#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4o n ASP 2 N 0.00 -2.15 -0.22 7.83 2.03 -1.26 -4.85 116.55 117.93 1a4o n ASP 2 Ca 0.00 0.01 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1a4o n ASP 2 Cb 0.00 -1.11 0.36 0.00 -0.72 0.00 0.00 41.12 39.65 1a4o n ASP 2 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1a4o h LYS 3 N 0.04 0.72 -1.23 -0.67 3.64 -1.97 -2.36 116.57 114.73 1a4o h LYS 3 Ca 0.00 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.05 1a4o h LYS 3 Cb 0.36 -0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 31.88 1a4o h LYS 3 CO 0.01 0.48 0.36 0.09 -2.27 0.00 0.00 179.45 178.12 1a4o n ASN 4 N -4.51 4.75 0.00 4.20 4.13 -1.26 -0.77 115.26 121.80 1a4o n ASN 4 Ca 0.13 -2.90 0.00 0.00 1.68 0.00 0.00 54.58 53.49 1a4o n ASN 4 Cb 0.33 -0.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1a4o n ASN 4 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1a4o n GLU 5 N -0.01 0.43 0.12 3.52 2.13 -0.93 -4.41 120.64 121.48 1a4o n GLU 5 Ca 0.29 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.09 1a4o n GLU 5 Cb 0.85 -0.64 0.15 0.00 0.27 0.00 0.00 31.44 32.07 1a4o n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1a4o h LEU 6 N 0.00 0.11 0.04 4.31 4.07 -0.96 -0.37 115.31 122.51 1a4o h LEU 6 Ca 0.00 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 1a4o h LEU 6 Cb 0.28 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.99 1a4o h LEU 6 CO 0.00 0.70 -0.30 0.58 -1.08 0.00 0.00 178.44 178.33 1a4o h VAL 7 N 0.07 1.64 0.00 1.22 2.07 -1.20 -2.18 116.25 117.87 1a4o h VAL 7 Ca -0.01 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1a4o h VAL 7 Cb 1.10 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1a4o h VAL 7 CO 0.09 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.29 1a4o n GLN 8 N -4.44 0.30 -0.05 1.57 3.00 -1.18 -1.24 117.38 115.33 1a4o n GLN 8 Ca -0.11 0.09 -0.21 0.00 -0.01 0.00 0.00 57.00 56.76 1a4o n GLN 8 Cb 0.58 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 29.19 1a4o n GLN 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a4o n LYS 9 N -1.17 0.70 0.25 -1.09 0.00 -0.16 -3.97 118.16 112.72 1a4o n LYS 9 Ca 0.08 0.26 -0.16 0.00 0.00 0.00 0.00 58.31 58.50 1a4o n LYS 9 Cb 0.09 -1.64 -0.08 0.00 0.00 0.00 0.00 35.03 33.39 1a4o n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a4o h ALA 10 N -0.08 -0.65 -0.44 3.14 0.00 -0.50 -1.72 119.26 119.01 1a4o h ALA 10 Ca -0.48 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.40 1a4o h ALA 10 Cb 1.89 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.99 1a4o h ALA 10 CO -0.03 -0.88 0.30 0.87 0.00 0.00 0.00 179.25 179.51 1a4o h LYS 11 N -0.66 0.17 -0.28 0.00 1.57 -1.55 -1.68 116.57 114.15 1a4o h LYS 11 Ca -0.05 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1a4o h LYS 11 Cb 0.54 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1a4o h LYS 11 CO 0.04 0.11 -0.39 1.25 -0.57 0.00 0.00 179.45 179.89 1a4o h LEU 12 N 0.18 0.83 -0.63 2.94 5.85 -1.58 -2.39 115.31 120.51 1a4o h LEU 12 Ca 0.20 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1a4o h LEU 12 Cb 0.58 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1a4o h LEU 12 CO -0.03 1.17 0.20 0.00 -0.34 0.00 0.00 178.44 179.44 1a4o h ALA 13 N 0.68 0.83 -0.69 1.25 0.00 -0.51 -2.25 119.26 118.56 1a4o h ALA 13 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1a4o h ALA 13 Cb 0.99 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1a4o h ALA 13 CO 0.09 0.49 0.41 1.49 0.00 0.00 0.00 179.25 181.74 1a4o h GLU 14 N 0.91 0.76 0.00 0.00 4.81 -1.29 -0.29 114.58 119.48 1a4o h GLU 14 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1a4o h GLU 14 Cb 0.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1a4o h GLU 14 CO -0.01 0.50 0.00 1.96 -0.73 0.00 0.00 179.01 180.74 1a4o h GLN 15 N 0.78 0.00 -0.38 1.92 4.20 -1.07 -2.52 115.11 118.04 1a4o h GLN 15 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1a4o h GLN 15 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1a4o h GLN 15 CO -0.15 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.01 1a4o n ALA 16 N -1.91 3.26 -0.03 3.87 0.00 -0.24 -4.95 120.51 120.51 1a4o n ALA 16 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.34 1a4o n ALA 16 Cb 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1a4o n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 17 N -0.04 0.00 -2.17 0.00 0.00 -0.73 -4.91 120.64 112.79 1a4o n GLU 17 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 57.00 1a4o n GLU 17 Cb 0.98 -3.69 -0.03 0.00 0.00 0.00 0.00 31.44 28.70 1a4o n GLU 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1a4o s ARG 18 N -0.05 2.77 -0.00 5.31 1.81 -0.51 -4.85 118.95 123.43 1a4o s ARG 18 Ca 0.00 0.37 0.17 0.00 -1.72 0.00 0.00 55.73 54.55 1a4o s ARG 18 Cb 0.00 -4.35 -0.18 0.00 -0.45 0.00 0.00 34.95 29.96 1a4o s ARG 18 CO 0.00 -2.60 0.65 0.66 -0.68 0.00 0.00 175.30 173.33 1a4o n TYR 19 N 11.91 0.74 0.03 -0.53 4.01 -1.26 -3.30 117.16 128.76 1a4o n TYR 19 Ca 0.16 0.25 0.02 0.00 -0.16 0.00 0.00 57.90 58.17 1a4o n TYR 19 Cb 0.51 -1.03 0.35 0.00 -0.31 0.00 0.00 39.34 38.86 1a4o n TYR 19 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1a4o h ASP 20 N 0.00 0.42 -0.14 7.72 3.32 -1.91 0.35 116.42 126.18 1a4o h ASP 20 Ca -0.22 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 56.62 1a4o h ASP 20 Cb 1.69 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1a4o h ASP 20 CO 0.04 0.46 -0.42 0.44 -1.72 0.00 0.00 179.24 178.04 1a4o h ASP 21 N 0.44 0.73 0.04 6.45 3.32 -1.98 -2.37 116.42 123.06 1a4o h ASP 21 Ca 0.10 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1a4o h ASP 21 Cb 0.24 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1a4o h ASP 21 CO 0.00 1.05 -0.24 -0.03 -1.72 0.00 0.00 179.24 178.30 1a4o h MET 22 N 0.55 0.34 -0.24 3.56 4.05 -1.10 -0.25 114.93 121.85 1a4o h MET 22 Ca 0.04 -0.12 -0.19 0.00 -0.28 0.00 0.00 59.70 59.16 1a4o h MET 22 Cb 0.96 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1a4o h MET 22 CO 0.09 0.57 -0.59 0.00 0.23 0.00 0.00 176.91 177.21 1a4o h ALA 23 N 1.44 0.49 0.65 0.39 0.00 -0.91 -2.75 119.26 118.57 1a4o h ALA 23 Ca 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1a4o h ALA 23 Cb 0.60 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1a4o h ALA 23 CO 0.04 0.69 -0.31 0.00 0.00 0.00 0.00 179.25 179.67 1a4o h ALA 24 N 0.73 -1.22 -0.97 0.00 0.00 -0.89 0.12 119.26 117.03 1a4o h ALA 24 Ca 0.00 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.94 1a4o h ALA 24 Cb 1.19 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1a4o h ALA 24 CO 0.13 -1.15 0.63 0.00 0.00 0.00 0.00 179.25 178.85 1a4o h MET 26 N 0.50 0.00 -0.17 0.00 2.86 -1.41 -2.39 114.93 114.31 1a4o h MET 26 Ca 0.54 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.07 1a4o h MET 26 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1a4o h MET 26 CO -0.26 0.61 -0.29 -0.22 1.06 0.00 0.00 176.91 177.81 1a4o h LYS 27 N 0.00 0.50 0.18 1.72 3.64 0.17 -0.02 116.57 122.76 1a4o h LYS 27 Ca -0.01 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1a4o h LYS 27 Cb 1.48 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.29 1a4o h LYS 27 CO 0.08 0.91 -0.52 0.77 -2.27 0.00 0.00 179.45 178.42 1a4o h SER 28 N 0.15 -1.54 -0.54 4.20 0.02 -0.96 0.15 113.55 115.03 1a4o h SER 28 Ca 0.01 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1a4o h SER 28 Cb 0.87 0.56 -0.06 0.00 0.14 0.00 0.00 62.40 63.91 1a4o h SER 28 CO 0.07 -0.57 0.23 0.58 -1.14 0.00 0.00 176.83 175.99 1a4o h VAL 29 N -0.79 0.86 -0.34 2.27 2.07 -1.46 -2.80 116.25 116.06 1a4o h VAL 29 Ca -0.02 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1a4o h VAL 29 Cb 0.77 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1a4o h VAL 29 CO -0.25 0.08 -0.16 0.00 0.02 0.00 0.00 177.57 177.27 1a4o h THR 30 N 0.43 1.25 -0.51 2.57 1.03 -0.51 -2.78 112.91 114.40 1a4o h THR 30 Ca 0.25 -1.16 -0.18 0.00 -0.01 0.00 0.00 66.41 65.31 1a4o h THR 30 Cb 0.24 1.16 -0.11 0.00 -1.07 0.00 0.00 68.15 68.38 1a4o h THR 30 CO -0.23 0.38 0.23 -1.84 -0.01 0.00 0.00 175.52 174.06 1a4o n GLU 31 N -4.16 2.48 0.00 0.00 0.28 0.50 -4.47 120.64 115.26 1a4o n GLU 31 Ca 0.01 -1.90 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 1a4o n GLU 31 Cb 0.37 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.40 1a4o n GLU 31 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1a4o n GLN 32 N -0.13 0.00 -4.13 3.44 -0.06 -1.05 -5.01 117.38 110.44 1a4o n GLN 32 Ca 0.29 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.94 1a4o n GLN 32 Cb 1.06 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 27.14 1a4o n GLN 32 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1a4o s GLY 33 N 0.00 1.87 0.00 1.69 0.00 -1.26 -5.11 107.32 104.51 1a4o s GLY 33 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1a4o s GLY 33 CO 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 173.10 173.03 1a4o n ALA 34 N 3.29 0.00 -2.83 3.20 0.00 -1.26 -4.86 120.51 118.05 1a4o n ALA 34 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1a4o n ALA 34 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1a4o n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 35 N 0.00 -1.95 -2.37 0.00 4.07 -1.26 -4.90 120.64 114.22 1a4o n GLU 35 Ca 0.00 1.86 -0.43 0.00 -0.06 0.00 0.00 57.16 58.53 1a4o n GLU 35 Cb 0.00 -5.46 -0.02 0.00 -0.06 0.00 0.00 31.44 25.89 1a4o n GLU 35 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1a4o s LEU 36 N -2.91 3.88 0.13 4.31 1.02 -1.26 -4.96 118.68 118.89 1a4o s LEU 36 Ca 0.17 1.27 -0.34 0.00 0.02 0.00 0.00 54.13 55.25 1a4o s LEU 36 Cb -0.05 -3.54 -0.17 0.00 0.02 0.00 0.00 46.19 42.45 1a4o s LEU 36 CO 0.72 -1.11 1.00 -0.24 0.02 0.00 0.00 176.35 176.74 1a4o n SER 37 N 7.75 0.40 -0.31 2.29 2.88 -1.26 -4.07 113.62 121.30 1a4o n SER 37 Ca 0.15 1.14 0.29 0.00 -1.33 0.00 0.00 58.87 59.13 1a4o n SER 37 Cb 0.46 -1.07 0.51 0.00 -0.75 0.00 0.00 64.21 63.36 1a4o n SER 37 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a4o n ASN 38 N 1.87 0.23 0.00 -3.46 4.13 -1.26 0.16 115.26 116.93 1a4o n ASN 38 Ca 0.17 1.23 -0.12 0.00 1.68 0.00 0.00 54.58 57.55 1a4o n ASN 38 Cb 0.20 -0.60 -0.07 0.00 -1.54 0.00 0.00 39.78 37.76 1a4o n ASN 38 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1a4o h GLU 39 N 0.00 0.07 -0.49 3.52 4.81 -2.02 -2.76 114.58 117.71 1a4o h GLU 39 Ca 0.70 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.89 1a4o h GLU 39 Cb 2.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 1a4o h GLU 39 CO -0.51 0.23 0.21 0.93 -0.73 0.00 0.00 179.01 179.14 1a4o h GLU 40 N -0.11 0.70 0.50 1.92 5.08 0.13 -2.72 114.58 120.07 1a4o h GLU 40 Ca 0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1a4o h GLU 40 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1a4o h GLU 40 CO -0.00 0.57 -0.41 -0.09 -1.00 0.00 0.00 179.01 178.08 1a4o h ARG 41 N 0.69 -0.86 -0.01 2.33 2.43 -0.40 0.08 114.38 118.64 1a4o h ARG 41 Ca 0.17 0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 59.21 1a4o h ARG 41 Cb 0.12 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1a4o h ARG 41 CO -0.02 -0.57 -0.81 -0.97 -1.51 0.00 0.00 179.97 176.08 1a4o h ASN 42 N -0.89 0.26 -0.96 -3.80 -0.00 -1.59 -2.66 115.58 105.94 1a4o h ASN 42 Ca -0.05 -0.20 0.23 0.00 -0.00 0.00 0.00 56.30 56.28 1a4o h ASN 42 Cb 0.77 -0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 38.94 1a4o h ASN 42 CO -0.01 0.97 0.64 0.25 -0.00 0.00 0.00 177.43 179.27 1a4o h LEU 43 N 0.13 0.36 0.23 0.34 5.85 -1.34 0.65 115.31 121.53 1a4o h LEU 43 Ca -0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1a4o h LEU 43 Cb 1.41 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1a4o h LEU 43 CO 0.12 0.12 -0.11 0.25 -0.34 0.00 0.00 178.44 178.48 1a4o h LEU 44 N 0.34 -0.27 -1.05 2.25 5.85 -0.64 -2.99 115.31 118.81 1a4o h LEU 44 Ca 0.51 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1a4o h LEU 44 Cb 1.38 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1a4o h LEU 44 CO -0.19 0.17 0.12 -1.28 -0.34 0.00 0.00 178.44 176.92 1a4o h SER 45 N -0.76 0.75 -0.24 1.25 0.87 -0.50 -2.09 113.55 112.82 1a4o h SER 45 Ca -0.03 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.35 1a4o h SER 45 Cb 0.50 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1a4o h SER 45 CO 0.05 0.74 -0.04 1.62 -0.53 0.00 0.00 176.83 178.67 1a4o h VAL 46 N 0.77 1.28 0.86 2.23 3.04 0.06 -1.85 116.25 122.65 1a4o h VAL 46 Ca 0.17 -1.01 -0.04 0.00 -1.01 0.00 0.00 66.70 64.80 1a4o h VAL 46 Cb 0.29 1.47 0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1a4o h VAL 46 CO -0.00 0.31 -0.42 0.00 -1.01 0.00 0.00 177.57 176.46 1a4o h ALA 47 N 0.77 -1.30 -0.08 3.17 0.00 -1.47 -1.55 119.26 118.80 1a4o h ALA 47 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1a4o h ALA 47 Cb 0.49 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1a4o h ALA 47 CO 0.02 -1.22 0.13 1.88 0.00 0.00 0.00 179.25 180.06 1a4o h TYR 48 N -1.17 0.00 0.00 0.00 0.05 -1.44 -2.29 116.97 112.12 1a4o h TYR 48 Ca -0.12 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.46 1a4o h TYR 48 Cb 0.89 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 1a4o h TYR 48 CO 0.03 0.00 -1.45 1.57 -1.05 0.00 0.00 178.16 177.27 1a4o h LYS 49 N 0.00 0.00 -0.43 4.88 2.10 -1.12 -2.17 116.57 119.83 1a4o h LYS 49 Ca 0.04 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.57 1a4o h LYS 49 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1a4o h LYS 49 CO -0.00 0.36 -0.19 -0.91 -2.00 0.00 0.00 179.45 176.71 1a4o h ASN 50 N 0.00 0.91 0.16 7.07 2.35 -0.73 0.52 115.58 125.85 1a4o h ASN 50 Ca -0.19 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.16 1a4o h ASN 50 Cb 1.69 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.81 1a4o h ASN 50 CO 0.06 1.10 -0.08 0.58 -1.65 0.00 0.00 177.43 177.44 1a4o h VAL 51 N 0.71 0.93 -0.55 2.81 2.07 -1.58 -1.25 116.25 119.38 1a4o h VAL 51 Ca 0.10 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1a4o h VAL 51 Cb 0.75 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1a4o h VAL 51 CO 0.06 0.22 0.18 1.62 0.02 0.00 0.00 177.57 179.67 1a4o h VAL 52 N -0.79 1.24 -0.81 2.57 3.04 -1.48 -2.81 116.25 117.21 1a4o h VAL 52 Ca -0.02 -0.79 0.06 0.00 -1.01 0.00 0.00 66.70 64.94 1a4o h VAL 52 Cb 0.53 0.71 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 1a4o h VAL 52 CO 0.04 0.30 0.53 1.23 -1.01 0.00 0.00 177.57 178.65 1a4o h GLY 53 N 0.77 1.12 0.98 3.17 0.00 -0.95 0.13 103.07 108.28 1a4o h GLY 53 Ca 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1a4o h GLY 53 CO -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 176.54 176.74 1a4o h ALA 54 N 1.56 -0.16 -0.35 3.60 0.00 -0.97 -1.54 119.26 121.40 1a4o h ALA 54 Ca 0.35 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1a4o h ALA 54 Cb 0.22 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1a4o h ALA 54 CO -0.12 -0.59 -0.19 0.00 0.00 0.00 0.00 179.25 178.34 1a4o h ARG 55 N -0.17 0.67 -0.76 0.00 -0.00 -1.13 -1.11 114.38 111.88 1a4o h ARG 55 Ca -0.01 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.98 59.17 1a4o h ARG 55 Cb 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.03 1a4o h ARG 55 CO 0.01 0.82 0.26 0.00 0.00 0.00 0.00 179.97 181.07 1a4o h ARG 56 N 0.59 1.16 0.97 0.04 3.08 -0.67 0.31 114.38 119.85 1a4o h ARG 56 Ca 0.09 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1a4o h ARG 56 Cb 0.66 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1a4o h ARG 56 CO 0.05 0.97 -0.47 1.03 -1.07 0.00 0.00 179.97 180.48 1a4o h SER 57 N 1.11 -1.10 -0.45 7.04 0.87 -0.99 -2.08 113.55 117.95 1a4o h SER 57 Ca 0.25 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.93 1a4o h SER 57 Cb 0.27 0.29 -0.10 0.00 -0.44 0.00 0.00 62.40 62.42 1a4o h SER 57 CO -0.01 -0.79 -0.32 0.28 -0.53 0.00 0.00 176.83 175.45 1a4o h SER 58 N -1.30 -1.09 -0.65 6.23 0.02 -0.96 -1.28 113.55 114.51 1a4o h SER 58 Ca -0.13 0.20 0.14 0.00 -0.84 0.00 0.00 61.79 61.15 1a4o h SER 58 Cb 1.00 0.52 -0.10 0.00 0.14 0.00 0.00 62.40 63.96 1a4o h SER 58 CO 0.22 -0.31 0.07 -0.25 -1.14 0.00 0.00 176.83 175.42 1a4o h TRP 59 N -0.22 0.09 0.50 3.45 7.01 -0.36 -2.06 115.95 124.36 1a4o h TRP 59 Ca 0.19 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.21 1a4o h TRP 59 Cb 0.54 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1a4o h TRP 59 CO -0.56 -0.12 -0.34 0.00 -2.79 0.00 0.00 178.44 174.63 1a4o h ARG 60 N 0.18 -0.77 -0.37 2.65 3.08 -0.50 -2.72 114.38 115.93 1a4o h ARG 60 Ca 0.35 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.52 1a4o h ARG 60 Cb 0.57 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1a4o h ARG 60 CO -0.50 -0.51 -0.02 -0.24 -1.07 0.00 0.00 179.97 177.63 1a4o h VAL 61 N -0.80 0.71 0.00 2.04 3.04 -1.31 -0.90 116.25 119.02 1a4o h VAL 61 Ca -0.07 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1a4o h VAL 61 Cb 0.65 0.62 -0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1a4o h VAL 61 CO 0.05 0.02 -0.00 1.62 -1.01 0.00 0.00 177.57 178.24 1a4o h VAL 62 N 0.08 0.08 0.00 1.51 3.04 -1.43 -0.98 116.25 118.56 1a4o h VAL 62 Ca 0.18 -0.05 -0.09 0.00 -1.01 0.00 0.00 66.70 65.73 1a4o h VAL 62 Cb 0.26 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1a4o h VAL 62 CO -0.32 0.00 -0.94 0.28 -1.01 0.00 0.00 177.57 175.58 1a4o h SER 63 N 0.00 0.00 -0.04 3.17 0.02 -0.85 0.45 113.55 116.30 1a4o h SER 63 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1a4o h SER 63 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1a4o h SER 63 CO 0.00 0.33 -0.15 0.77 -1.14 0.00 0.00 176.83 176.64 1a4o h SER 64 N 0.00 0.20 0.40 3.07 4.64 -0.51 -2.88 113.55 118.47 1a4o h SER 64 Ca -0.06 -0.64 -0.02 0.00 -0.47 0.00 0.00 61.79 60.59 1a4o h SER 64 Cb 1.31 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1a4o h SER 64 CO 0.03 0.81 -0.12 0.40 -0.87 0.00 0.00 176.83 177.08 1a4o h ILE 65 N -0.39 0.54 -0.05 0.95 2.04 -1.33 -1.76 117.51 117.51 1a4o h ILE 65 Ca -0.01 -0.54 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 1a4o h ILE 65 Cb 0.80 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1a4o h ILE 65 CO 0.03 0.11 -0.68 -0.08 0.00 0.00 0.00 178.15 177.53 1a4o h GLU 66 N 0.00 0.23 0.05 2.37 4.81 -0.79 -3.28 114.58 117.97 1a4o h GLU 66 Ca -0.00 -0.18 -0.27 0.00 -0.13 0.00 0.00 59.36 58.78 1a4o h GLU 66 Cb 0.35 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1a4o h GLU 66 CO 0.02 0.82 -1.36 -0.56 -0.73 0.00 0.00 179.01 177.20 1a4o h GLN 67 N 0.16 0.11 -2.76 1.92 -0.00 -1.13 -3.45 115.11 109.96 1a4o h GLN 67 Ca -0.02 -0.19 -0.75 0.00 -0.00 0.00 0.00 58.65 57.70 1a4o h GLN 67 Cb 1.23 0.07 -0.32 0.00 -0.00 0.00 0.00 27.48 28.45 1a4o h GLN 67 CO 0.11 0.95 0.34 1.63 -0.00 0.00 0.00 178.83 181.86 1a4o n LYS 68 N -3.34 3.80 -0.01 0.06 5.02 -0.80 -5.13 118.16 117.77 1a4o n LYS 68 Ca -0.10 -4.58 -0.00 0.00 -2.02 0.00 0.00 58.31 51.60 1a4o n LYS 68 Cb 1.01 -2.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1a4o n LYS 68 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1a4o h GLU 73 N 5.16 0.00 -0.72 1.97 4.22 -1.97 -3.41 114.58 119.84 1a4o h GLU 73 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1a4o h GLU 73 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1a4o h GLU 73 CO 1.16 0.00 0.47 -0.22 -2.18 0.00 0.00 179.01 178.23 1a4o h LYS 74 N -0.11 0.95 -0.15 1.92 3.64 -2.01 0.88 116.57 121.68 1a4o h LYS 74 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1a4o h LYS 74 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1a4o h LYS 74 CO 0.00 0.63 0.20 -0.22 -2.27 0.00 0.00 179.45 177.79 1a4o h LYS 75 N 0.97 0.00 0.04 1.90 3.64 -1.99 -1.19 116.57 119.94 1a4o h LYS 75 Ca 0.26 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.35 1a4o h LYS 75 Cb -0.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1a4o h LYS 75 CO -0.05 0.00 -1.63 0.37 -2.27 0.00 0.00 179.45 175.87 1a4o h GLN 76 N 0.00 0.09 -0.36 1.90 4.15 0.39 -2.55 115.11 118.72 1a4o h GLN 76 Ca 0.07 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 1a4o h GLN 76 Cb 0.47 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1a4o h GLN 76 CO -0.00 0.79 -0.13 0.37 -1.93 0.00 0.00 178.83 177.92 1a4o h GLN 77 N 0.02 0.73 -0.81 1.69 4.15 0.09 1.47 115.11 122.47 1a4o h GLN 77 Ca -0.26 -0.30 0.05 0.00 0.77 0.00 0.00 58.65 58.91 1a4o h GLN 77 Cb 1.99 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.60 1a4o h GLN 77 CO 0.10 0.91 0.53 0.00 -1.93 0.00 0.00 178.83 178.44 1a4o h MET 78 N 0.53 0.91 0.00 1.69 -0.00 -1.49 0.21 114.93 116.78 1a4o h MET 78 Ca 0.09 -0.05 -0.17 0.00 -0.00 0.00 0.00 59.70 59.56 1a4o h MET 78 Cb 0.66 -0.20 -0.03 0.00 -0.00 0.00 0.00 31.60 32.03 1a4o h MET 78 CO 0.05 0.60 -1.12 0.00 -0.00 0.00 0.00 176.91 176.43 1a4o h ALA 79 N 1.55 0.63 0.01 -3.00 0.00 -0.98 -2.69 119.26 114.78 1a4o h ALA 79 Ca 0.33 -0.81 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1a4o h ALA 79 Cb 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a4o h ALA 79 CO -0.11 0.95 -0.93 -0.09 0.00 0.00 0.00 179.25 179.07 1a4o h ARG 80 N 0.00 0.33 -0.47 0.00 2.43 0.24 -2.64 114.38 114.28 1a4o h ARG 80 Ca -0.11 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1a4o h ARG 80 Cb 1.60 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 1a4o h ARG 80 CO 0.07 1.06 0.25 1.49 -1.51 0.00 0.00 179.97 181.33 1a4o h GLU 81 N 0.18 0.65 -0.07 0.20 4.81 -0.64 -0.08 114.58 119.63 1a4o h GLU 81 Ca -0.07 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.93 1a4o h GLU 81 Cb 1.57 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.83 1a4o h GLU 81 CO 0.15 0.52 -0.57 -0.92 -0.73 0.00 0.00 179.01 177.47 1a4o h TYR 82 N 0.61 0.71 -0.57 0.92 3.20 -1.52 -3.01 116.97 117.30 1a4o h TYR 82 Ca 0.16 -0.34 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 1a4o h TYR 82 Cb 0.06 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1a4o h TYR 82 CO -0.02 1.13 0.25 -0.09 -1.64 0.00 0.00 178.16 177.79 1a4o h ARG 83 N 0.09 0.82 -0.44 1.82 1.12 -1.44 -1.74 114.38 114.62 1a4o h ARG 83 Ca -0.05 -0.12 0.06 0.00 -1.11 0.00 0.00 59.98 58.76 1a4o h ARG 83 Cb 1.23 -0.15 -0.05 0.00 -0.01 0.00 0.00 29.97 30.99 1a4o h ARG 83 CO 0.12 0.66 0.15 1.49 -3.11 0.00 0.00 179.97 179.27 1a4o h GLU 84 N 0.82 0.30 -0.25 0.20 4.81 -1.03 -1.49 114.58 117.94 1a4o h GLU 84 Ca 0.20 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1a4o h GLU 84 Cb 0.13 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1a4o h GLU 84 CO -0.02 0.20 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.06 1a4o h LYS 85 N 0.31 0.56 -0.75 1.92 3.64 -1.26 -2.92 116.57 118.07 1a4o h LYS 85 Ca 0.21 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1a4o h LYS 85 Cb 0.21 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1a4o h LYS 85 CO -0.22 0.85 0.24 0.82 -2.27 0.00 0.00 179.45 178.87 1a4o h ILE 86 N 0.27 1.26 -0.66 2.00 2.04 -1.22 -2.74 117.51 118.46 1a4o h ILE 86 Ca 0.05 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1a4o h ILE 86 Cb 0.71 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1a4o h ILE 86 CO 0.05 0.36 0.35 -0.08 0.00 0.00 0.00 178.15 178.83 1a4o h GLU 87 N 1.11 0.62 -0.38 2.37 4.81 -1.28 -0.26 114.58 121.57 1a4o h GLU 87 Ca 0.24 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1a4o h GLU 87 Cb 0.30 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1a4o h GLU 87 CO -0.01 0.41 0.18 1.15 -0.73 0.00 0.00 179.01 180.02 1a4o h THR 88 N 0.64 1.17 -0.43 0.32 2.02 -1.31 0.50 112.91 115.83 1a4o h THR 88 Ca 0.30 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1a4o h THR 88 Cb 0.22 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1a4o h THR 88 CO -0.20 0.18 0.22 -0.33 0.37 0.00 0.00 175.52 175.76 1a4o h GLU 89 N 0.48 0.43 -0.74 6.66 5.08 -1.14 0.08 114.58 125.43 1a4o h GLU 89 Ca 0.13 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1a4o h GLU 89 Cb 0.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1a4o h GLU 89 CO -0.02 0.28 0.48 1.25 -1.00 0.00 0.00 179.01 180.00 1a4o h LEU 90 N 0.44 0.81 -0.37 1.33 5.85 -0.74 -2.49 115.31 120.13 1a4o h LEU 90 Ca 0.18 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1a4o h LEU 90 Cb 0.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1a4o h LEU 90 CO -0.12 0.57 -0.61 -0.09 -0.34 0.00 0.00 178.44 177.85 1a4o h ARG 91 N 0.96 0.68 0.00 1.25 2.43 0.67 -2.62 114.38 117.75 1a4o h ARG 91 Ca 0.28 -0.47 -0.04 0.00 -0.81 0.00 0.00 59.98 58.95 1a4o h ARG 91 Cb -0.05 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1a4o h ARG 91 CO -0.08 1.09 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.85 1a4o h ASP 92 N 0.50 0.00 0.47 -3.80 3.32 -0.86 -2.16 116.42 113.90 1a4o h ASP 92 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1a4o h ASP 92 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1a4o h ASP 92 CO 0.12 0.17 -0.23 0.40 -1.72 0.00 0.00 179.24 177.98 1a4o h ILE 93 N 0.00 0.00 -0.64 0.35 1.08 -1.10 -1.63 117.51 115.58 1a4o h ILE 93 Ca -0.00 -0.16 0.13 0.00 -0.39 0.00 0.00 64.86 64.43 1a4o h ILE 93 Cb 0.33 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.98 1a4o h ILE 93 CO 0.02 0.00 0.12 0.00 -0.69 0.00 0.00 178.15 177.60 1a4o h ASN 95 N 0.24 0.87 0.54 0.00 2.35 -1.47 0.23 115.58 118.34 1a4o h ASN 95 Ca 0.34 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1a4o h ASN 95 Cb 0.53 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 1a4o h ASN 95 CO -0.45 0.68 -0.46 -0.78 -1.65 0.00 0.00 177.43 174.77 1a4o h ASP 96 N 0.98 -1.22 -0.05 5.81 1.82 -0.10 -1.64 116.42 122.03 1a4o h ASP 96 Ca 0.26 0.09 -0.09 0.00 -0.39 0.00 0.00 57.03 56.90 1a4o h ASP 96 Cb -0.03 0.39 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1a4o h ASP 96 CO -0.05 -0.63 -0.24 1.62 -1.61 0.00 0.00 179.24 178.33 1a4o h VAL 97 N -0.97 1.26 -0.42 2.25 3.04 -1.07 -2.84 116.25 117.50 1a4o h VAL 97 Ca -0.07 -1.22 -0.01 0.00 -1.01 0.00 0.00 66.70 64.39 1a4o h VAL 97 Cb 0.82 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1a4o h VAL 97 CO -0.01 0.39 0.23 0.25 -1.01 0.00 0.00 177.57 177.42 1a4o h LEU 98 N 0.41 0.50 -0.03 3.16 5.85 -0.40 -0.23 115.31 124.57 1a4o h LEU 98 Ca 0.06 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1a4o h LEU 98 Cb 0.64 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1a4o h LEU 98 CO 0.05 0.40 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.23 1a4o h SER 99 N 0.58 0.09 -0.46 1.25 0.87 -1.06 0.11 113.55 114.93 1a4o h SER 99 Ca 0.15 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1a4o h SER 99 Cb 0.01 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1a4o h SER 99 CO -0.03 0.59 0.14 -0.07 -0.53 0.00 0.00 176.83 176.93 1a4o h LEU 100 N -0.40 0.73 0.00 2.23 4.07 -1.36 0.34 115.31 120.91 1a4o h LEU 100 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1a4o h LEU 100 Cb 0.57 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1a4o h LEU 100 CO 0.01 0.71 0.00 0.18 -1.08 0.00 0.00 178.44 178.26 1a4o n LEU 101 N -4.29 0.00 -0.27 1.67 4.32 -0.12 -0.82 117.00 117.49 1a4o n LEU 101 Ca 0.04 0.74 0.07 0.00 -0.02 0.00 0.00 56.01 56.83 1a4o n LEU 101 Cb 0.21 -0.24 0.31 0.00 -1.62 0.00 0.00 43.42 42.08 1a4o n LEU 101 CO 0.39 -0.24 1.23 -0.33 -1.22 0.00 0.00 177.39 177.23 1a4o h GLU 102 N 0.00 0.84 -0.01 3.23 5.08 -0.81 0.34 114.58 123.25 1a4o h GLU 102 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1a4o h GLU 102 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1a4o h GLU 102 CO 0.00 0.56 -0.35 1.63 -1.00 0.00 0.00 179.01 179.84 1a4o n LYS 103 N -4.51 0.59 0.03 2.33 4.01 0.11 -4.55 118.16 116.16 1a4o n LYS 103 Ca 0.14 -0.36 0.00 0.00 -0.51 0.00 0.00 58.31 57.58 1a4o n LYS 103 Cb 0.28 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1a4o n LYS 103 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1a4o n PHE 104 N -0.89 -0.69 0.13 2.13 3.01 -0.71 -4.98 117.46 115.46 1a4o n PHE 104 Ca 0.10 0.10 -0.05 0.00 1.01 0.00 0.00 57.45 58.60 1a4o n PHE 104 Cb 0.35 0.58 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 1a4o n PHE 104 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1a4o h LEU 105 N 0.00 -0.29 -1.20 4.37 4.07 0.54 -3.30 115.31 119.50 1a4o h LEU 105 Ca 0.00 0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.12 1a4o h LEU 105 Cb 0.00 0.08 -0.08 0.00 1.08 0.00 0.00 40.66 41.74 1a4o h LEU 105 CO 0.00 -0.13 0.60 0.16 -1.08 0.00 0.00 178.44 177.99 1a4o h ILE 106 N -0.51 0.82 -0.32 1.22 3.07 -0.66 0.17 117.51 121.30 1a4o h ILE 106 Ca -0.04 -0.26 -0.15 0.00 1.55 0.00 0.00 64.86 65.96 1a4o h ILE 106 Cb 0.26 0.01 -0.09 0.00 -0.27 0.00 0.00 36.82 36.73 1a4o h ILE 106 CO 0.06 0.14 0.19 -0.81 -1.05 0.00 0.00 178.15 176.68 1a4o n PRO 107 N -4.60 1.53 -3.36 0.16 -0.04 -1.26 -4.50 135.00 122.92 1a4o n PRO 107 Ca 0.19 -1.01 -0.16 0.00 -0.04 0.00 0.00 63.50 62.48 1a4o n PRO 107 Cb 0.48 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 1a4o n PRO 107 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1a4o s ASN 108 N 0.17 1.18 0.00 3.54 3.84 0.05 -5.04 114.94 118.69 1a4o s ASN 108 Ca 0.19 -1.17 0.00 0.00 0.21 0.00 0.00 52.86 52.09 1a4o s ASN 108 Cb 0.16 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.49 1a4o s ASN 108 CO 0.04 -0.31 0.00 0.00 -2.79 0.00 0.00 177.10 174.04 1a4o n ALA 109 N 4.71 0.00 0.02 1.71 0.00 -1.26 -4.51 120.51 121.17 1a4o n ALA 109 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1a4o n ALA 109 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1a4o n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o n ALA 112 N -3.00 3.00 0.10 0.00 0.00 -1.26 -5.03 120.51 114.32 1a4o n ALA 112 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1a4o n ALA 112 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 19.45 19.63 1a4o n ALA 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1a4o h GLU 113 N 0.00 0.12 -0.71 0.00 4.11 -2.00 -3.25 114.58 112.86 1a4o h GLU 113 Ca 0.00 -0.11 0.20 0.00 0.07 0.00 0.00 59.36 59.53 1a4o h GLU 113 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1a4o h GLU 113 CO 0.00 0.78 0.53 0.66 0.07 0.00 0.00 179.01 181.05 1a4o h SER 114 N 0.08 0.00 1.11 3.06 4.64 -1.98 -2.48 113.55 117.99 1a4o h SER 114 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1a4o h SER 114 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1a4o h SER 114 CO 0.10 0.00 -0.20 0.11 -0.87 0.00 0.00 176.83 175.97 1a4o h LYS 115 N 0.00 0.00 0.01 4.77 1.57 -1.93 -1.18 116.57 119.81 1a4o h LYS 115 Ca 0.34 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.84 1a4o h LYS 115 Cb 1.39 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 1a4o h LYS 115 CO -0.00 0.20 -1.59 -0.24 -0.57 0.00 0.00 179.45 177.24 1a4o h VAL 116 N 0.00 1.00 1.00 0.50 3.04 -1.66 -2.25 116.25 117.87 1a4o h VAL 116 Ca -0.00 -2.82 -0.05 0.00 -1.01 0.00 0.00 66.70 62.82 1a4o h VAL 116 Cb 0.81 2.50 0.01 0.00 -2.01 0.00 0.00 31.29 32.60 1a4o h VAL 116 CO 0.03 0.59 -0.48 0.15 -1.01 0.00 0.00 177.57 176.85 1a4o h PHE 117 N 0.00 -1.24 -0.20 3.17 3.04 -1.46 -1.13 116.94 119.12 1a4o h PHE 117 Ca -0.24 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.68 1a4o h PHE 117 Cb 1.97 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 40.88 1a4o h PHE 117 CO 0.00 -0.77 0.11 1.88 -2.02 0.00 0.00 178.31 177.52 1a4o h TYR 118 N -1.35 0.28 0.00 0.41 0.05 -1.35 -0.51 116.97 114.48 1a4o h TYR 118 Ca -0.14 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1a4o h TYR 118 Cb 1.03 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1a4o h TYR 118 CO -0.00 0.24 0.00 -0.07 -1.05 0.00 0.00 178.16 177.28 1a4o h LEU 119 N 0.23 0.00 0.01 3.88 4.07 -1.46 0.18 115.31 122.21 1a4o h LEU 119 Ca 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 1a4o h LEU 119 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1a4o h LEU 119 CO -0.01 0.00 -0.10 0.50 -1.08 0.00 0.00 178.44 177.75 1a4o h LYS 120 N 0.00 0.02 -0.90 1.13 3.64 -0.72 -2.70 116.57 117.05 1a4o h LYS 120 Ca 0.00 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1a4o h LYS 120 Cb 0.33 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1a4o h LYS 120 CO 0.00 1.02 0.58 1.98 -2.27 0.00 0.00 179.45 180.76 1a4o h MET 121 N -0.95 0.75 -0.38 1.90 4.05 -0.58 0.52 114.93 120.24 1a4o h MET 121 Ca -0.02 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.22 1a4o h MET 121 Cb 1.06 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.69 1a4o h MET 121 CO 0.01 0.49 -0.29 -0.22 0.23 0.00 0.00 176.91 177.13 1a4o h LYS 122 N 0.77 0.86 -0.30 0.39 3.64 -0.75 -2.67 116.57 118.50 1a4o h LYS 122 Ca 0.45 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1a4o h LYS 122 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1a4o h LYS 122 CO -0.21 1.07 -0.02 0.78 -2.27 0.00 0.00 179.45 178.80 1a4o h GLY 123 N 0.67 0.59 0.51 5.01 0.00 -0.55 -2.91 103.07 106.39 1a4o h GLY 123 Ca 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.00 1a4o h GLY 123 CO 0.08 0.41 -0.08 -0.55 0.00 0.00 0.00 176.54 176.40 1a4o h ASP 124 N 0.33 -0.26 0.23 0.19 3.32 -0.06 -0.25 116.42 119.92 1a4o h ASP 124 Ca 0.08 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1a4o h ASP 124 Cb 0.46 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1a4o h ASP 124 CO 0.02 -0.10 -0.37 1.88 -1.72 0.00 0.00 179.24 178.95 1a4o h TYR 125 N -0.03 0.23 0.00 4.55 0.05 -1.54 -0.54 116.97 119.69 1a4o h TYR 125 Ca 0.11 -0.06 -0.11 0.00 0.05 0.00 0.00 58.73 58.73 1a4o h TYR 125 Cb 0.20 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1a4o h TYR 125 CO -0.25 0.55 -0.51 1.88 -1.05 0.00 0.00 178.16 178.78 1a4o h TYR 126 N 0.17 0.00 -0.50 4.88 0.05 -1.27 -1.47 116.97 118.84 1a4o h TYR 126 Ca 0.02 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.72 1a4o h TYR 126 Cb 0.74 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.46 1a4o h TYR 126 CO 0.01 0.51 0.02 -0.09 -1.05 0.00 0.00 178.16 177.55 1a4o h ARG 127 N 0.00 0.88 0.00 4.88 2.43 -0.29 0.33 114.38 122.61 1a4o h ARG 127 Ca -0.01 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1a4o h ARG 127 Cb 0.96 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1a4o h ARG 127 CO 0.07 0.90 -0.35 1.88 -1.51 0.00 0.00 179.97 180.96 1a4o h TYR 128 N 0.74 0.00 0.00 2.20 0.05 -0.92 -1.82 116.97 117.22 1a4o h TYR 128 Ca 0.14 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.74 1a4o h TYR 128 Cb 0.50 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1a4o h TYR 128 CO 0.04 0.35 -0.93 1.25 -1.05 0.00 0.00 178.16 177.81 1a4o h LEU 129 N 0.00 0.00 -0.21 3.88 5.85 -0.82 -3.17 115.31 120.84 1a4o h LEU 129 Ca -0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 1a4o h LEU 129 Cb 0.94 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1a4o h LEU 129 CO 0.05 0.81 -0.86 0.00 -0.34 0.00 0.00 178.44 178.10 1a4o h ALA 130 N 1.19 0.54 -0.17 1.25 0.00 -0.04 0.16 119.26 122.18 1a4o h ALA 130 Ca -0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 1a4o h ALA 130 Cb 1.66 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1a4o h ALA 130 CO 0.10 1.07 -0.35 0.93 0.00 0.00 0.00 179.25 181.00 1a4o h GLU 131 N 0.00 0.35 0.00 0.00 5.08 -1.39 -3.23 114.58 115.39 1a4o h GLU 131 Ca -0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1a4o h GLU 131 Cb 1.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1a4o h GLU 131 CO 0.11 0.65 -0.81 0.28 -1.00 0.00 0.00 179.01 178.24 1a4o n VAL 132 N -4.07 0.01 -1.80 3.13 0.31 -1.16 -4.99 118.33 109.75 1a4o n VAL 132 Ca -0.01 -0.02 -0.29 0.00 -0.01 0.00 0.00 64.34 64.01 1a4o n VAL 132 Cb 0.45 0.66 0.12 0.00 -0.91 0.00 0.00 33.84 34.16 1a4o n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a4o s ALA 133 N -3.01 2.33 0.00 3.52 0.00 0.54 -5.06 121.76 120.08 1a4o s ALA 133 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1a4o s ALA 133 Cb 0.16 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1a4o s ALA 133 CO 0.80 -1.99 0.00 0.00 0.00 0.00 0.00 175.76 174.57 1a4o n ALA 134 N -3.53 2.41 -1.00 0.00 0.00 -1.26 -4.74 120.51 112.39 1a4o n ALA 134 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1a4o n ALA 134 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1a4o n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4o n GLY 135 N 2.28 -1.45 0.34 0.00 0.00 -1.26 -4.29 105.19 100.81 1a4o n GLY 135 Ca 0.00 -1.14 0.21 0.00 0.00 0.00 0.00 46.02 45.10 1a4o n GLY 135 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1a4o h ASP 136 N 0.00 0.00 -0.74 1.61 1.82 -2.02 0.33 116.42 117.42 1a4o h ASP 136 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1a4o h ASP 136 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 1a4o h ASP 136 CO 0.00 0.00 0.46 0.44 -1.61 0.00 0.00 179.24 178.53 1a4o h ASP 137 N 0.00 0.74 -0.62 2.28 5.19 -1.99 -2.25 116.42 119.77 1a4o h ASP 137 Ca 0.00 0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.51 1a4o h ASP 137 Cb 0.16 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.45 1a4o h ASP 137 CO -0.00 0.50 0.24 0.50 -3.12 0.00 0.00 179.24 177.35 1a4o h LYS 138 N 0.88 0.41 0.15 3.56 3.64 -1.10 -2.86 116.57 121.24 1a4o h LYS 138 Ca 0.31 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1a4o h LYS 138 Cb 0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1a4o h LYS 138 CO -0.13 0.27 -0.23 0.87 -2.27 0.00 0.00 179.45 177.96 1a4o h LYS 139 N 0.42 -0.38 -0.81 1.90 1.79 -1.50 -1.78 116.57 116.20 1a4o h LYS 139 Ca 0.31 0.03 0.21 0.00 -2.18 0.00 0.00 60.65 59.02 1a4o h LYS 139 Cb 0.38 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1a4o h LYS 139 CO -0.30 -0.25 0.56 0.78 -1.08 0.00 0.00 179.45 179.16 1a4o h GLY 140 N -0.40 0.35 1.56 3.86 0.00 -1.51 0.05 103.07 106.99 1a4o h GLY 140 Ca -0.02 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1a4o h GLY 140 CO -0.07 0.00 -0.71 -2.22 0.00 0.00 0.00 176.54 173.54 1a4o h ILE 141 N 0.17 1.37 -0.19 2.60 2.04 -1.25 -0.95 117.51 121.30 1a4o h ILE 141 Ca 0.40 -2.09 -0.18 0.00 1.00 0.00 0.00 64.86 64.00 1a4o h ILE 141 Cb 1.32 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1a4o h ILE 141 CO -0.07 0.63 -0.60 1.62 0.00 0.00 0.00 178.15 179.73 1a4o h VAL 142 N 0.30 1.31 -0.23 1.67 3.04 -0.15 -2.71 116.25 119.49 1a4o h VAL 142 Ca -0.03 -1.84 -0.15 0.00 -1.01 0.00 0.00 66.70 63.67 1a4o h VAL 142 Cb 1.28 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 1a4o h VAL 142 CO 0.12 0.58 -0.46 -0.78 -1.01 0.00 0.00 177.57 176.02 1a4o h ASP 143 N 0.48 0.64 0.09 3.17 3.58 -1.23 -2.86 116.42 120.28 1a4o h ASP 143 Ca -0.00 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 1a4o h ASP 143 Cb 1.17 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1a4o h ASP 143 CO 0.12 1.00 -0.11 1.56 -2.88 0.00 0.00 179.24 178.93 1a4o h GLN 144 N 0.48 0.06 -0.14 0.28 1.08 -1.06 -2.83 115.11 112.98 1a4o h GLN 144 Ca 0.03 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 57.00 1a4o h GLN 144 Cb 0.98 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1a4o h GLN 144 CO 0.09 0.18 -0.76 1.03 -0.95 0.00 0.00 178.83 178.42 1a4o h SER 145 N 0.06 0.91 0.29 1.46 0.87 -1.25 -3.24 113.55 112.65 1a4o h SER 145 Ca 0.01 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 59.92 1a4o h SER 145 Cb 0.24 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1a4o h SER 145 CO 0.02 1.40 -0.18 -0.61 -0.53 0.00 0.00 176.83 176.93 1a4o h GLN 146 N 0.48 -0.42 0.00 2.24 4.15 -1.38 -1.50 115.11 118.68 1a4o h GLN 146 Ca -0.06 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1a4o h GLN 146 Cb 1.39 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1a4o h GLN 146 CO 0.16 -0.28 0.31 0.00 -1.93 0.00 0.00 178.83 177.09 1a4o n GLN 147 N -3.34 0.07 -0.09 1.69 10.64 -1.15 -0.14 117.38 125.06 1a4o n GLN 147 Ca -0.05 0.50 -0.15 0.00 -1.83 0.00 0.00 57.00 55.46 1a4o n GLN 147 Cb 0.18 -2.02 -0.08 0.00 -0.86 0.00 0.00 30.24 27.46 1a4o n GLN 147 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a4o h ALA 148 N 1.09 0.15 -0.36 2.61 0.00 -1.51 -3.12 119.26 118.11 1a4o h ALA 148 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1a4o h ALA 148 Cb 0.63 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1a4o h ALA 148 CO 0.00 0.57 0.21 1.88 0.00 0.00 0.00 179.25 181.91 1a4o h TYR 149 N -1.00 0.49 -0.20 0.00 0.05 0.02 -2.37 116.97 113.96 1a4o h TYR 149 Ca -0.20 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.56 1a4o h TYR 149 Cb 0.98 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1a4o h TYR 149 CO 0.00 0.37 0.06 0.37 -1.05 0.00 0.00 178.16 177.91 1a4o h GLN 150 N 0.47 0.27 0.32 4.88 4.15 -0.73 0.44 115.11 124.92 1a4o h GLN 150 Ca 0.13 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1a4o h GLN 150 Cb 0.03 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1a4o h GLN 150 CO -0.02 0.25 -0.15 0.93 -1.93 0.00 0.00 178.83 177.90 1a4o h GLU 151 N 0.28 -0.42 -0.68 1.69 5.08 -1.44 0.11 114.58 119.21 1a4o h GLU 151 Ca 0.07 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1a4o h GLU 151 Cb 0.09 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1a4o h GLU 151 CO -0.01 -0.12 0.45 0.00 -1.00 0.00 0.00 179.01 178.34 1a4o h ALA 152 N -0.70 1.98 -0.55 3.43 0.00 -1.33 0.90 119.26 123.00 1a4o h ALA 152 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1a4o h ALA 152 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a4o h ALA 152 CO 0.07 -0.14 0.02 0.35 0.00 0.00 0.00 179.25 179.55 1a4o h PHE 153 N 0.48 1.00 0.00 0.00 3.57 -0.03 -1.89 116.94 120.07 1a4o h PHE 153 Ca 0.32 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1a4o h PHE 153 Cb 0.59 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1a4o h PHE 153 CO -0.00 0.89 -0.19 0.93 -2.23 0.00 0.00 178.31 177.71 1a4o h GLU 154 N 0.86 0.00 0.00 1.11 5.08 0.15 -3.15 114.58 118.63 1a4o h GLU 154 Ca 0.16 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1a4o h GLU 154 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1a4o h GLU 154 CO 0.02 0.13 -0.83 0.82 -1.00 0.00 0.00 179.01 178.15 1a4o h ILE 155 N 0.00 1.53 -0.52 3.13 2.04 -0.85 -3.30 117.51 119.54 1a4o h ILE 155 Ca -0.00 -2.89 0.10 0.00 1.00 0.00 0.00 64.86 63.07 1a4o h ILE 155 Cb 1.10 2.59 -0.10 0.00 -0.74 0.00 0.00 36.82 39.66 1a4o h ILE 155 CO 0.02 0.81 -0.18 0.28 0.00 0.00 0.00 178.15 179.08 1a4o h SER 156 N 0.00 -0.63 -0.10 1.72 0.02 -1.30 -2.92 113.55 110.35 1a4o h SER 156 Ca -0.01 0.17 -0.59 0.00 -0.84 0.00 0.00 61.79 60.52 1a4o h SER 156 Cb 1.52 0.38 0.04 0.00 0.14 0.00 0.00 62.40 64.47 1a4o h SER 156 CO 0.11 -0.21 2.03 1.17 -1.14 0.00 0.00 176.83 178.78 1a4o n LYS 157 N -5.40 1.48 0.00 3.45 4.81 -1.25 -3.19 118.16 118.07 1a4o n LYS 157 Ca 0.05 -1.95 0.00 0.00 -0.87 0.00 0.00 58.31 55.54 1a4o n LYS 157 Cb 0.30 -3.07 0.00 0.00 0.02 0.00 0.00 35.03 32.29 1a4o n LYS 157 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1a4o n LYS 158 N 7.29 0.00 -0.30 1.64 4.81 -1.10 -4.98 118.16 125.53 1a4o n LYS 158 Ca 0.49 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 58.01 1a4o n LYS 158 Cb 0.42 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.66 1a4o n LYS 158 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a4o n GLU 159 N -0.24 1.99 -0.07 1.64 2.13 -1.26 -5.21 120.64 119.63 1a4o n GLU 159 Ca 0.00 -2.77 0.00 0.00 0.66 0.00 0.00 57.16 55.05 1a4o n GLU 159 Cb 0.00 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.04 1a4o n GLU 159 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1a4o n MET 160 N -1.03 1.90 0.00 5.31 2.81 -1.19 -5.00 117.12 119.91 1a4o n MET 160 Ca 0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1a4o n MET 160 Cb 0.77 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.28 1a4o n MET 160 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1a4o n ILE 166 N 0.00 0.00 -0.03 2.02 3.06 -1.26 -5.02 119.36 118.13 1a4o n ILE 166 Ca 0.00 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.11 1a4o n ILE 166 Cb 0.00 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.07 1a4o n ILE 166 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1a4o h ARG 167 N 0.00 0.08 -0.21 9.51 2.43 -1.96 0.17 114.38 124.40 1a4o h ARG 167 Ca 0.00 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1a4o h ARG 167 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1a4o h ARG 167 CO 0.00 0.73 -0.31 1.25 -1.51 0.00 0.00 179.97 180.12 1a4o h LEU 168 N -0.54 0.43 0.03 3.80 5.85 -1.98 -0.11 115.31 122.79 1a4o h LEU 168 Ca -0.01 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1a4o h LEU 168 Cb 0.74 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1a4o h LEU 168 CO 0.02 0.73 -0.02 1.23 -0.34 0.00 0.00 178.44 180.06 1a4o h GLY 169 N 1.07 -0.05 0.74 3.75 0.00 -1.93 -0.39 103.07 106.26 1a4o h GLY 169 Ca 0.05 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1a4o h GLY 169 CO 0.06 -0.02 0.26 -2.00 0.00 0.00 0.00 176.54 174.84 1a4o h LEU 170 N -0.12 0.37 -0.44 3.11 5.85 -0.40 -1.65 115.31 122.04 1a4o h LEU 170 Ca -0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.83 1a4o h LEU 170 Cb 0.11 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 1a4o h LEU 170 CO 0.01 0.26 -0.24 0.00 -0.34 0.00 0.00 178.44 178.12 1a4o h ALA 171 N 1.27 0.04 0.46 1.25 0.00 -0.48 0.97 119.26 122.76 1a4o h ALA 171 Ca 0.22 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1a4o h ALA 171 Cb 0.12 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1a4o h ALA 171 CO -0.15 -0.60 -0.43 1.25 0.00 0.00 0.00 179.25 179.31 1a4o h LEU 172 N -0.16 -1.18 0.45 0.00 5.85 -0.60 -2.04 115.31 117.64 1a4o h LEU 172 Ca 0.20 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1a4o h LEU 172 Cb 0.48 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1a4o h LEU 172 CO -0.53 -0.60 -0.25 0.78 -0.34 0.00 0.00 178.44 177.50 1a4o h ASN 173 N -0.90 -0.62 -1.10 1.25 2.35 -0.57 -1.56 115.58 114.44 1a4o h ASN 173 Ca -0.05 0.03 0.30 0.00 -0.55 0.00 0.00 56.30 56.03 1a4o h ASN 173 Cb 0.79 0.17 -0.09 0.00 0.05 0.00 0.00 38.32 39.24 1a4o h ASN 173 CO -0.05 -0.40 0.72 0.15 -1.65 0.00 0.00 177.43 176.19 1a4o h PHE 174 N -0.65 0.54 0.15 1.19 3.57 0.84 0.36 116.94 122.94 1a4o h PHE 174 Ca -0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1a4o h PHE 174 Cb 0.51 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1a4o h PHE 174 CO 0.04 0.02 -0.07 1.03 -2.23 0.00 0.00 178.31 177.09 1a4o h SER 175 N 0.29 -0.17 0.44 0.41 0.87 -1.15 -1.65 113.55 112.59 1a4o h SER 175 Ca 0.62 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1a4o h SER 175 Cb 1.75 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 1a4o h SER 175 CO -0.27 -0.03 0.00 0.55 -0.53 0.00 0.00 176.83 176.55 1a4o n VAL 176 N -5.13 1.13 -0.22 2.23 3.14 0.88 -0.86 118.33 119.50 1a4o n VAL 176 Ca -0.09 0.30 -0.07 0.00 -2.96 0.00 0.00 64.34 61.52 1a4o n VAL 176 Cb 0.15 -1.12 0.03 0.00 -1.06 0.00 0.00 33.84 31.84 1a4o n VAL 176 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1a4o h PHE 177 N 0.00 0.97 -1.41 1.45 3.57 0.49 -3.31 116.94 118.70 1a4o h PHE 177 Ca 0.00 -0.08 -0.59 0.00 3.53 0.00 0.00 57.97 60.83 1a4o h PHE 177 Cb 0.22 -0.29 -0.10 0.00 2.79 0.00 0.00 35.95 38.58 1a4o h PHE 177 CO 0.00 0.78 1.39 0.71 -2.23 0.00 0.00 178.31 178.96 1a4o s TYR 178 N -5.49 2.50 0.00 0.41 2.02 -0.04 -5.10 117.35 111.65 1a4o s TYR 178 Ca -0.13 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1a4o s TYR 178 Cb 0.13 -4.67 0.00 0.00 -0.40 0.00 0.00 41.96 37.02 1a4o s TYR 178 CO 0.81 -1.95 0.00 0.98 -1.57 0.00 0.00 175.55 173.81 1a4o n TYR 179 N 8.92 0.00 -4.04 2.71 9.36 -1.25 -4.88 117.16 127.99 1a4o n TYR 179 Ca 0.26 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.46 1a4o n TYR 179 Cb 0.51 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.21 1a4o n TYR 179 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a4o n ALA 188 N 0.00 0.06 0.07 2.98 0.00 -1.25 -5.14 120.51 117.23 1a4o n ALA 188 Ca 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1a4o n ALA 188 Cb 0.00 0.14 0.14 0.00 0.00 0.00 0.00 19.45 19.74 1a4o n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o h SER 190 N 0.00 -0.59 0.42 0.00 4.64 -1.98 -2.31 113.55 113.73 1a4o h SER 190 Ca 0.00 -0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1a4o h SER 190 Cb 0.58 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1a4o h SER 190 CO 0.00 -0.18 -0.20 0.25 -0.87 0.00 0.00 176.83 175.83 1a4o h LEU 191 N -1.12 0.00 -0.08 5.97 5.85 -0.97 -0.59 115.31 124.37 1a4o h LEU 191 Ca -0.07 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1a4o h LEU 191 Cb 0.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 1a4o h LEU 191 CO 0.12 0.20 -0.63 0.00 -0.34 0.00 0.00 178.44 177.79 1a4o h ALA 192 N 1.80 0.18 0.63 1.25 0.00 -1.49 -1.25 119.26 120.39 1a4o h ALA 192 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1a4o h ALA 192 Cb 0.46 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a4o h ALA 192 CO 0.03 0.46 -0.30 -0.22 0.00 0.00 0.00 179.25 179.21 1a4o h LYS 193 N 0.17 -0.82 -0.73 0.00 3.64 -1.06 -2.27 116.57 115.50 1a4o h LYS 193 Ca -0.06 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1a4o h LYS 193 Cb 1.28 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 33.15 1a4o h LYS 193 CO 0.13 -0.50 -0.14 1.15 -2.27 0.00 0.00 179.45 177.81 1a4o h THR 194 N -1.09 0.29 -0.50 1.00 2.02 -1.22 1.68 112.91 115.09 1a4o h THR 194 Ca -0.09 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.18 1a4o h THR 194 Cb 0.70 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 1a4o h THR 194 CO 0.14 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 176.03 1a4o h ALA 195 N 1.72 0.46 0.00 6.16 0.00 -1.20 -1.89 119.26 124.51 1a4o h ALA 195 Ca 0.36 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1a4o h ALA 195 Cb 0.58 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1a4o h ALA 195 CO -0.73 -0.39 -0.22 0.35 0.00 0.00 0.00 179.25 178.25 1a4o h PHE 196 N 0.10 0.00 0.15 0.00 3.57 0.02 -2.66 116.94 118.12 1a4o h PHE 196 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1a4o h PHE 196 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1a4o h PHE 196 CO -0.32 0.00 -0.07 0.22 -2.23 0.00 0.00 178.31 175.91 1a4o h ASP 197 N 0.00 -0.17 1.03 0.41 1.82 0.29 -2.14 116.42 117.66 1a4o h ASP 197 Ca 0.00 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1a4o h ASP 197 Cb 0.89 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1a4o h ASP 197 CO 0.00 0.40 0.00 -0.33 -1.61 0.00 0.00 179.24 177.70 1a4o h GLU 198 N -0.85 0.00 0.00 0.28 5.08 -1.45 -2.56 114.58 115.08 1a4o h GLU 198 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1a4o h GLU 198 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1a4o h GLU 198 CO 0.03 0.00 -0.43 0.00 -1.00 0.00 0.00 179.01 177.61 1a4o h ALA 199 N 2.04 0.75 0.00 3.43 0.00 -1.37 -3.25 119.26 120.86 1a4o h ALA 199 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 1a4o h ALA 199 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1a4o h ALA 199 CO 0.00 0.46 -0.81 0.82 0.00 0.00 0.00 179.25 179.72 1a4o h ILE 200 N 0.00 1.54 0.00 0.00 2.04 -0.95 -3.09 117.51 117.05 1a4o h ILE 200 Ca -0.01 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.03 1a4o h ILE 200 Cb 1.28 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1a4o h ILE 200 CO 0.04 0.79 0.00 0.00 0.00 0.00 0.00 178.15 178.99 1a4o n ALA 201 N -2.36 2.15 0.24 1.87 0.00 -1.23 -1.87 120.51 119.30 1a4o n ALA 201 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1a4o n ALA 201 Cb 0.80 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 1a4o n ALA 201 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 202 N 0.04 1.19 -2.40 0.00 2.13 -1.17 -5.12 120.64 115.31 1a4o n GLU 202 Ca 0.00 -0.08 -0.35 0.00 0.66 0.00 0.00 57.16 57.39 1a4o n GLU 202 Cb 0.16 -1.27 -0.02 0.00 0.27 0.00 0.00 31.44 30.59 1a4o n GLU 202 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a4o s LEU 203 N -3.49 3.86 0.00 4.31 1.43 -0.78 -5.17 118.68 118.85 1a4o s LEU 203 Ca -0.01 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 1a4o s LEU 203 Cb 0.10 -4.48 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1a4o s LEU 203 CO 0.58 -0.94 0.00 -0.11 0.23 0.00 0.00 176.35 176.12 1a4o n LEU 216 N -0.93 0.00 -0.01 1.79 7.94 -1.26 -5.20 117.00 119.32 1a4o n LEU 216 Ca 0.09 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.95 1a4o n LEU 216 Cb 0.51 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 1a4o n LEU 216 CO 0.42 0.00 0.50 0.40 -1.11 0.00 0.00 177.39 177.60 1a4o h ILE 217 N 0.00 0.00 -0.66 1.96 2.04 -1.98 0.24 117.51 119.10 1a4o h ILE 217 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1a4o h ILE 217 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1a4o h ILE 217 CO 0.00 0.00 0.44 0.24 0.00 0.00 0.00 178.15 178.83 1a4o h MET 218 N -0.15 0.86 -0.02 2.37 2.86 -2.01 -2.88 114.93 115.96 1a4o h MET 218 Ca 0.01 -0.05 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1a4o h MET 218 Cb 0.19 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.66 1a4o h MET 218 CO -0.14 0.57 -0.45 0.37 1.06 0.00 0.00 176.91 178.33 1a4o h GLN 219 N 0.89 0.33 -1.03 1.72 -0.00 -1.97 -3.15 115.11 111.89 1a4o h GLN 219 Ca 0.24 -0.34 0.27 0.00 -0.00 0.00 0.00 58.65 58.83 1a4o h GLN 219 Cb -0.09 0.09 -0.11 0.00 0.00 0.00 0.00 27.48 27.37 1a4o h GLN 219 CO -0.05 1.01 0.64 -0.07 0.00 0.00 0.00 178.83 180.36 1a4o h LEU 220 N -0.22 0.55 0.00 -2.39 4.07 -0.33 0.62 115.31 117.61 1a4o h LEU 220 Ca -0.05 0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.95 1a4o h LEU 220 Cb 1.16 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1a4o h LEU 220 CO 0.09 0.07 -0.68 0.17 -1.08 0.00 0.00 178.44 177.00 1a4o h LEU 221 N 0.46 0.00 -0.04 1.67 -0.00 -1.61 -0.14 115.31 115.66 1a4o h LEU 221 Ca 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.51 1a4o h LEU 221 Cb 1.44 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1a4o h LEU 221 CO -0.41 0.34 -0.01 -0.09 -0.00 0.00 0.00 178.44 178.27 1a4o h ARG 222 N 0.00 0.08 -0.82 0.17 1.12 -0.20 -2.90 114.38 111.83 1a4o h ARG 222 Ca -0.04 -0.03 0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1a4o h ARG 222 Cb 1.29 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.20 1a4o h ARG 222 CO 0.04 0.41 0.54 0.22 -3.11 0.00 0.00 179.97 178.07 1a4o h ASP 223 N -0.26 0.94 0.58 -3.80 1.82 -0.06 -2.49 116.42 113.16 1a4o h ASP 223 Ca 0.01 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1a4o h ASP 223 Cb 0.38 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1a4o h ASP 223 CO 0.00 0.69 0.00 0.78 -1.61 0.00 0.00 179.24 179.10 1a4o h ASN 224 N 1.11 0.00 1.26 2.28 2.35 -0.89 -2.15 115.58 119.54 1a4o h ASN 224 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1a4o h ASN 224 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1a4o h ASN 224 CO -0.06 0.00 -0.09 0.18 -1.65 0.00 0.00 177.43 175.81 1a4o n LEU 225 N -2.82 0.59 0.17 1.61 4.32 -0.94 -2.32 117.00 117.62 1a4o n LEU 225 Ca -0.00 0.50 0.04 0.00 -0.02 0.00 0.00 56.01 56.52 1a4o n LEU 225 Cb 0.20 -0.35 0.24 0.00 -1.62 0.00 0.00 43.42 41.90 1a4o n LEU 225 CO 0.22 -0.11 0.60 0.74 -1.22 0.00 0.00 177.39 177.61 1a4o h THR 226 N 0.00 1.00 0.00 -5.08 2.02 -1.43 -3.31 112.91 106.11 1a4o h THR 226 Ca 0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1a4o h THR 226 Cb 0.67 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1a4o h THR 226 CO 0.00 0.45 -0.01 -0.07 0.37 0.00 0.00 175.52 176.26 1a4o h LEU 227 N 0.00 0.00 -1.34 2.58 3.38 -1.63 -3.53 115.31 114.77 1a4o h LEU 227 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a4o h LEU 227 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1a4o h LEU 227 CO 0.06 0.08 0.00 -2.67 0.09 0.00 0.00 178.44 176.00