02 1.01 -0.31 -4.68 120.40 124.91 3m85 s VAL 165 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3m85 s VAL 165 Cb -0.18 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3m85 s VAL 165 CO 0.02 -0.01 0.64 -2.65 0.00 0.00 0.00 175.10 173.10 3m85 n PRO 166 N 8.03 0.35 -0.24 2.72 -0.02 -1.26 -3.50 135.00 141.08 3m85 n PRO 166 Ca 0.24 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 3m85 n PRO 166 Cb 0.43 -1.33 0.15 0.00 -0.02 0.00 0.00 33.50 32.73 3m85 n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m85 h ALA 167 N 2.82 0.95 0.19 3.55 0.00 -1.87 -2.67 119.26 122.23 3m85 h ALA 167 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m85 h ALA 167 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3m85 h ALA 167 CO 0.00 -0.19 -0.13 1.49 0.00 0.00 0.00 179.25 180.42 3m85 h GLU 168 N 0.44 -0.31 -0.20 0.00 4.81 -1.72 -1.33 114.58 116.27 3m85 h GLU 168 Ca 0.37 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.68 3m85 h GLU 168 Cb 0.51 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3m85 h GLU 168 CO -0.36 -0.21 0.23 -0.09 -0.73 0.00 0.00 179.01 177.85 3m85 h ARG 169 N -0.33 0.00 -0.40 1.92 2.43 -1.78 -0.84 114.38 115.37 3m85 h ARG 169 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3m85 h ARG 169 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3m85 h ARG 169 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 3m85 n PHE 170 N -3.74 0.53 -2.17 2.20 3.72 -0.84 -4.97 117.46 112.19 3m85 n PHE 170 Ca 0.02 -0.30 -0.07 0.00 -0.05 0.00 0.00 57.45 57.05 3m85 n PHE 170 Cb 0.36 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3m85 n PHE 170 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3m85 n ASP 171 N 1.31 -2.74 -0.38 4.37 8.00 -0.32 -4.94 116.55 121.84 3m85 n ASP 171 Ca 0.18 -0.01 0.05 0.00 0.71 0.00 0.00 54.79 55.72 3m85 n ASP 171 Cb 0.56 -2.04 0.03 0.00 -0.02 0.00 0.00 41.12 39.65 3m85 n ASP 171 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m85 n LEU 172 N -1.08 1.74 0.00 0.64 4.32 -0.56 -5.04 117.00 117.02 3m85 n LEU 172 Ca -0.08 -0.95 0.00 0.00 -0.02 0.00 0.00 56.01 54.96 3m85 n LEU 172 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 3m85 n LEU 172 CO 0.10 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 3m85 n GLY 173 N 0.67 0.93 3.73 -0.72 0.00 -1.25 -4.95 105.19 103.61 3m85 n GLY 173 Ca 0.06 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 3m85 n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m85 s GLU 174 N -1.90 4.38 0.59 1.61 2.02 -1.26 -2.48 118.70 121.67 3m85 s GLU 174 Ca 0.00 0.76 -0.18 0.00 0.02 0.00 0.00 54.97 55.57 3m85 s GLU 174 Cb 0.00 -3.41 -0.07 0.00 0.10 0.00 0.00 34.13 30.76 3m85 s GLU 174 CO 0.00 0.19 0.70 -0.25 0.02 0.00 0.00 175.26 175.92 3m85 n ASP 175 N 3.35 -0.35 -3.89 -0.19 9.92 -1.26 -4.74 116.55 119.40 3m85 n ASP 175 Ca -0.04 0.75 -0.09 0.00 -0.53 0.00 0.00 54.79 54.88 3m85 n ASP 175 Cb 0.51 -1.26 -0.08 0.00 -0.64 0.00 0.00 41.12 39.65 3m85 n ASP 175 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 3m85 s TYR 176 N -1.65 0.17 0.32 1.24 1.13 -1.23 -4.99 117.35 112.35 3m85 s TYR 176 Ca 0.72 -0.56 -0.29 0.00 -1.41 0.00 0.00 57.07 55.53 3m85 s TYR 176 Cb -0.43 -0.10 -0.10 0.00 -1.10 0.00 0.00 41.96 40.23 3m85 s TYR 176 CO 0.51 -0.49 1.38 -1.17 -2.51 0.00 0.00 175.55 173.27 3m85 s LEU 177 N -2.65 4.39 0.02 -3.49 1.98 -1.26 -1.17 118.68 116.51 3m85 s LEU 177 Ca 0.02 2.77 -0.30 0.00 -2.89 0.00 0.00 54.13 53.73 3m85 s LEU 177 Cb 0.03 -3.65 -0.06 0.00 0.66 0.00 0.00 46.19 43.18 3m85 s LEU 177 CO -0.09 -0.65 1.35 -0.22 -1.89 0.00 0.00 176.35 174.86 3m85 s LEU 178 N -1.57 4.33 -0.67 -0.68 0.20 -0.17 -4.82 118.68 115.29 3m85 s LEU 178 Ca 0.52 2.10 -0.26 0.00 0.69 0.00 0.00 54.13 57.18 3m85 s LEU 178 Cb -0.42 -3.57 -0.07 0.00 -0.43 0.00 0.00 46.19 41.71 3m85 s LEU 178 CO 0.53 -0.67 2.20 -2.84 -0.29 0.00 0.00 176.35 175.29 3m85 s PRO 179 N 2.05 2.17 -0.32 0.98 0.02 -1.26 -4.92 135.00 133.71 3m85 s PRO 179 Ca 0.62 0.69 -0.05 0.00 0.02 0.00 0.00 61.00 62.29 3m85 s PRO 179 Cb -0.31 -4.67 0.04 0.00 0.02 0.00 0.00 34.50 29.58 3m85 s PRO 179 CO 0.27 -3.47 0.07 0.08 -0.33 0.00 0.00 177.00 173.62 3m85 s VAL 180 N 11.77 3.54 0.00 3.83 1.01 -1.26 -3.43 120.40 135.86 3m85 s VAL 180 Ca 0.84 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3m85 s VAL 180 Cb -0.13 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3m85 s VAL 180 CO 0.16 -0.14 0.15 -1.14 0.00 0.00 0.00 175.10 174.13 3m85 n ARG 181 N 4.76 0.00 -2.23 2.72 0.63 -1.22 -4.97 116.66 116.34 3m85 n ARG 181 Ca -0.13 0.22 -0.20 0.00 -0.92 0.00 0.00 57.85 56.82 3m85 n ARG 181 Cb 0.44 -0.82 0.11 0.00 0.45 0.00 0.00 32.46 32.64 3m85 n ARG 181 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3m85 n ASP 182 N -1.17 1.06 -3.34 6.15 4.64 -1.26 -5.00 116.55 117.63 3m85 n ASP 182 Ca 0.00 -1.93 -0.20 0.00 -1.38 0.00 0.00 54.79 51.28 3m85 n ASP 182 Cb 0.00 -0.58 -0.08 0.00 -1.04 0.00 0.00 41.12 39.41 3m85 n ASP 182 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3m85 s LEU 183 N 0.00 0.30 0.35 -2.67 0.20 -1.26 -4.76 118.68 110.84 3m85 s LEU 183 Ca 0.58 -1.99 -0.27 0.00 0.69 0.00 0.00 54.13 53.13 3m85 s LEU 183 Cb -0.03 0.30 -0.09 0.00 -0.43 0.00 0.00 46.19 45.94 3m85 s LEU 183 CO 0.38 -0.23 1.19 -2.84 -0.29 0.00 0.00 176.35 174.56 3m85 s PRO 184 N 1.05 4.27 -0.05 0.98 0.02 -1.26 -3.75 135.00 136.26 3m85 s PRO 184 Ca 0.21 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 3m85 s PRO 184 Cb -0.12 -2.89 0.04 0.00 0.02 0.00 0.00 34.50 31.54 3m85 s PRO 184 CO -0.05 -0.16 0.09 0.08 -0.33 0.00 0.00 177.00 176.63 3m85 s VAL 185 N -1.29 -0.15 -0.12 3.83 1.01 -0.25 -4.87 120.40 118.55 3m85 s VAL 185 Ca 0.52 0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.80 3m85 s VAL 185 Cb -0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3m85 s VAL 185 CO 0.43 0.16 0.18 -0.44 0.00 0.00 0.00 175.10 175.43 3m85 s SER 186 N 2.11 6.41 -0.22 3.32 0.01 -1.26 -2.08 113.70 121.99 3m85 s SER 186 Ca 0.03 0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.79 3m85 s SER 186 Cb -0.12 -2.10 0.04 0.00 0.21 0.00 0.00 66.02 64.05 3m85 s SER 186 CO -0.04 0.33 -0.14 -0.69 0.41 0.00 0.00 173.24 173.11 3m85 s VAL 187 N -0.64 2.00 -0.16 3.43 1.01 -0.39 -4.77 120.40 120.86 3m85 s VAL 187 Ca 0.15 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.76 3m85 s VAL 187 Cb -0.12 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3m85 s VAL 187 CO 0.04 0.22 0.30 -0.89 0.00 0.00 0.00 175.10 174.78 3m85 s THR 188 N 1.24 5.30 0.06 3.92 2.01 -1.26 -1.51 115.64 125.40 3m85 s THR 188 Ca -0.02 0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.64 3m85 s THR 188 Cb -0.17 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 3m85 s THR 188 CO -0.09 0.37 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.52 3m85 s SER 189 N 0.55 3.03 -0.19 3.53 0.01 0.14 -0.54 113.70 120.22 3m85 s SER 189 Ca 0.17 -0.61 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 3m85 s SER 189 Cb -0.13 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3m85 s SER 189 CO 0.04 0.22 0.13 -0.22 0.41 0.00 0.00 173.24 173.82 3m85 s LEU 190 N -1.40 4.21 -0.10 2.44 1.98 -0.44 -0.13 118.68 125.24 3m85 s LEU 190 Ca 0.11 0.24 0.01 0.00 -2.89 0.00 0.00 54.13 51.60 3m85 s LEU 190 Cb -0.10 -2.08 -0.02 0.00 0.66 0.00 0.00 46.19 44.65 3m85 s LEU 190 CO 0.03 0.20 -0.12 -0.63 -1.89 0.00 0.00 176.35 173.94 3m85 s ILE 191 N 0.25 3.23 -0.25 6.68 1.09 0.16 -0.24 121.20 132.12 3m85 s ILE 191 Ca 0.08 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 58.97 3m85 s ILE 191 Cb -0.11 -2.33 0.14 0.00 -1.06 0.00 0.00 42.46 39.09 3m85 s ILE 191 CO -0.01 0.55 0.46 0.54 -0.10 0.00 0.00 174.94 176.37 3m85 s VAL 192 N -0.07 -0.73 0.00 2.92 0.11 -0.71 -4.72 120.40 117.20 3m85 s VAL 192 Ca -0.02 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 3m85 s VAL 192 Cb -0.14 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3m85 s VAL 192 CO 0.04 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3m85 n GLY 193 N 5.39 1.14 0.11 6.54 0.00 -1.26 -2.82 105.19 114.29 3m85 n GLY 193 Ca -0.05 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.36 3m85 n GLY 193 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m85 n ASN 194 N 3.40 0.49 -4.75 1.61 5.03 -1.26 -4.90 115.26 114.87 3m85 n ASN 194 Ca 0.00 -0.49 -0.36 0.00 0.87 0.00 0.00 54.58 54.59 3m85 n ASN 194 Cb 0.00 -0.06 -0.07 0.00 -1.02 0.00 0.00 39.78 38.63 3m85 n ASN 194 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3m85 s LYS 195 N -2.56 4.13 0.57 3.52 1.02 -1.13 -4.85 119.74 120.45 3m85 s LYS 195 Ca 0.26 0.05 -0.03 0.00 0.02 0.00 0.00 55.97 56.27 3m85 s LYS 195 Cb 0.20 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 3m85 s LYS 195 CO 0.50 0.35 0.84 1.52 -0.92 0.00 0.00 175.35 177.64 3m85 s TYR 196 N 0.15 3.09 -0.03 3.18 -0.00 -1.26 -1.74 117.35 120.75 3m85 s TYR 196 Ca 0.16 0.36 -0.00 0.00 -0.00 0.00 0.00 57.07 57.58 3m85 s TYR 196 Cb -0.13 -2.73 0.03 0.00 -0.00 0.00 0.00 41.96 39.13 3m85 s TYR 196 CO 0.04 -0.84 0.05 -0.51 -0.00 0.00 0.00 175.55 174.28 3m85 s LEU 197 N -4.89 1.10 0.00 -3.49 1.02 0.67 -4.93 118.68 108.15 3m85 s LEU 197 Ca 0.55 0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.77 3m85 s LEU 197 Cb -0.10 0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.11 3m85 s LEU 197 CO 0.42 -0.12 0.00 1.33 0.02 0.00 0.00 176.35 178.00 3m85 n VAL 198 N 4.09 0.00 -2.33 -1.59 0.24 -0.85 -1.33 118.33 116.56 3m85 n VAL 198 Ca -0.26 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.00 3m85 n VAL 198 Cb 0.51 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.90 3m85 n VAL 198 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3m85 n ASP 199 N 4.24 -4.58 -4.75 -1.34 4.64 0.29 -4.59 116.55 110.46 3m85 n ASP 199 Ca 0.00 -0.21 -0.34 0.00 -1.38 0.00 0.00 54.79 52.86 3m85 n ASP 199 Cb 0.00 -2.98 0.05 0.00 -1.04 0.00 0.00 41.12 37.15 3m85 n ASP 199 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3m85 s PRO 200 N -3.38 2.67 0.20 -0.67 0.04 -1.26 -4.84 135.00 127.77 3m85 s PRO 200 Ca 0.12 1.58 0.08 0.00 0.04 0.00 0.00 61.00 62.82 3m85 s PRO 200 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3m85 s PRO 200 CO 0.37 -1.38 0.01 -1.54 0.04 0.00 0.00 177.00 174.50 3m85 s SER 201 N -2.21 4.78 0.34 6.66 1.04 -1.26 -3.86 113.70 119.18 3m85 s SER 201 Ca 0.71 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.78 3m85 s SER 201 Cb -0.25 -1.01 0.78 0.00 0.10 0.00 0.00 66.02 65.65 3m85 s SER 201 CO 0.40 0.06 1.84 -0.09 0.98 0.00 0.00 173.24 176.43 3m85 h ARG 202 N 2.41 0.71 -0.33 4.02 2.43 0.85 0.40 114.38 124.88 3m85 h ARG 202 Ca -0.46 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.57 3m85 h ARG 202 Cb 1.22 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 3m85 h ARG 202 CO 0.59 0.47 -0.19 0.93 -1.51 0.00 0.00 179.97 180.26 3m85 h GLU 203 N 0.74 0.61 -0.25 0.20 5.08 -1.96 -2.49 114.58 116.50 3m85 h GLU 203 Ca 0.49 -0.22 -0.19 0.00 -1.00 0.00 0.00 59.36 58.44 3m85 h GLU 203 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3m85 h GLU 203 CO -0.25 0.77 -0.59 0.93 -1.00 0.00 0.00 179.01 178.86 3m85 h GLU 204 N 0.54 0.82 0.00 2.33 5.08 -0.81 -2.59 114.58 119.96 3m85 h GLU 204 Ca 0.09 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3m85 h GLU 204 Cb 0.64 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3m85 h GLU 204 CO 0.04 1.18 0.38 0.52 -1.00 0.00 0.00 179.01 180.13 3m85 h MET 205 N 0.62 0.00 0.00 2.33 2.86 -0.01 -0.79 114.93 119.94 3m85 h MET 205 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3m85 h MET 205 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 3m85 h MET 205 CO 0.13 0.00 -0.03 0.66 1.06 0.00 0.00 176.91 178.73 3m85 h SER 206 N 0.00 0.00 -0.38 1.22 4.64 -1.39 -1.88 113.55 115.77 3m85 h SER 206 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3m85 h SER 206 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3m85 h SER 206 CO 0.00 0.03 -0.04 0.58 -0.87 0.00 0.00 176.83 176.53 3m85 h VAL 207 N 0.00 1.27 0.00 0.95 2.07 -1.37 -3.44 116.25 115.73 3m85 h VAL 207 Ca -0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3m85 h VAL 207 Cb 0.16 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3m85 h VAL 207 CO 0.00 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.56 3m85 n GLY 208 N -0.28 3.11 2.09 2.17 0.00 -0.71 -4.99 105.19 106.59 3m85 n GLY 208 Ca -0.01 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 3m85 n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m85 n ASP 209 N 0.00 6.00 -4.26 1.61 4.64 -1.26 -4.78 116.55 118.50 3m85 n ASP 209 Ca 0.00 -2.55 -0.44 0.00 -1.38 0.00 0.00 54.79 50.43 3m85 n ASP 209 Cb 0.00 -1.43 -0.06 0.00 -1.04 0.00 0.00 41.12 38.59 3m85 n ASP 209 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3m85 s THR 210 N 0.99 4.86 0.24 5.18 -4.23 -1.26 -3.98 115.64 117.44 3m85 s THR 210 Ca 0.67 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3m85 s THR 210 Cb 0.30 -4.10 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 3m85 s THR 210 CO -0.03 -0.90 -0.02 0.42 -0.54 0.00 0.00 174.62 173.56 3m85 s THR 211 N 0.85 1.17 0.13 3.99 -4.23 -0.13 -0.66 115.64 116.76 3m85 s THR 211 Ca 0.10 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.65 3m85 s THR 211 Cb -0.21 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 3m85 s THR 211 CO -0.03 -0.32 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.31 3m85 s LEU 212 N -3.34 2.35 -0.12 4.79 0.20 0.82 -1.69 118.68 121.70 3m85 s LEU 212 Ca 0.28 -0.75 -0.04 0.00 0.69 0.00 0.00 54.13 54.31 3m85 s LEU 212 Cb 0.05 -0.89 0.06 0.00 -0.43 0.00 0.00 46.19 44.99 3m85 s LEU 212 CO 0.09 0.03 0.21 -0.89 -0.29 0.00 0.00 176.35 175.51 3m85 s THR 213 N -1.48 -0.34 -0.09 3.68 2.01 -0.84 0.27 115.64 118.85 3m85 s THR 213 Ca 0.10 0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.41 3m85 s THR 213 Cb -0.08 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.03 3m85 s THR 213 CO 0.05 0.10 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.25 3m85 s ILE 214 N 2.35 1.73 -0.13 1.82 1.01 -0.57 -1.04 121.20 126.38 3m85 s ILE 214 Ca 0.03 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 3m85 s ILE 214 Cb -0.12 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3m85 s ILE 214 CO -0.08 0.49 -0.13 -0.89 0.00 0.00 0.00 174.94 174.33 3m85 s THR 215 N 0.44 3.08 0.22 2.92 2.01 0.18 -1.27 115.64 123.22 3m85 s THR 215 Ca -0.17 -0.65 0.11 0.00 0.31 0.00 0.00 61.69 61.29 3m85 s THR 215 Cb -0.17 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3m85 s THR 215 CO 0.07 0.52 -0.15 0.42 -0.69 0.00 0.00 174.62 174.79 3m85 s THR 216 N 0.35 2.79 0.43 -0.82 -4.23 -0.88 -0.70 115.64 112.57 3m85 s THR 216 Ca -0.11 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 3m85 s THR 216 Cb -0.16 -2.40 0.08 0.00 1.34 0.00 0.00 72.50 71.35 3m85 s THR 216 CO 0.06 -0.22 0.59 -0.90 -0.54 0.00 0.00 174.62 173.61 3m85 n ASP 217 N -0.17 1.20 0.03 3.99 5.75 -0.54 -1.09 116.55 125.71 3m85 n ASP 217 Ca -0.09 -1.92 -0.10 0.00 -0.01 0.00 0.00 54.79 52.67 3m85 n ASP 217 Cb 0.57 -0.34 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 3m85 n ASP 217 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 3m85 h LYS 218 N 0.00 -0.21 0.00 0.11 2.10 -1.90 -1.41 116.57 115.26 3m85 h LYS 218 Ca -0.20 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3m85 h LYS 218 Cb 0.82 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3m85 h LYS 218 CO 0.25 -0.14 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 3m85 n ASP 219 N -5.29 0.00 0.00 7.07 8.00 -1.26 -4.82 116.55 120.26 3m85 n ASP 219 Ca -0.04 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3m85 n ASP 219 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3m85 n ASP 219 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m85 n ASP 220 N -0.64 -1.03 -4.73 -2.24 9.92 -0.53 -5.02 116.55 112.28 3m85 n ASP 220 Ca 0.03 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.96 3m85 n ASP 220 Cb 0.01 -0.30 0.10 0.00 -0.64 0.00 0.00 41.12 40.30 3m85 n ASP 220 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3m85 s ASN 221 N -2.64 4.15 -0.22 -2.24 0.01 -1.26 -4.77 114.94 107.96 3m85 s ASN 221 Ca 0.00 2.13 -0.17 0.00 -0.71 0.00 0.00 52.86 54.10 3m85 s ASN 221 Cb 0.00 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3m85 s ASN 221 CO 0.00 -2.28 0.47 -0.69 -1.51 0.00 0.00 177.10 173.09 3m85 s VAL 222 N -2.42 5.13 -0.72 1.60 1.01 -1.26 -1.47 120.40 122.27 3m85 s VAL 222 Ca 0.68 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.67 3m85 s VAL 222 Cb -0.23 -3.79 -0.20 0.00 0.00 0.00 0.00 36.38 32.15 3m85 s VAL 222 CO 0.50 0.18 0.70 1.33 0.00 0.00 0.00 175.10 177.81 3m85 n VAL 223 N 4.64 0.00 -3.62 2.92 0.24 0.12 -4.95 118.33 117.68 3m85 n VAL 223 Ca -0.06 -0.13 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 3m85 n VAL 223 Cb 0.50 0.89 -0.06 0.00 -1.47 0.00 0.00 33.84 33.71 3m85 n VAL 223 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m85 s ALA 224 N -2.72 -2.04 0.30 2.33 0.00 -1.07 -4.76 121.76 113.80 3m85 s ALA 224 Ca 0.05 1.74 0.04 0.00 0.00 0.00 0.00 51.96 53.79 3m85 s ALA 224 Cb 0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3m85 s ALA 224 CO 0.72 -0.24 0.25 -1.64 0.00 0.00 0.00 175.76 174.85 3m85 s MET 225 N -0.58 1.62 -0.30 0.00 1.00 -1.26 0.47 119.30 120.24 3m85 s MET 225 Ca 0.03 -1.89 -0.09 0.00 0.00 0.00 0.00 55.69 53.74 3m85 s MET 225 Cb -0.02 0.32 0.19 0.00 0.00 0.00 0.00 34.83 35.31 3m85 s MET 225 CO -0.05 -0.59 0.97 -1.14 0.00 0.00 0.00 175.02 174.21 3m85 s GLN 226 N -3.62 0.22 0.77 2.03 2.00 -0.20 -4.99 119.66 115.88 3m85 s GLN 226 Ca 0.39 0.25 -0.11 0.00 -2.00 0.00 0.00 55.36 53.90 3m85 s GLN 226 Cb 0.03 0.12 0.06 0.00 0.80 0.00 0.00 33.01 34.02 3m85 s GLN 226 CO 0.23 -0.38 1.09 0.21 -0.50 0.00 0.00 175.29 175.94 3m85 s LYS 227 N 2.94 2.26 -0.29 1.67 2.20 -1.26 -2.00 119.74 125.25 3m85 s LYS 227 Ca 0.20 1.12 -0.16 0.00 -0.36 0.00 0.00 55.97 56.77 3m85 s LYS 227 Cb -0.05 -1.90 0.15 0.00 -1.51 0.00 0.00 37.83 34.52 3m85 s LYS 227 CO -0.21 -1.63 0.98 0.45 -0.36 0.00 0.00 175.35 174.58 3m85 s SER 228 N -3.44 -0.53 0.00 1.43 0.15 -0.68 -4.94 113.70 105.69 3m85 s SER 228 Ca 0.61 0.81 0.00 0.00 0.70 0.00 0.00 55.95 58.07 3m85 s SER 228 Cb -0.17 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 3m85 s SER 228 CO 0.56 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.49 3m85 n GLY 229 N 4.02 1.35 3.20 9.45 0.00 -1.26 -0.96 105.19 121.00 3m85 n GLY 229 Ca -0.16 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.19 3m85 n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m85 n GLY 230 N -0.64 4.59 3.30 -0.02 0.00 -1.26 -4.97 105.19 106.19 3m85 n GLY 230 Ca 0.00 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.30 3m85 n GLY 230 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m85 s TYR 231 N -1.89 -0.00 -0.28 1.61 -0.85 -1.26 -5.03 117.35 109.64 3m85 s TYR 231 Ca 0.31 -0.36 -0.13 0.00 -0.52 0.00 0.00 57.07 56.37 3m85 s TYR 231 Cb -0.04 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 3m85 s TYR 231 CO -0.01 -0.67 0.26 -0.51 -1.52 0.00 0.00 175.55 173.11 3m85 s LEU 232 N -2.85 4.08 -0.51 -3.49 1.43 -1.26 -5.06 118.68 111.03 3m85 s LEU 232 Ca 0.06 0.05 -0.25 0.00 -1.03 0.00 0.00 54.13 52.96 3m85 s LEU 232 Cb 0.03 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 44.04 3m85 s LEU 232 CO -0.09 -0.12 0.95 -0.22 0.23 0.00 0.00 176.35 177.09 3m85 s LEU 233 N 1.88 4.00 0.14 1.79 0.20 -1.26 -5.02 118.68 120.41 3m85 s LEU 233 Ca 0.10 -0.08 -0.31 0.00 0.69 0.00 0.00 54.13 54.52 3m85 s LEU 233 Cb -0.16 -3.04 -0.10 0.00 -0.43 0.00 0.00 46.19 42.46 3m85 s LEU 233 CO 0.11 -1.16 1.62 -0.62 -0.29 0.00 0.00 176.35 176.00 3m85 s ASP 234 N 2.56 6.57 0.49 3.68 -1.08 -1.26 -4.89 116.67 122.74 3m85 s ASP 234 Ca 0.35 2.60 0.17 0.00 -0.52 0.00 0.00 52.55 55.15 3m85 s ASP 234 Cb -0.11 -2.58 1.18 0.00 -1.46 0.00 0.00 42.92 39.95 3m85 s ASP 234 CO 0.23 -0.86 2.08 -0.08 0.52 0.00 0.00 175.17 177.06 3m85 h GLU 235 N 7.34 0.00 -0.07 4.34 4.81 -2.00 -1.96 114.58 127.05 3m85 h GLU 235 Ca -0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3m85 h GLU 235 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3m85 h GLU 235 CO 0.92 0.10 0.03 0.87 -0.73 0.00 0.00 179.01 180.20 3m85 h LYS 236 N 0.00 0.10 0.26 1.92 1.79 -2.00 -2.27 116.57 116.37 3m85 h LYS 236 Ca -0.00 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3m85 h LYS 236 Cb 0.17 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3m85 h LYS 236 CO 0.01 0.24 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.08 3m85 h LEU 237 N -0.05 -1.34 -0.91 2.94 4.07 -1.71 -2.06 115.31 116.26 3m85 h LEU 237 Ca 0.02 0.13 0.24 0.00 0.08 0.00 0.00 57.88 58.36 3m85 h LEU 237 Cb 0.17 0.48 -0.16 0.00 1.08 0.00 0.00 40.66 42.23 3m85 h LEU 237 CO -0.00 -0.56 0.11 0.15 -1.08 0.00 0.00 178.44 177.05 3m85 h PHE 238 N -0.80 0.11 0.26 1.13 3.57 -1.26 0.23 116.94 120.19 3m85 h PHE 238 Ca -0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3m85 h PHE 238 Cb 0.76 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3m85 h PHE 238 CO -0.34 -0.33 -0.43 -0.44 -2.23 0.00 0.00 178.31 174.54 3m85 h ASP 239 N 0.09 -1.23 0.11 0.41 5.19 -0.77 0.42 116.42 120.64 3m85 h ASP 239 Ca 0.56 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 57.11 3m85 h ASP 239 Cb 1.13 0.44 -0.05 0.00 0.18 0.00 0.00 39.33 41.03 3m85 h ASP 239 CO -0.78 -0.54 -0.40 -0.08 -3.12 0.00 0.00 179.24 174.32 3m85 h GLU 240 N -0.76 -0.60 0.00 3.56 4.81 -0.92 -2.52 114.58 118.15 3m85 h GLU 240 Ca -0.01 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3m85 h GLU 240 Cb 0.73 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3m85 h GLU 240 CO -0.17 -0.40 0.00 -0.11 -0.73 0.00 0.00 179.01 177.61 3m85 n LEU 241 N -5.45 0.54 0.04 1.64 7.94 0.68 -0.28 117.00 122.11 3m85 n LEU 241 Ca -0.07 0.74 -0.19 0.00 -1.11 0.00 0.00 56.01 55.38 3m85 n LEU 241 Cb 0.37 -0.79 -0.13 0.00 0.53 0.00 0.00 43.42 43.40 3m85 n LEU 241 CO 0.20 -0.89 0.11 0.25 -1.11 0.00 0.00 177.39 175.94 3m85 h LEU 242 N 0.00 0.61 0.63 -1.96 6.46 0.25 -2.36 115.31 118.94 3m85 h LEU 242 Ca 0.00 -0.83 -0.03 0.00 -0.12 0.00 0.00 57.88 56.90 3m85 h LEU 242 Cb 0.04 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 39.78 3m85 h LEU 242 CO 0.00 1.38 -0.30 0.44 -0.62 0.00 0.00 178.44 179.34 3m85 h ASP 243 N -0.08 -0.71 -0.97 1.25 3.32 -0.52 -2.29 116.42 116.42 3m85 h ASP 243 Ca -0.12 -0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.15 3m85 h ASP 243 Cb 1.57 0.18 -0.07 0.00 0.22 0.00 0.00 39.33 41.23 3m85 h ASP 243 CO 0.16 -0.35 0.65 0.58 -1.72 0.00 0.00 179.24 178.56 3m85 h VAL 244 N -1.11 0.59 0.31 -1.35 2.07 -1.07 -0.60 116.25 115.09 3m85 h VAL 244 Ca -0.09 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3m85 h VAL 244 Cb 0.69 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3m85 h VAL 244 CO 0.14 0.06 -0.15 0.28 0.02 0.00 0.00 177.57 177.92 3m85 h SER 245 N 0.31 -0.35 -0.86 0.57 0.02 -1.40 -2.28 113.55 109.56 3m85 h SER 245 Ca 0.51 -0.19 0.18 0.00 -0.84 0.00 0.00 61.79 61.45 3m85 h SER 245 Cb 1.44 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 64.01 3m85 h SER 245 CO -0.18 0.06 0.57 0.40 -1.14 0.00 0.00 176.83 176.54 3m85 h ILE 246 N -0.83 0.74 0.02 3.27 2.04 -0.53 0.35 117.51 122.57 3m85 h ILE 246 Ca -0.04 -0.16 -0.23 0.00 1.00 0.00 0.00 64.86 65.43 3m85 h ILE 246 Cb 0.52 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3m85 h ILE 246 CO 0.07 0.09 -0.98 -1.13 0.00 0.00 0.00 178.15 176.20 3m85 h ASN 247 N 0.48 0.45 0.20 1.72 -1.24 -1.35 -3.06 115.58 112.78 3m85 h ASN 247 Ca 0.44 -0.38 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 3m85 h ASN 247 Cb 0.99 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 39.89 3m85 h ASN 247 CO -0.17 1.20 -0.16 0.00 -1.29 0.00 0.00 177.43 177.00 3m85 n ALA 249 N -2.46 1.93 -0.05 0.00 0.00 -0.63 -2.91 120.51 116.39 3m85 n ALA 249 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 3m85 n ALA 249 Cb 0.24 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.16 3m85 n ALA 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3m85 n ARG 250 N -1.95 0.71 -0.15 0.00 1.74 -0.99 -3.03 116.66 112.98 3m85 n ARG 250 Ca 0.04 0.21 0.15 0.00 -0.77 0.00 0.00 57.85 57.48 3m85 n ARG 250 Cb 0.29 -1.64 0.51 0.00 -1.02 0.00 0.00 32.46 30.60 3m85 n ARG 250 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3m85 h LYS 251 N 0.04 0.40 0.04 5.56 1.57 -1.50 -2.08 116.57 120.59 3m85 h LYS 251 Ca -0.48 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.01 3m85 h LYS 251 Cb 2.00 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 34.24 3m85 h LYS 251 CO 0.02 0.26 -1.10 -0.07 -0.57 0.00 0.00 179.45 177.99 3m85 h LEU 252 N 0.41 0.84 -0.96 2.94 3.38 -1.66 -3.05 115.31 117.21 3m85 h LEU 252 Ca 0.36 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3m85 h LEU 252 Cb 0.81 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3m85 h LEU 252 CO -0.11 1.51 0.00 0.03 0.09 0.00 0.00 178.44 179.96 3m85 h ARG 253 N 0.33 0.00 0.04 1.13 3.08 -1.30 -1.55 114.38 116.11 3m85 h ARG 253 Ca -0.14 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3m85 h ARG 253 Cb 1.76 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.81 3m85 h ARG 253 CO 0.21 0.00 -0.30 1.49 -1.07 0.00 0.00 179.97 180.30 3m85 h GLU 254 N 0.00 0.09 0.00 0.04 4.81 -1.52 -2.70 114.58 115.30 3m85 h GLU 254 Ca 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3m85 h GLU 254 Cb 0.37 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3m85 h GLU 254 CO 0.00 1.07 0.08 1.17 -0.73 0.00 0.00 179.01 180.60 3m85 n LYS 255 N -4.45 0.00 -0.11 1.92 0.00 -0.74 -1.60 118.16 113.18 3m85 n LYS 255 Ca -0.12 0.19 -0.20 0.00 0.00 0.00 0.00 58.31 58.18 3m85 n LYS 255 Cb 0.59 -1.58 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 3m85 n LYS 255 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3m85 n PHE 256 N -1.13 0.10 -3.56 5.64 -0.00 -0.66 -4.88 117.46 112.97 3m85 n PHE 256 Ca 0.00 0.04 -0.41 0.00 -0.00 0.00 0.00 57.45 57.08 3m85 n PHE 256 Cb 0.08 -0.80 -0.10 0.00 -0.00 0.00 0.00 39.48 38.66 3m85 n PHE 256 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 3m85 s LYS 257 N -2.65 2.76 0.00 -4.13 -2.85 -0.63 -5.10 119.74 107.15 3m85 s LYS 257 Ca -0.33 -1.28 0.01 0.00 -1.00 0.00 0.00 55.97 53.36 3m85 s LYS 257 Cb 0.10 -3.83 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 3m85 s LYS 257 CO 0.46 -0.87 0.52 0.39 0.10 0.00 0.00 175.35 175.95