#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mi9 h ASN 8 N 0.00 0.33 1.15 1.20 -0.00 -2.05 2.59 115.58 118.79 3mi9 h ASN 8 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 3mi9 h ASN 8 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.23 3mi9 h ASN 8 CO 0.00 0.61 -0.55 0.78 -0.00 0.00 0.00 177.43 178.27 3mi9 h ASN 9 N 0.29 0.00 -0.01 1.15 -0.26 -2.05 -3.27 115.58 111.44 3mi9 h ASN 9 Ca 0.04 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3mi9 h ASN 9 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 3mi9 h ASN 9 CO 0.05 0.05 -0.52 0.29 -1.06 0.00 0.00 177.43 176.24 3mi9 n LYS 10 N -2.42 1.17 -0.27 0.81 5.02 -0.38 -4.61 118.16 117.47 3mi9 n LYS 10 Ca 0.03 -0.85 0.08 0.00 -2.02 0.00 0.00 58.31 55.54 3mi9 n LYS 10 Cb 0.48 -1.45 0.22 0.00 -0.02 0.00 0.00 35.03 34.26 3mi9 n LYS 10 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3mi9 h ARG 11 N 2.05 0.33 -0.80 1.97 2.43 0.44 -2.33 114.38 118.47 3mi9 h ARG 11 Ca 0.00 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 3mi9 h ARG 11 Cb 0.69 -0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.02 3mi9 h ARG 11 CO 0.00 0.22 0.31 0.91 -1.51 0.00 0.00 179.97 179.90 3mi9 n TRP 12 N -5.10 2.45 -5.08 2.20 7.02 -1.26 -4.86 117.44 112.81 3mi9 n TRP 12 Ca 0.16 -1.23 -0.32 0.00 -1.02 0.00 0.00 57.50 55.09 3mi9 n TRP 12 Cb 0.51 -0.70 -0.15 0.00 -2.42 0.00 0.00 31.31 28.54 3mi9 n TRP 12 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3mi9 s TYR 13 N -2.90 2.58 0.03 -5.99 2.02 -0.88 -4.62 117.35 107.58 3mi9 s TYR 13 Ca 0.53 -0.57 0.06 0.00 -0.37 0.00 0.00 57.07 56.72 3mi9 s TYR 13 Cb 0.43 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3mi9 s TYR 13 CO 0.13 -0.12 -0.18 -0.06 -1.57 0.00 0.00 175.55 173.75 3mi9 s PHE 14 N -0.20 1.57 0.79 2.71 0.08 0.63 -4.99 117.98 118.57 3mi9 s PHE 14 Ca -0.01 -0.35 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 3mi9 s PHE 14 Cb -0.13 -0.95 0.07 0.00 -0.57 0.00 0.00 43.02 41.43 3mi9 s PHE 14 CO 0.03 0.05 1.09 0.95 -0.10 0.00 0.00 175.22 177.24 3mi9 s THR 15 N -0.72 3.24 0.56 0.64 -4.23 -1.26 -4.64 115.64 109.23 3mi9 s THR 15 Ca 0.05 0.40 0.23 0.00 -1.18 0.00 0.00 61.69 61.20 3mi9 s THR 15 Cb -0.08 -2.91 0.33 0.00 1.34 0.00 0.00 72.50 71.18 3mi9 s THR 15 CO 0.01 -0.52 2.16 0.03 -0.54 0.00 0.00 174.62 175.75 3mi9 h ARG 16 N -1.18 0.00 -0.04 3.99 3.08 -1.99 -1.30 114.38 116.94 3mi9 h ARG 16 Ca -0.45 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 3mi9 h ARG 16 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3mi9 h ARG 16 CO 0.52 0.00 -0.06 0.93 -1.07 0.00 0.00 179.97 180.29 3mi9 h GLU 17 N 0.00 0.12 -0.52 0.04 3.07 -2.00 -2.81 114.58 112.49 3mi9 h GLU 17 Ca 0.04 -0.07 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3mi9 h GLU 17 Cb 0.19 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 3mi9 h GLU 17 CO -0.00 0.62 0.09 1.96 -1.40 0.00 0.00 179.01 180.28 3mi9 h GLN 18 N -0.38 0.81 0.00 2.33 4.20 -1.71 0.45 115.11 120.81 3mi9 h GLN 18 Ca 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 3mi9 h GLN 18 Cb 0.61 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3mi9 h GLN 18 CO 0.01 0.76 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.81 3mi9 h LEU 19 N 0.77 0.00 0.19 1.46 3.38 -1.27 -2.77 115.31 117.06 3mi9 h LEU 19 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3mi9 h LEU 19 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3mi9 h LEU 19 CO 0.00 0.05 -0.09 -0.08 0.09 0.00 0.00 178.44 178.42 3mi9 h GLU 20 N 0.00 -0.24 -3.03 1.13 4.57 -0.71 -3.34 114.58 112.96 3mi9 h GLU 20 Ca -0.00 0.02 -0.55 0.00 -1.18 0.00 0.00 59.36 57.64 3mi9 h GLU 20 Cb 0.13 0.05 0.02 0.00 -0.16 0.00 0.00 28.75 28.79 3mi9 h GLU 20 CO 0.01 -0.00 3.19 -1.71 -1.18 0.00 0.00 179.01 179.32 3mi9 n ASN 21 N -4.93 7.46 -4.87 1.04 2.85 -0.23 -4.77 115.26 111.81 3mi9 n ASN 21 Ca -0.05 -2.49 -0.30 0.00 -0.11 0.00 0.00 54.58 51.63 3mi9 n ASN 21 Cb 0.18 -1.42 0.04 0.00 1.24 0.00 0.00 39.78 39.82 3mi9 n ASN 21 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3mi9 s SER 22 N 2.48 5.63 0.25 1.20 1.04 -1.21 -4.90 113.70 118.19 3mi9 s SER 22 Ca 0.61 1.28 -0.04 0.00 0.48 0.00 0.00 55.95 58.28 3mi9 s SER 22 Cb 0.17 -2.16 0.37 0.00 0.10 0.00 0.00 66.02 64.50 3mi9 s SER 22 CO -0.05 -1.24 1.87 -0.65 0.98 0.00 0.00 173.24 174.15 3mi9 h PRO 23 N -0.58 1.04 -0.53 4.02 0.11 -1.80 -1.56 132.00 132.71 3mi9 h PRO 23 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3mi9 h PRO 23 Cb 1.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3mi9 h PRO 23 CO 0.62 0.69 0.03 0.77 -0.21 0.00 0.00 178.00 179.90 3mi9 h SER 24 N 1.07 0.84 -0.49 -2.05 0.02 -1.84 -2.81 113.55 108.29 3mi9 h SER 24 Ca 0.41 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3mi9 h SER 24 Cb 0.17 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3mi9 h SER 24 CO -0.17 0.89 0.25 -0.09 -1.14 0.00 0.00 176.83 176.56 3mi9 h ARG 25 N 0.82 0.48 0.00 3.45 9.65 -1.43 0.89 114.38 128.24 3mi9 h ARG 25 Ca 0.16 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 3mi9 h ARG 25 Cb 0.45 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3mi9 h ARG 25 CO 0.02 0.32 0.00 -2.13 2.80 0.00 0.00 179.97 180.98 3mi9 n ARG 26 N -4.88 0.05 -1.44 0.20 0.63 -0.97 -0.74 116.66 109.51 3mi9 n ARG 26 Ca 0.04 0.53 -0.19 0.00 -0.92 0.00 0.00 57.85 57.31 3mi9 n ARG 26 Cb 0.12 -1.65 0.10 0.00 0.45 0.00 0.00 32.46 31.48 3mi9 n ARG 26 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3mi9 n PHE 27 N -1.75 2.20 -2.56 -0.14 3.72 0.23 -4.94 117.46 114.23 3mi9 n PHE 27 Ca -0.00 -2.16 -0.20 0.00 -0.05 0.00 0.00 57.45 55.03 3mi9 n PHE 27 Cb 0.02 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 3mi9 n PHE 27 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mi9 n GLY 28 N -0.91 -0.51 3.69 1.37 0.00 0.08 -4.97 105.19 103.94 3mi9 n GLY 28 Ca 0.44 0.03 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 3mi9 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mi9 s VAL 29 N -3.03 5.33 0.38 1.61 1.01 -0.74 -5.00 120.40 119.96 3mi9 s VAL 29 Ca 0.07 0.33 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 3mi9 s VAL 29 Cb -0.03 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.70 3mi9 s VAL 29 CO 0.09 0.35 1.08 -1.81 0.00 0.00 0.00 175.10 174.82 3mi9 s ASP 30 N 0.83 6.78 0.14 3.32 1.11 -1.26 -4.00 116.67 123.58 3mi9 s ASP 30 Ca 0.11 2.15 -0.28 0.00 0.18 0.00 0.00 52.55 54.71 3mi9 s ASP 30 Cb -0.13 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.19 3mi9 s ASP 30 CO 0.04 -0.48 1.49 -0.65 1.18 0.00 0.00 175.17 176.74 3mi9 h PRO 31 N 2.74 -0.03 0.00 8.23 0.11 -1.97 0.27 132.00 141.34 3mi9 h PRO 31 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3mi9 h PRO 31 Cb 1.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mi9 h PRO 31 CO 0.63 -0.02 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.83 3mi9 h ASP 32 N -0.03 0.00 -0.14 -2.05 3.32 -1.99 -1.42 116.42 114.11 3mi9 h ASP 32 Ca 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3mi9 h ASP 32 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3mi9 h ASP 32 CO -0.82 0.13 -0.16 0.50 -1.72 0.00 0.00 179.24 177.17 3mi9 h LYS 33 N 0.00 0.35 -0.62 3.56 1.63 -0.99 -2.19 116.57 118.31 3mi9 h LYS 33 Ca -0.00 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.63 3mi9 h LYS 33 Cb 0.36 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 3mi9 h LYS 33 CO 0.02 0.75 0.38 1.49 -3.45 0.00 0.00 179.45 178.64 3mi9 h GLU 34 N -0.04 0.74 -0.42 1.90 4.81 0.08 -1.60 114.58 120.05 3mi9 h GLU 34 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3mi9 h GLU 34 Cb 0.70 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3mi9 h GLU 34 CO 0.04 0.49 0.23 -0.07 -0.73 0.00 0.00 179.01 178.97 3mi9 h LEU 35 N 0.76 0.51 -0.42 1.64 3.38 -1.18 -0.96 115.31 119.05 3mi9 h LEU 35 Ca 0.24 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 3mi9 h LEU 35 Cb 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3mi9 h LEU 35 CO -0.09 0.41 -0.54 0.28 0.09 0.00 0.00 178.44 178.59 3mi9 h SER 36 N 0.58 0.80 -0.65 -0.43 0.02 -0.78 -2.18 113.55 110.91 3mi9 h SER 36 Ca 0.15 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3mi9 h SER 36 Cb 0.02 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 3mi9 h SER 36 CO -0.03 1.18 0.37 1.88 -1.14 0.00 0.00 176.83 179.10 3mi9 h TYR 37 N 0.56 0.69 0.04 3.45 0.05 -0.27 0.48 116.97 121.96 3mi9 h TYR 37 Ca 0.01 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3mi9 h TYR 37 Cb 1.11 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.64 3mi9 h TYR 37 CO 0.06 0.34 -0.02 0.00 -1.05 0.00 0.00 178.16 177.49 3mi9 h ARG 38 N 0.70 -0.05 -0.15 4.88 3.08 -1.13 0.20 114.38 121.90 3mi9 h ARG 38 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 3mi9 h ARG 38 Cb 0.15 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3mi9 h ARG 38 CO -0.16 0.02 0.01 1.96 -1.07 0.00 0.00 179.97 180.73 3mi9 h GLN 39 N -0.11 0.21 -0.04 0.04 4.20 -0.71 0.67 115.11 119.37 3mi9 h GLN 39 Ca -0.01 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.43 3mi9 h GLN 39 Cb 0.10 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 27.85 3mi9 h GLN 39 CO 0.01 0.23 -0.94 1.96 -0.67 0.00 0.00 178.83 179.42 3mi9 h GLN 40 N 0.21 0.70 -0.64 1.46 4.20 0.34 -2.27 115.11 119.11 3mi9 h GLN 40 Ca 0.05 -0.70 -0.02 0.00 0.06 0.00 0.00 58.65 58.04 3mi9 h GLN 40 Cb 0.13 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3mi9 h GLN 40 CO 0.00 1.29 0.33 0.00 -0.67 0.00 0.00 178.83 179.79 3mi9 h ALA 41 N 0.43 0.83 -0.40 3.87 0.00 0.19 -1.25 119.26 122.93 3mi9 h ALA 41 Ca -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3mi9 h ALA 41 Cb 1.59 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3mi9 h ALA 41 CO 0.19 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.82 3mi9 h ALA 42 N 1.16 1.30 -0.18 0.00 0.00 -0.86 0.24 119.26 120.92 3mi9 h ALA 42 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3mi9 h ALA 42 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mi9 h ALA 42 CO -0.03 0.48 -0.09 -0.97 0.00 0.00 0.00 179.25 178.63 3mi9 h ASN 43 N 0.59 0.40 0.16 0.00 -1.24 -1.08 -0.23 115.58 114.18 3mi9 h ASN 43 Ca 0.13 -0.41 0.01 0.00 0.71 0.00 0.00 56.30 56.73 3mi9 h ASN 43 Cb 0.34 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3mi9 h ASN 43 CO 0.01 0.72 -0.19 0.25 -1.29 0.00 0.00 177.43 176.93 3mi9 h LEU 44 N 0.07 -0.52 -1.15 0.34 5.85 -0.87 0.21 115.31 119.23 3mi9 h LEU 44 Ca 0.04 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.97 3mi9 h LEU 44 Cb 0.57 0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 3mi9 h LEU 44 CO 0.03 -0.28 0.61 -0.07 -0.34 0.00 0.00 178.44 178.38 3mi9 h LEU 45 N -0.40 0.75 -0.42 2.25 3.38 -0.86 0.12 115.31 120.14 3mi9 h LEU 45 Ca 0.01 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3mi9 h LEU 45 Cb 0.39 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3mi9 h LEU 45 CO -0.07 0.35 -0.65 -0.61 0.09 0.00 0.00 178.44 177.55 3mi9 h GLN 46 N 0.77 0.55 0.39 1.13 5.75 -0.32 -0.72 115.11 122.66 3mi9 h GLN 46 Ca 0.50 -0.39 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3mi9 h GLN 46 Cb 0.75 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.37 3mi9 h GLN 46 CO -0.27 1.01 -0.19 0.22 -2.65 0.00 0.00 178.83 176.96 3mi9 h ASP 47 N 0.40 -0.44 -0.83 -0.69 -0.00 0.12 -1.74 116.42 113.23 3mi9 h ASP 47 Ca -0.01 -0.13 0.01 0.00 -0.00 0.00 0.00 57.03 56.90 3mi9 h ASP 47 Cb 1.22 0.11 -0.04 0.00 -0.00 0.00 0.00 39.33 40.62 3mi9 h ASP 47 CO 0.12 -0.03 0.55 0.24 -0.00 0.00 0.00 179.24 180.12 3mi9 h MET 48 N -0.95 1.09 -0.35 0.28 2.86 -0.94 -1.58 114.93 115.34 3mi9 h MET 48 Ca -0.05 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3mi9 h MET 48 Cb 0.54 -0.25 -0.08 0.00 0.06 0.00 0.00 31.60 31.88 3mi9 h MET 48 CO 0.09 0.72 -0.17 0.78 1.06 0.00 0.00 176.91 179.39 3mi9 h GLY 49 N 1.12 0.09 1.63 8.32 0.00 -1.08 0.16 103.07 113.31 3mi9 h GLY 49 Ca 0.31 0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.76 3mi9 h GLY 49 CO -0.07 -0.18 -0.29 1.46 0.00 0.00 0.00 176.54 177.46 3mi9 h GLN 50 N -0.11 0.42 0.08 4.80 4.20 -1.01 0.82 115.11 124.30 3mi9 h GLN 50 Ca 0.18 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3mi9 h GLN 50 Cb 0.39 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3mi9 h GLN 50 CO -0.43 0.67 -0.10 0.00 -0.67 0.00 0.00 178.83 178.31 3mi9 h ARG 51 N 0.37 -0.20 0.00 1.46 2.47 -0.19 -1.57 114.38 116.72 3mi9 h ARG 51 Ca 0.05 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3mi9 h ARG 51 Cb 0.70 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3mi9 h ARG 51 CO 0.05 -0.13 0.00 1.28 0.56 0.00 0.00 179.97 181.73 3mi9 n LEU 52 N -5.21 0.45 -2.78 3.04 4.77 0.42 -4.89 117.00 112.79 3mi9 n LEU 52 Ca -0.07 0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 56.30 3mi9 n LEU 52 Cb 0.14 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3mi9 n LEU 52 CO 0.31 -0.37 0.02 -3.20 -1.33 0.00 0.00 177.39 172.82 3mi9 n ASN 53 N -1.97 -5.72 -4.85 -1.43 5.15 0.17 -4.99 115.26 101.63 3mi9 n ASN 53 Ca 0.03 -0.28 -0.32 0.00 -0.60 0.00 0.00 54.58 53.42 3mi9 n ASN 53 Cb 0.25 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 3mi9 n ASN 53 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3mi9 s VAL 54 N -3.14 4.45 0.98 3.44 -7.23 -0.56 -5.01 120.40 113.33 3mi9 s VAL 54 Ca 0.30 0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 61.30 3mi9 s VAL 54 Cb -0.13 -3.70 0.18 0.00 0.56 0.00 0.00 36.38 33.29 3mi9 s VAL 54 CO 0.37 -0.89 1.08 -0.94 -0.31 0.00 0.00 175.10 174.42 3mi9 s SER 55 N -3.61 2.65 0.27 4.85 1.04 -1.26 -4.71 113.70 112.93 3mi9 s SER 55 Ca 0.58 1.52 0.01 0.00 0.48 0.00 0.00 55.95 58.54 3mi9 s SER 55 Cb -0.12 -2.19 0.39 0.00 0.10 0.00 0.00 66.02 64.20 3mi9 s SER 55 CO 0.45 -3.16 1.73 -0.61 0.98 0.00 0.00 173.24 172.62 3mi9 h GLN 56 N -1.91 0.56 -0.91 4.02 5.75 -1.97 -2.38 115.11 118.26 3mi9 h GLN 56 Ca -0.53 -0.20 0.16 0.00 -0.15 0.00 0.00 58.65 57.93 3mi9 h GLN 56 Cb 1.30 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.74 3mi9 h GLN 56 CO 0.53 0.73 0.59 1.25 -2.65 0.00 0.00 178.83 179.27 3mi9 h LEU 57 N 0.50 0.65 -0.24 -2.39 5.85 -1.99 0.10 115.31 117.79 3mi9 h LEU 57 Ca 0.08 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3mi9 h LEU 57 Cb 0.62 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3mi9 h LEU 57 CO 0.04 0.31 -0.10 0.74 -0.34 0.00 0.00 178.44 179.09 3mi9 h THR 58 N 0.68 1.30 -0.42 1.05 2.02 -1.77 -1.71 112.91 114.06 3mi9 h THR 58 Ca 0.47 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 3mi9 h THR 58 Cb 0.79 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3mi9 h THR 58 CO -0.23 0.36 0.06 0.40 0.37 0.00 0.00 175.52 176.48 3mi9 h ILE 59 N 0.23 1.25 -0.41 3.11 2.04 -1.17 -0.83 117.51 121.72 3mi9 h ILE 59 Ca 0.06 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3mi9 h ILE 59 Cb 0.59 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3mi9 h ILE 59 CO 0.03 0.31 0.26 0.78 0.00 0.00 0.00 178.15 179.53 3mi9 h ASN 60 N 0.55 0.49 -0.56 1.72 2.35 -0.80 -0.27 115.58 119.05 3mi9 h ASN 60 Ca 0.13 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3mi9 h ASN 60 Cb 0.39 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3mi9 h ASN 60 CO 0.01 0.39 0.13 0.74 -1.65 0.00 0.00 177.43 177.05 3mi9 h THR 61 N 0.55 1.24 -0.50 2.81 2.02 -1.24 -2.39 112.91 115.40 3mi9 h THR 61 Ca 0.15 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 3mi9 h THR 61 Cb -0.02 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3mi9 h THR 61 CO -0.03 0.34 0.06 0.00 0.37 0.00 0.00 175.52 176.26 3mi9 h ALA 62 N 1.23 1.17 -0.46 6.16 0.00 -0.56 -1.29 119.26 125.50 3mi9 h ALA 62 Ca 0.19 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3mi9 h ALA 62 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3mi9 h ALA 62 CO 0.00 0.55 -0.17 0.82 0.00 0.00 0.00 179.25 180.46 3mi9 h ILE 63 N 0.76 1.27 -0.43 0.00 2.04 -0.73 -1.10 117.51 119.31 3mi9 h ILE 63 Ca 0.16 -1.30 -0.14 0.00 1.00 0.00 0.00 64.86 64.58 3mi9 h ILE 63 Cb 0.37 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3mi9 h ILE 63 CO 0.01 0.45 -0.28 0.58 0.00 0.00 0.00 178.15 178.91 3mi9 h VAL 64 N 0.79 1.27 -0.68 1.67 2.07 -1.17 0.10 116.25 120.30 3mi9 h VAL 64 Ca 0.12 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.26 3mi9 h VAL 64 Cb 0.70 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3mi9 h VAL 64 CO 0.05 0.49 0.37 1.88 0.02 0.00 0.00 177.57 180.38 3mi9 h TYR 65 N 0.78 0.67 0.24 1.57 0.05 -1.03 -0.12 116.97 119.13 3mi9 h TYR 65 Ca 0.09 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 3mi9 h TYR 65 Cb 0.86 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3mi9 h TYR 65 CO 0.06 0.30 -0.12 1.98 -1.05 0.00 0.00 178.16 179.33 3mi9 h MET 66 N 0.66 -0.31 -0.88 4.88 4.05 -0.72 0.10 114.93 122.72 3mi9 h MET 66 Ca 0.32 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.78 3mi9 h MET 66 Cb 0.24 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.06 3mi9 h MET 66 CO -0.21 -0.18 0.58 0.45 0.23 0.00 0.00 176.91 177.78 3mi9 h HIS 67 N -0.36 1.08 -0.15 1.39 3.86 -0.37 -2.18 115.15 118.41 3mi9 h HIS 67 Ca -0.03 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.01 3mi9 h HIS 67 Cb 0.28 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.39 3mi9 h HIS 67 CO -0.05 0.65 -0.66 0.00 0.86 0.00 0.00 177.93 178.73 3mi9 h ARG 68 N 1.13 0.71 -0.53 2.45 3.08 -0.91 -3.21 114.38 117.11 3mi9 h ARG 68 Ca 0.34 -0.56 0.11 0.00 0.07 0.00 0.00 59.98 59.93 3mi9 h ARG 68 Cb -0.04 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.02 3mi9 h ARG 68 CO -0.09 1.18 -0.11 0.35 -1.07 0.00 0.00 179.97 180.22 3mi9 h PHE 69 N 0.41 -0.25 0.00 3.04 3.57 -0.34 -1.00 116.94 122.37 3mi9 h PHE 69 Ca -0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3mi9 h PHE 69 Cb 1.29 0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.22 3mi9 h PHE 69 CO 0.10 -0.21 0.00 0.66 -2.23 0.00 0.00 178.31 176.62 3mi9 n TYR 70 N -5.36 0.00 1.01 0.41 4.01 -0.86 -0.76 117.16 115.61 3mi9 n TYR 70 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 3mi9 n TYR 70 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 3mi9 n TYR 70 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3mi9 n MET 71 N -0.53 0.62 -0.01 -0.72 2.81 -0.38 -4.48 117.12 114.43 3mi9 n MET 71 Ca 0.01 -0.50 -0.03 0.00 -1.81 0.00 0.00 57.70 55.37 3mi9 n MET 71 Cb 0.00 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.01 3mi9 n MET 71 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3mi9 n ILE 72 N -0.75 0.16 -4.08 2.02 2.08 -0.53 -4.55 119.36 113.72 3mi9 n ILE 72 Ca 0.07 -0.05 -0.22 0.00 0.56 0.00 0.00 62.75 63.11 3mi9 n ILE 72 Cb 0.40 -1.06 -0.04 0.00 -0.75 0.00 0.00 39.64 38.19 3mi9 n ILE 72 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3mi9 s GLN 73 N -2.05 3.06 -0.06 0.38 -1.52 0.06 -4.82 119.66 114.71 3mi9 s GLN 73 Ca -0.04 -0.96 -0.06 0.00 -1.95 0.00 0.00 55.36 52.35 3mi9 s GLN 73 Cb 0.01 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.11 3mi9 s GLN 73 CO 0.06 0.42 0.19 0.45 -0.25 0.00 0.00 175.29 176.15 3mi9 s SER 74 N -3.81 6.42 0.56 5.90 0.15 -1.26 -4.25 113.70 117.42 3mi9 s SER 74 Ca 0.33 0.47 0.38 0.00 0.70 0.00 0.00 55.95 57.82 3mi9 s SER 74 Cb -0.08 -2.06 2.06 0.00 -1.71 0.00 0.00 66.02 64.22 3mi9 s SER 74 CO 0.26 0.33 2.16 -0.26 1.20 0.00 0.00 173.24 176.93 3mi9 h PHE 75 N 4.43 0.00 0.36 3.44 0.04 -1.91 -1.34 116.94 121.95 3mi9 h PHE 75 Ca -0.52 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.23 3mi9 h PHE 75 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3mi9 h PHE 75 CO 0.72 0.00 -0.17 1.15 -0.60 0.00 0.00 178.31 179.40 3mi9 h THR 76 N 0.00 0.00 0.00 -1.55 2.02 -1.93 -3.27 112.91 108.18 3mi9 h THR 76 Ca 0.00 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3mi9 h THR 76 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3mi9 h THR 76 CO 0.00 0.00 -0.07 -0.61 0.37 0.00 0.00 175.52 175.21 3mi9 h GLN 77 N -0.59 0.00 -2.92 6.66 4.15 -1.87 -3.39 115.11 117.16 3mi9 h GLN 77 Ca -0.05 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.79 3mi9 h GLN 77 Cb 0.37 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.66 3mi9 h GLN 77 CO 0.08 0.07 -0.79 -0.06 -1.93 0.00 0.00 178.83 176.20 3mi9 s PHE 78 N -3.82 1.23 0.19 3.99 0.08 -0.54 -5.04 117.98 114.07 3mi9 s PHE 78 Ca -0.00 -1.78 -0.33 0.00 0.12 0.00 0.00 56.93 54.93 3mi9 s PHE 78 Cb 0.10 -1.36 -0.14 0.00 -0.57 0.00 0.00 43.02 41.06 3mi9 s PHE 78 CO 0.55 -0.82 1.55 -2.30 -0.10 0.00 0.00 175.22 174.10 3mi9 n PRO 79 N 4.21 2.19 -0.26 0.24 -0.02 -1.23 -4.42 135.00 135.71 3mi9 n PRO 79 Ca 0.06 0.79 0.26 0.00 -2.02 0.00 0.00 63.50 62.58 3mi9 n PRO 79 Cb 0.38 -2.54 0.62 0.00 -0.02 0.00 0.00 33.50 31.94 3mi9 n PRO 79 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3mi9 h GLY 80 N 5.55 0.53 2.00 -1.23 0.00 -1.93 0.27 103.07 108.26 3mi9 h GLY 80 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3mi9 h GLY 80 CO 0.86 -0.04 0.00 0.70 0.00 0.00 0.00 176.54 178.06 3mi9 n ASN 81 N -4.40 0.27 -0.10 0.19 4.13 -1.26 -1.60 115.26 112.48 3mi9 n ASN 81 Ca 0.22 0.55 -0.17 0.00 1.68 0.00 0.00 54.58 56.86 3mi9 n ASN 81 Cb 0.93 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 38.48 3mi9 n ASN 81 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mi9 n SER 82 N -1.78 1.88 -0.34 6.41 7.64 0.89 -4.44 113.62 123.87 3mi9 n SER 82 Ca 0.04 0.45 0.06 0.00 1.01 0.00 0.00 58.87 60.43 3mi9 n SER 82 Cb 0.25 -0.88 0.24 0.00 -1.01 0.00 0.00 64.21 62.81 3mi9 n SER 82 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3mi9 h VAL 83 N -1.00 0.98 0.03 0.44 2.07 -1.44 -3.09 116.25 114.25 3mi9 h VAL 83 Ca -0.28 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3mi9 h VAL 83 Cb 1.11 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3mi9 h VAL 83 CO -0.17 0.18 -0.36 0.00 0.02 0.00 0.00 177.57 177.24 3mi9 h ALA 84 N 1.52 -0.57 -0.54 1.67 0.00 -1.51 0.11 119.26 119.94 3mi9 h ALA 84 Ca 0.45 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.44 3mi9 h ALA 84 Cb 0.38 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 3mi9 h ALA 84 CO -0.21 -0.89 -0.06 -1.35 0.00 0.00 0.00 179.25 176.74 3mi9 h PRO 85 N -0.54 0.06 -0.16 0.00 0.11 -1.76 -0.61 132.00 129.11 3mi9 h PRO 85 Ca 0.05 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3mi9 h PRO 85 Cb 0.60 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3mi9 h PRO 85 CO -0.27 0.04 0.09 0.00 -0.21 0.00 0.00 178.00 177.65 3mi9 h ALA 86 N 1.51 0.20 -0.76 -0.75 0.00 -1.50 -0.37 119.26 117.59 3mi9 h ALA 86 Ca 0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.16 3mi9 h ALA 86 Cb 0.42 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3mi9 h ALA 86 CO -0.50 -0.27 0.49 0.00 0.00 0.00 0.00 179.25 178.96 3mi9 h ALA 87 N 0.98 0.99 -0.51 0.00 0.00 -0.20 -0.46 119.26 120.08 3mi9 h ALA 87 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3mi9 h ALA 87 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3mi9 h ALA 87 CO -0.01 0.30 -0.07 1.25 0.00 0.00 0.00 179.25 180.72 3mi9 h LEU 88 N 0.95 0.89 0.21 0.00 5.85 -0.94 0.18 115.31 122.45 3mi9 h LEU 88 Ca 0.30 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3mi9 h LEU 88 Cb -0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3mi9 h LEU 88 CO -0.10 0.99 -0.10 0.15 -0.34 0.00 0.00 178.44 179.04 3mi9 h PHE 89 N 0.82 -0.26 -0.65 1.25 -0.00 -0.28 -0.67 116.94 117.15 3mi9 h PHE 89 Ca 0.14 -0.01 0.05 0.00 -0.00 0.00 0.00 57.97 58.16 3mi9 h PHE 89 Cb 0.58 0.09 -0.05 0.00 -0.00 0.00 0.00 35.95 36.57 3mi9 h PHE 89 CO 0.03 -0.13 0.37 1.25 -0.00 0.00 0.00 178.31 179.83 3mi9 h LEU 90 N -0.33 0.55 -0.81 0.59 5.85 -0.90 -2.76 115.31 117.51 3mi9 h LEU 90 Ca -0.03 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3mi9 h LEU 90 Cb 0.25 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3mi9 h LEU 90 CO 0.05 0.36 0.09 0.00 -0.34 0.00 0.00 178.44 178.60 3mi9 h ALA 91 N 1.33 1.01 -0.83 1.25 0.00 -0.36 0.08 119.26 121.74 3mi9 h ALA 91 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3mi9 h ALA 91 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3mi9 h ALA 91 CO -0.17 0.63 0.39 0.00 0.00 0.00 0.00 179.25 180.09 3mi9 h ALA 92 N 1.16 1.11 0.37 0.00 0.00 -0.93 0.40 119.26 121.37 3mi9 h ALA 92 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mi9 h ALA 92 Cb 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3mi9 h ALA 92 CO 0.01 0.66 -0.18 0.87 0.00 0.00 0.00 179.25 180.61 3mi9 h LYS 93 N 1.19 -0.48 -0.73 0.00 1.57 -1.16 0.23 116.57 117.18 3mi9 h LYS 93 Ca 0.28 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 3mi9 h LYS 93 Cb 0.14 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 3mi9 h LYS 93 CO -0.03 -0.22 0.42 0.28 -0.57 0.00 0.00 179.45 179.33 3mi9 h VAL 94 N -0.69 0.98 -0.25 0.50 2.07 -0.54 -1.26 116.25 117.06 3mi9 h VAL 94 Ca -0.05 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3mi9 h VAL 94 Cb 0.49 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3mi9 h VAL 94 CO 0.08 0.14 0.07 -0.62 0.02 0.00 0.00 177.57 177.26 3mi9 n GLU 95 N -4.74 2.16 -3.66 1.57 -0.58 0.14 -4.91 120.64 110.60 3mi9 n GLU 95 Ca 0.10 -1.13 -0.21 0.00 -0.42 0.00 0.00 57.16 55.50 3mi9 n GLU 95 Cb 0.19 -1.68 0.04 0.00 -0.57 0.00 0.00 31.44 29.42 3mi9 n GLU 95 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3mi9 n GLU 96 N 0.14 -5.35 -2.74 3.49 -0.58 -0.48 -4.91 120.64 110.21 3mi9 n GLU 96 Ca 0.13 0.67 -0.09 0.00 -0.42 0.00 0.00 57.16 57.45 3mi9 n GLU 96 Cb 0.69 -5.35 0.09 0.00 -0.57 0.00 0.00 31.44 26.30 3mi9 n GLU 96 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3mi9 n GLN 97 N -4.30 1.13 -1.73 3.49 6.02 0.74 -5.04 117.38 117.70 3mi9 n GLN 97 Ca -0.27 -2.14 -0.38 0.00 -0.01 0.00 0.00 57.00 54.20 3mi9 n GLN 97 Cb 0.66 -0.58 0.05 0.00 1.02 0.00 0.00 30.24 31.39 3mi9 n GLN 97 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3mi9 n PRO 98 N -0.21 1.54 -4.87 -1.09 -0.04 -0.85 -4.56 135.00 124.91 3mi9 n PRO 98 Ca 0.03 0.57 -0.27 0.00 -0.04 0.00 0.00 63.50 63.79 3mi9 n PRO 98 Cb 0.79 -2.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.58 3mi9 n PRO 98 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mi9 s LYS 99 N -2.91 1.62 0.74 0.54 -0.14 -1.26 -4.95 119.74 113.38 3mi9 s LYS 99 Ca 0.73 -0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 54.28 3mi9 s LYS 99 Cb -0.42 -1.68 0.05 0.00 -1.68 0.00 0.00 37.83 34.10 3mi9 s LYS 99 CO 0.48 0.44 1.24 0.15 -0.76 0.00 0.00 175.35 176.90 3mi9 s LYS 100 N -0.92 2.01 0.44 1.68 1.02 -1.26 -4.85 119.74 117.86 3mi9 s LYS 100 Ca 0.09 1.87 0.11 0.00 0.02 0.00 0.00 55.97 58.06 3mi9 s LYS 100 Cb -0.09 -1.80 0.96 0.00 -0.52 0.00 0.00 37.83 36.37 3mi9 s LYS 100 CO 0.01 -1.96 2.03 1.25 -0.92 0.00 0.00 175.35 175.76 3mi9 h LEU 101 N -0.32 0.23 -0.23 3.17 5.85 -2.00 -2.47 115.31 119.55 3mi9 h LEU 101 Ca -0.48 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.00 3mi9 h LEU 101 Cb 1.31 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.29 3mi9 h LEU 101 CO 0.49 0.25 -0.80 -0.33 -0.34 0.00 0.00 178.44 177.71 3mi9 h GLU 102 N 0.26 0.63 0.01 1.25 5.08 -1.99 -2.34 114.58 117.49 3mi9 h GLU 102 Ca 0.07 -0.54 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 3mi9 h GLU 102 Cb 0.12 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3mi9 h GLU 102 CO -0.00 1.16 -0.10 1.25 -1.00 0.00 0.00 179.01 180.31 3mi9 h HIS 103 N 0.42 -0.27 -0.94 4.33 2.76 -1.81 -0.58 115.15 119.07 3mi9 h HIS 103 Ca -0.05 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3mi9 h HIS 103 Cb 1.41 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.45 3mi9 h HIS 103 CO 0.07 -0.16 0.57 0.28 -1.30 0.00 0.00 177.93 177.39 3mi9 h VAL 104 N -0.19 1.26 -0.10 5.26 2.07 -1.49 -1.44 116.25 121.61 3mi9 h VAL 104 Ca 0.03 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 3mi9 h VAL 104 Cb 0.23 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3mi9 h VAL 104 CO -0.10 0.27 -0.32 0.40 0.02 0.00 0.00 177.57 177.84 3mi9 h ILE 105 N 1.29 1.26 0.49 4.57 2.04 -1.04 -0.29 117.51 125.84 3mi9 h ILE 105 Ca 0.34 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3mi9 h ILE 105 Cb -0.07 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3mi9 h ILE 105 CO -0.06 0.37 -0.24 0.50 0.00 0.00 0.00 178.15 178.72 3mi9 h LYS 106 N 0.17 -0.63 -0.76 2.37 3.64 -0.53 -2.20 116.57 118.62 3mi9 h LYS 106 Ca 0.02 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.62 3mi9 h LYS 106 Cb 0.65 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.50 3mi9 h LYS 106 CO 0.05 -0.42 0.20 0.28 -2.27 0.00 0.00 179.45 177.28 3mi9 h VAL 107 N -1.12 0.49 -0.61 2.00 2.07 -1.24 0.11 116.25 117.95 3mi9 h VAL 107 Ca -0.07 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3mi9 h VAL 107 Cb 0.50 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3mi9 h VAL 107 CO 0.11 0.05 0.38 0.00 0.02 0.00 0.00 177.57 178.13 3mi9 h ALA 108 N 1.63 0.79 -0.57 1.67 0.00 -1.09 -1.13 119.26 120.56 3mi9 h ALA 108 Ca 0.44 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 3mi9 h ALA 108 Cb 0.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3mi9 h ALA 108 CO -0.53 0.14 0.01 1.25 0.00 0.00 0.00 179.25 180.13 3mi9 h HIS 109 N 0.76 1.08 -0.82 0.00 6.17 -0.22 0.23 115.15 122.36 3mi9 h HIS 109 Ca 0.24 -0.18 0.02 0.00 0.71 0.00 0.00 60.37 61.16 3mi9 h HIS 109 Cb -0.01 -0.28 -0.05 0.00 2.52 0.00 0.00 27.41 29.59 3mi9 h HIS 109 CO -0.05 0.97 0.53 1.15 0.71 0.00 0.00 177.93 181.24 3mi9 h THR 110 N 0.88 1.16 -0.00 6.26 2.02 -0.52 0.59 112.91 123.30 3mi9 h THR 110 Ca 0.16 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3mi9 h THR 110 Cb 0.53 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3mi9 h THR 110 CO 0.03 0.19 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 3mi9 n LEU 112 N -4.82 0.20 -3.00 0.00 4.77 0.04 -4.35 117.00 109.85 3mi9 n LEU 112 Ca -0.09 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.12 3mi9 n LEU 112 Cb 0.28 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3mi9 n LEU 112 CO 0.34 0.01 -0.05 1.41 -1.33 0.00 0.00 177.39 177.76 3mi9 n HIS 113 N -1.59 -1.53 0.19 -1.77 8.25 0.21 -4.97 115.22 114.01 3mi9 n HIS 113 Ca 0.06 -2.86 0.06 0.00 -0.26 0.00 0.00 57.72 54.73 3mi9 n HIS 113 Cb 0.35 0.48 0.55 0.00 1.12 0.00 0.00 29.99 32.50 3mi9 n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3mi9 h PRO 114 N 3.73 0.12 0.01 -0.41 0.11 -1.63 -3.28 132.00 130.66 3mi9 h PRO 114 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3mi9 h PRO 114 Cb 0.97 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3mi9 h PRO 114 CO 0.39 0.13 -0.00 1.96 -0.21 0.00 0.00 178.00 180.26 3mi9 h GLN 115 N 0.13 -0.01 -6.11 1.05 1.08 -1.92 -3.47 115.11 105.87 3mi9 h GLN 115 Ca 0.03 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.97 3mi9 h GLN 115 Cb 0.07 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 27.65 3mi9 h GLN 115 CO -0.00 -0.01 -0.48 0.39 -0.95 0.00 0.00 178.83 177.78 3mi9 n GLU 116 N -2.07 -2.07 -4.33 1.46 1.02 -1.24 -5.03 120.64 108.38 3mi9 n GLU 116 Ca -0.00 -0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 56.31 3mi9 n GLU 116 Cb 0.00 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.83 3mi9 n GLU 116 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mi9 s SER 117 N -1.91 2.70 0.01 1.62 0.15 -1.26 -5.00 113.70 110.01 3mi9 s SER 117 Ca 0.38 -0.85 -0.37 0.00 0.70 0.00 0.00 55.95 55.81 3mi9 s SER 117 Cb -0.06 -0.16 -0.16 0.00 -1.71 0.00 0.00 66.02 63.93 3mi9 s SER 117 CO 0.39 -0.02 1.46 0.18 1.20 0.00 0.00 173.24 176.45 3mi9 n LEU 118 N 0.34 1.99 -4.75 3.45 4.32 -1.26 -4.90 117.00 116.17 3mi9 n LEU 118 Ca -0.13 1.10 -0.36 0.00 -0.02 0.00 0.00 56.01 56.59 3mi9 n LEU 118 Cb 0.57 -1.21 0.03 0.00 -1.62 0.00 0.00 43.42 41.19 3mi9 n LEU 118 CO 0.29 -0.82 0.85 -2.84 -1.22 0.00 0.00 177.39 173.65 3mi9 s PRO 119 N 1.28 3.04 0.02 3.23 0.02 -1.26 -4.85 135.00 136.48 3mi9 s PRO 119 Ca 0.87 1.86 -0.36 0.00 0.02 0.00 0.00 61.00 63.39 3mi9 s PRO 119 Cb -0.95 -1.98 -0.14 0.00 0.02 0.00 0.00 34.50 31.45 3mi9 s PRO 119 CO 0.50 -1.16 1.62 -3.47 -0.33 0.00 0.00 177.00 174.16 3mi9 n ASP 120 N -1.47 2.73 0.00 2.53 2.03 -1.26 -4.73 116.55 116.38 3mi9 n ASP 120 Ca 0.13 1.06 0.01 0.00 0.52 0.00 0.00 54.79 56.51 3mi9 n ASP 120 Cb 0.49 -1.32 0.04 0.00 -0.72 0.00 0.00 41.12 39.61 3mi9 n ASP 120 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3mi9 n THR 121 N 3.79 0.00 0.00 5.18 -2.24 -1.26 0.59 114.28 120.34 3mi9 n THR 121 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3mi9 n THR 121 Cb 0.24 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 3mi9 n THR 121 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mi9 n ARG 122 N -0.64 0.26 -0.86 -0.78 1.74 -1.26 -4.75 116.66 110.38 3mi9 n ARG 122 Ca 0.01 -0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 3mi9 n ARG 122 Cb 0.00 -1.00 0.15 0.00 -1.02 0.00 0.00 32.46 30.60 3mi9 n ARG 122 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mi9 s SER 123 N -2.04 3.21 0.05 0.55 1.04 0.20 -4.85 113.70 111.86 3mi9 s SER 123 Ca -0.00 2.23 -0.35 0.00 0.48 0.00 0.00 55.95 58.30 3mi9 s SER 123 Cb 0.00 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 63.36 3mi9 s SER 123 CO 0.03 -2.91 1.47 -0.33 0.98 0.00 0.00 173.24 172.48 3mi9 h GLU 124 N -1.52 -1.19 -0.98 4.02 4.39 -1.97 -2.78 114.58 114.54 3mi9 h GLU 124 Ca -0.44 0.08 0.30 0.00 0.34 0.00 0.00 59.36 59.64 3mi9 h GLU 124 Cb 1.27 0.27 -0.18 0.00 -0.10 0.00 0.00 28.75 30.01 3mi9 h GLU 124 CO 0.43 -0.79 0.13 0.00 -1.16 0.00 0.00 179.01 177.63 3mi9 n ALA 125 N -2.67 0.61 -0.36 3.43 0.00 -1.26 -0.35 120.51 119.92 3mi9 n ALA 125 Ca -0.16 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.33 3mi9 n ALA 125 Cb 0.49 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3mi9 n ALA 125 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3mi9 n TYR 126 N -5.42 0.00 -0.46 0.00 9.36 -1.13 -2.04 117.16 117.48 3mi9 n TYR 126 Ca 0.26 0.00 0.38 0.00 3.32 0.00 0.00 57.90 61.86 3mi9 n TYR 126 Cb 0.87 -0.32 0.62 0.00 -0.63 0.00 0.00 39.34 39.88 3mi9 n TYR 126 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3mi9 n LEU 127 N -1.46 0.14 0.44 2.98 4.77 -0.80 0.61 117.00 123.67 3mi9 n LEU 127 Ca 0.00 1.13 -0.19 0.00 -0.03 0.00 0.00 56.01 56.92 3mi9 n LEU 127 Cb 0.00 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 3mi9 n LEU 127 CO 0.00 -1.21 0.57 -0.61 -1.33 0.00 0.00 177.39 174.81 3mi9 h GLN 128 N 0.00 -1.11 -0.74 3.23 5.75 -0.45 -2.39 115.11 119.40 3mi9 h GLN 128 Ca 0.79 0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 59.36 3mi9 h GLN 128 Cb 2.69 0.25 -0.04 0.00 1.07 0.00 0.00 27.48 31.46 3mi9 h GLN 128 CO -0.31 -0.74 0.45 -0.56 -2.65 0.00 0.00 178.83 175.02 3mi9 h GLN 129 N -1.15 1.00 -0.90 1.69 3.07 0.77 0.06 115.11 119.64 3mi9 h GLN 129 Ca -0.11 -0.09 0.26 0.00 0.09 0.00 0.00 58.65 58.81 3mi9 h GLN 129 Cb 0.91 -0.21 -0.04 0.00 0.08 0.00 0.00 27.48 28.22 3mi9 h GLN 129 CO 0.14 0.70 0.65 0.28 0.09 0.00 0.00 178.83 180.69 3mi9 h VAL 130 N 1.01 0.55 0.02 1.86 2.07 -1.23 0.36 116.25 120.90 3mi9 h VAL 130 Ca 0.27 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.73 3mi9 h VAL 130 Cb -0.05 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3mi9 h VAL 130 CO -0.05 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 178.89 3mi9 h GLN 131 N 0.02 0.11 -0.46 1.57 1.08 -0.52 -3.04 115.11 113.88 3mi9 h GLN 131 Ca 0.43 -0.15 0.07 0.00 -1.45 0.00 0.00 58.65 57.55 3mi9 h GLN 131 Cb 1.70 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 29.15 3mi9 h GLN 131 CO -0.01 0.97 0.31 -0.44 -0.95 0.00 0.00 178.83 178.71 3mi9 h ASP 132 N -0.68 0.30 0.30 1.46 3.32 0.94 0.21 116.42 122.27 3mi9 h ASP 132 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3mi9 h ASP 132 Cb 1.06 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3mi9 h ASP 132 CO 0.04 0.19 -0.15 0.25 -1.72 0.00 0.00 179.24 177.86 3mi9 h LEU 133 N 0.34 -0.34 -0.55 1.55 6.46 -0.57 -0.40 115.31 121.79 3mi9 h LEU 133 Ca 0.20 -0.18 0.11 0.00 -0.12 0.00 0.00 57.88 57.90 3mi9 h LEU 133 Cb 0.37 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 40.29 3mi9 h LEU 133 CO -0.05 0.02 -0.05 0.58 -0.62 0.00 0.00 178.44 178.32 3mi9 h VAL 134 N -0.75 0.51 -0.09 1.05 2.07 -1.11 0.34 116.25 118.28 3mi9 h VAL 134 Ca -0.04 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3mi9 h VAL 134 Cb 0.50 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3mi9 h VAL 134 CO 0.07 0.01 -0.17 0.40 0.02 0.00 0.00 177.57 177.90 3mi9 h ILE 135 N 0.07 0.56 -0.59 4.57 2.04 -0.51 -2.25 117.51 121.40 3mi9 h ILE 135 Ca 0.28 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.20 3mi9 h ILE 135 Cb 0.43 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3mi9 h ILE 135 CO -0.50 0.00 0.29 0.25 0.00 0.00 0.00 178.15 178.18 3mi9 h LEU 136 N -0.24 0.38 -0.56 1.44 5.85 0.03 -1.53 115.31 120.68 3mi9 h LEU 136 Ca 0.08 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.95 3mi9 h LEU 136 Cb 0.36 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3mi9 h LEU 136 CO -0.23 0.25 0.09 -0.08 -0.34 0.00 0.00 178.44 178.13 3mi9 h GLU 137 N 0.53 0.21 -0.62 1.25 4.81 -0.45 0.63 114.58 120.95 3mi9 h GLU 137 Ca 0.28 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3mi9 h GLU 137 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3mi9 h GLU 137 CO -0.21 0.14 0.24 0.77 -0.73 0.00 0.00 179.01 179.22 3mi9 h SER 138 N 0.22 0.82 -0.36 1.04 0.02 -0.74 -0.50 113.55 114.05 3mi9 h SER 138 Ca 0.29 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3mi9 h SER 138 Cb 0.43 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3mi9 h SER 138 CO -0.40 0.74 -0.19 0.40 -1.14 0.00 0.00 176.83 176.24 3mi9 h ILE 139 N 0.89 1.27 0.02 3.27 2.04 -0.61 -0.61 117.51 123.78 3mi9 h ILE 139 Ca 0.21 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 3mi9 h ILE 139 Cb 0.18 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3mi9 h ILE 139 CO -0.02 0.44 -0.01 0.40 0.00 0.00 0.00 178.15 178.97 3mi9 h ILE 140 N 0.74 1.14 -0.68 -0.67 2.04 -0.29 0.25 117.51 120.04 3mi9 h ILE 140 Ca 0.11 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3mi9 h ILE 140 Cb 0.72 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 3mi9 h ILE 140 CO 0.06 0.13 0.34 -0.07 0.00 0.00 0.00 178.15 178.60 3mi9 h LEU 141 N -0.25 0.45 -0.48 1.44 3.38 -0.98 0.10 115.31 118.98 3mi9 h LEU 141 Ca -0.00 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3mi9 h LEU 141 Cb 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3mi9 h LEU 141 CO 0.01 0.27 -0.51 1.56 0.09 0.00 0.00 178.44 179.85 3mi9 h GLN 142 N 0.59 0.66 -0.59 1.13 4.20 -0.96 0.56 115.11 120.71 3mi9 h GLN 142 Ca 0.33 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.56 3mi9 h GLN 142 Cb 0.32 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3mi9 h GLN 142 CO -0.25 1.02 0.07 1.15 -0.67 0.00 0.00 178.83 180.15 3mi9 h THR 143 N 0.52 1.26 0.00 -0.54 2.02 0.25 -1.66 112.91 114.75 3mi9 h THR 143 Ca 0.02 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3mi9 h THR 143 Cb 1.07 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3mi9 h THR 143 CO 0.10 0.38 0.00 0.18 0.37 0.00 0.00 175.52 176.55 3mi9 n LEU 144 N -4.28 0.00 -2.15 2.58 4.77 0.29 -4.86 117.00 113.35 3mi9 n LEU 144 Ca 0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3mi9 n LEU 144 Cb 0.29 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3mi9 n LEU 144 CO 0.42 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.91 3mi9 n GLY 145 N 0.65 0.06 2.40 -0.72 0.00 -0.63 -1.52 105.19 105.43 3mi9 n GLY 145 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3mi9 n GLY 145 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mi9 n PHE 146 N -3.19 -0.71 -3.07 1.61 3.72 0.16 -4.95 117.46 111.03 3mi9 n PHE 146 Ca -0.18 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.78 3mi9 n PHE 146 Cb 0.61 -3.61 -0.05 0.00 -0.94 0.00 0.00 39.48 35.49 3mi9 n PHE 146 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3mi9 s GLU 147 N -4.67 3.12 -0.18 -1.08 2.12 -0.58 -4.88 118.70 112.55 3mi9 s GLU 147 Ca 0.00 -0.94 0.18 0.00 0.36 0.00 0.00 54.97 54.57 3mi9 s GLU 147 Cb 0.00 -4.16 -0.26 0.00 0.26 0.00 0.00 34.13 29.97 3mi9 s GLU 147 CO 0.00 -1.42 0.12 1.28 -0.54 0.00 0.00 175.26 174.69 3mi9 n LEU 148 N 6.55 0.02 -4.65 2.70 4.77 -1.26 -4.93 117.00 120.20 3mi9 n LEU 148 Ca -0.06 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 3mi9 n LEU 148 Cb 0.45 0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.97 3mi9 n LEU 148 CO 0.58 0.46 1.09 -0.89 -1.33 0.00 0.00 177.39 177.29 3mi9 s THR 149 N -2.58 4.27 -0.03 -5.08 2.01 -1.26 -5.02 115.64 107.95 3mi9 s THR 149 Ca -0.10 1.51 0.06 0.00 0.31 0.00 0.00 61.69 63.47 3mi9 s THR 149 Cb 0.07 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 3mi9 s THR 149 CO 0.84 -0.24 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.69 3mi9 s ILE 150 N 3.73 2.51 -0.16 1.82 -1.09 -1.26 -5.11 121.20 121.65 3mi9 s ILE 150 Ca 0.54 -0.93 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 3mi9 s ILE 150 Cb -0.20 -1.93 -0.04 0.00 -1.58 0.00 0.00 42.46 38.72 3mi9 s ILE 150 CO 0.16 0.58 0.06 -0.62 -1.23 0.00 0.00 174.94 173.90 3mi9 s ASP 151 N -0.66 5.62 0.09 3.58 2.15 -1.26 -5.05 116.67 121.14 3mi9 s ASP 151 Ca 0.10 0.13 0.07 0.00 0.43 0.00 0.00 52.55 53.28 3mi9 s ASP 151 Cb -0.10 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 3mi9 s ASP 151 CO -0.00 0.23 -0.12 -1.00 -0.17 0.00 0.00 175.17 174.11 3mi9 s HIS 152 N 0.01 2.69 0.28 -5.34 3.76 -1.26 -4.74 115.29 110.68 3mi9 s HIS 152 Ca 0.06 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 3mi9 s HIS 152 Cb -0.12 -1.44 0.61 0.00 1.11 0.00 0.00 32.58 32.74 3mi9 s HIS 152 CO 0.01 0.39 1.75 -1.35 -0.85 0.00 0.00 174.74 174.69 3mi9 h PRO 153 N 3.85 0.60 -0.99 8.40 0.11 -1.93 -2.53 132.00 139.51 3mi9 h PRO 153 Ca -0.49 -0.04 0.36 0.00 0.11 0.00 0.00 66.00 65.94 3mi9 h PRO 153 Cb 1.17 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 3mi9 h PRO 153 CO 0.50 0.40 0.42 0.45 -0.21 0.00 0.00 178.00 179.56 3mi9 h HIS 154 N 0.62 0.63 -0.56 0.65 3.86 -1.92 0.13 115.15 118.56 3mi9 h HIS 154 Ca 0.50 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.74 3mi9 h HIS 154 Cb 0.77 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 3mi9 h HIS 154 CO -0.08 -0.39 0.27 1.15 0.86 0.00 0.00 177.93 179.74 3mi9 h THR 155 N 0.08 1.20 0.00 2.45 2.02 -1.85 -2.40 112.91 114.41 3mi9 h THR 155 Ca 0.75 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 67.23 3mi9 h THR 155 Cb 1.84 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3mi9 h THR 155 CO -0.76 0.23 -0.63 0.45 0.37 0.00 0.00 175.52 175.18 3mi9 h HIS 156 N 0.76 0.00 0.45 3.16 3.86 -0.97 -3.09 115.15 119.32 3mi9 h HIS 156 Ca 0.19 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3mi9 h HIS 156 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3mi9 h HIS 156 CO -0.00 0.63 -0.22 0.28 0.86 0.00 0.00 177.93 179.48 3mi9 h VAL 157 N 0.00 0.53 -0.45 2.45 2.07 -0.86 -1.81 116.25 118.19 3mi9 h VAL 157 Ca -0.01 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3mi9 h VAL 157 Cb 1.38 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3mi9 h VAL 157 CO 0.08 0.05 0.29 0.58 0.02 0.00 0.00 177.57 178.59 3mi9 h VAL 158 N -0.77 1.10 -0.88 2.57 2.07 -1.54 -0.03 116.25 118.77 3mi9 h VAL 158 Ca -0.06 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3mi9 h VAL 158 Cb 0.54 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 3mi9 h VAL 158 CO 0.10 0.11 0.57 0.50 0.02 0.00 0.00 177.57 178.87 3mi9 h LYS 159 N 0.59 0.92 -0.02 1.57 3.64 -1.55 -0.79 116.57 120.93 3mi9 h LYS 159 Ca 0.17 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 3mi9 h LYS 159 Cb -0.06 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3mi9 h LYS 159 CO -0.04 0.61 -0.62 0.00 -2.27 0.00 0.00 179.45 177.12 3mi9 h THR 161 N -0.02 1.22 -0.39 0.00 1.35 -0.73 -0.23 112.91 114.11 3mi9 h THR 161 Ca -0.07 -0.87 -0.11 0.00 -0.55 0.00 0.00 66.41 64.80 3mi9 h THR 161 Cb 1.32 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3mi9 h THR 161 CO 0.12 0.30 -0.20 1.56 -0.25 0.00 0.00 175.52 177.06 3mi9 h GLN 162 N 0.61 0.83 -0.50 4.72 1.08 -1.21 -0.23 115.11 120.41 3mi9 h GLN 162 Ca 0.13 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 56.92 3mi9 h GLN 162 Cb 0.37 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3mi9 h GLN 162 CO 0.01 1.00 0.15 1.25 -0.95 0.00 0.00 178.83 180.30 3mi9 h LEU 163 N 0.63 0.68 -2.03 1.46 5.85 -0.71 -2.73 115.31 118.46 3mi9 h LEU 163 Ca 0.09 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3mi9 h LEU 163 Cb 0.76 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3mi9 h LEU 163 CO 0.06 0.65 0.00 1.33 -0.34 0.00 0.00 178.44 180.14 3mi9 n VAL 164 N -4.31 0.37 -3.65 1.05 0.24 -0.18 -4.96 118.33 106.90 3mi9 n VAL 164 Ca 0.04 -0.63 -0.24 0.00 -2.04 0.00 0.00 64.34 61.46 3mi9 n VAL 164 Cb 0.19 0.94 0.07 0.00 -1.47 0.00 0.00 33.84 33.57 3mi9 n VAL 164 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3mi9 n ARG 165 N 1.25 -7.20 -0.72 7.34 1.74 -0.57 -4.95 116.66 113.54 3mi9 n ARG 165 Ca 0.18 0.78 -0.32 0.00 -0.77 0.00 0.00 57.85 57.72 3mi9 n ARG 165 Cb 0.55 -5.77 0.15 0.00 -1.02 0.00 0.00 32.46 26.37 3mi9 n ARG 165 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mi9 n ALA 166 N -4.81 -1.90 -1.48 7.54 0.00 -0.20 -4.94 120.51 114.70 3mi9 n ALA 166 Ca -0.03 -0.64 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 3mi9 n ALA 166 Cb 0.57 -1.97 0.05 0.00 0.00 0.00 0.00 19.45 18.11 3mi9 n ALA 166 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mi9 s SER 167 N -2.30 5.13 0.32 0.00 1.04 -1.26 -4.80 113.70 111.84 3mi9 s SER 167 Ca 0.62 1.82 0.05 0.00 0.48 0.00 0.00 55.95 58.92 3mi9 s SER 167 Cb -0.22 -2.53 0.67 0.00 0.10 0.00 0.00 66.02 64.05 3mi9 s SER 167 CO 0.63 -1.61 1.86 0.11 0.98 0.00 0.00 173.24 175.21 3mi9 h LYS 168 N -0.39 0.83 -0.49 4.02 1.57 -1.99 0.09 116.57 120.21 3mi9 h LYS 168 Ca -0.45 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.16 3mi9 h LYS 168 Cb 1.23 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3mi9 h LYS 168 CO 0.55 0.55 -0.17 0.22 -0.57 0.00 0.00 179.45 180.03 3mi9 h ASP 169 N 0.86 0.97 0.25 0.86 3.58 -1.99 -1.27 116.42 119.68 3mi9 h ASP 169 Ca 0.46 -0.34 -0.15 0.00 0.42 0.00 0.00 57.03 57.41 3mi9 h ASP 169 Cb 0.55 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 3mi9 h ASP 169 CO -0.22 1.11 -0.60 0.25 -2.88 0.00 0.00 179.24 176.90 3mi9 h LEU 170 N 0.84 0.40 -0.48 2.28 5.85 -1.69 -1.23 115.31 121.28 3mi9 h LEU 170 Ca 0.12 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3mi9 h LEU 170 Cb 0.72 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3mi9 h LEU 170 CO 0.06 0.91 0.22 0.00 -0.34 0.00 0.00 178.44 179.28 3mi9 h ALA 171 N 1.10 0.61 -0.33 1.25 0.00 -0.77 -1.18 119.26 119.95 3mi9 h ALA 171 Ca -0.01 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 3mi9 h ALA 171 Cb 1.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mi9 h ALA 171 CO 0.10 0.18 -0.39 0.37 0.00 0.00 0.00 179.25 179.51 3mi9 h GLN 172 N 0.63 0.84 -0.64 0.00 -0.00 -1.12 -2.37 115.11 112.45 3mi9 h GLN 172 Ca 0.16 -0.47 -0.03 0.00 -0.00 0.00 0.00 58.65 58.32 3mi9 h GLN 172 Cb 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.61 3mi9 h GLN 172 CO -0.02 1.11 0.29 1.15 0.00 0.00 0.00 178.83 181.35 3mi9 h THR 173 N 0.62 1.23 -0.28 2.39 2.02 -1.09 0.62 112.91 118.42 3mi9 h THR 173 Ca 0.04 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 3mi9 h THR 173 Cb 0.98 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3mi9 h THR 173 CO 0.09 0.27 0.12 0.28 0.37 0.00 0.00 175.52 176.65 3mi9 h SER 174 N 0.89 0.38 -0.69 4.18 0.02 -1.19 -0.02 113.55 117.11 3mi9 h SER 174 Ca 0.22 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3mi9 h SER 174 Cb 0.15 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3mi9 h SER 174 CO -0.02 0.42 0.41 0.22 -1.14 0.00 0.00 176.83 176.72 3mi9 h TYR 175 N 0.31 0.92 -0.73 3.45 3.20 -1.18 -1.66 116.97 121.28 3mi9 h TYR 175 Ca 0.09 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3mi9 h TYR 175 Cb 0.16 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3mi9 h TYR 175 CO -0.01 0.63 0.36 0.35 -1.64 0.00 0.00 178.16 177.84 3mi9 h PHE 176 N 0.94 1.03 -0.02 -3.82 3.57 -0.52 -2.29 116.94 115.84 3mi9 h PHE 176 Ca 0.25 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 3mi9 h PHE 176 Cb -0.02 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3mi9 h PHE 176 CO -0.01 0.75 -0.55 0.52 -2.23 0.00 0.00 178.31 176.79 3mi9 h MET 177 N 1.03 0.05 -0.62 1.11 2.86 -0.54 -2.24 114.93 116.59 3mi9 h MET 177 Ca 0.25 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3mi9 h MET 177 Cb 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3mi9 h MET 177 CO -0.03 0.59 0.35 0.00 1.06 0.00 0.00 176.91 178.88 3mi9 h ALA 178 N 1.41 0.80 -0.38 6.32 0.00 -0.74 0.82 119.26 127.49 3mi9 h ALA 178 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3mi9 h ALA 178 Cb 0.98 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3mi9 h ALA 178 CO 0.07 0.30 0.20 1.15 0.00 0.00 0.00 179.25 180.98 3mi9 h THR 179 N 0.85 1.15 0.00 0.00 2.02 -1.27 -2.23 112.91 113.43 3mi9 h THR 179 Ca 0.22 -0.40 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 3mi9 h THR 179 Cb 0.02 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3mi9 h THR 179 CO -0.04 0.16 -0.23 0.78 0.37 0.00 0.00 175.52 176.56 3mi9 h ASN 180 N 0.48 0.00 -0.38 4.18 2.35 -1.00 -1.25 115.58 119.95 3mi9 h ASN 180 Ca 0.13 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3mi9 h ASN 180 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3mi9 h ASN 180 CO -0.02 0.23 0.02 0.77 -1.65 0.00 0.00 177.43 176.78 3mi9 h SER 181 N 0.00 0.72 -0.19 5.81 4.64 -0.24 0.39 113.55 124.68 3mi9 h SER 181 Ca -0.00 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.03 3mi9 h SER 181 Cb 0.43 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3mi9 h SER 181 CO 0.03 0.77 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.31 3mi9 h LEU 182 N 0.71 0.66 0.08 5.97 3.38 -0.97 -2.55 115.31 122.59 3mi9 h LEU 182 Ca 0.14 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 3mi9 h LEU 182 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3mi9 h LEU 182 CO 0.01 1.09 -0.04 0.45 0.09 0.00 0.00 178.44 180.05 3mi9 h HIS 183 N 0.26 -0.10 0.00 1.13 3.86 -0.94 -3.39 115.15 115.98 3mi9 h HIS 183 Ca 0.01 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 3mi9 h HIS 183 Cb 0.98 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 3mi9 h HIS 183 CO 0.09 0.19 -1.85 1.28 0.86 0.00 0.00 177.93 178.51 3mi9 n LEU 184 N -5.00 0.32 -4.77 2.43 4.77 0.14 -4.03 117.00 110.85 3mi9 n LEU 184 Ca -0.08 0.14 -0.29 0.00 -0.03 0.00 0.00 56.01 55.74 3mi9 n LEU 184 Cb 0.18 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3mi9 n LEU 184 CO 0.33 0.15 -0.18 0.42 -1.33 0.00 0.00 177.39 176.78 3mi9 s THR 185 N -3.07 1.61 -0.30 -5.08 -4.23 -0.96 -4.92 115.64 98.69 3mi9 s THR 185 Ca -0.06 -1.83 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 3mi9 s THR 185 Cb 0.10 -2.44 0.49 0.00 1.34 0.00 0.00 72.50 71.99 3mi9 s THR 185 CO 0.85 0.00 1.43 0.35 -0.54 0.00 0.00 174.62 176.71 3mi9 n THR 186 N -1.32 2.56 0.20 3.99 -2.24 -1.26 -4.62 114.28 111.59 3mi9 n THR 186 Ca -0.10 -2.99 0.06 0.00 -2.27 0.00 0.00 64.05 58.75 3mi9 n THR 186 Cb 0.66 -0.43 0.55 0.00 -2.10 0.00 0.00 70.33 69.01 3mi9 n THR 186 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3mi9 h PHE 187 N 1.16 0.09 0.00 4.78 0.04 -1.95 -0.67 116.94 120.39 3mi9 h PHE 187 Ca 0.23 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 3mi9 h PHE 187 Cb 1.53 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.65 3mi9 h PHE 187 CO 1.01 0.13 0.00 0.66 -0.60 0.00 0.00 178.31 179.51 3mi9 h SER 188 N 0.09 0.00 -0.07 2.17 4.64 -1.84 0.14 113.55 118.68 3mi9 h SER 188 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3mi9 h SER 188 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3mi9 h SER 188 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3mi9 n LEU 189 N -2.50 2.86 0.00 5.97 4.77 -0.27 -4.63 117.00 123.21 3mi9 n LEU 189 Ca -0.01 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3mi9 n LEU 189 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3mi9 n LEU 189 CO 0.16 0.51 -0.37 0.00 -1.33 0.00 0.00 177.39 176.35 3mi9 n GLN 190 N 1.23 0.51 -4.49 3.23 6.02 -0.11 -0.27 117.38 123.50 3mi9 n GLN 190 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.87 3mi9 n GLN 190 Cb 0.54 -0.87 -0.13 0.00 1.02 0.00 0.00 30.24 30.80 3mi9 n GLN 190 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mi9 s TYR 191 N -1.74 1.81 0.59 1.08 2.02 0.29 -4.73 117.35 116.67 3mi9 s TYR 191 Ca 0.00 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 3mi9 s TYR 191 Cb 0.00 -1.04 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3mi9 s TYR 191 CO 0.00 0.15 1.19 0.95 -1.57 0.00 0.00 175.55 176.27 3mi9 s THR 192 N -0.96 2.72 0.38 -0.71 -4.23 -1.26 -4.54 115.64 107.05 3mi9 s THR 192 Ca 0.07 0.44 0.19 0.00 -1.18 0.00 0.00 61.69 61.22 3mi9 s THR 192 Cb -0.09 -3.16 0.39 0.00 1.34 0.00 0.00 72.50 70.97 3mi9 s THR 192 CO 0.03 -0.10 1.70 -0.65 -0.54 0.00 0.00 174.62 175.06 3mi9 h PRO 193 N 0.88 0.31 -0.63 3.99 0.11 -1.93 0.06 132.00 134.79 3mi9 h PRO 193 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3mi9 h PRO 193 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3mi9 h PRO 193 CO 0.55 0.21 0.12 -1.35 -0.21 0.00 0.00 178.00 177.31 3mi9 h PRO 194 N 0.32 1.03 -0.31 1.05 0.11 -1.90 -0.22 132.00 132.09 3mi9 h PRO 194 Ca 0.69 -0.27 -0.05 0.00 0.11 0.00 0.00 66.00 66.48 3mi9 h PRO 194 Cb 1.78 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.76 3mi9 h PRO 194 CO -0.43 0.95 -0.02 0.28 -0.21 0.00 0.00 178.00 178.57 3mi9 h VAL 195 N 0.94 1.26 -0.58 3.15 2.07 -1.36 -2.00 116.25 119.74 3mi9 h VAL 195 Ca 0.19 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 3mi9 h VAL 195 Cb 0.41 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3mi9 h VAL 195 CO 0.01 0.32 0.32 0.58 0.02 0.00 0.00 177.57 178.82 3mi9 h VAL 196 N 0.34 1.17 -0.70 2.57 2.07 -1.18 -1.24 116.25 119.28 3mi9 h VAL 196 Ca 0.08 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3mi9 h VAL 196 Cb 0.46 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3mi9 h VAL 196 CO 0.02 0.19 0.37 0.00 0.02 0.00 0.00 177.57 178.17 3mi9 h ALA 197 N 1.55 0.91 -0.78 1.67 0.00 -0.65 -1.57 119.26 120.39 3mi9 h ALA 197 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mi9 h ALA 197 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3mi9 h ALA 197 CO -0.03 0.44 0.33 0.00 0.00 0.00 0.00 179.25 179.98 3mi9 h VAL 199 N 1.12 1.13 -0.02 0.00 2.07 -0.78 0.96 116.25 120.73 3mi9 h VAL 199 Ca 0.26 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3mi9 h VAL 199 Cb 0.19 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3mi9 h VAL 199 CO -0.02 0.14 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 3mi9 h ILE 201 N 0.03 1.71 -0.63 0.00 2.04 -0.91 -2.52 117.51 117.23 3mi9 h ILE 201 Ca 0.01 -2.38 0.13 0.00 1.00 0.00 0.00 64.86 63.61 3mi9 h ILE 201 Cb 0.30 3.32 -0.10 0.00 -0.74 0.00 0.00 36.82 39.61 3mi9 h ILE 201 CO 0.02 0.63 0.08 -0.74 0.00 0.00 0.00 178.15 178.14 3mi9 h HIS 202 N -0.87 0.11 0.01 1.37 2.76 -0.67 0.65 115.15 118.50 3mi9 h HIS 202 Ca -0.04 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3mi9 h HIS 202 Cb 1.14 0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.16 3mi9 h HIS 202 CO 0.26 -0.10 -0.00 1.25 -1.30 0.00 0.00 177.93 178.03 3mi9 h LEU 203 N 0.19 -0.01 -1.25 0.26 5.85 -1.12 -1.95 115.31 117.29 3mi9 h LEU 203 Ca 0.34 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.97 3mi9 h LEU 203 Cb 0.54 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 3mi9 h LEU 203 CO -0.48 0.16 0.55 0.00 -0.34 0.00 0.00 178.44 178.33 3mi9 h ALA 204 N 0.81 1.65 -0.07 1.25 0.00 -0.70 -1.33 119.26 120.86 3mi9 h ALA 204 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3mi9 h ALA 204 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mi9 h ALA 204 CO 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 3mi9 h LYS 206 N 0.12 0.53 0.00 0.00 1.57 -0.50 0.11 116.57 118.41 3mi9 h LYS 206 Ca 0.02 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3mi9 h LYS 206 Cb 0.52 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3mi9 h LYS 206 CO 0.04 1.01 -0.02 -1.49 -0.57 0.00 0.00 179.45 178.42 3mi9 h TRP 207 N 0.16 0.00 -0.26 -1.35 6.55 -1.24 -1.34 115.95 118.46 3mi9 h TRP 207 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 3mi9 h TRP 207 Cb 1.05 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 3mi9 h TRP 207 CO 0.10 0.02 0.00 -1.13 -1.05 0.00 0.00 178.44 176.39 3mi9 n SER 208 N -3.22 3.48 -4.01 -3.49 3.41 -1.02 -4.97 113.62 103.79 3mi9 n SER 208 Ca -0.02 -2.71 -0.31 0.00 -0.26 0.00 0.00 58.87 55.57 3mi9 n SER 208 Cb 0.18 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 3mi9 n SER 208 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mi9 n ASN 209 N -0.28 -0.46 -4.64 4.04 4.05 -0.51 -4.89 115.26 112.56 3mi9 n ASN 209 Ca 0.18 -1.04 -0.35 0.00 0.45 0.00 0.00 54.58 53.82 3mi9 n ASN 209 Cb 0.73 -1.32 -0.10 0.00 1.23 0.00 0.00 39.78 40.33 3mi9 n ASN 209 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 3mi9 s TRP 210 N -3.45 3.23 -0.60 1.20 -0.00 0.28 -5.02 118.94 114.58 3mi9 s TRP 210 Ca 0.38 0.08 0.01 0.00 -0.00 0.00 0.00 56.10 56.57 3mi9 s TRP 210 Cb -0.22 -2.00 0.15 0.00 -0.00 0.00 0.00 33.47 31.40 3mi9 s TRP 210 CO 0.84 0.22 0.38 -2.00 -0.00 0.00 0.00 176.95 176.40 3mi9 s GLU 211 N 0.06 2.33 -0.34 5.86 2.56 -1.26 -4.60 118.70 123.30 3mi9 s GLU 211 Ca 0.05 -2.73 -0.42 0.00 0.00 0.00 0.00 54.97 51.87 3mi9 s GLU 211 Cb -0.12 -3.52 -0.17 0.00 2.00 0.00 0.00 34.13 32.32 3mi9 s GLU 211 CO 0.01 -1.16 1.75 -0.89 -0.56 0.00 0.00 175.26 174.41 3mi9 n ILE 212 N 3.04 0.23 -1.68 -3.70 5.41 -1.26 -4.86 119.36 116.54 3mi9 n ILE 212 Ca 0.09 -0.05 -0.41 0.00 1.00 0.00 0.00 62.75 63.38 3mi9 n ILE 212 Cb 0.35 -1.06 0.02 0.00 -0.71 0.00 0.00 39.64 38.23 3mi9 n ILE 212 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3mi9 n PRO 213 N 5.31 1.73 -2.65 0.38 -0.02 -1.26 -4.78 135.00 133.72 3mi9 n PRO 213 Ca 0.29 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 3mi9 n PRO 213 Cb 0.08 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 3mi9 n PRO 213 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mi9 s VAL 214 N -1.24 4.68 0.18 -1.45 1.01 -1.26 -4.59 120.40 117.73 3mi9 s VAL 214 Ca 0.63 2.00 -0.33 0.00 0.00 0.00 0.00 61.98 64.28 3mi9 s VAL 214 Cb -0.51 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.44 3mi9 s VAL 214 CO 0.56 -0.13 1.33 -1.20 0.00 0.00 0.00 175.10 175.67 3mi9 n SER 215 N 5.98 2.09 0.00 3.32 7.64 -0.99 -4.60 113.62 127.04 3mi9 n SER 215 Ca 0.11 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3mi9 n SER 215 Cb 0.47 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3mi9 n SER 215 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3mi9 n THR 216 N 2.08 0.00 -4.00 0.44 -2.24 -1.26 -1.16 114.28 108.14 3mi9 n THR 216 Ca 0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.58 3mi9 n THR 216 Cb 0.26 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 3mi9 n THR 216 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3mi9 n ASP 217 N 0.00 -2.88 0.00 3.42 4.64 -1.26 -4.78 116.55 115.69 3mi9 n ASP 217 Ca 0.00 -0.98 0.00 0.00 -1.38 0.00 0.00 54.79 52.43 3mi9 n ASP 217 Cb 0.00 -1.17 0.00 0.00 -1.04 0.00 0.00 41.12 38.91 3mi9 n ASP 217 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3mi9 n GLY 218 N -1.83 2.01 3.80 0.27 0.00 -0.31 -5.17 105.19 103.96 3mi9 n GLY 218 Ca -0.09 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3mi9 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mi9 s LYS 219 N 4.21 2.71 0.28 1.61 1.02 -1.26 -4.79 119.74 123.52 3mi9 s LYS 219 Ca 0.00 1.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.97 3mi9 s LYS 219 Cb 0.00 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.30 3mi9 s LYS 219 CO 0.00 -1.28 0.54 -1.01 -0.92 0.00 0.00 175.35 172.68 3mi9 s HIS 220 N -3.00 3.48 0.34 3.18 3.76 -1.26 -2.36 115.29 119.43 3mi9 s HIS 220 Ca 0.59 0.60 0.14 0.00 -0.15 0.00 0.00 55.06 56.24 3mi9 s HIS 220 Cb -0.15 -2.07 1.11 0.00 1.11 0.00 0.00 32.58 32.58 3mi9 s HIS 220 CO 0.55 0.19 1.61 0.11 -0.85 0.00 0.00 174.74 176.35 3mi9 h TRP 221 N 1.66 0.68 0.00 1.40 5.08 -1.86 0.18 115.95 123.09 3mi9 h TRP 221 Ca -0.48 0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.54 3mi9 h TRP 221 Cb 1.19 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 3mi9 h TRP 221 CO 0.57 -0.35 0.00 0.11 -1.28 0.00 0.00 178.44 177.49 3mi9 h TRP 222 N 0.12 0.00 0.00 0.12 0.09 -1.94 -1.82 115.95 112.52 3mi9 h TRP 222 Ca 0.75 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.73 3mi9 h TRP 222 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.04 3mi9 h TRP 222 CO -0.11 0.00 0.00 0.39 0.09 0.00 0.00 178.44 178.81 3mi9 n GLU 223 N -2.74 0.00 -0.21 0.12 1.02 0.63 -1.46 120.64 118.01 3mi9 n GLU 223 Ca 0.01 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 3mi9 n GLU 223 Cb 0.27 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.45 3mi9 n GLU 223 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3mi9 n TYR 224 N -1.51 0.54 0.00 -0.32 4.02 -0.68 -4.35 117.16 114.86 3mi9 n TYR 224 Ca 0.04 -0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3mi9 n TYR 224 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3mi9 n TYR 224 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3mi9 n VAL 225 N 1.20 0.00 -3.73 -0.72 0.31 -0.53 -4.98 118.33 109.87 3mi9 n VAL 225 Ca 0.19 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 3mi9 n VAL 225 Cb 0.52 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.84 3mi9 n VAL 225 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3mi9 s ASP 226 N -3.96 -0.45 0.10 4.52 -1.08 -0.58 -4.88 116.67 110.34 3mi9 s ASP 226 Ca 0.00 0.85 0.26 0.00 -0.52 0.00 0.00 52.55 53.14 3mi9 s ASP 226 Cb 0.00 0.85 0.66 0.00 -1.46 0.00 0.00 42.92 42.97 3mi9 s ASP 226 CO 0.00 -0.15 1.57 0.00 0.52 0.00 0.00 175.17 177.11 3mi9 n ALA 227 N 3.01 2.77 0.01 3.66 0.00 -1.26 -3.91 120.51 124.79 3mi9 n ALA 227 Ca -0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 3mi9 n ALA 227 Cb 0.57 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 3mi9 n ALA 227 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mi9 n THR 228 N -1.92 1.10 -1.66 0.00 -2.24 -1.26 -4.95 114.28 103.35 3mi9 n THR 228 Ca 0.05 -0.69 -0.45 0.00 -2.27 0.00 0.00 64.05 60.69 3mi9 n THR 228 Cb 0.40 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 3mi9 n THR 228 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3mi9 n VAL 229 N -2.81 1.18 -4.34 2.28 0.31 -1.25 -5.01 118.33 108.68 3mi9 n VAL 229 Ca -0.12 -0.30 -0.20 0.00 -0.01 0.00 0.00 64.34 63.72 3mi9 n VAL 229 Cb 0.85 -1.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 3mi9 n VAL 229 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3mi9 s THR 230 N -0.30 1.80 0.34 2.52 -4.23 -1.26 -4.90 115.64 109.60 3mi9 s THR 230 Ca 0.66 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3mi9 s THR 230 Cb -0.66 -1.96 0.19 0.00 1.34 0.00 0.00 72.50 71.41 3mi9 s THR 230 CO 0.53 -0.47 1.91 0.25 -0.54 0.00 0.00 174.62 176.30 3mi9 h LEU 231 N 2.85 0.54 -0.42 4.79 5.85 -1.99 -1.79 115.31 125.15 3mi9 h LEU 231 Ca -0.40 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.32 3mi9 h LEU 231 Cb 1.22 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 3mi9 h LEU 231 CO 0.57 0.54 0.05 -0.33 -0.34 0.00 0.00 178.44 178.93 3mi9 h GLU 232 N 0.58 0.16 -0.53 1.25 3.07 -2.00 -0.77 114.58 116.34 3mi9 h GLU 232 Ca 0.13 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3mi9 h GLU 232 Cb 0.22 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3mi9 h GLU 232 CO -0.00 0.11 0.17 1.25 -1.40 0.00 0.00 179.01 179.14 3mi9 h LEU 233 N 0.17 0.77 -0.61 1.33 5.85 -1.77 -2.40 115.31 118.65 3mi9 h LEU 233 Ca 0.21 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3mi9 h LEU 233 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3mi9 h LEU 233 CO -0.30 0.77 0.40 -0.07 -0.34 0.00 0.00 178.44 178.90 3mi9 h LEU 234 N 0.73 0.70 -0.35 2.25 3.38 -0.62 -0.99 115.31 120.41 3mi9 h LEU 234 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3mi9 h LEU 234 Cb 0.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3mi9 h LEU 234 CO -0.01 0.51 0.19 0.44 0.09 0.00 0.00 178.44 179.67 3mi9 h ASP 235 N 0.83 0.44 0.66 -0.43 3.32 -1.00 -1.00 116.42 119.24 3mi9 h ASP 235 Ca 0.22 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 3mi9 h ASP 235 Cb -0.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3mi9 h ASP 235 CO -0.05 0.41 -0.42 -0.08 -1.72 0.00 0.00 179.24 177.38 3mi9 h GLU 236 N 0.45 -0.99 -0.82 3.56 4.81 -1.12 0.73 114.58 121.21 3mi9 h GLU 236 Ca 0.12 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3mi9 h GLU 236 Cb 0.06 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3mi9 h GLU 236 CO -0.02 -0.66 0.54 -0.07 -0.73 0.00 0.00 179.01 178.07 3mi9 h LEU 237 N -1.02 0.85 -0.73 1.64 3.38 -1.20 0.92 115.31 119.15 3mi9 h LEU 237 Ca -0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3mi9 h LEU 237 Cb 0.83 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3mi9 h LEU 237 CO 0.07 0.58 0.17 0.74 0.09 0.00 0.00 178.44 180.09 3mi9 h THR 238 N 0.98 1.26 -0.49 0.22 2.02 -0.99 0.10 112.91 116.02 3mi9 h THR 238 Ca 0.33 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3mi9 h THR 238 Cb 0.08 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3mi9 h THR 238 CO -0.10 0.38 0.25 -0.74 0.37 0.00 0.00 175.52 175.68 3mi9 h HIS 239 N 1.08 0.69 -0.52 3.16 -0.00 0.71 -1.68 115.15 118.60 3mi9 h HIS 239 Ca 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 3mi9 h HIS 239 Cb 0.38 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 3mi9 h HIS 239 CO 0.03 0.53 0.26 1.49 -0.00 0.00 0.00 177.93 180.25 3mi9 h GLU 240 N 0.65 0.74 -0.87 5.26 4.81 -0.43 -1.15 114.58 123.60 3mi9 h GLU 240 Ca 0.17 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3mi9 h GLU 240 Cb 0.09 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3mi9 h GLU 240 CO -0.02 0.60 0.45 0.35 -0.73 0.00 0.00 179.01 179.65 3mi9 h PHE 241 N 0.69 1.21 -0.52 0.92 -0.00 -0.61 -1.30 116.94 117.33 3mi9 h PHE 241 Ca 0.18 -0.04 -0.11 0.00 -0.00 0.00 0.00 57.97 58.00 3mi9 h PHE 241 Cb 0.09 -0.38 -0.02 0.00 -0.00 0.00 0.00 35.95 35.64 3mi9 h PHE 241 CO -0.01 0.85 -0.10 -0.07 -0.00 0.00 0.00 178.31 178.98 3mi9 h LEU 242 N 1.22 0.96 -0.14 0.59 3.38 -0.94 -1.80 115.31 118.59 3mi9 h LEU 242 Ca 0.30 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3mi9 h LEU 242 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3mi9 h LEU 242 CO -0.04 1.08 0.08 1.56 0.09 0.00 0.00 178.44 181.20 3mi9 h GLN 243 N 0.86 0.19 -0.85 1.13 4.20 -0.60 -1.16 115.11 118.89 3mi9 h GLN 243 Ca 0.14 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.92 3mi9 h GLN 243 Cb 0.65 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.32 3mi9 h GLN 243 CO 0.04 0.19 0.49 0.82 -0.67 0.00 0.00 178.83 179.70 3mi9 h ILE 244 N 0.14 0.92 -0.39 2.54 2.04 -1.13 -0.12 117.51 121.51 3mi9 h ILE 244 Ca 0.05 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3mi9 h ILE 244 Cb 0.05 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 3mi9 h ILE 244 CO -0.01 0.15 -0.00 -0.07 0.00 0.00 0.00 178.15 178.22 3mi9 h LEU 245 N 0.83 0.59 0.00 1.44 3.38 -0.92 -1.35 115.31 119.29 3mi9 h LEU 245 Ca 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3mi9 h LEU 245 Cb 0.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3mi9 h LEU 245 CO -0.24 0.67 0.00 1.21 0.09 0.00 0.00 178.44 180.16 3mi9 n GLU 246 N -4.25 0.36 -0.22 1.13 4.07 -0.13 -2.93 120.64 118.67 3mi9 n GLU 246 Ca 0.02 0.07 0.07 0.00 -0.06 0.00 0.00 57.16 57.26 3mi9 n GLU 246 Cb 0.27 -1.50 0.20 0.00 -0.06 0.00 0.00 31.44 30.35 3mi9 n GLU 246 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3mi9 n LYS 247 N -1.26 2.74 -2.24 5.31 5.02 -0.51 -4.67 118.16 122.55 3mi9 n LYS 247 Ca 0.11 -2.20 -0.31 0.00 -2.02 0.00 0.00 58.31 53.90 3mi9 n LYS 247 Cb 0.17 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 3mi9 n LYS 247 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mi9 s THR 248 N -1.01 4.68 0.07 -0.18 -4.23 -1.15 -4.95 115.64 108.87 3mi9 s THR 248 Ca 0.30 0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 61.57 3mi9 s THR 248 Cb 0.16 -3.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 3mi9 s THR 248 CO 0.21 -0.89 1.01 -2.65 -0.54 0.00 0.00 174.62 171.76 3mi9 n PRO 249 N -2.14 -0.19 0.00 3.99 -0.02 -1.26 -0.80 135.00 134.58 3mi9 n PRO 249 Ca 0.05 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3mi9 n PRO 249 Cb 0.54 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3mi9 n PRO 249 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mi9 n ASN 250 N -4.02 0.17 -2.46 2.55 3.02 -1.26 -2.95 115.26 110.31 3mi9 n ASN 250 Ca 0.01 -1.03 -0.16 0.00 -0.03 0.00 0.00 54.58 53.37 3mi9 n ASN 250 Cb 0.11 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3mi9 n ASN 250 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mi9 n ARG 251 N -0.26 2.63 0.00 3.52 1.74 0.02 -5.16 116.66 119.15 3mi9 n ARG 251 Ca 0.00 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.17 3mi9 n ARG 251 Cb 0.04 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 3mi9 n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3mi9 n LEU 252 N -0.51 0.00 0.00 0.55 4.77 -1.15 -4.58 117.00 116.08 3mi9 n LEU 252 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3mi9 n LEU 252 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3mi9 n LEU 252 CO 0.28 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.49