#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m0b s LYS 2 N 0.00 3.72 0.48 2.12 -0.14 -1.26 -0.03 119.74 124.63 3m0b s LYS 2 Ca 0.00 0.89 0.17 0.00 -1.36 0.00 0.00 55.97 55.66 3m0b s LYS 2 Cb 0.00 -2.10 1.15 0.00 -1.68 0.00 0.00 37.83 35.20 3m0b s LYS 2 CO 0.00 -0.46 2.05 0.78 -0.76 0.00 0.00 175.35 176.96 3m0b h GLY 3 N 0.31 0.00 0.94 -3.33 0.00 -0.43 -3.14 103.07 97.42 3m0b h GLY 3 Ca -0.46 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3m0b h GLY 3 CO 0.61 0.00 0.15 0.00 0.00 0.00 0.00 176.54 177.30 3m0b h THR 4 N 0.00 1.19 -0.31 4.70 1.03 -1.69 -0.92 112.91 116.90 3m0b h THR 4 Ca -0.00 -0.57 -0.16 0.00 -0.01 0.00 0.00 66.41 65.67 3m0b h THR 4 Cb 0.23 0.88 -0.00 0.00 -1.07 0.00 0.00 68.15 68.19 3m0b h THR 4 CO 0.02 0.21 -0.42 -0.29 -0.01 0.00 0.00 175.52 175.02 3m0b h ILE 5 N 0.45 1.28 -0.18 0.00 2.10 -1.89 -3.04 117.51 116.23 3m0b h ILE 5 Ca 0.12 -1.60 -0.06 0.00 1.08 0.00 0.00 64.86 64.40 3m0b h ILE 5 Cb 0.18 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 3m0b h ILE 5 CO -0.01 0.52 -0.18 0.58 -1.08 0.00 0.00 178.15 177.98 3m0b h VAL 6 N 0.61 1.21 -0.36 2.19 2.07 -1.47 -1.14 116.25 119.37 3m0b h VAL 6 Ca 0.04 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.62 3m0b h VAL 6 Cb 1.01 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3m0b h VAL 6 CO 0.10 0.30 0.16 1.23 0.02 0.00 0.00 177.57 179.38 3m0b h GLY 7 N 0.88 0.48 1.53 2.17 0.00 -1.09 -1.54 103.07 105.49 3m0b h GLY 7 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3m0b h GLY 7 CO 0.03 0.08 0.24 -0.91 0.00 0.00 0.00 176.54 175.97 3m0b h THR 8 N 0.34 1.15 -0.63 4.70 1.35 -1.19 -2.76 112.91 115.87 3m0b h THR 8 Ca 0.15 -0.39 -0.06 0.00 -0.55 0.00 0.00 66.41 65.57 3m0b h THR 8 Cb 0.08 0.55 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 3m0b h THR 8 CO -0.12 0.16 0.16 -0.50 -0.25 0.00 0.00 175.52 174.97 3m0b h TRP 9 N 0.63 1.06 -0.35 4.73 6.55 -0.28 -0.76 115.95 127.53 3m0b h TRP 9 Ca 0.16 -0.13 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 3m0b h TRP 9 Cb 0.04 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.02 3m0b h TRP 9 CO 0.00 0.88 0.15 0.82 -1.05 0.00 0.00 178.44 179.25 3m0b h ILE 10 N 0.93 1.18 0.09 1.49 1.08 -1.10 0.18 117.51 121.35 3m0b h ILE 10 Ca 0.20 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3m0b h ILE 10 Cb 0.36 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 3m0b h ILE 10 CO 0.00 0.19 -0.05 0.50 -0.69 0.00 0.00 178.15 178.11 3m0b h LYS 11 N 0.42 -0.12 -0.79 2.37 3.64 -1.36 -0.80 116.57 119.93 3m0b h LYS 11 Ca 0.12 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3m0b h LYS 11 Cb 0.16 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3m0b h LYS 11 CO -0.01 -0.08 0.49 1.15 -2.27 0.00 0.00 179.45 178.72 3m0b h THR 12 N -0.13 1.05 -0.46 1.00 2.02 -0.94 -0.32 112.91 115.13 3m0b h THR 12 Ca -0.01 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3m0b h THR 12 Cb 0.10 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3m0b h THR 12 CO 0.01 0.17 0.23 -0.07 0.37 0.00 0.00 175.52 176.22 3m0b h LEU 13 N 0.91 0.61 -0.60 2.58 3.38 -0.42 -1.01 115.31 120.75 3m0b h LEU 13 Ca 0.34 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3m0b h LEU 13 Cb 0.12 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3m0b h LEU 13 CO -0.15 0.56 0.32 0.03 0.09 0.00 0.00 178.44 179.28 3m0b h ARG 14 N 0.61 0.58 -0.51 1.13 3.08 -0.48 0.20 114.38 118.98 3m0b h ARG 14 Ca 0.16 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3m0b h ARG 14 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3m0b h ARG 14 CO -0.02 0.38 0.07 -0.44 -1.07 0.00 0.00 179.97 178.90 3m0b h ASP 15 N 0.60 0.76 0.18 7.04 3.32 -0.61 -0.05 116.42 127.65 3m0b h ASP 15 Ca 0.27 -0.15 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 3m0b h ASP 15 Cb 0.18 -0.20 0.03 0.00 0.22 0.00 0.00 39.33 39.56 3m0b h ASP 15 CO -0.18 0.78 -1.02 -0.07 -1.72 0.00 0.00 179.24 177.03 3m0b h LEU 16 N 0.77 0.58 -0.32 1.55 3.38 -0.89 -3.42 115.31 116.96 3m0b h LEU 16 Ca 0.16 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3m0b h LEU 16 Cb 0.36 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3m0b h LEU 16 CO 0.01 1.49 -0.06 -1.22 0.09 0.00 0.00 178.44 178.75 3m0b n TYR 17 N -4.00 0.00 0.00 1.13 4.02 0.66 -5.10 117.16 113.87 3m0b n TYR 17 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3m0b n TYR 17 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.23 3m0b n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m0b n GLY 18 N 0.77 -0.22 0.20 2.72 0.00 -0.04 -4.44 105.19 104.18 3m0b n GLY 18 Ca 0.01 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3m0b n GLY 18 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3m0b h ASN 19 N 0.00 0.56 -0.15 1.61 -0.26 -1.92 -2.86 115.58 112.56 3m0b h ASN 19 Ca 0.00 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 3m0b h ASN 19 Cb 0.00 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 3m0b h ASN 19 CO 0.00 1.05 0.09 0.44 -1.06 0.00 0.00 177.43 177.95 3m0b h ASP 20 N 0.36 0.15 -0.51 5.81 5.19 -1.98 0.26 116.42 125.70 3m0b h ASP 20 Ca -0.01 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3m0b h ASP 20 Cb 1.18 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3m0b h ASP 20 CO 0.11 0.11 0.29 0.58 -3.12 0.00 0.00 179.24 177.22 3m0b h VAL 21 N 0.19 1.16 -0.09 -1.35 2.07 -1.77 -2.52 116.25 113.95 3m0b h VAL 21 Ca 0.06 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3m0b h VAL 21 Cb -0.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3m0b h VAL 21 CO -0.02 0.17 -0.38 0.58 0.02 0.00 0.00 177.57 177.94 3m0b h VAL 22 N 0.68 1.40 -0.31 2.57 2.07 -1.24 -0.79 116.25 120.63 3m0b h VAL 22 Ca 0.18 -1.75 0.07 0.00 0.82 0.00 0.00 66.70 66.02 3m0b h VAL 22 Cb 0.02 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 3m0b h VAL 22 CO -0.03 0.51 -0.20 0.44 0.02 0.00 0.00 177.57 178.31 3m0b h ASP 23 N -0.05 -0.65 -0.12 0.57 3.32 -0.51 0.16 116.42 119.15 3m0b h ASP 23 Ca -0.02 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 3m0b h ASP 23 Cb 1.03 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3m0b h ASP 23 CO 0.08 -0.23 -0.27 -0.33 -1.72 0.00 0.00 179.24 176.77 3m0b h GLU 24 N -0.16 0.58 -0.36 3.56 4.39 -1.40 -0.73 114.58 120.47 3m0b h GLU 24 Ca 0.16 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3m0b h GLU 24 Cb 0.41 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3m0b h GLU 24 CO -0.41 0.80 0.01 0.77 -1.16 0.00 0.00 179.01 179.02 3m0b h SER 25 N 0.51 0.61 -0.58 1.42 0.02 -0.67 -2.04 113.55 112.83 3m0b h SER 25 Ca 0.07 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3m0b h SER 25 Cb 0.73 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 3m0b h SER 25 CO 0.06 0.76 0.29 -0.07 -1.14 0.00 0.00 176.83 176.73 3m0b h LEU 26 N 0.44 0.74 -1.35 5.07 3.38 -0.77 -2.51 115.31 120.31 3m0b h LEU 26 Ca 0.10 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3m0b h LEU 26 Cb 0.44 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3m0b h LEU 26 CO 0.02 0.65 0.51 0.11 0.09 0.00 0.00 178.44 179.81 3m0b h LYS 27 N 0.78 0.74 0.00 1.13 1.57 -1.02 -2.60 116.57 117.16 3m0b h LYS 27 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3m0b h LYS 27 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3m0b h LYS 27 CO -0.03 0.49 0.00 0.66 -0.57 0.00 0.00 179.45 180.00 3m0b h SER 28 N 0.76 0.00 -0.28 0.86 4.64 -0.90 0.16 113.55 118.80 3m0b h SER 28 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3m0b h SER 28 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3m0b h SER 28 CO -0.13 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.16 3m0b n VAL 29 N -2.35 1.30 -0.16 0.95 0.24 -1.00 -4.98 118.33 112.33 3m0b n VAL 29 Ca -0.00 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 3m0b n VAL 29 Cb 0.11 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3m0b n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m0b n GLY 30 N 0.11 0.59 3.85 7.63 0.00 0.05 -5.07 105.19 112.35 3m0b n GLY 30 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 3m0b n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m0b s TRP 31 N -2.35 3.48 0.49 1.61 0.52 -1.05 -4.99 118.94 116.64 3m0b s TRP 31 Ca 0.00 1.36 -0.23 0.00 0.02 0.00 0.00 56.10 57.24 3m0b s TRP 31 Cb 0.00 -2.71 -0.07 0.00 -1.15 0.00 0.00 33.47 29.54 3m0b s TRP 31 CO 0.00 -0.36 1.29 -1.21 0.02 0.00 0.00 176.95 176.69 3m0b s GLU 32 N -4.19 3.52 0.55 4.98 0.41 -1.26 -3.77 118.70 118.94 3m0b s GLU 32 Ca 0.57 2.09 0.28 0.00 -0.41 0.00 0.00 54.97 57.50 3m0b s GLU 32 Cb -0.10 -2.42 1.61 0.00 -1.78 0.00 0.00 34.13 31.43 3m0b s GLU 32 CO 0.35 -0.84 2.16 -1.00 -0.49 0.00 0.00 175.26 175.44 3m0b h PRO 33 N 1.93 0.00 -0.47 0.39 0.13 -1.90 -2.22 132.00 129.86 3m0b h PRO 33 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 3m0b h PRO 33 Cb 1.27 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.28 3m0b h PRO 33 CO 0.59 0.06 0.09 -0.40 -0.23 0.00 0.00 178.00 178.11 3m0b n ASP 34 N -3.79 3.14 -4.72 1.44 5.68 -1.26 -4.44 116.55 112.60 3m0b n ASP 34 Ca -0.02 -3.56 -0.43 0.00 -0.50 0.00 0.00 54.79 50.28 3m0b n ASP 34 Cb 0.16 -0.66 -0.02 0.00 -1.14 0.00 0.00 41.12 39.46 3m0b n ASP 34 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3m0b n ARG 35 N -0.93 2.43 -3.81 0.11 0.63 -0.84 -4.97 116.66 109.27 3m0b n ARG 35 Ca 0.36 0.86 -0.36 0.00 -0.92 0.00 0.00 57.85 57.79 3m0b n ARG 35 Cb 1.14 -2.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.35 3m0b n ARG 35 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3m0b s VAL 36 N -0.24 3.86 -0.08 5.15 1.01 -1.26 -5.08 120.40 123.76 3m0b s VAL 36 Ca 0.63 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 3m0b s VAL 36 Cb -0.55 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3m0b s VAL 36 CO 0.52 0.29 0.57 -0.63 0.00 0.00 0.00 175.10 175.85 3m0b s ILE 37 N 1.53 5.09 0.19 2.22 -1.09 -1.26 -5.07 121.20 122.80 3m0b s ILE 37 Ca 0.05 1.17 0.07 0.00 -2.23 0.00 0.00 60.65 59.71 3m0b s ILE 37 Cb -0.15 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3m0b s ILE 37 CO 0.01 0.32 0.07 0.42 -1.23 0.00 0.00 174.94 174.53 3m0b s THR 38 N 0.50 4.02 0.42 2.92 -4.23 -1.26 -4.62 115.64 113.38 3m0b s THR 38 Ca 0.31 -1.37 0.12 0.00 -1.18 0.00 0.00 61.69 59.56 3m0b s THR 38 Cb -0.17 -3.07 0.31 0.00 1.34 0.00 0.00 72.50 70.92 3m0b s THR 38 CO 0.14 -0.17 1.99 -0.65 -0.54 0.00 0.00 174.62 175.39 3m0b h PRO 39 N 2.36 0.46 -0.00 3.99 0.11 -1.94 -2.47 132.00 134.50 3m0b h PRO 39 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m0b h PRO 39 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3m0b h PRO 39 CO 0.60 0.30 -0.29 1.28 -0.21 0.00 0.00 178.00 179.68 3m0b n LEU 40 N -4.47 0.70 -4.76 2.35 4.77 -1.26 -2.49 117.00 111.85 3m0b n LEU 40 Ca 0.09 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3m0b n LEU 40 Cb 0.30 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3m0b n LEU 40 CO 0.34 0.14 0.80 -1.61 -1.33 0.00 0.00 177.39 175.73 3m0b s GLU 41 N -2.68 2.89 -0.28 3.23 2.02 -0.93 -4.71 118.70 118.23 3m0b s GLU 41 Ca 0.20 1.68 -0.11 0.00 0.02 0.00 0.00 54.97 56.77 3m0b s GLU 41 Cb 0.19 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 3m0b s GLU 41 CO 0.57 -1.24 0.19 -0.51 0.02 0.00 0.00 175.26 174.29 3m0b s ASP 42 N -1.90 6.02 -0.16 -0.19 1.11 -1.26 -0.44 116.67 119.85 3m0b s ASP 42 Ca 0.74 -0.02 -0.06 0.00 0.18 0.00 0.00 52.55 53.40 3m0b s ASP 42 Cb -0.27 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 3m0b s ASP 42 CO 0.35 -0.05 0.02 -0.63 1.18 0.00 0.00 175.17 176.04 3m0b s ILE 43 N 1.76 4.45 -0.03 0.77 -1.09 0.96 -4.96 121.20 123.06 3m0b s ILE 43 Ca 0.07 -0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 3m0b s ILE 43 Cb -0.16 -2.98 -0.06 0.00 -1.58 0.00 0.00 42.46 37.68 3m0b s ILE 43 CO 0.11 0.49 1.68 -0.62 -1.23 0.00 0.00 174.94 175.37 3m0b s ASP 44 N 0.24 6.64 0.51 3.58 -1.08 -1.26 -0.53 116.67 124.76 3m0b s ASP 44 Ca 0.01 2.30 0.20 0.00 -0.52 0.00 0.00 52.55 54.55 3m0b s ASP 44 Cb -0.13 -2.54 1.29 0.00 -1.46 0.00 0.00 42.92 40.09 3m0b s ASP 44 CO 0.01 -0.93 2.04 0.44 0.52 0.00 0.00 175.17 177.25 3m0b h ASP 45 N 9.54 0.07 0.74 -0.34 3.32 -1.97 -0.57 116.42 127.20 3m0b h ASP 45 Ca -0.41 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.50 3m0b h ASP 45 Cb 1.19 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 3m0b h ASP 45 CO 0.95 0.04 -0.67 -0.78 -1.72 0.00 0.00 179.24 177.06 3m0b h ASP 46 N 0.07 0.00 -0.30 6.45 1.82 -1.99 -0.43 116.42 122.04 3m0b h ASP 46 Ca 0.18 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.68 3m0b h ASP 46 Cb 0.62 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 3m0b h ASP 46 CO -0.01 0.67 -0.31 -0.33 -1.61 0.00 0.00 179.24 177.65 3m0b h GLU 47 N 0.00 0.82 -0.37 0.28 5.08 -1.51 -1.43 114.58 117.45 3m0b h GLU 47 Ca -0.01 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3m0b h GLU 47 Cb 1.22 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3m0b h GLU 47 CO 0.09 1.01 0.19 0.28 -1.00 0.00 0.00 179.01 179.58 3m0b h VAL 48 N 0.69 1.16 -0.58 3.13 2.07 -1.17 -0.89 116.25 120.66 3m0b h VAL 48 Ca 0.08 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.25 3m0b h VAL 48 Cb 0.85 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 3m0b h VAL 48 CO 0.07 0.17 0.18 -0.09 0.02 0.00 0.00 177.57 177.92 3m0b h ARG 49 N 0.46 0.33 -0.09 1.57 2.43 -0.86 -1.64 114.38 116.58 3m0b h ARG 49 Ca 0.13 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 3m0b h ARG 49 Cb 0.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3m0b h ARG 49 CO -0.02 0.22 -0.53 0.00 -1.51 0.00 0.00 179.97 178.13 3m0b h ARG 50 N 0.34 0.26 0.03 0.20 3.08 -1.00 -0.69 114.38 116.60 3m0b h ARG 50 Ca 0.29 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3m0b h ARG 50 Cb 0.39 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3m0b h ARG 50 CO -0.33 0.73 -0.01 0.82 -1.07 0.00 0.00 179.97 180.11 3m0b h ILE 51 N 0.20 1.04 -0.49 2.04 2.04 -0.64 -2.03 117.51 119.67 3m0b h ILE 51 Ca 0.00 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 3m0b h ILE 51 Cb 1.01 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3m0b h ILE 51 CO 0.08 0.05 0.16 -0.26 0.00 0.00 0.00 178.15 178.18 3m0b h PHE 52 N -0.12 0.72 -0.76 1.37 -1.00 -1.11 -0.65 116.94 115.39 3m0b h PHE 52 Ca -0.00 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 3m0b h PHE 52 Cb 0.10 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 3m0b h PHE 52 CO -0.05 0.59 0.45 0.00 -1.61 0.00 0.00 178.31 177.69 3m0b h ALA 53 N 1.47 1.37 -0.12 2.45 0.00 -0.98 0.32 119.26 123.77 3m0b h ALA 53 Ca 0.16 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3m0b h ALA 53 Cb 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3m0b h ALA 53 CO -0.01 0.54 -0.71 -0.22 0.00 0.00 0.00 179.25 178.85 3m0b h LYS 54 N 1.04 0.54 -0.69 0.00 1.63 -0.55 -1.16 116.57 117.38 3m0b h LYS 54 Ca 0.27 -0.42 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3m0b h LYS 54 Cb -0.04 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3m0b h LYS 54 CO -0.05 1.05 0.41 0.28 -3.45 0.00 0.00 179.45 177.68 3m0b h VAL 55 N 0.37 1.20 -0.38 2.00 2.07 -0.85 -0.63 116.25 120.04 3m0b h VAL 55 Ca -0.03 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3m0b h VAL 55 Cb 1.30 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3m0b h VAL 55 CO 0.13 0.21 0.21 -1.28 0.02 0.00 0.00 177.57 176.86 3m0b h SER 56 N 0.94 0.32 -0.44 0.57 0.87 -0.70 -1.55 113.55 113.57 3m0b h SER 56 Ca 0.25 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 3m0b h SER 56 Cb -0.01 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3m0b h SER 56 CO -0.04 0.23 0.18 -0.08 -0.53 0.00 0.00 176.83 176.59 3m0b h GLU 57 N 0.42 0.65 0.00 2.24 4.81 -0.79 -0.19 114.58 121.72 3m0b h GLU 57 Ca 0.15 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3m0b h GLU 57 Cb 0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3m0b h GLU 57 CO -0.09 0.59 -0.45 0.87 -0.73 0.00 0.00 179.01 179.20 3m0b h LYS 58 N 0.56 0.00 0.00 1.92 1.57 -0.98 -3.24 116.57 116.39 3m0b h LYS 58 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3m0b h LYS 58 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3m0b h LYS 58 CO -0.01 0.45 -1.80 0.25 -0.57 0.00 0.00 179.45 177.77 3m0b n THR 59 N -3.54 0.12 -1.06 -0.16 -2.24 -0.60 -4.98 114.28 101.83 3m0b n THR 59 Ca -0.00 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 3m0b n THR 59 Cb 0.57 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3m0b n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m0b n GLY 60 N 1.25 0.55 3.85 3.38 0.00 -0.09 -5.04 105.19 109.08 3m0b n GLY 60 Ca -0.03 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3m0b n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m0b s LYS 61 N -1.42 3.29 0.71 1.61 1.02 -1.15 -5.05 119.74 118.76 3m0b s LYS 61 Ca 0.00 -0.36 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 3m0b s LYS 61 Cb 0.00 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3m0b s LYS 61 CO 0.00 0.68 1.07 0.54 -0.92 0.00 0.00 175.35 176.72 3m0b s ASN 62 N -1.69 5.13 0.35 2.83 4.22 -1.26 -4.42 114.94 120.10 3m0b s ASN 62 Ca 0.23 1.69 0.04 0.00 -2.14 0.00 0.00 52.86 52.68 3m0b s ASN 62 Cb -0.12 -2.50 0.69 0.00 1.28 0.00 0.00 41.25 40.59 3m0b s ASN 62 CO 0.14 -1.61 1.98 0.58 -2.04 0.00 0.00 177.10 176.15 3m0b h VAL 63 N -0.80 1.08 -0.37 3.54 2.07 -1.93 -1.20 116.25 118.64 3m0b h VAL 63 Ca -0.44 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 3m0b h VAL 63 Cb 1.22 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3m0b h VAL 63 CO 0.55 0.15 -0.19 0.78 0.02 0.00 0.00 177.57 178.88 3m0b h ASN 64 N 0.82 0.70 -0.48 0.57 2.35 -1.98 -1.55 115.58 116.01 3m0b h ASN 64 Ca 0.29 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3m0b h ASN 64 Cb 0.11 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3m0b h ASN 64 CO -0.08 0.89 0.04 -0.08 -1.65 0.00 0.00 177.43 176.54 3m0b h GLU 65 N 0.62 0.82 -0.24 0.81 4.81 -1.62 -1.53 114.58 118.24 3m0b h GLU 65 Ca 0.09 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 3m0b h GLU 65 Cb 0.67 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3m0b h GLU 65 CO 0.05 0.85 0.12 0.82 -0.73 0.00 0.00 179.01 180.11 3m0b h ILE 66 N 0.68 0.99 -0.71 2.32 1.08 -1.05 -1.22 117.51 119.60 3m0b h ILE 66 Ca 0.14 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3m0b h ILE 66 Cb 0.45 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3m0b h ILE 66 CO 0.02 0.05 0.33 -0.50 -0.69 0.00 0.00 178.15 177.36 3m0b h TRP 67 N 0.25 1.02 -0.32 1.37 4.06 -1.08 0.12 115.95 121.38 3m0b h TRP 67 Ca 0.10 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.99 3m0b h TRP 67 Cb 0.03 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 27.86 3m0b h TRP 67 CO -0.10 0.75 0.13 -0.09 -3.56 0.00 0.00 178.44 175.58 3m0b h ARG 68 N 1.02 0.47 -0.49 0.49 9.65 -1.04 0.39 114.38 124.87 3m0b h ARG 68 Ca 0.25 -0.08 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3m0b h ARG 68 Cb 0.12 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 3m0b h ARG 68 CO -0.03 0.47 -0.11 0.93 2.80 0.00 0.00 179.97 184.03 3m0b h GLU 69 N 0.37 0.90 -0.68 0.20 5.08 -0.74 -2.11 114.58 117.60 3m0b h GLU 69 Ca 0.11 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3m0b h GLU 69 Cb 0.17 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3m0b h GLU 69 CO -0.01 0.96 0.12 0.28 -1.00 0.00 0.00 179.01 179.36 3m0b h VAL 70 N 0.81 1.26 -0.38 3.13 2.07 -0.66 -0.99 116.25 121.49 3m0b h VAL 70 Ca 0.13 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3m0b h VAL 70 Cb 0.63 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3m0b h VAL 70 CO 0.04 0.39 0.23 1.23 0.02 0.00 0.00 177.57 179.48 3m0b h GLY 71 N 1.06 0.54 0.94 2.17 0.00 -0.74 0.21 103.07 107.25 3m0b h GLY 71 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3m0b h GLY 71 CO 0.01 0.22 0.07 3.21 0.00 0.00 0.00 176.54 180.05 3m0b h ARG 72 N 0.49 0.16 0.00 4.80 3.08 -0.84 -3.08 114.38 118.99 3m0b h ARG 72 Ca 0.13 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 3m0b h ARG 72 Cb -0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3m0b h ARG 72 CO -0.03 0.10 -0.52 0.37 -1.07 0.00 0.00 179.97 178.83 3m0b h GLN 73 N 0.16 0.00 0.00 0.04 5.75 -1.01 -3.23 115.11 116.81 3m0b h GLN 73 Ca 0.06 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3m0b h GLN 73 Cb 0.01 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 3m0b h GLN 73 CO -0.04 0.52 -0.01 -0.97 -2.65 0.00 0.00 178.83 175.69 3m0b h ASN 74 N 0.00 0.00 -0.85 -0.69 -1.24 -0.49 -1.78 115.58 110.54 3m0b h ASN 74 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 3m0b h ASN 74 Cb 1.23 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.24 3m0b h ASN 74 CO 0.07 0.01 0.41 0.40 -1.29 0.00 0.00 177.43 177.02 3m0b h ILE 75 N 0.00 1.26 -0.19 2.57 1.08 -1.62 0.10 117.51 120.71 3m0b h ILE 75 Ca -0.00 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3m0b h ILE 75 Cb 0.41 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 3m0b h ILE 75 CO 0.00 0.31 0.12 0.50 -0.69 0.00 0.00 178.15 178.39 3m0b h LYS 76 N 1.20 0.26 -0.25 2.37 3.11 -1.53 0.62 116.57 122.34 3m0b h LYS 76 Ca 0.29 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.14 3m0b h LYS 76 Cb 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 3m0b h LYS 76 CO -0.04 0.21 0.08 1.15 -2.81 0.00 0.00 179.45 178.05 3m0b h THR 77 N 0.23 0.93 -0.72 1.00 2.02 -1.45 -1.48 112.91 113.45 3m0b h THR 77 Ca 0.07 -0.07 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3m0b h THR 77 Cb 0.02 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 3m0b h THR 77 CO -0.01 0.04 0.36 -0.26 0.37 0.00 0.00 175.52 176.01 3m0b h PHE 78 N 0.20 0.64 0.00 3.16 0.04 -0.78 0.14 116.94 120.33 3m0b h PHE 78 Ca 0.11 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 3m0b h PHE 78 Cb 0.08 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 3m0b h PHE 78 CO -0.13 0.22 -0.14 0.66 -0.60 0.00 0.00 178.31 178.33 3m0b h SER 79 N 0.60 0.00 0.12 2.17 4.64 0.11 0.34 113.55 121.53 3m0b h SER 79 Ca 0.36 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.40 3m0b h SER 79 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3m0b h SER 79 CO -0.28 0.14 -1.40 -0.33 -0.87 0.00 0.00 176.83 174.09 3m0b h GLU 80 N 0.00 0.26 0.00 4.77 5.08 -0.46 -3.26 114.58 120.98 3m0b h GLU 80 Ca -0.00 -0.45 -0.25 0.00 -1.00 0.00 0.00 59.36 57.66 3m0b h GLU 80 Cb 0.31 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3m0b h GLU 80 CO 0.02 1.22 -1.34 -1.49 -1.00 0.00 0.00 179.01 176.41 3m0b h TRP 81 N -0.27 0.00 -2.10 4.33 4.06 -0.57 -3.39 115.95 118.01 3m0b h TRP 81 Ca -0.30 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.13 3m0b h TRP 81 Cb 1.79 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 29.54 3m0b h TRP 81 CO 0.13 0.98 -0.99 1.19 -3.56 0.00 0.00 178.44 176.19 3m0b n PHE 82 N -3.18 1.53 0.28 0.49 3.01 0.12 -4.95 117.46 114.74 3m0b n PHE 82 Ca -0.08 -3.87 0.15 0.00 1.01 0.00 0.00 57.45 54.65 3m0b n PHE 82 Cb 0.99 -0.44 0.72 0.00 -0.01 0.00 0.00 39.48 40.73 3m0b n PHE 82 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3m0b h PRO 83 N 3.12 0.00 0.00 -1.08 0.13 -1.65 -2.93 132.00 129.60 3m0b h PRO 83 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3m0b h PRO 83 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3m0b h PRO 83 CO 0.61 0.00 -0.07 0.66 -0.23 0.00 0.00 178.00 178.97 3m0b h SER 84 N 0.00 0.00 0.99 1.44 4.64 -1.91 -0.83 113.55 117.88 3m0b h SER 84 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m0b h SER 84 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3m0b h SER 84 CO 0.00 0.07 0.00 -1.22 -0.87 0.00 0.00 176.83 174.81 3m0b n TYR 85 N -4.13 0.19 -0.93 4.77 4.02 -1.11 -3.74 117.16 116.24 3m0b n TYR 85 Ca -0.03 0.06 0.09 0.00 -0.01 0.00 0.00 57.90 58.01 3m0b n TYR 85 Cb 0.16 -0.60 0.18 0.00 -0.02 0.00 0.00 39.34 39.06 3m0b n TYR 85 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m0b n PHE 86 N -1.66 0.42 0.95 -0.72 3.72 -0.32 -4.58 117.46 115.26 3m0b n PHE 86 Ca 0.06 -0.89 0.13 0.00 -0.05 0.00 0.00 57.45 56.70 3m0b n PHE 86 Cb 0.32 -0.21 0.52 0.00 -0.94 0.00 0.00 39.48 39.17 3m0b n PHE 86 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m0b n ALA 87 N -0.89 2.56 -1.05 4.37 0.00 -1.22 -4.89 120.51 119.39 3m0b n ALA 87 Ca 0.17 -0.14 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3m0b n ALA 87 Cb 0.71 -1.40 0.20 0.00 0.00 0.00 0.00 19.45 18.96 3m0b n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m0b s GLY 88 N -3.08 1.56 -0.02 0.00 0.00 -1.26 -5.00 107.32 99.51 3m0b s GLY 88 Ca 0.13 -0.43 0.17 0.00 0.00 0.00 0.00 44.72 44.59 3m0b s GLY 88 CO 0.57 0.25 0.43 0.54 0.00 0.00 0.00 173.10 174.89 3m0b n ARG 89 N -4.41 0.75 -4.55 2.90 1.74 -1.26 -4.98 116.66 106.85 3m0b n ARG 89 Ca 0.06 -0.12 -0.22 0.00 -0.77 0.00 0.00 57.85 56.79 3m0b n ARG 89 Cb 0.57 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 30.49 3m0b n ARG 89 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3m0b s ARG 90 N -3.02 1.23 0.22 5.56 0.52 -1.26 -5.02 118.95 117.18 3m0b s ARG 90 Ca -0.04 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 3m0b s ARG 90 Cb 0.11 -1.12 0.34 0.00 0.52 0.00 0.00 34.95 34.80 3m0b s ARG 90 CO 0.68 0.18 1.73 1.25 0.02 0.00 0.00 175.30 179.16 3m0b h LEU 91 N 6.27 0.19 -0.76 2.53 5.85 -1.93 -2.30 115.31 125.17 3m0b h LEU 91 Ca -0.33 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.57 3m0b h LEU 91 Cb 1.17 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.22 3m0b h LEU 91 CO 0.48 0.10 0.41 1.62 -0.34 0.00 0.00 178.44 180.72 3m0b h VAL 92 N 0.39 0.90 -0.17 1.05 3.04 -2.00 -0.43 116.25 119.03 3m0b h VAL 92 Ca 0.34 -0.24 -0.19 0.00 -1.01 0.00 0.00 66.70 65.60 3m0b h VAL 92 Cb 0.48 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 3m0b h VAL 92 CO -0.36 0.13 -0.67 0.78 -1.01 0.00 0.00 177.57 176.44 3m0b h ASN 93 N 0.71 0.76 -0.21 3.17 2.35 -1.91 -1.72 115.58 118.73 3m0b h ASN 93 Ca 0.36 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3m0b h ASN 93 Cb 0.33 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.42 3m0b h ASN 93 CO -0.24 1.23 -0.24 0.15 -1.65 0.00 0.00 177.43 176.68 3m0b h PHE 94 N 0.47 -0.63 -0.70 1.19 3.57 -0.88 -2.11 116.94 117.86 3m0b h PHE 94 Ca -0.02 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3m0b h PHE 94 Cb 1.27 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 3m0b h PHE 94 CO 0.06 -0.32 0.33 -0.07 -2.23 0.00 0.00 178.31 176.09 3m0b h LEU 95 N -0.26 0.93 -1.98 0.59 3.38 -0.94 -2.69 115.31 114.33 3m0b h LEU 95 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3m0b h LEU 95 Cb 0.45 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3m0b h LEU 95 CO -0.36 0.81 -0.11 0.24 0.09 0.00 0.00 178.44 179.11 3m0b h MET 96 N 0.98 0.00 -0.16 1.13 2.86 -1.09 -2.50 114.93 116.15 3m0b h MET 96 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3m0b h MET 96 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3m0b h MET 96 CO -0.03 0.11 0.00 0.00 1.06 0.00 0.00 176.91 178.05 3m0b n MET 97 N -3.83 2.17 -0.19 1.72 0.00 -0.81 -4.49 117.12 111.69 3m0b n MET 97 Ca -0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 57.70 55.86 3m0b n MET 97 Cb 0.20 -1.47 0.01 0.00 0.00 0.00 0.00 33.22 31.97 3m0b n MET 97 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 3m0b h MET 98 N 3.81 0.94 -0.64 3.17 2.07 -1.31 -0.95 114.93 122.01 3m0b h MET 98 Ca 0.00 -0.28 0.04 0.00 -2.07 0.00 0.00 59.70 57.38 3m0b h MET 98 Cb 0.82 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 30.41 3m0b h MET 98 CO 0.00 0.93 0.38 0.22 1.07 0.00 0.00 176.91 179.52 3m0b h ASP 99 N 0.82 0.61 -0.32 1.22 1.82 -1.79 -0.51 116.42 118.28 3m0b h ASP 99 Ca 0.16 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 3m0b h ASP 99 Cb 0.49 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 3m0b h ASP 99 CO 0.02 0.41 0.14 -0.08 -1.61 0.00 0.00 179.24 178.13 3m0b h GLU 100 N 0.74 0.46 -0.64 0.28 4.81 -1.78 -0.38 114.58 118.07 3m0b h GLU 100 Ca 0.27 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3m0b h GLU 100 Cb 0.07 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3m0b h GLU 100 CO -0.13 0.45 0.30 0.28 -0.73 0.00 0.00 179.01 179.18 3m0b h VAL 101 N 0.37 0.86 -0.23 0.32 2.07 -0.67 -0.15 116.25 118.82 3m0b h VAL 101 Ca 0.11 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 3m0b h VAL 101 Cb 0.14 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3m0b h VAL 101 CO -0.01 0.10 -0.54 0.45 0.02 0.00 0.00 177.57 177.59 3m0b h HIS 102 N 0.54 0.85 -0.92 1.57 3.86 -0.90 -1.44 115.15 118.71 3m0b h HIS 102 Ca 0.31 -0.30 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3m0b h HIS 102 Cb 0.30 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 3m0b h HIS 102 CO -0.12 1.07 0.60 -0.07 0.86 0.00 0.00 177.93 180.27 3m0b h LEU 103 N 0.53 0.97 -0.64 2.43 3.38 -0.52 -1.85 115.31 119.61 3m0b h LEU 103 Ca 0.01 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3m0b h LEU 103 Cb 1.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3m0b h LEU 103 CO 0.11 0.65 -0.47 1.56 0.09 0.00 0.00 178.44 180.38 3m0b h GLN 104 N 1.11 0.52 -0.89 1.13 4.20 -0.78 -2.59 115.11 117.81 3m0b h GLN 104 Ca 0.37 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3m0b h GLN 104 Cb 0.08 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 3m0b h GLN 104 CO -0.12 0.88 0.48 -0.07 -0.67 0.00 0.00 178.83 179.32 3m0b h LEU 105 N 0.42 1.12 -0.12 1.46 4.07 -0.82 -0.55 115.31 120.89 3m0b h LEU 105 Ca 0.02 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.89 3m0b h LEU 105 Cb 0.98 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3m0b h LEU 105 CO 0.09 0.91 0.04 0.74 -1.08 0.00 0.00 178.44 179.13 3m0b h THR 106 N 1.25 0.98 0.00 0.22 2.02 -1.06 0.30 112.91 116.61 3m0b h THR 106 Ca 0.31 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 3m0b h THR 106 Cb 0.04 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3m0b h THR 106 CO -0.05 0.02 -0.36 0.11 0.37 0.00 0.00 175.52 175.61 3m0b h LYS 107 N 0.10 0.00 0.00 6.66 6.56 -1.20 -3.24 116.57 125.45 3m0b h LYS 107 Ca 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3m0b h LYS 107 Cb 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 3m0b h LYS 107 CO -0.05 0.36 -0.98 0.00 -2.06 0.00 0.00 179.45 176.72 3m0b n MET 108 N -3.90 0.24 -3.93 3.15 3.85 -0.24 -4.84 117.12 111.46 3m0b n MET 108 Ca -0.01 -0.00 -0.30 0.00 -1.00 0.00 0.00 57.70 56.38 3m0b n MET 108 Cb 0.42 -1.47 -0.16 0.00 -1.05 0.00 0.00 33.22 30.97 3m0b n MET 108 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3m0b s ILE 109 N -2.94 1.46 -0.15 3.17 1.01 0.10 -5.05 121.20 118.81 3m0b s ILE 109 Ca 0.08 -1.15 -0.35 0.00 0.00 0.00 0.00 60.65 59.22 3m0b s ILE 109 Cb 0.15 -1.73 -0.12 0.00 0.01 0.00 0.00 42.46 40.77 3m0b s ILE 109 CO 0.84 -0.09 1.88 2.29 0.00 0.00 0.00 174.94 179.86 3m0b n LYS 110 N 4.70 1.88 -0.50 2.79 -0.00 -1.26 -1.75 118.16 124.03 3m0b n LYS 110 Ca -0.12 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 3m0b n LYS 110 Cb 0.44 -2.53 0.00 0.00 -0.00 0.00 0.00 35.03 32.95 3m0b n LYS 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3m0b n GLY 111 N 4.52 1.06 3.74 2.58 0.00 -1.26 -5.03 105.19 110.80 3m0b n GLY 111 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3m0b n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m0b s ALA 112 N -3.14 3.63 -0.44 4.61 0.00 -0.72 -4.88 121.76 120.82 3m0b s ALA 112 Ca 0.00 1.29 0.09 0.00 0.00 0.00 0.00 51.96 53.34 3m0b s ALA 112 Cb 0.00 -3.55 0.32 0.00 0.00 0.00 0.00 23.12 19.89 3m0b s ALA 112 CO 0.00 -0.71 0.74 0.25 0.00 0.00 0.00 175.76 176.04 3m0b n THR 113 N 2.66 0.65 -1.24 0.00 -2.24 -1.26 -4.68 114.28 108.17 3m0b n THR 113 Ca 0.08 -4.74 -0.30 0.00 -2.27 0.00 0.00 64.05 56.81 3m0b n THR 113 Cb 0.40 -1.02 0.12 0.00 -2.10 0.00 0.00 70.33 67.74 3m0b n THR 113 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3m0b s PRO 114 N -2.41 1.58 0.86 -0.78 0.04 -1.26 -4.99 135.00 128.04 3m0b s PRO 114 Ca 0.41 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 3m0b s PRO 114 Cb 0.28 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 33.09 3m0b s PRO 114 CO -0.09 -2.04 1.12 -1.25 0.04 0.00 0.00 177.00 174.78 3m0b s PRO 115 N -4.94 1.59 0.35 0.56 0.04 -1.26 -5.01 135.00 126.33 3m0b s PRO 115 Ca 0.63 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 3m0b s PRO 115 Cb -0.17 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3m0b s PRO 115 CO 0.57 -1.91 0.94 1.03 0.04 0.00 0.00 177.00 177.66 3m0b s ARG 116 N -5.26 4.45 -0.26 4.56 1.81 -0.48 -4.86 118.95 118.91 3m0b s ARG 116 Ca 0.62 1.24 0.23 0.00 -1.72 0.00 0.00 55.73 56.10 3m0b s ARG 116 Cb -0.14 -2.60 0.51 0.00 -0.45 0.00 0.00 34.95 32.26 3m0b s ARG 116 CO 0.53 0.19 1.11 1.28 -0.68 0.00 0.00 175.30 177.73 3m0b n LEU 117 N 0.18 1.55 -4.67 2.53 4.77 -1.25 -1.84 117.00 118.27 3m0b n LEU 117 Ca 0.03 -3.02 -0.45 0.00 -0.03 0.00 0.00 56.01 52.54 3m0b n LEU 117 Cb 0.51 0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 3m0b n LEU 117 CO 0.42 1.04 1.07 -0.38 -1.33 0.00 0.00 177.39 178.20 3m0b n ILE 118 N -0.61 0.64 -3.84 -0.08 5.41 -1.21 -4.14 119.36 115.54 3m0b n ILE 118 Ca 0.07 -0.16 -0.14 0.00 1.00 0.00 0.00 62.75 63.52 3m0b n ILE 118 Cb 0.80 -1.48 -0.15 0.00 -0.71 0.00 0.00 39.64 38.10 3m0b n ILE 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m0b s ALA 119 N 0.24 0.06 0.02 -1.39 0.00 -1.26 -1.44 121.76 117.99 3m0b s ALA 119 Ca 0.72 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3m0b s ALA 119 Cb -0.66 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3m0b s ALA 119 CO 0.46 -0.04 -0.04 -1.59 0.00 0.00 0.00 175.76 174.55 3m0b s LYS 120 N 0.48 0.34 0.26 0.00 -2.85 -0.27 -4.96 119.74 112.74 3m0b s LYS 120 Ca -0.04 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.97 54.01 3m0b s LYS 120 Cb -0.06 0.06 -0.09 0.00 -2.06 0.00 0.00 37.83 35.68 3m0b s LYS 120 CO -0.01 -0.04 1.19 -1.25 0.10 0.00 0.00 175.35 175.34 3m0b s PRO 121 N -1.47 4.52 0.00 1.78 0.04 -1.26 -0.43 135.00 138.17 3m0b s PRO 121 Ca -0.15 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3m0b s PRO 121 Cb -0.10 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3m0b s PRO 121 CO -0.01 0.01 0.00 1.33 0.04 0.00 0.00 177.00 178.37 3m0b n VAL 122 N 1.53 0.00 -3.83 -0.36 0.24 -0.44 -4.86 118.33 110.61 3m0b n VAL 122 Ca 0.01 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.99 3m0b n VAL 122 Cb 0.44 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 3m0b n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3m0b s ALA 123 N -0.93 -1.01 0.57 2.33 0.00 -1.03 -4.97 121.76 116.72 3m0b s ALA 123 Ca 0.00 -0.51 0.26 0.00 0.00 0.00 0.00 51.96 51.71 3m0b s ALA 123 Cb 0.00 0.75 1.65 0.00 0.00 0.00 0.00 23.12 25.52 3m0b s ALA 123 CO 0.00 -1.01 2.19 0.87 0.00 0.00 0.00 175.76 177.81 3m0b h LYS 124 N 2.00 0.00 0.00 0.00 1.57 -2.01 -2.78 116.57 115.34 3m0b h LYS 124 Ca -0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3m0b h LYS 124 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 3m0b h LYS 124 CO 0.32 0.00 -0.30 -0.40 -0.57 0.00 0.00 179.45 178.50 3m0b n ASP 125 N -4.02 1.62 -3.71 0.86 5.75 -1.26 -1.03 116.55 114.75 3m0b n ASP 125 Ca -0.02 -2.95 -0.14 0.00 -0.01 0.00 0.00 54.79 51.67 3m0b n ASP 125 Cb 0.15 -0.39 -0.08 0.00 -1.03 0.00 0.00 41.12 39.76 3m0b n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3m0b s ALA 126 N -2.12 -1.01 0.27 2.12 0.00 -1.05 0.11 121.76 120.08 3m0b s ALA 126 Ca 0.27 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.91 3m0b s ALA 126 Cb 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 3m0b s ALA 126 CO -0.02 -0.28 -0.06 0.96 0.00 0.00 0.00 175.76 176.37 3m0b s ILE 127 N -1.14 1.58 -0.05 0.00 -4.36 -0.63 -1.33 121.20 115.27 3m0b s ILE 127 Ca -0.12 -2.12 0.04 0.00 -0.26 0.00 0.00 60.65 58.19 3m0b s ILE 127 Cb -0.04 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 3m0b s ILE 127 CO 0.05 -0.33 -0.16 -1.61 0.24 0.00 0.00 174.94 173.13 3m0b s GLU 128 N -3.74 2.51 -0.01 0.37 2.02 0.43 -0.29 118.70 119.99 3m0b s GLU 128 Ca 0.29 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3m0b s GLU 128 Cb 0.04 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 3m0b s GLU 128 CO 0.11 0.58 -0.11 1.41 0.02 0.00 0.00 175.26 177.27 3m0b s MET 129 N -0.63 0.90 -0.15 1.61 -2.45 -0.54 -1.11 119.30 116.93 3m0b s MET 129 Ca 0.09 -0.40 0.02 0.00 -1.25 0.00 0.00 55.69 54.15 3m0b s MET 129 Cb -0.11 -0.87 0.02 0.00 1.25 0.00 0.00 34.83 35.12 3m0b s MET 129 CO 0.01 0.24 -0.19 -2.00 1.05 0.00 0.00 175.02 174.12 3m0b s GLU 130 N -0.27 2.80 -0.10 4.11 2.12 -0.52 -0.83 118.70 126.00 3m0b s GLU 130 Ca 0.04 -0.76 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 3m0b s GLU 130 Cb -0.04 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.97 3m0b s GLU 130 CO -0.00 -0.12 0.94 -0.47 -0.54 0.00 0.00 175.26 175.06 3m0b s TYR 131 N 1.11 3.51 -0.09 5.30 5.04 0.62 -3.33 117.35 129.52 3m0b s TYR 131 Ca -0.01 1.50 -0.01 0.00 -2.44 0.00 0.00 57.07 56.11 3m0b s TYR 131 Cb -0.14 -3.11 0.03 0.00 0.35 0.00 0.00 41.96 39.09 3m0b s TYR 131 CO -0.07 -0.18 -0.01 0.08 -1.34 0.00 0.00 175.55 174.03 3m0b s VAL 132 N 1.83 0.51 0.05 3.14 1.01 -0.77 -1.03 120.40 125.14 3m0b s VAL 132 Ca 0.46 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 3m0b s VAL 132 Cb -0.18 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3m0b s VAL 132 CO 0.18 0.24 0.28 -0.55 0.00 0.00 0.00 175.10 175.26 3m0b s SER 133 N 1.91 -0.09 0.31 3.32 0.15 -0.38 -1.39 113.70 117.54 3m0b s SER 133 Ca 0.05 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.70 3m0b s SER 133 Cb -0.13 0.35 0.57 0.00 -1.71 0.00 0.00 66.02 65.11 3m0b s SER 133 CO -0.06 -0.62 1.68 0.11 1.20 0.00 0.00 173.24 175.55 3m0b h LYS 134 N 3.22 0.00 0.00 5.44 1.79 -1.87 0.26 116.57 125.41 3m0b h LYS 134 Ca -0.32 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.81 3m0b h LYS 134 Cb 1.20 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.91 3m0b h LYS 134 CO 0.47 0.00 0.08 0.54 -1.08 0.00 0.00 179.45 179.46 3m0b n ARG 135 N -2.64 0.11 -3.42 3.15 1.74 -1.26 -4.80 116.66 109.55 3m0b n ARG 135 Ca 0.05 -2.01 -0.27 0.00 -0.77 0.00 0.00 57.85 54.85 3m0b n ARG 135 Cb 0.48 -0.47 -0.11 0.00 -1.02 0.00 0.00 32.46 31.34 3m0b n ARG 135 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3m0b s LYS 136 N -4.36 0.67 -0.52 5.56 2.20 -1.26 -4.34 119.74 117.70 3m0b s LYS 136 Ca 0.48 -1.54 0.07 0.00 -0.36 0.00 0.00 55.97 54.62 3m0b s LYS 136 Cb -0.03 -1.27 0.34 0.00 -1.51 0.00 0.00 37.83 35.36 3m0b s LYS 136 CO 0.32 -1.27 0.88 -1.33 -0.36 0.00 0.00 175.35 173.59 3m0b n MET 137 N 3.65 2.57 0.03 4.03 2.81 -1.26 -4.91 117.12 124.03 3m0b n MET 137 Ca 0.18 -4.43 -0.11 0.00 -1.81 0.00 0.00 57.70 51.52 3m0b n MET 137 Cb 0.42 -2.08 -0.06 0.00 -0.71 0.00 0.00 33.22 30.78 3m0b n MET 137 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 3m0b h TYR 138 N 3.04 -0.02 -0.58 2.03 0.99 -2.00 -1.60 116.97 118.83 3m0b h TYR 138 Ca 0.12 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 3m0b h TYR 138 Cb 0.64 0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.36 3m0b h TYR 138 CO 0.73 -0.02 0.01 -0.44 -0.00 0.00 0.00 178.16 178.44 3m0b h ASP 139 N -0.00 0.98 -0.20 3.88 3.32 -1.91 -1.80 116.42 120.69 3m0b h ASP 139 Ca 0.02 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3m0b h ASP 139 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3m0b h ASP 139 CO -0.04 1.03 0.10 0.22 -1.72 0.00 0.00 179.24 178.84 3m0b h TYR 140 N 0.92 0.19 -0.26 4.55 3.20 -1.65 0.20 116.97 124.13 3m0b h TYR 140 Ca 0.17 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3m0b h TYR 140 Cb 0.53 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 3m0b h TYR 140 CO 0.03 0.11 -0.14 0.35 -1.64 0.00 0.00 178.16 176.88 3m0b h PHE 141 N 0.22 -0.34 -0.66 -3.82 3.57 -1.10 -0.61 116.94 114.20 3m0b h PHE 141 Ca 0.08 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3m0b h PHE 141 Cb 0.01 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3m0b h PHE 141 CO -0.09 -0.21 0.27 -0.07 -2.23 0.00 0.00 178.31 175.98 3m0b h LEU 142 N -0.11 0.91 -0.89 0.59 3.38 -1.12 -2.60 115.31 115.47 3m0b h LEU 142 Ca 0.14 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3m0b h LEU 142 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3m0b h LEU 142 CO -0.33 0.83 0.13 1.23 0.09 0.00 0.00 178.44 180.39 3m0b h GLY 143 N 0.93 1.02 1.00 0.83 0.00 -0.50 -1.68 103.07 104.67 3m0b h GLY 143 Ca 0.22 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3m0b h GLY 143 CO -0.02 0.58 0.37 1.41 0.00 0.00 0.00 176.54 178.89 3m0b h LEU 144 N 0.91 0.76 -0.31 3.11 3.38 -0.86 0.30 115.31 122.61 3m0b h LEU 144 Ca 0.19 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m0b h LEU 144 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3m0b h LEU 144 CO 0.00 0.61 0.18 0.40 0.09 0.00 0.00 178.44 179.72 3m0b h ILE 145 N 0.86 1.12 -0.76 1.22 2.04 -1.12 -0.13 117.51 120.74 3m0b h ILE 145 Ca 0.23 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3m0b h ILE 145 Cb -0.01 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3m0b h ILE 145 CO -0.04 0.12 0.45 -0.33 0.00 0.00 0.00 178.15 178.35 3m0b h GLU 146 N 0.39 1.03 -0.45 2.37 5.08 -0.95 -1.73 114.58 120.32 3m0b h GLU 146 Ca 0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3m0b h GLU 146 Cb 0.04 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3m0b h GLU 146 CO -0.02 0.73 0.25 0.78 -1.00 0.00 0.00 179.01 179.76 3m0b h GLY 147 N 1.03 0.65 1.16 -3.84 0.00 -0.08 -2.06 103.07 99.93 3m0b h GLY 147 Ca 0.27 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 3m0b h GLY 147 CO -0.05 0.26 -0.30 1.76 0.00 0.00 0.00 176.54 178.21 3m0b h SER 148 N 0.62 0.98 -0.80 0.19 0.02 -0.29 -0.75 113.55 113.52 3m0b h SER 148 Ca 0.16 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 3m0b h SER 148 Cb 0.01 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.22 3m0b h SER 148 CO -0.03 1.20 0.50 -1.28 -1.14 0.00 0.00 176.83 176.08 3m0b h SER 149 N 0.79 0.81 -0.24 3.07 0.87 -0.80 -1.07 113.55 116.98 3m0b h SER 149 Ca 0.09 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3m0b h SER 149 Cb 0.88 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 3m0b h SER 149 CO 0.08 0.55 -0.12 0.50 -0.53 0.00 0.00 176.83 177.31 3m0b h LYS 150 N 0.96 0.51 -0.48 2.24 3.64 -0.99 -0.71 116.57 121.74 3m0b h LYS 150 Ca 0.33 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3m0b h LYS 150 Cb 0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3m0b h LYS 150 CO -0.13 0.77 0.27 0.35 -2.27 0.00 0.00 179.45 178.44 3m0b h PHE 151 N 0.23 0.65 0.00 1.91 3.57 -0.91 -2.17 116.94 120.22 3m0b h PHE 151 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3m0b h PHE 151 Cb 0.62 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3m0b h PHE 151 CO 0.06 0.48 0.00 1.19 -2.23 0.00 0.00 178.31 177.81 3m0b n PHE 152 N -4.68 0.00 -3.66 0.41 3.01 -0.42 -4.92 117.46 107.20 3m0b n PHE 152 Ca 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.25 3m0b n PHE 152 Cb 0.07 -0.36 0.06 0.00 -0.01 0.00 0.00 39.48 39.24 3m0b n PHE 152 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3m0b n LYS 153 N -1.36 -6.33 -4.22 -1.08 5.02 -0.37 -4.92 118.16 104.91 3m0b n LYS 153 Ca 0.11 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.87 3m0b n LYS 153 Cb 0.26 -5.61 -0.17 0.00 -0.02 0.00 0.00 35.03 29.49 3m0b n LYS 153 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m0b s GLU 154 N -6.07 1.62 0.13 1.97 2.02 -0.64 -5.05 118.70 112.68 3m0b s GLU 154 Ca 0.32 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 3m0b s GLU 154 Cb -0.15 -1.51 -0.07 0.00 0.10 0.00 0.00 34.13 32.51 3m0b s GLU 154 CO 0.77 -0.13 1.10 -1.21 0.02 0.00 0.00 175.26 175.81 3m0b s GLU 155 N 1.21 4.56 0.10 1.61 2.02 -1.26 -4.63 118.70 122.31 3m0b s GLU 155 Ca -0.04 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.63 3m0b s GLU 155 Cb -0.14 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 3m0b s GLU 155 CO -0.03 -0.00 -0.01 0.96 0.02 0.00 0.00 175.26 176.20 3m0b s ILE 156 N 0.21 0.38 -0.16 -1.63 -4.36 -1.26 -1.27 121.20 113.11 3m0b s ILE 156 Ca 0.52 -1.90 0.01 0.00 -0.26 0.00 0.00 60.65 59.02 3m0b s ILE 156 Cb -0.28 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.64 3m0b s ILE 156 CO 0.32 -0.74 -0.18 -0.55 0.24 0.00 0.00 174.94 174.03 3m0b s SER 157 N -3.03 3.35 -0.39 4.36 0.15 0.34 -4.96 113.70 113.53 3m0b s SER 157 Ca 0.15 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 56.13 3m0b s SER 157 Cb 0.07 -1.51 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 3m0b s SER 157 CO -0.03 0.06 0.23 -0.69 1.20 0.00 0.00 173.24 174.00 3m0b s VAL 158 N 0.96 4.64 -0.29 4.45 1.01 -1.26 -1.21 120.40 128.69 3m0b s VAL 158 Ca -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 3m0b s VAL 158 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3m0b s VAL 158 CO -0.04 -0.29 0.19 -0.70 0.00 0.00 0.00 175.10 174.27 3m0b s GLU 159 N 1.56 3.80 -0.09 2.72 2.12 -0.10 -4.95 118.70 123.76 3m0b s GLU 159 Ca 0.02 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 3m0b s GLU 159 Cb -0.20 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 3m0b s GLU 159 CO 0.07 -0.25 1.05 -2.00 -0.54 0.00 0.00 175.26 173.59 3m0b s GLU 160 N 1.74 4.41 -0.18 4.30 2.12 -1.26 -0.14 118.70 129.69 3m0b s GLU 160 Ca 0.07 1.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.85 3m0b s GLU 160 Cb -0.16 -3.54 -0.11 0.00 0.26 0.00 0.00 34.13 30.58 3m0b s GLU 160 CO 0.10 -0.34 -0.17 0.28 -0.54 0.00 0.00 175.26 174.59 3m0b n VAL 161 N 4.55 1.00 -3.88 3.70 0.31 0.32 -4.96 118.33 119.36 3m0b n VAL 161 Ca 0.09 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 3m0b n VAL 161 Cb 0.48 -1.24 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 3m0b n VAL 161 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3m0b s GLU 162 N -2.34 0.29 -0.12 5.55 2.02 -1.10 -4.98 118.70 118.02 3m0b s GLU 162 Ca -0.24 -0.23 -0.10 0.00 0.02 0.00 0.00 54.97 54.43 3m0b s GLU 162 Cb 0.07 0.12 0.04 0.00 0.10 0.00 0.00 34.13 34.45 3m0b s GLU 162 CO 0.38 -0.06 0.31 0.50 0.02 0.00 0.00 175.26 176.41 3m0b s ARG 163 N -0.82 0.34 0.00 1.61 3.52 -1.26 -1.05 118.95 121.30 3m0b s ARG 163 Ca -0.09 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 3m0b s ARG 163 Cb -0.05 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 3m0b s ARG 163 CO 0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3m0b n GLY 164 N 3.25 1.72 3.66 8.12 0.00 -0.76 -5.02 105.19 116.17 3m0b n GLY 164 Ca -0.16 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3m0b n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m0b s GLU 165 N -2.00 3.10 -0.15 1.61 2.02 -1.26 -1.50 118.70 120.52 3m0b s GLU 165 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 3m0b s GLU 165 Cb 0.00 -2.83 0.07 0.00 0.10 0.00 0.00 34.13 31.47 3m0b s GLU 165 CO 0.00 0.64 0.28 0.15 0.02 0.00 0.00 175.26 176.35 3m0b s LYS 166 N -0.70 0.18 -1.37 1.61 -0.14 -0.02 -4.94 119.74 114.36 3m0b s LYS 166 Ca 0.11 0.71 -0.09 0.00 -1.36 0.00 0.00 55.97 55.35 3m0b s LYS 166 Cb -0.12 -0.14 0.02 0.00 -1.68 0.00 0.00 37.83 35.92 3m0b s LYS 166 CO 0.02 -0.34 1.14 -0.25 -0.76 0.00 0.00 175.35 175.16 3m0b n ASP 167 N 5.35 -5.72 0.00 2.83 8.00 -1.26 -1.85 116.55 123.90 3m0b n ASP 167 Ca -0.06 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3m0b n ASP 167 Cb 0.50 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 3m0b n ASP 167 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m0b n GLY 168 N -1.89 1.80 3.55 0.44 0.00 -1.26 -5.04 105.19 102.79 3m0b n GLY 168 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3m0b n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m0b s PHE 169 N -2.33 3.04 0.18 1.61 0.08 -0.77 -4.60 117.98 115.19 3m0b s PHE 169 Ca 0.00 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 3m0b s PHE 169 Cb 0.00 -1.89 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 3m0b s PHE 169 CO 0.00 0.13 0.96 -1.12 -0.10 0.00 0.00 175.22 175.09 3m0b s SER 170 N -0.08 7.56 -0.02 1.36 0.01 0.92 -0.84 113.70 122.61 3m0b s SER 170 Ca 0.02 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.18 3m0b s SER 170 Cb -0.13 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.52 3m0b s SER 170 CO 0.02 0.04 0.01 -0.13 0.41 0.00 0.00 173.24 173.59 3m0b s ARG 171 N -0.64 0.06 -0.11 12.44 0.52 -0.56 -1.25 118.95 129.40 3m0b s ARG 171 Ca 0.44 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.71 3m0b s ARG 171 Cb -0.25 -0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.04 3m0b s ARG 171 CO 0.31 -0.10 0.11 -1.17 0.02 0.00 0.00 175.30 174.47 3m0b s LEU 172 N 0.70 0.12 -0.20 2.53 0.20 -0.20 -1.83 118.68 120.00 3m0b s LEU 172 Ca -0.06 -0.10 -0.08 0.00 0.69 0.00 0.00 54.13 54.58 3m0b s LEU 172 Cb -0.09 -0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.61 3m0b s LEU 172 CO -0.02 -0.29 0.08 -0.75 -0.29 0.00 0.00 176.35 175.08 3m0b s LYS 173 N 2.21 3.94 0.12 1.98 2.20 -0.21 -0.27 119.74 129.70 3m0b s LYS 173 Ca 0.04 -0.35 0.10 0.00 -0.36 0.00 0.00 55.97 55.40 3m0b s LYS 173 Cb -0.14 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 3m0b s LYS 173 CO -0.06 0.16 -0.25 0.14 -0.36 0.00 0.00 175.35 174.98 3m0b s VAL 174 N 0.69 2.40 -0.24 4.02 -7.23 -0.01 -0.52 120.40 119.51 3m0b s VAL 174 Ca 0.04 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 3m0b s VAL 174 Cb -0.13 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 3m0b s VAL 174 CO 0.02 0.11 0.00 -0.60 -0.31 0.00 0.00 175.10 174.32 3m0b s ARG 175 N -2.03 3.30 -0.32 4.82 3.52 0.80 -1.47 118.95 127.58 3m0b s ARG 175 Ca 0.15 -0.69 -0.08 0.00 -0.13 0.00 0.00 55.73 54.98 3m0b s ARG 175 Cb -0.10 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3m0b s ARG 175 CO 0.07 -0.27 0.11 0.42 -0.81 0.00 0.00 175.30 174.82 3m0b s ILE 176 N 1.49 4.08 -0.23 4.11 1.01 0.60 -0.92 121.20 131.34 3m0b s ILE 176 Ca 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 3m0b s ILE 176 Cb -0.15 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 3m0b s ILE 176 CO -0.01 -0.02 0.13 -0.75 0.00 0.00 0.00 174.94 174.29 3m0b s LYS 177 N 1.50 4.00 -0.07 2.79 2.20 -0.35 -1.60 119.74 128.20 3m0b s LYS 177 Ca 0.02 -0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 3m0b s LYS 177 Cb -0.18 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 3m0b s LYS 177 CO 0.03 0.08 0.40 -0.06 -0.36 0.00 0.00 175.35 175.45 3m0b s PHE 178 N 0.96 3.60 0.18 4.03 0.40 0.12 -0.50 117.98 126.76 3m0b s PHE 178 Ca 0.06 0.87 -0.13 0.00 -0.60 0.00 0.00 56.93 57.13 3m0b s PHE 178 Cb -0.13 -2.38 0.15 0.00 0.51 0.00 0.00 43.02 41.16 3m0b s PHE 178 CO 0.03 0.41 1.75 -0.22 0.70 0.00 0.00 175.22 177.90 3m0b h LYS 179 N 5.75 0.34 -5.15 0.44 1.63 -1.50 -3.36 116.57 114.71 3m0b h LYS 179 Ca -0.46 -0.02 -0.62 0.00 -0.85 0.00 0.00 60.65 58.70 3m0b h LYS 179 Cb 1.20 -0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.61 3m0b h LYS 179 CO 0.69 0.22 -0.38 -0.80 -3.45 0.00 0.00 179.45 175.73 3m0b s ASN 180 N -5.39 6.21 0.45 4.20 0.01 -1.26 -5.06 114.94 114.09 3m0b s ASN 180 Ca -0.13 0.23 -0.21 0.00 -0.71 0.00 0.00 52.86 52.04 3m0b s ASN 180 Cb 0.14 -2.16 -0.13 0.00 0.41 0.00 0.00 41.25 39.51 3m0b s ASN 180 CO 0.73 -0.04 0.35 -0.81 -1.51 0.00 0.00 177.10 175.82 3m0b n PRO 181 N 4.68 0.36 0.02 -0.60 -0.04 -1.26 -4.93 135.00 133.22 3m0b n PRO 181 Ca -0.12 0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 3m0b n PRO 181 Cb 0.51 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 3m0b n PRO 181 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3m0b n VAL 182 N -1.11 1.19 -1.18 0.52 0.24 -0.20 -4.96 118.33 112.83 3m0b n VAL 182 Ca 0.11 -0.70 -0.32 0.00 -2.04 0.00 0.00 64.34 61.39 3m0b n VAL 182 Cb 0.42 -0.72 0.11 0.00 -1.47 0.00 0.00 33.84 32.18 3m0b n VAL 182 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 3m0b s PHE 183 N -2.89 2.19 -0.51 6.34 -0.71 -1.07 -4.93 117.98 116.40 3m0b s PHE 183 Ca -0.04 1.64 -0.26 0.00 -1.04 0.00 0.00 56.93 57.24 3m0b s PHE 183 Cb 0.09 -3.23 0.03 0.00 -1.21 0.00 0.00 43.02 38.70 3m0b s PHE 183 CO 0.82 -2.24 0.98 -2.00 -1.34 0.00 0.00 175.22 171.43 3m0b s GLU 184 N -4.55 3.47 0.00 1.99 2.12 -1.26 -5.11 118.70 115.36 3m0b s GLU 184 Ca 0.66 0.05 0.28 0.00 0.36 0.00 0.00 54.97 56.32 3m0b s GLU 184 Cb -0.21 -3.98 1.07 0.00 0.26 0.00 0.00 34.13 31.27 3m0b s GLU 184 CO 0.53 -1.38 1.76 2.48 -0.54 0.00 0.00 175.26 178.11