#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsm n PRO 66 N 0.00 0.00 -1.91 3.52 -0.05 -1.26 -4.97 135.00 130.33 1xsm n PRO 66 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 63.50 63.20 1xsm n PRO 66 Cb 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 33.50 33.48 1xsm n PRO 66 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1xsm n SER 67 N 0.00 5.18 0.30 3.54 3.41 -1.26 -4.83 113.62 119.97 1xsm n SER 67 Ca 0.00 -3.76 0.16 0.00 -0.26 0.00 0.00 58.87 55.02 1xsm n SER 67 Cb 0.00 -0.42 0.97 0.00 -0.26 0.00 0.00 64.21 64.50 1xsm n SER 67 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xsm h VAL 68 N 2.02 0.44 -0.03 -3.33 2.07 -1.94 0.66 116.25 116.14 1xsm h VAL 68 Ca 0.39 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.91 1xsm h VAL 68 Cb 1.45 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1xsm h VAL 68 CO 0.84 0.00 0.03 1.05 0.02 0.00 0.00 177.57 179.52 1xsm h GLU 69 N 0.00 0.00 0.00 1.57 4.11 -1.93 0.41 114.58 118.74 1xsm h GLU 69 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1xsm h GLU 69 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xsm h GLU 69 CO 0.00 0.00 -0.79 -0.44 0.07 0.00 0.00 179.01 177.85 1xsm h ASP 70 N 0.00 0.00 -3.48 3.06 3.32 -1.28 -3.45 116.42 114.59 1xsm h ASP 70 Ca 0.02 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.46 1xsm h ASP 70 Cb 0.08 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.52 1xsm h ASP 70 CO -0.00 0.11 0.33 -1.61 -1.72 0.00 0.00 179.24 176.34 1xsm s GLU 71 N -3.25 3.89 0.33 3.56 0.41 0.11 -4.91 118.70 118.85 1xsm s GLU 71 Ca 0.01 0.44 0.07 0.00 -0.41 0.00 0.00 54.97 55.08 1xsm s GLU 71 Cb 0.08 -3.75 0.74 0.00 -1.78 0.00 0.00 34.13 29.42 1xsm s GLU 71 CO 0.76 -0.69 1.85 -1.35 -0.49 0.00 0.00 175.26 175.34 1xsm h PRO 72 N 8.22 0.76 0.00 0.39 0.11 -1.84 2.17 132.00 141.81 1xsm h PRO 72 Ca -0.25 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 1xsm h PRO 72 Cb 1.10 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1xsm h PRO 72 CO 0.87 0.50 -0.61 -0.07 -0.21 0.00 0.00 178.00 178.48 1xsm h LEU 73 N 0.78 0.00 0.00 2.35 4.07 -1.92 -3.37 115.31 117.22 1xsm h LEU 73 Ca 0.48 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.24 1xsm h LEU 73 Cb 0.70 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.40 1xsm h LEU 73 CO -0.25 0.61 -1.75 0.18 -1.08 0.00 0.00 178.44 176.15 1xsm n LEU 74 N -3.40 0.22 -4.37 1.67 4.77 -0.51 -0.44 117.00 114.94 1xsm n LEU 74 Ca 0.01 -0.01 -0.55 0.00 -0.03 0.00 0.00 56.01 55.43 1xsm n LEU 74 Cb 0.72 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.93 1xsm n LEU 74 CO 0.41 0.30 1.75 -2.11 -1.33 0.00 0.00 177.39 176.42 1xsm n ARG 75 N -2.44 0.60 -0.35 3.23 1.85 0.72 -4.49 116.66 115.78 1xsm n ARG 75 Ca -0.18 0.17 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1xsm n ARG 75 Cb 0.85 -2.03 -0.04 0.00 -1.05 0.00 0.00 32.46 30.20 1xsm n ARG 75 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1xsm n GLU 76 N 7.80 0.00 -0.47 2.89 1.02 -1.26 -4.09 120.64 126.53 1xsm n GLU 76 Ca 0.47 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1xsm n GLU 76 Cb 0.11 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1xsm n GLU 76 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xsm n ASN 77 N 5.57 0.00 -0.33 1.62 4.05 -1.26 -4.90 115.26 120.01 1xsm n ASN 77 Ca 0.14 -1.34 0.10 0.00 0.45 0.00 0.00 54.58 53.92 1xsm n ASN 77 Cb 0.15 -0.07 0.30 0.00 1.23 0.00 0.00 39.78 41.39 1xsm n ASN 77 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1xsm h PRO 78 N 0.00 0.84 -3.07 1.20 0.11 -1.82 -3.41 132.00 125.85 1xsm h PRO 78 Ca 0.00 -0.05 -0.36 0.00 0.11 0.00 0.00 66.00 65.70 1xsm h PRO 78 Cb 1.14 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1xsm h PRO 78 CO 0.00 0.55 -0.45 -2.13 -0.21 0.00 0.00 178.00 175.76 1xsm n ARG 79 N -4.62 -1.82 0.00 1.05 0.63 -1.26 -4.86 116.66 105.79 1xsm n ARG 79 Ca 0.19 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 1xsm n ARG 79 Cb 0.42 -5.52 0.00 0.00 0.45 0.00 0.00 32.46 27.82 1xsm n ARG 79 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1xsm n ARG 80 N -2.88 3.86 -0.17 -0.14 0.63 -1.26 -4.98 116.66 111.71 1xsm n ARG 80 Ca -0.21 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.72 1xsm n ARG 80 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 1xsm n ARG 80 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1xsm n PHE 81 N 0.00 0.00 -3.74 -0.14 -0.00 -1.26 -5.08 117.46 107.23 1xsm n PHE 81 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.24 1xsm n PHE 81 Cb 0.00 -0.14 -0.18 0.00 -0.00 0.00 0.00 39.48 39.17 1xsm n PHE 81 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1xsm s VAL 82 N -1.46 0.13 -0.58 -2.13 -7.23 -1.26 -5.12 120.40 102.77 1xsm s VAL 82 Ca 0.00 0.26 0.23 0.00 -1.81 0.00 0.00 61.98 60.66 1xsm s VAL 82 Cb 0.00 -0.33 -0.09 0.00 0.56 0.00 0.00 36.38 36.52 1xsm s VAL 82 CO 0.00 0.21 1.05 0.52 -0.31 0.00 0.00 175.10 176.57 1xsm n VAL 83 N 5.09 0.21 0.04 1.32 0.31 -1.26 -4.65 118.33 119.40 1xsm n VAL 83 Ca -0.08 -0.27 -0.17 0.00 -0.01 0.00 0.00 64.34 63.82 1xsm n VAL 83 Cb 0.50 0.13 -0.14 0.00 -0.91 0.00 0.00 33.84 33.42 1xsm n VAL 83 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1xsm h PHE 84 N 0.00 0.39 -1.43 3.52 3.57 -2.04 -3.40 116.94 117.55 1xsm h PHE 84 Ca 0.00 -0.28 -0.43 0.00 3.53 0.00 0.00 57.97 60.79 1xsm h PHE 84 Cb 0.75 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1xsm h PHE 84 CO 0.00 1.41 1.53 -0.35 -2.23 0.00 0.00 178.31 178.67 1xsm n PRO 85 N -3.39 0.95 -2.79 6.41 -0.04 -1.26 -4.83 135.00 130.04 1xsm n PRO 85 Ca -0.20 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 62.76 1xsm n PRO 85 Cb 1.05 -3.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.10 1xsm n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xsm s ILE 86 N 12.26 4.43 -0.08 0.52 1.01 -1.26 -4.93 121.20 133.15 1xsm s ILE 86 Ca 1.00 0.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.22 1xsm s ILE 86 Cb -0.23 -4.47 -0.29 0.00 0.01 0.00 0.00 42.46 37.49 1xsm s ILE 86 CO 0.26 -0.89 0.69 -0.08 0.00 0.00 0.00 174.94 174.92 1xsm h GLU 87 N 9.13 0.27 -3.87 2.79 4.81 -1.94 -3.43 114.58 122.34 1xsm h GLU 87 Ca -0.24 -0.46 -0.73 0.00 -0.13 0.00 0.00 59.36 57.80 1xsm h GLU 87 Cb 1.07 0.17 -0.31 0.00 0.63 0.00 0.00 28.75 30.31 1xsm h GLU 87 CO 1.05 1.22 -0.26 0.71 -0.73 0.00 0.00 179.01 180.99 1xsm s TYR 88 N -2.46 3.51 0.31 0.92 2.02 -1.26 -4.94 117.35 115.45 1xsm s TYR 88 Ca -0.17 -2.30 0.07 0.00 -0.37 0.00 0.00 57.07 54.30 1xsm s TYR 88 Cb 0.03 -3.44 0.49 0.00 -0.40 0.00 0.00 41.96 38.65 1xsm s TYR 88 CO 0.79 -0.92 1.72 0.45 -1.57 0.00 0.00 175.55 176.02 1xsm h HIS 89 N 7.63 0.24 -0.43 2.71 3.86 -2.00 -1.98 115.15 125.19 1xsm h HIS 89 Ca -0.04 -0.06 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 1xsm h HIS 89 Cb 1.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 1xsm h HIS 89 CO 0.77 0.58 -0.10 0.38 0.86 0.00 0.00 177.93 180.41 1xsm h ASP 90 N 0.18 0.83 -0.36 2.45 2.03 -1.99 -2.30 116.42 117.26 1xsm h ASP 90 Ca 0.02 -0.36 -0.07 0.00 -0.73 0.00 0.00 57.03 55.89 1xsm h ASP 90 Cb 0.79 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 1xsm h ASP 90 CO 0.06 1.00 -0.05 0.40 -1.03 0.00 0.00 179.24 179.62 1xsm h ILE 91 N 0.65 1.27 -0.03 4.15 2.04 -1.93 -3.01 117.51 120.65 1xsm h ILE 91 Ca 0.11 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.92 1xsm h ILE 91 Cb 0.64 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1xsm h ILE 91 CO 0.04 0.36 -0.15 -0.25 0.00 0.00 0.00 178.15 178.15 1xsm h TRP 92 N 0.46 -0.38 0.00 1.37 -0.00 -1.37 0.39 115.95 116.42 1xsm h TRP 92 Ca 0.09 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1xsm h TRP 92 Cb 0.53 0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 29.87 1xsm h TRP 92 CO 0.04 -0.22 -0.03 0.37 -0.00 0.00 0.00 178.44 178.61 1xsm h GLN 93 N -0.23 0.00 -0.13 2.65 4.15 -1.42 -0.46 115.11 119.67 1xsm h GLN 93 Ca 0.06 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.25 1xsm h GLN 93 Cb 0.31 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.01 1xsm h GLN 93 CO -0.17 0.03 -0.81 0.52 -1.93 0.00 0.00 178.83 176.48 1xsm h MET 94 N 0.00 0.77 -0.82 1.69 2.86 -0.79 -1.89 114.93 116.75 1xsm h MET 94 Ca -0.00 -0.65 0.06 0.00 -2.06 0.00 0.00 59.70 57.05 1xsm h MET 94 Cb 0.17 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1xsm h MET 94 CO 0.00 1.25 0.50 -0.92 1.06 0.00 0.00 176.91 178.81 1xsm h TYR 95 N 0.51 0.93 -0.36 -0.22 3.20 -0.77 -0.81 116.97 119.45 1xsm h TYR 95 Ca -0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 1xsm h TYR 95 Cb 1.44 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1xsm h TYR 95 CO 0.09 0.47 -0.08 0.87 -1.64 0.00 0.00 178.16 177.86 1xsm h LYS 96 N 0.92 0.60 -0.10 1.82 1.79 -0.95 0.12 116.57 120.77 1xsm h LYS 96 Ca 0.36 -0.17 -0.13 0.00 -2.18 0.00 0.00 60.65 58.53 1xsm h LYS 96 Cb 0.17 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1xsm h LYS 96 CO -0.17 0.68 -0.50 -0.22 -1.08 0.00 0.00 179.45 178.16 1xsm h LYS 97 N 0.56 0.27 0.69 3.15 1.63 -0.86 -2.30 116.57 119.71 1xsm h LYS 97 Ca 0.10 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1xsm h LYS 97 Cb 0.48 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1xsm h LYS 97 CO 0.03 0.71 -0.33 0.00 -3.45 0.00 0.00 179.45 176.41 1xsm h ALA 98 N 1.26 -0.95 -0.96 5.00 0.00 0.38 -3.03 119.26 120.96 1xsm h ALA 98 Ca 0.01 -0.20 0.30 0.00 0.00 0.00 0.00 54.91 55.02 1xsm h ALA 98 Cb 0.96 0.36 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 1xsm h ALA 98 CO 0.08 -0.88 0.40 1.49 0.00 0.00 0.00 179.25 180.34 1xsm h GLU 99 N -1.21 0.21 0.00 0.00 4.81 -0.87 0.29 114.58 117.81 1xsm h GLU 99 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1xsm h GLU 99 Cb 0.71 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1xsm h GLU 99 CO 0.16 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.58 1xsm h ALA 100 N 1.86 1.00 -0.58 2.92 0.00 -1.40 -3.12 119.26 119.94 1xsm h ALA 100 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1xsm h ALA 100 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1xsm h ALA 100 CO -0.67 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.01 1xsm n SER 101 N -2.52 3.36 -4.58 0.00 7.64 0.10 -5.00 113.62 112.62 1xsm n SER 101 Ca 0.02 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.49 1xsm n SER 101 Cb 0.29 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1xsm n SER 101 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1xsm n PHE 102 N 1.35 0.96 -3.49 1.43 7.35 -1.18 -5.00 117.46 118.88 1xsm n PHE 102 Ca 0.21 0.62 -0.11 0.00 -0.76 0.00 0.00 57.45 57.41 1xsm n PHE 102 Cb 0.54 -2.20 -0.02 0.00 0.35 0.00 0.00 39.48 38.15 1xsm n PHE 102 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1xsm s TRP 103 N -1.23 -0.47 0.14 -5.13 1.48 -1.26 -5.15 118.94 107.32 1xsm s TRP 103 Ca 0.62 0.24 0.11 0.00 -1.06 0.00 0.00 56.10 56.00 1xsm s TRP 103 Cb -0.61 0.58 -0.04 0.00 -1.16 0.00 0.00 33.47 32.23 1xsm s TRP 103 CO 0.58 -0.86 -0.26 0.95 -4.06 0.00 0.00 176.95 173.30 1xsm s THR 104 N -3.69 2.33 0.63 0.66 -4.23 -1.26 -5.00 115.64 105.08 1xsm s THR 104 Ca 0.03 -1.79 0.31 0.00 -1.18 0.00 0.00 61.69 59.06 1xsm s THR 104 Cb -0.02 -2.06 0.35 0.00 1.34 0.00 0.00 72.50 72.12 1xsm s THR 104 CO -0.10 0.05 2.02 0.00 -0.54 0.00 0.00 174.62 176.05 1xsm h ALA 105 N 3.72 1.61 0.00 3.99 0.00 -1.98 -0.78 119.26 125.82 1xsm h ALA 105 Ca -0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1xsm h ALA 105 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsm h ALA 105 CO 0.41 -0.36 -0.31 0.93 0.00 0.00 0.00 179.25 179.92 1xsm h GLU 106 N 0.00 0.00 0.00 0.00 3.07 -1.99 -2.85 114.58 112.82 1xsm h GLU 106 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1xsm h GLU 106 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1xsm h GLU 106 CO -0.00 0.31 0.00 0.39 -1.40 0.00 0.00 179.01 178.31 1xsm n GLU 107 N -3.64 0.32 -3.67 2.33 1.02 -0.30 -4.66 120.64 112.04 1xsm n GLU 107 Ca -0.01 0.09 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1xsm n GLU 107 Cb 0.43 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1xsm n GLU 107 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xsm s VAL 108 N -2.40 4.35 -0.55 2.62 1.01 -1.08 -5.05 120.40 119.31 1xsm s VAL 108 Ca 0.18 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1xsm s VAL 108 Cb 0.11 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1xsm s VAL 108 CO 0.23 -0.07 1.28 -0.62 0.00 0.00 0.00 175.10 175.92 1xsm s ASP 109 N 1.54 6.36 -0.28 3.32 2.15 -1.26 -4.81 116.67 123.68 1xsm s ASP 109 Ca 0.02 0.27 0.10 0.00 0.43 0.00 0.00 52.55 53.37 1xsm s ASP 109 Cb -0.18 -2.55 0.71 0.00 -0.30 0.00 0.00 42.92 40.59 1xsm s ASP 109 CO 0.05 -1.53 1.71 0.18 -0.17 0.00 0.00 175.17 175.42 1xsm n LEU 110 N 8.78 5.72 0.12 -1.34 4.77 -1.26 -4.58 117.00 129.22 1xsm n LEU 110 Ca 0.11 -2.96 -0.21 0.00 -0.03 0.00 0.00 56.01 52.91 1xsm n LEU 110 Cb 0.49 -0.72 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 1xsm n LEU 110 CO 0.71 0.74 -0.13 0.28 -1.33 0.00 0.00 177.39 177.66 1xsm h SER 111 N 2.72 0.73 0.01 -1.43 0.02 -2.03 -3.35 113.55 110.21 1xsm h SER 111 Ca 0.20 -0.74 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1xsm h SER 111 Cb 2.16 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.46 1xsm h SER 111 CO 0.65 1.57 -0.00 0.11 -1.14 0.00 0.00 176.83 178.01 1xsm h LYS 112 N 0.16 -0.01 -0.35 3.45 1.57 -2.02 -3.38 116.57 116.00 1xsm h LYS 112 Ca -0.20 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1xsm h LYS 112 Cb 2.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.33 1xsm h LYS 112 CO 0.24 0.65 0.25 -0.25 -0.57 0.00 0.00 179.45 179.77 1xsm n ASP 113 N -4.78 0.00 0.07 0.86 9.92 -1.26 -0.61 116.55 120.76 1xsm n ASP 113 Ca -0.09 0.17 -0.02 0.00 -0.53 0.00 0.00 54.79 54.32 1xsm n ASP 113 Cb 0.33 -0.09 0.23 0.00 -0.64 0.00 0.00 41.12 40.95 1xsm n ASP 113 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 1xsm h ILE 114 N 0.00 1.28 0.52 0.53 6.09 -1.79 0.17 117.51 124.31 1xsm h ILE 114 Ca 0.16 -1.37 -0.03 0.00 -1.37 0.00 0.00 64.86 62.26 1xsm h ILE 114 Cb 0.66 1.53 0.01 0.00 0.47 0.00 0.00 36.82 39.49 1xsm h ILE 114 CO -0.00 0.42 -0.25 0.06 -3.07 0.00 0.00 178.15 175.31 1xsm h GLN 115 N 0.27 -0.67 -0.53 2.19 3.07 -1.18 -2.49 115.11 115.78 1xsm h GLN 115 Ca 0.03 0.05 0.10 0.00 0.09 0.00 0.00 58.65 58.92 1xsm h GLN 115 Cb 0.73 0.15 -0.09 0.00 0.08 0.00 0.00 27.48 28.36 1xsm h GLN 115 CO 0.06 -0.42 0.01 0.45 0.09 0.00 0.00 178.83 179.02 1xsm h HIS 116 N -0.75 -0.01 -1.07 0.06 3.86 -1.64 0.86 115.15 116.45 1xsm h HIS 116 Ca -0.07 0.04 0.29 0.00 -1.16 0.00 0.00 60.37 59.47 1xsm h HIS 116 Cb 0.56 0.09 -0.11 0.00 1.06 0.00 0.00 27.41 29.01 1xsm h HIS 116 CO -0.03 -0.11 0.67 2.35 0.86 0.00 0.00 177.93 181.67 1xsm h TRP 117 N 0.13 0.73 0.77 2.45 2.91 -0.48 -2.34 115.95 120.12 1xsm h TRP 117 Ca 0.27 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.28 1xsm h TRP 117 Cb 0.41 -0.20 0.01 0.00 -0.51 0.00 0.00 29.16 28.86 1xsm h TRP 117 CO -0.32 -0.00 -0.37 0.93 -1.03 0.00 0.00 178.44 177.65 1xsm h GLU 118 N 0.37 -0.99 -1.82 2.65 5.08 0.12 -3.13 114.58 116.85 1xsm h GLU 118 Ca 0.65 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1xsm h GLU 118 Cb 1.64 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1xsm h GLU 118 CO -0.38 -0.66 0.00 0.00 -1.00 0.00 0.00 179.01 176.97 1xsm n ALA 119 N -2.51 2.04 -2.42 3.43 0.00 -0.68 -4.79 120.51 115.58 1xsm n ALA 119 Ca -0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1xsm n ALA 119 Cb 0.41 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 1xsm n ALA 119 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xsm s LEU 120 N 0.00 2.38 0.45 0.00 2.96 -1.19 -5.01 118.68 118.28 1xsm s LEU 120 Ca 0.00 -0.81 -0.20 0.00 -0.22 0.00 0.00 54.13 52.90 1xsm s LEU 120 Cb 0.00 -1.14 -0.10 0.00 0.50 0.00 0.00 46.19 45.45 1xsm s LEU 120 CO 0.00 0.13 0.95 -0.54 -1.32 0.00 0.00 176.35 175.57 1xsm s LYS 121 N -2.40 4.15 0.12 1.98 1.02 -1.26 -4.90 119.74 118.45 1xsm s LYS 121 Ca 0.17 1.06 -0.31 0.00 0.02 0.00 0.00 55.97 56.91 1xsm s LYS 121 Cb -0.09 -2.17 -0.11 0.00 -0.52 0.00 0.00 37.83 34.94 1xsm s LYS 121 CO 0.08 -0.09 1.51 -1.35 -0.92 0.00 0.00 175.35 174.58 1xsm h PRO 122 N 1.65 -0.42 -1.04 -1.68 0.11 -1.96 0.72 132.00 129.38 1xsm h PRO 122 Ca -0.48 0.03 0.33 0.00 0.11 0.00 0.00 66.00 65.99 1xsm h PRO 122 Cb 1.18 0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1xsm h PRO 122 CO 0.61 -0.28 0.60 -0.44 -0.21 0.00 0.00 178.00 178.29 1xsm h ASP 123 N -0.43 0.48 0.09 -2.05 3.32 -1.92 2.24 116.42 118.14 1xsm h ASP 123 Ca 0.06 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1xsm h ASP 123 Cb 0.59 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1xsm h ASP 123 CO -0.51 -0.13 -0.28 -0.33 -1.72 0.00 0.00 179.24 176.27 1xsm h GLU 124 N 0.30 0.31 -0.07 3.56 5.08 -1.05 -2.06 114.58 120.65 1xsm h GLU 124 Ca 0.74 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 58.76 1xsm h GLU 124 Cb 1.77 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.00 1xsm h GLU 124 CO -0.57 0.57 -0.86 0.00 -1.00 0.00 0.00 179.01 177.15 1xsm h ARG 125 N 0.28 0.58 -0.78 2.33 3.08 0.49 -2.13 114.38 118.22 1xsm h ARG 125 Ca 0.04 -0.54 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1xsm h ARG 125 Cb 0.64 0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1xsm h ARG 125 CO 0.05 1.16 0.36 1.25 -1.07 0.00 0.00 179.97 181.72 1xsm h HIS 126 N 0.37 1.14 0.90 3.04 2.76 -0.94 -0.53 115.15 121.89 1xsm h HIS 126 Ca -0.07 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 57.99 1xsm h HIS 126 Cb 1.48 -0.35 0.01 0.00 1.55 0.00 0.00 27.41 30.10 1xsm h HIS 126 CO 0.07 0.84 -0.43 0.35 -1.30 0.00 0.00 177.93 177.46 1xsm h PHE 127 N 1.11 -1.12 -0.78 5.26 3.57 -1.34 -2.02 116.94 121.62 1xsm h PHE 127 Ca 0.27 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1xsm h PHE 127 Cb 0.14 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1xsm h PHE 127 CO 0.01 -0.69 0.51 0.82 -2.23 0.00 0.00 178.31 176.73 1xsm h ILE 128 N -1.28 0.95 -0.40 1.41 2.04 -1.24 0.02 117.51 119.01 1xsm h ILE 128 Ca -0.12 -0.24 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 1xsm h ILE 128 Cb 0.93 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1xsm h ILE 128 CO 0.20 0.13 -0.24 0.77 0.00 0.00 0.00 178.15 179.01 1xsm h SER 129 N 0.71 0.83 0.14 1.72 4.64 -1.00 -1.76 113.55 118.83 1xsm h SER 129 Ca 0.36 -0.31 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1xsm h SER 129 Cb 0.45 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1xsm h SER 129 CO -0.13 1.03 -0.63 0.45 -0.87 0.00 0.00 176.83 176.68 1xsm h HIS 130 N 0.70 0.61 -0.39 4.77 3.86 -0.30 -2.62 115.15 121.78 1xsm h HIS 130 Ca 0.09 -0.24 -0.08 0.00 -1.16 0.00 0.00 60.37 58.98 1xsm h HIS 130 Cb 0.77 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 1xsm h HIS 130 CO 0.04 0.97 -0.08 0.28 0.86 0.00 0.00 177.93 180.01 1xsm h VAL 131 N 0.35 1.27 -0.97 2.45 2.07 -0.90 0.25 116.25 120.77 1xsm h VAL 131 Ca -0.01 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 66.45 1xsm h VAL 131 Cb 1.18 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 1xsm h VAL 131 CO 0.11 0.38 0.61 -0.07 0.02 0.00 0.00 177.57 178.63 1xsm h LEU 132 N 0.55 0.94 -0.64 2.57 3.38 -1.27 0.21 115.31 121.05 1xsm h LEU 132 Ca 0.10 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 1xsm h LEU 132 Cb 0.59 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xsm h LEU 132 CO 0.03 0.57 -0.65 0.00 0.09 0.00 0.00 178.44 178.48 1xsm h ALA 133 N 1.48 0.85 -0.22 1.53 0.00 -1.21 0.71 119.26 122.40 1xsm h ALA 133 Ca 0.44 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1xsm h ALA 133 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xsm h ALA 133 CO -0.21 0.78 -0.60 0.35 0.00 0.00 0.00 179.25 179.56 1xsm h PHE 134 N 0.10 0.94 -0.09 0.00 3.57 0.43 -2.88 116.94 119.00 1xsm h PHE 134 Ca -0.01 -0.35 -0.14 0.00 3.53 0.00 0.00 57.97 61.00 1xsm h PHE 134 Cb 1.16 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1xsm h PHE 134 CO 0.01 1.15 -0.56 0.74 -2.23 0.00 0.00 178.31 177.43 1xsm h PHE 135 N 0.55 0.36 -0.30 0.41 0.04 -0.38 -2.21 116.94 115.40 1xsm h PHE 135 Ca -0.00 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1xsm h PHE 135 Cb 1.19 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 1xsm h PHE 135 CO 0.06 0.78 0.17 0.00 -0.60 0.00 0.00 178.31 178.72 1xsm h ALA 136 N 1.20 0.37 -0.22 2.45 0.00 -0.77 -2.23 119.26 120.06 1xsm h ALA 136 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1xsm h ALA 136 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xsm h ALA 136 CO 0.09 -0.20 -0.18 0.00 0.00 0.00 0.00 179.25 178.96 1xsm h ALA 137 N 1.14 0.32 -0.57 0.00 0.00 -1.50 -3.14 119.26 115.50 1xsm h ALA 137 Ca 0.12 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1xsm h ALA 137 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1xsm h ALA 137 CO -0.06 0.23 0.36 0.77 0.00 0.00 0.00 179.25 180.55 1xsm h SER 138 N 0.20 0.60 -0.80 0.00 0.02 -1.29 -0.40 113.55 111.89 1xsm h SER 138 Ca 0.04 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.07 1xsm h SER 138 Cb 0.71 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1xsm h SER 138 CO 0.05 0.43 0.52 0.44 -1.14 0.00 0.00 176.83 177.13 1xsm h ASP 139 N 0.72 0.69 -0.97 3.07 3.32 -1.48 0.21 116.42 121.98 1xsm h ASP 139 Ca 0.22 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xsm h ASP 139 Cb -0.03 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1xsm h ASP 139 CO -0.07 0.42 0.62 1.23 -1.72 0.00 0.00 179.24 179.72 1xsm h GLY 140 N 0.77 1.39 0.89 2.75 0.00 -1.04 -2.27 103.07 105.56 1xsm h GLY 140 Ca 0.37 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1xsm h GLY 140 CO -0.14 0.53 -0.17 -2.22 0.00 0.00 0.00 176.54 174.54 1xsm h ILE 141 N 1.33 1.30 -0.13 2.60 2.04 -0.01 -2.28 117.51 122.36 1xsm h ILE 141 Ca 0.35 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1xsm h ILE 141 Cb -0.11 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1xsm h ILE 141 CO -0.07 0.40 -0.28 0.58 0.00 0.00 0.00 178.15 178.78 1xsm h VAL 142 N 0.32 0.35 -0.85 1.67 2.07 -0.58 -2.38 116.25 116.85 1xsm h VAL 142 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1xsm h VAL 142 Cb 0.69 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1xsm h VAL 142 CO 0.05 0.00 0.52 -1.13 0.02 0.00 0.00 177.57 177.03 1xsm h ASN 143 N -0.35 0.81 -0.58 0.57 -0.00 -1.43 -2.19 115.58 112.40 1xsm h ASN 143 Ca 0.10 0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.43 1xsm h ASN 143 Cb 0.51 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.65 1xsm h ASN 143 CO -0.33 0.51 0.37 -0.08 -0.00 0.00 0.00 177.43 177.90 1xsm h GLU 144 N 0.94 0.73 -0.89 6.67 4.81 -0.90 -0.47 114.58 125.47 1xsm h GLU 144 Ca 0.37 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 1xsm h GLU 144 Cb 0.20 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1xsm h GLU 144 CO -0.18 0.49 0.57 -0.97 -0.73 0.00 0.00 179.01 178.18 1xsm h ASN 145 N 0.76 0.92 -0.12 1.04 -1.24 -1.11 0.49 115.58 116.32 1xsm h ASN 145 Ca 0.22 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.21 1xsm h ASN 145 Cb -0.05 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 1xsm h ASN 145 CO -0.07 0.61 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.57 1xsm h LEU 146 N 1.07 0.25 0.67 0.34 3.38 -1.25 -0.10 115.31 119.66 1xsm h LEU 146 Ca 0.37 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1xsm h LEU 146 Cb 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xsm h LEU 146 CO -0.15 0.58 -0.32 0.58 0.09 0.00 0.00 178.44 179.22 1xsm h VAL 147 N -0.09 0.34 -0.02 1.22 2.07 -0.75 0.91 116.25 119.93 1xsm h VAL 147 Ca 0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xsm h VAL 147 Cb 0.48 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1xsm h VAL 147 CO 0.01 0.00 -0.07 -1.84 0.02 0.00 0.00 177.57 175.70 1xsm n GLU 148 N -5.47 1.59 0.06 1.57 0.28 0.17 -4.55 120.64 114.29 1xsm n GLU 148 Ca -0.14 -1.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.84 1xsm n GLU 148 Cb 0.37 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1xsm n GLU 148 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xsm n ARG 149 N 0.18 0.00 0.09 3.44 5.12 -0.14 -4.81 116.66 120.55 1xsm n ARG 149 Ca 0.17 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.95 1xsm n ARG 149 Cb 0.39 -0.08 -0.08 0.00 -1.16 0.00 0.00 32.46 31.54 1xsm n ARG 149 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1xsm h PHE 150 N 0.00 -0.15 0.00 -1.55 0.04 -1.23 0.14 116.94 114.20 1xsm h PHE 150 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xsm h PHE 150 Cb 0.00 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1xsm h PHE 150 CO 0.00 -0.06 0.00 -1.13 -0.60 0.00 0.00 178.31 176.52 1xsm n SER 151 N -5.14 0.30 -0.04 2.17 3.41 0.30 -2.16 113.62 112.46 1xsm n SER 151 Ca -0.08 0.58 -0.22 0.00 -0.26 0.00 0.00 58.87 58.89 1xsm n SER 151 Cb 0.10 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 63.28 1xsm n SER 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsm n GLN 152 N -1.84 0.68 -0.09 4.33 1.13 -0.60 -4.45 117.38 116.54 1xsm n GLN 152 Ca 0.02 0.37 -0.13 0.00 -1.94 0.00 0.00 57.00 55.32 1xsm n GLN 152 Cb 0.18 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.77 1xsm n GLN 152 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1xsm h GLU 153 N -0.34 0.65 -6.41 -1.09 5.08 -0.61 -3.44 114.58 108.43 1xsm h GLU 153 Ca -0.42 -0.33 -0.54 0.00 -1.00 0.00 0.00 59.36 57.07 1xsm h GLU 153 Cb 1.77 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1xsm h GLU 153 CO -0.04 0.94 0.42 0.08 -1.00 0.00 0.00 179.01 179.41 1xsm s VAL 154 N -4.40 4.72 -0.09 3.13 1.01 -0.92 -4.71 120.40 119.14 1xsm s VAL 154 Ca -0.13 1.95 0.21 0.00 0.00 0.00 0.00 61.98 64.01 1xsm s VAL 154 Cb 0.08 -4.25 -0.30 0.00 0.00 0.00 0.00 36.38 31.91 1xsm s VAL 154 CO 0.82 0.14 0.38 0.00 0.00 0.00 0.00 175.10 176.43 1xsm n GLN 155 N 4.01 0.67 -2.23 2.72 1.13 0.42 -4.82 117.38 119.28 1xsm n GLN 155 Ca 0.07 -0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 1xsm n GLN 155 Cb 0.50 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 1xsm n GLN 155 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1xsm s VAL 156 N -3.19 3.75 0.20 5.09 1.01 -1.23 -4.62 120.40 121.41 1xsm s VAL 156 Ca -0.08 1.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 1xsm s VAL 156 Cb 0.11 -3.71 0.19 0.00 0.00 0.00 0.00 36.38 32.98 1xsm s VAL 156 CO 0.88 -0.01 1.64 0.74 0.00 0.00 0.00 175.10 178.34 1xsm h THR 157 N 5.00 0.43 -0.88 3.92 2.02 -1.97 -1.29 112.91 120.14 1xsm h THR 157 Ca -0.37 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.87 1xsm h THR 157 Cb 1.17 0.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1xsm h THR 157 CO 0.91 0.00 0.57 -0.33 0.37 0.00 0.00 175.52 177.04 1xsm h GLU 158 N -0.00 0.98 -0.26 6.66 3.07 -1.93 -1.37 114.58 121.72 1xsm h GLU 158 Ca 0.27 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 1xsm h GLU 158 Cb 0.42 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1xsm h GLU 158 CO -0.58 0.65 -0.35 0.00 -1.40 0.00 0.00 179.01 177.32 1xsm h ALA 159 N 1.52 0.89 -0.32 3.43 0.00 -1.61 -2.46 119.26 120.72 1xsm h ALA 159 Ca 0.38 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1xsm h ALA 159 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xsm h ALA 159 CO -0.14 0.63 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 1xsm h ARG 160 N 0.49 0.54 -0.09 0.00 3.08 -0.60 0.65 114.38 118.45 1xsm h ARG 160 Ca 0.05 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1xsm h ARG 160 Cb 0.84 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1xsm h ARG 160 CO 0.07 0.66 -0.02 0.00 -1.07 0.00 0.00 179.97 179.62 1xsm h PHE 162 N -0.16 -0.24 -0.07 0.00 3.04 -1.18 0.16 116.94 118.49 1xsm h PHE 162 Ca 0.02 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1xsm h PHE 162 Cb 0.40 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.99 1xsm h PHE 162 CO 0.05 -0.11 0.02 1.88 -2.02 0.00 0.00 178.31 178.13 1xsm h TYR 163 N -0.32 0.09 -0.15 0.41 0.05 -0.88 -1.22 116.97 114.96 1xsm h TYR 163 Ca -0.03 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.55 1xsm h TYR 163 Cb 0.24 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1xsm h TYR 163 CO -0.05 0.09 -0.73 0.78 -1.05 0.00 0.00 178.16 177.21 1xsm h GLY 164 N 0.18 0.73 1.57 3.88 0.00 -0.70 -2.57 103.07 106.16 1xsm h GLY 164 Ca 0.03 -1.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.26 1xsm h GLY 164 CO -0.00 0.89 -0.24 -2.75 0.00 0.00 0.00 176.54 174.44 1xsm h PHE 165 N 0.46 0.56 -0.53 5.60 3.57 -0.30 -2.95 116.94 123.36 1xsm h PHE 165 Ca -0.04 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1xsm h PHE 165 Cb 1.33 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1xsm h PHE 165 CO 0.07 0.70 0.12 0.37 -2.23 0.00 0.00 178.31 177.34 1xsm h GLN 166 N 0.45 0.86 -0.52 1.11 4.15 -1.12 -2.18 115.11 117.86 1xsm h GLN 166 Ca 0.07 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1xsm h GLN 166 Cb 0.66 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1xsm h GLN 166 CO 0.05 0.83 0.32 0.82 -1.93 0.00 0.00 178.83 178.91 1xsm h ILE 167 N 0.76 1.16 -0.96 2.39 2.04 -1.44 0.32 117.51 121.77 1xsm h ILE 167 Ca 0.17 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xsm h ILE 167 Cb 0.36 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1xsm h ILE 167 CO 0.00 0.16 0.64 0.00 0.00 0.00 0.00 178.15 178.95 1xsm h ALA 168 N 1.16 1.22 -0.36 1.87 0.00 -1.32 -2.62 119.26 119.22 1xsm h ALA 168 Ca 0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1xsm h ALA 168 Cb -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1xsm h ALA 168 CO -0.04 0.62 -0.35 0.52 0.00 0.00 0.00 179.25 180.00 1xsm h MET 169 N 1.31 0.84 -0.77 0.00 2.86 -0.84 -2.43 114.93 115.90 1xsm h MET 169 Ca 0.35 -0.42 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1xsm h MET 169 Cb -0.15 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 1xsm h MET 169 CO -0.08 1.05 0.51 0.93 1.06 0.00 0.00 176.91 180.39 1xsm h GLU 170 N 0.69 0.89 -0.31 1.72 4.39 -0.09 -0.83 114.58 121.05 1xsm h GLU 170 Ca 0.07 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1xsm h GLU 170 Cb 0.92 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1xsm h GLU 170 CO 0.08 0.59 -0.24 -0.91 -1.16 0.00 0.00 179.01 177.37 1xsm h ASN 171 N 0.92 0.60 -0.02 1.42 2.35 -1.24 0.16 115.58 119.77 1xsm h ASN 171 Ca 0.31 -0.21 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1xsm h ASN 171 Cb 0.09 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1xsm h ASN 171 CO -0.10 0.84 -0.66 0.40 -1.65 0.00 0.00 177.43 176.26 1xsm h ILE 172 N 0.52 1.32 -0.51 2.81 2.04 -0.93 -2.64 117.51 120.11 1xsm h ILE 172 Ca 0.07 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 1xsm h ILE 172 Cb 0.70 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1xsm h ILE 172 CO 0.05 0.60 0.12 0.45 0.00 0.00 0.00 178.15 179.38 1xsm h HIS 173 N 0.46 0.87 -0.80 1.37 3.86 -0.70 -0.80 115.15 119.41 1xsm h HIS 173 Ca -0.02 -0.10 0.10 0.00 -1.16 0.00 0.00 60.37 59.19 1xsm h HIS 173 Cb 1.24 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 1xsm h HIS 173 CO 0.06 0.77 0.52 0.77 0.86 0.00 0.00 177.93 180.91 1xsm h SER 174 N 0.72 0.64 -0.12 2.45 0.02 -0.65 -1.80 113.55 114.81 1xsm h SER 174 Ca 0.16 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 1xsm h SER 174 Cb 0.34 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.77 1xsm h SER 174 CO 0.00 0.37 -0.69 -0.08 -1.14 0.00 0.00 176.83 175.30 1xsm h GLU 175 N 0.71 0.68 -0.26 3.45 4.81 -1.05 -2.84 114.58 120.08 1xsm h GLU 175 Ca 0.37 -0.57 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1xsm h GLU 175 Cb 0.49 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1xsm h GLU 175 CO -0.14 1.18 0.17 1.98 -0.73 0.00 0.00 179.01 181.47 1xsm h MET 176 N 0.36 0.33 -0.67 1.92 4.05 -0.62 -0.83 114.93 119.47 1xsm h MET 176 Ca -0.05 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1xsm h MET 176 Cb 1.33 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 32.02 1xsm h MET 176 CO 0.14 0.22 0.36 1.88 0.23 0.00 0.00 176.91 179.74 1xsm h TYR 177 N 0.34 0.90 -0.66 1.39 0.05 -1.39 -1.75 116.97 115.86 1xsm h TYR 177 Ca 0.10 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 1xsm h TYR 177 Cb -0.03 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.39 1xsm h TYR 177 CO -0.07 0.63 0.20 0.77 -1.05 0.00 0.00 178.16 178.64 1xsm h SER 178 N 0.93 0.95 -0.62 3.88 0.02 -1.15 -1.01 113.55 116.55 1xsm h SER 178 Ca 0.24 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1xsm h SER 178 Cb 0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1xsm h SER 178 CO -0.04 0.89 0.08 -0.07 -1.14 0.00 0.00 176.83 176.55 1xsm h LEU 179 N 0.98 1.00 0.11 5.07 4.07 -0.68 0.22 115.31 126.09 1xsm h LEU 179 Ca 0.21 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1xsm h LEU 179 Cb 0.29 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xsm h LEU 179 CO -0.01 1.02 -0.05 -0.07 -1.08 0.00 0.00 178.44 178.25 1xsm h LEU 180 N 0.94 -0.13 -0.33 1.67 4.07 -0.82 0.16 115.31 120.88 1xsm h LEU 180 Ca 0.18 -0.12 0.02 0.00 0.08 0.00 0.00 57.88 58.05 1xsm h LEU 180 Cb 0.46 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 1xsm h LEU 180 CO 0.02 0.04 0.16 0.40 -1.08 0.00 0.00 178.44 177.97 1xsm h ILE 181 N -0.29 0.98 0.00 1.22 2.04 -1.06 0.25 117.51 120.65 1xsm h ILE 181 Ca -0.02 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1xsm h ILE 181 Cb 0.24 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xsm h ILE 181 CO 0.02 0.06 -0.29 0.44 0.00 0.00 0.00 178.15 178.39 1xsm h ASP 182 N 0.33 0.00 1.02 1.72 5.19 -0.35 -1.83 116.42 122.50 1xsm h ASP 182 Ca 0.14 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.41 1xsm h ASP 182 Cb 0.06 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 1xsm h ASP 182 CO -0.10 0.29 -0.65 0.74 -3.12 0.00 0.00 179.24 176.39 1xsm h THR 183 N 0.00 1.25 0.02 0.35 2.02 0.13 -3.35 112.91 113.33 1xsm h THR 183 Ca -0.00 -2.42 -0.33 0.00 0.77 0.00 0.00 66.41 64.43 1xsm h THR 183 Cb 0.53 2.39 -0.05 0.00 -1.74 0.00 0.00 68.15 69.28 1xsm h THR 183 CO 0.04 0.64 -1.94 -1.22 0.37 0.00 0.00 175.52 173.40 1xsm n TYR 184 N -3.45 0.79 -3.50 3.16 4.01 0.68 -4.70 117.16 114.15 1xsm n TYR 184 Ca 0.00 0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 1xsm n TYR 184 Cb 0.72 -1.13 -0.06 0.00 -0.31 0.00 0.00 39.34 38.56 1xsm n TYR 184 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1xsm s ILE 185 N -2.56 4.67 0.37 -0.72 1.09 -0.73 -4.88 121.20 118.42 1xsm s ILE 185 Ca -0.11 -2.35 0.27 0.00 -1.10 0.00 0.00 60.65 57.36 1xsm s ILE 185 Cb 0.07 -3.98 0.29 0.00 -1.06 0.00 0.00 42.46 37.79 1xsm s ILE 185 CO 0.80 -0.91 2.04 0.50 -0.10 0.00 0.00 174.94 177.27 1xsm h LYS 186 N 7.83 0.00 -5.92 2.79 3.64 -1.84 -3.40 116.57 119.67 1xsm h LYS 186 Ca -0.05 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.70 1xsm h LYS 186 Cb 1.03 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.75 1xsm h LYS 186 CO 0.79 0.13 1.64 0.34 -2.27 0.00 0.00 179.45 180.09 1xsm s ASP 187 N -6.13 6.62 0.47 4.20 2.15 -1.26 -4.82 116.67 117.91 1xsm s ASP 187 Ca -0.02 -1.82 0.12 0.00 0.43 0.00 0.00 52.55 51.25 1xsm s ASP 187 Cb 0.13 -2.56 0.40 0.00 -0.30 0.00 0.00 42.92 40.59 1xsm s ASP 187 CO 0.59 -1.36 0.88 -0.81 -0.17 0.00 0.00 175.17 174.30 1xsm n PRO 188 N 8.48 0.02 0.17 4.34 -0.04 -1.26 0.14 135.00 146.85 1xsm n PRO 188 Ca 0.37 0.74 -0.14 0.00 -0.04 0.00 0.00 63.50 64.43 1xsm n PRO 188 Cb 0.49 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 31.96 1xsm n PRO 188 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xsm h LYS 189 N 0.00 -0.41 0.91 0.54 3.64 -1.95 -2.72 116.57 116.58 1xsm h LYS 189 Ca 0.22 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1xsm h LYS 189 Cb 1.92 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1xsm h LYS 189 CO -0.00 -0.15 -0.46 0.93 -2.27 0.00 0.00 179.45 177.50 1xsm h GLU 190 N -0.64 -1.21 -0.28 1.90 5.08 0.76 -2.91 114.58 117.28 1xsm h GLU 190 Ca -0.04 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xsm h GLU 190 Cb 0.46 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1xsm h GLU 190 CO 0.07 -0.81 -0.17 0.54 -1.00 0.00 0.00 179.01 177.65 1xsm n ARG 191 N -5.64 -0.12 0.01 2.33 1.74 -1.00 0.21 116.66 114.19 1xsm n ARG 191 Ca -0.16 0.49 -0.10 0.00 -0.77 0.00 0.00 57.85 57.31 1xsm n ARG 191 Cb 0.50 -0.72 -0.03 0.00 -1.02 0.00 0.00 32.46 31.19 1xsm n ARG 191 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1xsm h GLU 192 N 0.00 -0.19 -0.97 5.56 5.08 -1.40 0.15 114.58 122.82 1xsm h GLU 192 Ca 0.04 0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.73 1xsm h GLU 192 Cb 0.11 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.24 1xsm h GLU 192 CO -0.26 -0.13 0.33 -0.92 -1.00 0.00 0.00 179.01 177.03 1xsm h TYR 193 N -0.20 0.48 0.18 4.33 3.20 0.27 0.80 116.97 126.04 1xsm h TYR 193 Ca 0.08 0.05 -0.30 0.00 3.14 0.00 0.00 58.73 61.70 1xsm h TYR 193 Cb 0.32 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.55 1xsm h TYR 193 CO -0.25 -0.34 -1.33 -0.07 -1.64 0.00 0.00 178.16 174.52 1xsm h LEU 194 N 0.12 0.66 -1.35 2.82 3.38 -0.64 -3.08 115.31 117.21 1xsm h LEU 194 Ca 0.68 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xsm h LEU 194 Cb 1.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1xsm h LEU 194 CO -0.75 1.53 -0.10 -0.26 0.09 0.00 0.00 178.44 178.94 1xsm h PHE 195 N 0.13 0.32 -0.90 1.13 0.04 0.15 -2.70 116.94 115.11 1xsm h PHE 195 Ca -0.19 -0.04 -0.57 0.00 2.80 0.00 0.00 57.97 59.98 1xsm h PHE 195 Cb 2.03 -0.09 -0.24 0.00 2.20 0.00 0.00 35.95 39.86 1xsm h PHE 195 CO 0.10 0.41 0.73 -1.71 -0.60 0.00 0.00 178.31 177.24 1xsm n ASN 196 N -4.27 7.26 -0.36 2.17 5.15 -0.16 -4.68 115.26 120.37 1xsm n ASN 196 Ca -0.00 -3.54 0.05 0.00 -0.60 0.00 0.00 54.58 50.49 1xsm n ASN 196 Cb 0.27 -1.02 0.21 0.00 -0.53 0.00 0.00 39.78 38.70 1xsm n ASN 196 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xsm h ALA 197 N 1.94 1.44 -0.25 5.20 0.00 -1.40 0.71 119.26 126.90 1xsm h ALA 197 Ca 0.50 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.49 1xsm h ALA 197 Cb 0.79 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xsm h ALA 197 CO 1.29 0.29 0.18 0.82 0.00 0.00 0.00 179.25 181.83 1xsm h ILE 198 N 1.04 0.86 0.00 0.00 2.04 -1.83 0.37 117.51 119.99 1xsm h ILE 198 Ca 0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.33 1xsm h ILE 198 Cb 0.37 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1xsm h ILE 198 CO -0.23 0.00 -0.73 -0.62 0.00 0.00 0.00 178.15 176.57 1xsm n GLU 199 N -4.44 2.14 -0.01 2.37 1.02 -0.75 -4.74 120.64 116.23 1xsm n GLU 199 Ca 0.03 -0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 1xsm n GLU 199 Cb 0.33 -1.19 -0.01 0.00 -0.02 0.00 0.00 31.44 30.55 1xsm n GLU 199 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1xsm n THR 200 N -1.37 1.13 -2.18 2.62 -2.24 0.17 -4.97 114.28 107.44 1xsm n THR 200 Ca 0.02 0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.67 1xsm n THR 200 Cb 0.23 -1.81 -0.03 0.00 -2.10 0.00 0.00 70.33 66.62 1xsm n THR 200 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1xsm s MET 201 N -2.17 3.10 0.39 -0.78 -1.94 0.13 -4.85 119.30 113.17 1xsm s MET 201 Ca -0.11 0.77 0.08 0.00 -1.71 0.00 0.00 55.69 54.72 1xsm s MET 201 Cb 0.01 -4.22 0.79 0.00 2.01 0.00 0.00 34.83 33.42 1xsm s MET 201 CO 0.16 -2.16 1.95 -1.00 -0.01 0.00 0.00 175.02 173.96 1xsm h PRO 202 N 12.78 0.36 0.00 2.03 0.13 -1.93 -1.86 132.00 143.51 1xsm h PRO 202 Ca -0.28 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xsm h PRO 202 Cb 1.13 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xsm h PRO 202 CO 1.15 0.39 0.00 0.00 -0.23 0.00 0.00 178.00 179.31 1xsm n VAL 204 N -0.88 0.00 0.17 0.00 3.14 -0.70 -4.88 118.33 115.16 1xsm n VAL 204 Ca 0.01 -0.15 -0.07 0.00 -2.96 0.00 0.00 64.34 61.17 1xsm n VAL 204 Cb 0.00 1.64 -0.03 0.00 -1.06 0.00 0.00 33.84 34.39 1xsm n VAL 204 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 1xsm h LYS 205 N 0.00 -0.43 -0.63 1.45 3.64 -1.27 -1.88 116.57 117.45 1xsm h LYS 205 Ca 0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1xsm h LYS 205 Cb 0.32 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1xsm h LYS 205 CO 0.00 -0.28 -0.51 0.87 -2.27 0.00 0.00 179.45 177.25 1xsm h LYS 206 N -0.58 -0.22 -0.02 1.90 1.57 -1.90 2.11 116.57 119.43 1xsm h LYS 206 Ca -0.05 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1xsm h LYS 206 Cb 0.34 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1xsm h LYS 206 CO 0.07 -0.15 -0.33 0.87 -0.57 0.00 0.00 179.45 179.34 1xsm h LYS 207 N -0.23 -0.46 -1.00 3.15 1.57 -1.92 1.21 116.57 118.89 1xsm h LYS 207 Ca 0.14 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1xsm h LYS 207 Cb 0.54 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 1xsm h LYS 207 CO -0.73 -0.30 0.65 0.00 -0.57 0.00 0.00 179.45 178.50 1xsm h ALA 208 N 0.24 1.36 -0.02 3.86 0.00 0.18 -1.29 119.26 123.60 1xsm h ALA 208 Ca 0.07 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1xsm h ALA 208 Cb 0.57 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xsm h ALA 208 CO -0.29 0.52 -0.75 -0.44 0.00 0.00 0.00 179.25 178.30 1xsm h ASP 209 N 1.24 0.17 -0.39 0.00 3.32 0.40 -0.92 116.42 120.24 1xsm h ASP 209 Ca 0.41 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 1xsm h ASP 209 Cb 0.05 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1xsm h ASP 209 CO -0.14 0.85 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.95 1xsm h TRP 210 N 0.09 0.78 -0.50 4.55 7.01 0.24 -2.47 115.95 125.65 1xsm h TRP 210 Ca -0.02 -0.15 -0.12 0.00 2.11 0.00 0.00 58.89 60.71 1xsm h TRP 210 Cb 1.32 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.16 1xsm h TRP 210 CO 0.02 0.81 -0.16 0.00 -2.79 0.00 0.00 178.44 176.32 1xsm h ALA 211 N 0.86 0.69 -0.40 2.65 0.00 -1.21 -3.00 119.26 118.86 1xsm h ALA 211 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xsm h ALA 211 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xsm h ALA 211 CO 0.03 0.64 0.15 -0.07 0.00 0.00 0.00 179.25 179.99 1xsm h LEU 212 N 0.85 0.51 -0.85 0.00 4.07 -1.06 -2.49 115.31 116.35 1xsm h LEU 212 Ca 0.12 -0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.13 1xsm h LEU 212 Cb 0.73 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.26 1xsm h LEU 212 CO 0.06 0.47 0.49 -0.09 -1.08 0.00 0.00 178.44 178.29 1xsm h ARG 213 N 0.56 0.78 0.00 1.13 1.12 -1.29 -1.57 114.38 115.12 1xsm h ARG 213 Ca 0.14 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.94 1xsm h ARG 213 Cb 0.13 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1xsm h ARG 213 CO -0.01 0.52 -0.11 -1.49 -3.11 0.00 0.00 179.97 175.77 1xsm h TRP 214 N 0.81 0.00 0.10 2.20 4.06 -1.52 0.76 115.95 122.37 1xsm h TRP 214 Ca 0.41 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 61.09 1xsm h TRP 214 Cb 0.39 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1xsm h TRP 214 CO -0.06 0.11 -1.18 0.82 -3.56 0.00 0.00 178.44 174.57 1xsm h ILE 215 N 0.00 1.42 -0.00 1.49 2.04 -1.33 -3.20 117.51 117.92 1xsm h ILE 215 Ca -0.00 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.10 1xsm h ILE 215 Cb 0.48 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1xsm h ILE 215 CO 0.01 0.82 -0.47 0.61 0.00 0.00 0.00 178.15 179.12 1xsm n GLY 216 N 1.35 -1.16 3.55 5.37 0.00 -0.94 -4.78 105.19 108.59 1xsm n GLY 216 Ca -0.10 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 1xsm n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xsm s ASP 217 N -2.93 5.47 -0.40 1.61 -1.08 0.26 -4.78 116.67 114.82 1xsm s ASP 217 Ca 0.13 0.22 0.03 0.00 -0.52 0.00 0.00 52.55 52.40 1xsm s ASP 217 Cb 0.18 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.63 1xsm s ASP 217 CO 0.68 -2.25 1.80 0.29 0.52 0.00 0.00 175.17 176.21 1xsm n LYS 218 N 9.19 2.09 0.00 4.34 4.76 -1.26 -3.83 118.16 133.45 1xsm n LYS 218 Ca 0.17 -2.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1xsm n LYS 218 Cb 0.51 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 1xsm n LYS 218 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1xsm n GLU 219 N -0.82 0.07 -4.32 1.97 2.13 -1.26 -5.07 120.64 113.34 1xsm n GLU 219 Ca 0.50 -0.15 -0.23 0.00 0.66 0.00 0.00 57.16 57.94 1xsm n GLU 219 Cb 1.36 -0.60 -0.08 0.00 0.27 0.00 0.00 31.44 32.39 1xsm n GLU 219 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsm s ALA 220 N -0.05 3.09 0.62 4.31 0.00 -1.25 -5.09 121.76 123.39 1xsm s ALA 220 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 51.96 50.21 1xsm s ALA 220 Cb 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1xsm s ALA 220 CO 0.00 0.28 0.96 0.95 0.00 0.00 0.00 175.76 177.95 1xsm s THR 221 N -2.30 3.70 0.20 0.00 -4.23 -1.26 -4.90 115.64 106.84 1xsm s THR 221 Ca 0.31 0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 1xsm s THR 221 Cb -0.06 -3.49 0.13 0.00 1.34 0.00 0.00 72.50 70.41 1xsm s THR 221 CO 0.19 -0.56 1.78 0.22 -0.54 0.00 0.00 174.62 175.72 1xsm h TYR 222 N -0.31 1.05 -0.88 3.99 3.20 -1.98 -0.26 116.97 121.78 1xsm h TYR 222 Ca -0.45 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.42 1xsm h TYR 222 Cb 1.25 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1xsm h TYR 222 CO 0.49 0.78 0.58 0.78 -1.64 0.00 0.00 178.16 179.15 1xsm h GLY 223 N 1.02 1.27 0.76 1.82 0.00 -1.93 0.39 103.07 106.41 1xsm h GLY 223 Ca 0.25 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1xsm h GLY 223 CO -0.03 0.31 -0.22 0.83 0.00 0.00 0.00 176.54 177.43 1xsm h GLU 224 N 1.02 0.40 -0.10 4.80 5.08 -1.67 -2.98 114.58 121.13 1xsm h GLU 224 Ca 0.37 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1xsm h GLU 224 Cb 0.16 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xsm h GLU 224 CO -0.13 0.83 -0.47 0.00 -1.00 0.00 0.00 179.01 178.24 1xsm h ARG 225 N 0.01 0.25 -0.75 2.33 3.08 -0.37 -1.76 114.38 117.16 1xsm h ARG 225 Ca 0.01 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 1xsm h ARG 225 Cb 0.79 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1xsm h ARG 225 CO 0.05 0.67 0.29 0.28 -1.07 0.00 0.00 179.97 180.18 1xsm h VAL 226 N 0.20 1.26 -0.37 2.04 2.07 -0.30 -0.08 116.25 121.07 1xsm h VAL 226 Ca 0.01 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1xsm h VAL 226 Cb 0.90 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xsm h VAL 226 CO 0.07 0.33 0.01 0.58 0.02 0.00 0.00 177.57 178.58 1xsm h VAL 227 N 1.09 1.26 -0.80 2.57 2.07 -1.32 -2.07 116.25 119.05 1xsm h VAL 227 Ca 0.25 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1xsm h VAL 227 Cb 0.23 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1xsm h VAL 227 CO -0.02 0.32 0.53 0.00 0.02 0.00 0.00 177.57 178.42 1xsm h ALA 228 N 0.88 1.02 0.00 1.67 0.00 -1.07 -0.96 119.26 120.79 1xsm h ALA 228 Ca 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1xsm h ALA 228 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xsm h ALA 228 CO 0.02 0.42 -0.28 0.74 0.00 0.00 0.00 179.25 180.14 1xsm h PHE 229 N 1.08 0.00 -0.03 0.00 -1.00 -0.83 0.23 116.94 116.38 1xsm h PHE 229 Ca 0.29 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.95 1xsm h PHE 229 Cb -0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1xsm h PHE 229 CO -0.02 0.28 -0.54 0.00 -1.61 0.00 0.00 178.31 176.42 1xsm h ALA 230 N 1.72 1.04 -0.05 2.45 0.00 -0.76 -0.47 119.26 123.19 1xsm h ALA 230 Ca -0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.18 1xsm h ALA 230 Cb 0.78 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1xsm h ALA 230 CO 0.04 0.68 -0.90 0.00 0.00 0.00 0.00 179.25 179.07 1xsm h ALA 231 N 1.39 0.31 0.88 0.00 0.00 0.38 -0.52 119.26 121.70 1xsm h ALA 231 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1xsm h ALA 231 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1xsm h ALA 231 CO 0.08 0.73 -0.43 0.28 0.00 0.00 0.00 179.25 179.91 1xsm h VAL 232 N 0.37 0.09 0.00 0.00 2.07 -0.44 0.83 116.25 119.16 1xsm h VAL 232 Ca -0.08 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1xsm h VAL 232 Cb 1.54 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1xsm h VAL 232 CO 0.17 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.43 1xsm h GLU 233 N -1.24 0.00 0.00 1.57 5.08 -1.12 -2.19 114.58 116.68 1xsm h GLU 233 Ca -0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1xsm h GLU 233 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1xsm h GLU 233 CO 0.20 0.00 -1.19 0.41 -1.00 0.00 0.00 179.01 177.43 1xsm n GLY 234 N -0.15 -0.17 0.20 -3.84 0.00 -0.20 -4.50 105.19 96.52 1xsm n GLY 234 Ca 0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1xsm n GLY 234 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xsm n ILE 235 N -1.72 1.03 0.33 -0.61 5.41 0.27 -3.83 119.36 120.23 1xsm n ILE 235 Ca -0.02 -0.35 0.12 0.00 1.00 0.00 0.00 62.75 63.51 1xsm n ILE 235 Cb 0.19 -1.34 0.53 0.00 -0.71 0.00 0.00 39.64 38.31 1xsm n ILE 235 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1xsm n PHE 236 N -3.30 0.84 0.20 1.39 3.01 -0.27 -2.88 117.46 116.45 1xsm n PHE 236 Ca -0.34 0.35 0.06 0.00 1.01 0.00 0.00 57.45 58.54 1xsm n PHE 236 Cb 0.81 -1.07 -0.09 0.00 -0.01 0.00 0.00 39.48 39.12 1xsm n PHE 236 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xsm n PHE 237 N -2.29 0.00 -0.06 1.38 3.72 -1.21 -4.72 117.46 114.28 1xsm n PHE 237 Ca 0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.34 1xsm n PHE 237 Cb 0.18 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.51 1xsm n PHE 237 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xsm h SER 238 N 0.00 -0.46 -0.38 4.37 4.64 -1.63 0.24 113.55 120.34 1xsm h SER 238 Ca 0.00 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1xsm h SER 238 Cb 0.50 0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1xsm h SER 238 CO 0.00 -0.17 0.17 1.23 -0.87 0.00 0.00 176.83 177.18 1xsm h GLY 239 N -0.11 0.59 0.91 -0.77 0.00 -1.85 -1.55 103.07 100.30 1xsm h GLY 239 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1xsm h GLY 239 CO -0.33 0.29 0.10 1.76 0.00 0.00 0.00 176.54 178.36 1xsm h SER 240 N 0.46 0.32 -0.53 0.19 0.02 -1.81 0.14 113.55 112.34 1xsm h SER 240 Ca 0.13 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xsm h SER 240 Cb 0.15 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1xsm h SER 240 CO -0.01 0.37 0.33 -0.26 -1.14 0.00 0.00 176.83 176.12 1xsm h PHE 241 N 0.24 0.63 -0.93 3.45 0.04 -0.85 -1.44 116.94 118.08 1xsm h PHE 241 Ca 0.08 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.92 1xsm h PHE 241 Cb 0.15 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 1xsm h PHE 241 CO -0.02 0.38 0.59 0.00 -0.60 0.00 0.00 178.31 178.67 1xsm h ALA 242 N 1.21 1.27 -0.22 2.45 0.00 -0.86 -0.42 119.26 122.68 1xsm h ALA 242 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1xsm h ALA 242 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1xsm h ALA 242 CO -0.07 0.39 -0.13 0.77 0.00 0.00 0.00 179.25 180.21 1xsm h SER 243 N 1.10 0.35 -0.18 0.00 0.02 -0.16 -1.66 113.55 113.02 1xsm h SER 243 Ca 0.39 -0.08 -0.21 0.00 -0.84 0.00 0.00 61.79 61.05 1xsm h SER 243 Cb 0.13 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1xsm h SER 243 CO -0.16 0.52 -0.70 0.40 -1.14 0.00 0.00 176.83 175.75 1xsm h ILE 244 N 0.35 1.28 0.00 3.27 2.04 -0.19 -2.75 117.51 121.51 1xsm h ILE 244 Ca 0.07 -1.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.01 1xsm h ILE 244 Cb 0.44 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1xsm h ILE 244 CO 0.03 0.60 -0.08 -0.26 0.00 0.00 0.00 178.15 178.44 1xsm h PHE 245 N 0.54 0.00 -0.10 1.37 0.04 -0.54 -2.40 116.94 115.85 1xsm h PHE 245 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1xsm h PHE 245 Cb 1.33 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 1xsm h PHE 245 CO 0.09 0.08 0.04 2.35 -0.60 0.00 0.00 178.31 180.26 1xsm h TRP 246 N 0.00 0.15 -0.98 -0.55 2.91 -1.04 -2.65 115.95 113.79 1xsm h TRP 246 Ca -0.00 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.12 1xsm h TRP 246 Cb 0.30 -0.04 -0.08 0.00 -0.51 0.00 0.00 29.16 28.83 1xsm h TRP 246 CO 0.00 0.25 0.62 -0.07 -1.03 0.00 0.00 178.44 178.21 1xsm h LEU 247 N 0.00 0.91 -0.73 0.65 3.38 -1.19 -2.33 115.31 116.01 1xsm h LEU 247 Ca 0.03 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1xsm h LEU 247 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1xsm h LEU 247 CO -0.00 0.50 0.25 0.50 0.09 0.00 0.00 178.44 179.78 1xsm h LYS 248 N 1.00 1.12 -0.44 1.13 3.64 -1.37 -1.38 116.57 120.28 1xsm h LYS 248 Ca 0.48 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1xsm h LYS 248 Cb 0.43 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1xsm h LYS 248 CO -0.25 0.95 0.23 -0.22 -2.27 0.00 0.00 179.45 177.88 1xsm h LYS 249 N 1.07 0.44 -0.28 1.90 3.64 -1.07 -0.81 116.57 121.47 1xsm h LYS 249 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1xsm h LYS 249 Cb 0.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1xsm h LYS 249 CO -0.01 0.29 0.00 0.54 -2.27 0.00 0.00 179.45 178.00 1xsm n ARG 250 N -4.90 0.81 -0.77 1.90 1.74 -0.59 -4.88 116.66 109.97 1xsm n ARG 250 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1xsm n ARG 250 Cb 0.10 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1xsm n ARG 250 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xsm n GLY 251 N 0.24 0.34 3.89 -0.13 0.00 -0.31 -5.01 105.19 104.21 1xsm n GLY 251 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xsm n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xsm s LEU 252 N 0.00 3.75 -0.38 0.99 1.43 -0.78 -4.74 118.68 118.95 1xsm s LEU 252 Ca 0.00 0.98 -0.19 0.00 -1.03 0.00 0.00 54.13 53.89 1xsm s LEU 252 Cb 0.00 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.35 1xsm s LEU 252 CO 0.00 -0.47 0.44 0.23 0.23 0.00 0.00 176.35 176.78 1xsm n MET 253 N -1.77 -1.23 -0.33 1.70 2.81 -1.26 -4.31 117.12 112.73 1xsm n MET 253 Ca 0.01 0.82 0.07 0.00 -1.81 0.00 0.00 57.70 56.79 1xsm n MET 253 Cb 0.55 -1.40 0.23 0.00 -0.71 0.00 0.00 33.22 31.89 1xsm n MET 253 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1xsm h PRO 254 N 1.02 0.79 -0.29 0.03 0.13 -1.97 -1.02 132.00 130.69 1xsm h PRO 254 Ca -0.41 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 1xsm h PRO 254 Cb 0.96 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1xsm h PRO 254 CO 0.19 0.52 -0.15 0.78 -0.23 0.00 0.00 178.00 179.11 1xsm h GLY 255 N 0.81 0.67 1.81 1.56 0.00 -1.91 0.80 103.07 106.82 1xsm h GLY 255 Ca 0.48 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1xsm h GLY 255 CO -0.31 0.55 -0.18 -2.00 0.00 0.00 0.00 176.54 174.61 1xsm h LEU 256 N 0.36 0.22 0.00 3.11 5.85 -1.81 -2.20 115.31 120.83 1xsm h LEU 256 Ca 0.06 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.51 1xsm h LEU 256 Cb 0.67 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1xsm h LEU 256 CO 0.04 0.42 -1.58 0.35 -0.34 0.00 0.00 178.44 177.34 1xsm n THR 257 N -4.23 1.37 -0.11 1.05 -2.24 -0.43 -2.65 114.28 107.04 1xsm n THR 257 Ca -0.01 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 1xsm n THR 257 Cb 0.30 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 1xsm n THR 257 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1xsm h PHE 258 N 0.00 1.01 -0.70 4.78 3.57 0.78 -2.97 116.94 123.40 1xsm h PHE 258 Ca -0.23 -0.30 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 1xsm h PHE 258 Cb 1.79 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 1xsm h PHE 258 CO 0.00 1.09 0.32 0.66 -2.23 0.00 0.00 178.31 178.15 1xsm h SER 259 N 0.64 0.94 -0.44 0.41 4.64 -1.49 -2.11 113.55 116.14 1xsm h SER 259 Ca 0.06 -0.15 0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1xsm h SER 259 Cb 0.91 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1xsm h SER 259 CO 0.08 0.82 0.39 -1.13 -0.87 0.00 0.00 176.83 176.12 1xsm h ASN 260 N 0.99 0.00 0.17 4.97 -1.24 -1.42 0.23 115.58 119.28 1xsm h ASN 260 Ca 0.24 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 57.03 1xsm h ASN 260 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1xsm h ASN 260 CO -0.03 0.00 -0.86 -0.33 -1.29 0.00 0.00 177.43 174.92 1xsm h GLU 261 N 0.00 0.53 0.17 6.67 5.08 -1.23 -1.39 114.58 124.41 1xsm h GLU 261 Ca 0.21 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1xsm h GLU 261 Cb 0.98 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1xsm h GLU 261 CO -0.00 1.13 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.98 1xsm h LEU 262 N 0.33 -0.20 -0.41 1.33 3.38 -0.55 -2.67 115.31 116.52 1xsm h LEU 262 Ca -0.07 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1xsm h LEU 262 Cb 1.48 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.24 1xsm h LEU 262 CO 0.16 0.25 0.17 0.40 0.09 0.00 0.00 178.44 179.51 1xsm h ILE 263 N -0.69 0.92 -0.54 1.22 2.04 -1.10 -1.29 117.51 118.07 1xsm h ILE 263 Ca -0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1xsm h ILE 263 Cb 0.49 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1xsm h ILE 263 CO 0.04 0.06 0.29 0.77 0.00 0.00 0.00 178.15 179.31 1xsm h SER 264 N 0.35 0.67 0.46 1.72 4.64 -1.34 0.56 113.55 120.61 1xsm h SER 264 Ca 0.18 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 1xsm h SER 264 Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1xsm h SER 264 CO -0.16 0.55 -0.55 -0.09 -0.87 0.00 0.00 176.83 175.70 1xsm h ARG 265 N 0.76 0.10 -0.05 4.77 2.43 -1.04 -2.00 114.38 119.36 1xsm h ARG 265 Ca 0.19 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1xsm h ARG 265 Cb 0.03 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1xsm h ARG 265 CO -0.03 0.63 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.60 1xsm h ASP 266 N 0.08 0.09 -0.27 -3.80 3.32 0.07 -3.00 116.42 112.91 1xsm h ASP 266 Ca -0.00 -0.39 0.08 0.00 0.02 0.00 0.00 57.03 56.74 1xsm h ASP 266 Cb 1.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1xsm h ASP 266 CO 0.08 0.46 0.20 -0.33 -1.72 0.00 0.00 179.24 177.93 1xsm h GLU 267 N -0.28 0.00 -0.35 3.56 4.39 -0.86 -1.40 114.58 119.65 1xsm h GLU 267 Ca 0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1xsm h GLU 267 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1xsm h GLU 267 CO 0.01 0.00 0.07 0.78 -1.16 0.00 0.00 179.01 178.70 1xsm h GLY 268 N 0.00 0.61 1.53 -3.84 0.00 -1.23 -0.99 103.07 99.15 1xsm h GLY 268 Ca 0.13 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1xsm h GLY 268 CO -0.00 0.37 -0.10 -2.00 0.00 0.00 0.00 176.54 174.81 1xsm h LEU 269 N 0.41 0.56 -1.22 3.11 5.85 -1.18 0.16 115.31 123.00 1xsm h LEU 269 Ca 0.11 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1xsm h LEU 269 Cb 0.33 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1xsm h LEU 269 CO 0.00 0.69 -0.38 0.45 -0.34 0.00 0.00 178.44 178.87 1xsm h HIS 270 N 0.53 0.02 -0.01 1.25 3.86 -0.92 -0.36 115.15 119.51 1xsm h HIS 270 Ca 0.10 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.19 1xsm h HIS 270 Cb 0.49 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.97 1xsm h HIS 270 CO 0.02 0.40 -0.42 0.00 0.86 0.00 0.00 177.93 178.78 1xsm h ASP 272 N -0.27 0.54 -0.45 0.00 3.32 -0.36 -2.38 116.42 116.81 1xsm h ASP 272 Ca -0.05 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1xsm h ASP 272 Cb 1.14 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1xsm h ASP 272 CO 0.08 0.37 -0.17 0.15 -1.72 0.00 0.00 179.24 177.95 1xsm h PHE 273 N 0.62 1.07 -0.92 4.55 3.57 -1.04 -2.37 116.94 122.43 1xsm h PHE 273 Ca 0.23 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xsm h PHE 273 Cb 0.15 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1xsm h PHE 273 CO -0.00 1.03 0.58 0.00 -2.23 0.00 0.00 178.31 177.70 1xsm h ALA 274 N 0.96 1.30 -0.04 2.41 0.00 -1.24 -1.17 119.26 121.49 1xsm h ALA 274 Ca 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xsm h ALA 274 Cb 0.72 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xsm h ALA 274 CO 0.06 0.63 -0.18 0.00 0.00 0.00 0.00 179.25 179.75 1xsm h LEU 276 N 0.06 0.94 -0.22 0.00 5.85 -0.90 -0.96 115.31 120.09 1xsm h LEU 276 Ca 0.01 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 1xsm h LEU 276 Cb 0.36 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xsm h LEU 276 CO 0.02 1.39 0.02 0.24 -0.34 0.00 0.00 178.44 179.78 1xsm h MET 277 N 0.56 0.38 -0.53 1.25 2.86 -0.98 -2.16 114.93 116.31 1xsm h MET 277 Ca -0.04 -0.11 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1xsm h MET 277 Cb 1.36 -0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.88 1xsm h MET 277 CO 0.15 0.54 -0.11 0.35 1.06 0.00 0.00 176.91 178.90 1xsm h PHE 278 N 0.17 -0.24 -0.67 -0.22 3.57 -1.11 0.14 116.94 118.58 1xsm h PHE 278 Ca 0.07 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1xsm h PHE 278 Cb 0.35 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1xsm h PHE 278 CO 0.03 -0.21 0.45 0.87 -2.23 0.00 0.00 178.31 177.21 1xsm h LYS 279 N 0.02 0.41 -0.11 1.11 1.57 -0.71 -1.43 116.57 117.42 1xsm h LYS 279 Ca 0.26 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1xsm h LYS 279 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1xsm h LYS 279 CO -0.53 0.27 0.00 0.72 -0.57 0.00 0.00 179.45 179.34 1xsm n HIS 280 N -4.47 0.14 -3.17 -1.35 8.25 0.47 -4.83 115.22 110.26 1xsm n HIS 280 Ca 0.12 -0.07 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 1xsm n HIS 280 Cb 0.44 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.49 1xsm n HIS 280 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xsm s LEU 281 N -1.48 4.52 -0.14 2.41 1.02 -0.54 -4.61 118.68 119.87 1xsm s LEU 281 Ca 0.27 1.39 -0.08 0.00 0.02 0.00 0.00 54.13 55.72 1xsm s LEU 281 Cb 0.14 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.21 1xsm s LEU 281 CO 0.21 0.22 -0.10 0.58 0.02 0.00 0.00 176.35 177.29 1xsm h VAL 282 N 3.36 0.09 -2.32 -1.59 2.07 -1.88 -3.43 116.25 112.55 1xsm h VAL 282 Ca -0.49 -1.10 -0.70 0.00 0.82 0.00 0.00 66.70 65.23 1xsm h VAL 282 Cb 1.21 0.21 -0.17 0.00 -1.52 0.00 0.00 31.29 31.01 1xsm h VAL 282 CO 0.64 0.03 0.98 -1.00 0.02 0.00 0.00 177.57 178.25 1xsm s HIS 283 N -2.10 3.21 0.34 1.57 3.76 -1.26 -5.02 115.29 115.78 1xsm s HIS 283 Ca -0.13 -1.58 0.07 0.00 -0.15 0.00 0.00 55.06 53.28 1xsm s HIS 283 Cb 0.02 -4.30 -0.02 0.00 1.11 0.00 0.00 32.58 29.39 1xsm s HIS 283 CO 0.21 -1.47 0.34 -1.59 -0.85 0.00 0.00 174.74 171.37 1xsm s LYS 284 N 2.44 2.78 0.85 1.40 -2.85 -1.26 -4.80 119.74 118.30 1xsm s LYS 284 Ca 0.35 -1.26 -0.13 0.00 -1.00 0.00 0.00 55.97 53.94 1xsm s LYS 284 Cb -0.04 -2.54 0.09 0.00 -2.06 0.00 0.00 37.83 33.28 1xsm s LYS 284 CO -0.07 0.06 1.08 -0.35 0.10 0.00 0.00 175.35 176.16 1xsm n PRO 285 N -1.45 -0.02 -1.97 1.78 -0.04 -1.26 -4.95 135.00 127.09 1xsm n PRO 285 Ca -0.01 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1xsm n PRO 285 Cb 0.60 -2.33 0.03 0.00 -0.04 0.00 0.00 33.50 31.75 1xsm n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xsm s ALA 286 N -2.27 2.59 0.51 0.55 0.00 -1.26 -4.80 121.76 117.08 1xsm s ALA 286 Ca 0.70 0.62 0.24 0.00 0.00 0.00 0.00 51.96 53.52 1xsm s ALA 286 Cb -0.27 -3.32 1.34 0.00 0.00 0.00 0.00 23.12 20.87 1xsm s ALA 286 CO 0.55 -1.03 1.96 1.49 0.00 0.00 0.00 175.76 178.73 1xsm h GLU 287 N 0.49 0.09 -0.12 0.00 4.81 -2.00 0.12 114.58 117.98 1xsm h GLU 287 Ca -0.48 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1xsm h GLU 287 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1xsm h GLU 287 CO 0.55 0.06 -0.52 1.96 -0.73 0.00 0.00 179.01 180.34 1xsm h GLN 288 N 0.09 0.33 -0.20 1.92 1.08 -1.99 -2.29 115.11 114.05 1xsm h GLN 288 Ca 0.31 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1xsm h GLN 288 Cb 1.11 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1xsm h GLN 288 CO -0.03 0.77 -0.14 -0.09 -0.95 0.00 0.00 178.83 178.39 1xsm h ARG 289 N 0.26 0.44 -0.71 1.46 9.65 -1.14 -2.07 114.38 122.28 1xsm h ARG 289 Ca 0.01 -0.21 0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1xsm h ARG 289 Cb 1.00 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.52 1xsm h ARG 289 CO 0.08 0.76 0.41 0.28 2.80 0.00 0.00 179.97 184.30 1xsm h VAL 290 N 0.13 0.98 -0.58 0.20 2.07 -1.30 -1.42 116.25 116.32 1xsm h VAL 290 Ca 0.04 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1xsm h VAL 290 Cb 0.65 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1xsm h VAL 290 CO 0.04 0.14 0.22 0.03 0.02 0.00 0.00 177.57 178.01 1xsm h ARG 291 N 0.75 0.85 -0.07 1.57 3.08 -1.35 -1.08 114.38 118.12 1xsm h ARG 291 Ca 0.32 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 60.01 1xsm h ARG 291 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1xsm h ARG 291 CO -0.18 0.71 -0.83 1.05 -1.07 0.00 0.00 179.97 179.65 1xsm h GLU 292 N 0.84 0.56 -0.40 0.04 4.11 -0.62 -0.08 114.58 119.03 1xsm h GLU 292 Ca 0.20 -0.51 -0.08 0.00 0.07 0.00 0.00 59.36 59.04 1xsm h GLU 292 Cb 0.19 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1xsm h GLU 292 CO -0.02 1.13 -0.09 0.82 0.07 0.00 0.00 179.01 180.93 1xsm h ILE 293 N 0.36 1.25 -0.18 -1.06 2.04 -1.02 -0.66 117.51 118.24 1xsm h ILE 293 Ca -0.06 -1.08 -0.14 0.00 1.00 0.00 0.00 64.86 64.57 1xsm h ILE 293 Cb 1.44 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1xsm h ILE 293 CO 0.15 0.37 -0.45 0.40 0.00 0.00 0.00 178.15 178.62 1xsm h ILE 294 N 0.64 1.33 0.09 -0.67 1.08 -1.08 -2.07 117.51 116.83 1xsm h ILE 294 Ca 0.11 -1.70 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1xsm h ILE 294 Cb 0.53 1.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 1xsm h ILE 294 CO 0.03 0.52 -0.08 0.74 -0.69 0.00 0.00 178.15 178.68 1xsm h THR 295 N 0.29 0.82 -0.84 -0.27 2.02 -0.92 0.70 112.91 114.73 1xsm h THR 295 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1xsm h THR 295 Cb 1.07 0.82 -0.09 0.00 -1.74 0.00 0.00 68.15 68.21 1xsm h THR 295 CO 0.10 0.00 0.43 0.78 0.37 0.00 0.00 175.52 177.20 1xsm h ASN 296 N -0.18 0.52 0.44 4.18 2.35 -1.09 0.90 115.58 122.70 1xsm h ASN 296 Ca 0.00 0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1xsm h ASN 296 Cb 0.17 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1xsm h ASN 296 CO -0.02 0.23 -0.57 0.00 -1.65 0.00 0.00 177.43 175.42 1xsm h ALA 297 N 1.54 0.96 -0.25 -0.83 0.00 -0.63 -2.75 119.26 117.30 1xsm h ALA 297 Ca 0.45 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xsm h ALA 297 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xsm h ALA 297 CO -0.35 0.71 0.08 0.28 0.00 0.00 0.00 179.25 179.97 1xsm h VAL 298 N 0.10 1.19 -0.19 0.00 2.07 0.15 -0.61 116.25 118.97 1xsm h VAL 298 Ca -0.00 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1xsm h VAL 298 Cb 1.04 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1xsm h VAL 298 CO 0.08 0.20 -0.01 0.03 0.02 0.00 0.00 177.57 177.90 1xsm h ARG 299 N 0.23 0.05 -0.75 1.57 2.47 -1.24 -0.75 114.38 115.97 1xsm h ARG 299 Ca 0.08 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1xsm h ARG 299 Cb 0.23 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1xsm h ARG 299 CO -0.00 0.03 0.50 0.82 0.56 0.00 0.00 179.97 181.88 1xsm h ILE 300 N 0.05 1.18 -0.42 2.04 2.04 -1.30 -1.14 117.51 119.96 1xsm h ILE 300 Ca 0.09 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1xsm h ILE 300 Cb 0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1xsm h ILE 300 CO -0.16 0.18 -0.27 -0.08 0.00 0.00 0.00 178.15 177.83 1xsm h GLU 301 N 1.00 0.89 -0.24 2.37 4.57 -0.16 -2.45 114.58 120.57 1xsm h GLU 301 Ca 0.28 -0.40 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1xsm h GLU 301 Cb -0.09 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1xsm h GLU 301 CO -0.06 1.05 0.04 1.96 -1.18 0.00 0.00 179.01 180.81 1xsm h GLN 302 N 0.76 0.39 -0.72 1.92 4.20 -0.84 -0.97 115.11 119.86 1xsm h GLN 302 Ca 0.09 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1xsm h GLN 302 Cb 0.82 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.51 1xsm h GLN 302 CO 0.07 0.52 0.45 1.49 -0.67 0.00 0.00 178.83 180.69 1xsm h GLU 303 N 0.20 0.86 -0.44 1.46 4.81 -1.16 -2.00 114.58 118.31 1xsm h GLU 303 Ca 0.07 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1xsm h GLU 303 Cb 0.32 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1xsm h GLU 303 CO 0.00 0.57 0.05 0.35 -0.73 0.00 0.00 179.01 179.25 1xsm h PHE 304 N 0.89 0.71 -0.00 0.92 3.57 -1.05 0.18 116.94 122.14 1xsm h PHE 304 Ca 0.29 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1xsm h PHE 304 Cb 0.01 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1xsm h PHE 304 CO -0.04 0.64 -0.09 1.28 -2.23 0.00 0.00 178.31 177.87 1xsm n LEU 305 N -4.27 0.33 0.00 0.59 4.77 -0.40 -1.00 117.00 117.02 1xsm n LEU 305 Ca 0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1xsm n LEU 305 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1xsm n LEU 305 CO 0.40 0.06 -0.16 0.35 -1.33 0.00 0.00 177.39 176.71 1xsm n THR 306 N -1.09 0.00 0.01 -5.08 -2.24 -0.91 -2.40 114.28 102.57 1xsm n THR 306 Ca 0.14 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1xsm n THR 306 Cb 0.27 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1xsm n THR 306 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xsm n GLU 307 N -0.60 0.05 -0.19 -0.78 1.02 0.58 -4.45 120.64 116.28 1xsm n GLU 307 Ca 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1xsm n GLU 307 Cb 0.00 -0.39 0.09 0.00 -0.02 0.00 0.00 31.44 31.13 1xsm n GLU 307 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsm h ALA 308 N -0.30 0.71 -1.96 0.62 0.00 -1.48 -3.36 119.26 113.49 1xsm h ALA 308 Ca 0.00 0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 1xsm h ALA 308 Cb 0.10 0.07 -0.36 0.00 0.00 0.00 0.00 17.79 17.60 1xsm h ALA 308 CO 0.00 -0.22 -0.99 -0.11 0.00 0.00 0.00 179.25 177.93 1xsm n LEU 309 N -5.02 -0.45 -4.71 0.00 0.00 -0.17 -4.96 117.00 101.70 1xsm n LEU 309 Ca 0.07 -4.40 -0.42 0.00 0.00 0.00 0.00 56.01 51.26 1xsm n LEU 309 Cb 0.25 0.62 -0.03 0.00 0.00 0.00 0.00 43.42 44.27 1xsm n LEU 309 CO 0.22 1.98 1.25 -2.84 0.00 0.00 0.00 177.39 178.00 1xsm s PRO 310 N -0.50 4.22 0.21 1.96 0.02 -1.26 -4.38 135.00 135.27 1xsm s PRO 310 Ca 0.34 2.34 0.13 0.00 0.02 0.00 0.00 61.00 63.83 1xsm s PRO 310 Cb 0.12 -3.28 0.70 0.00 0.02 0.00 0.00 34.50 32.06 1xsm s PRO 310 CO -0.15 -0.63 1.37 1.33 -0.33 0.00 0.00 177.00 178.58 1xsm n VAL 311 N 4.17 1.26 -0.16 3.83 0.24 -1.01 -1.67 118.33 124.99 1xsm n VAL 311 Ca 0.14 0.66 -0.03 0.00 -2.04 0.00 0.00 64.34 63.07 1xsm n VAL 311 Cb 0.39 -1.66 0.03 0.00 -1.47 0.00 0.00 33.84 31.14 1xsm n VAL 311 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1xsm h LYS 312 N 0.00 -0.01 -1.32 7.34 3.64 -1.85 0.63 116.57 124.99 1xsm h LYS 312 Ca 0.00 0.00 0.45 0.00 -1.27 0.00 0.00 60.65 59.83 1xsm h LYS 312 Cb 0.11 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.81 1xsm h LYS 312 CO 0.00 -0.01 0.86 1.28 -2.27 0.00 0.00 179.45 179.31 1xsm n LEU 313 N -5.37 0.18 -0.72 5.20 4.77 -0.67 0.26 117.00 120.66 1xsm n LEU 313 Ca 0.04 1.27 0.06 0.00 -0.03 0.00 0.00 56.01 57.36 1xsm n LEU 313 Cb 0.27 -0.63 0.22 0.00 -2.33 0.00 0.00 43.42 40.95 1xsm n LEU 313 CO 0.10 -1.38 0.66 2.30 -1.33 0.00 0.00 177.39 177.74 1xsm n ILE 314 N -4.53 2.24 -2.51 -0.08 -5.35 -0.44 -4.02 119.36 104.66 1xsm n ILE 314 Ca 0.38 -2.19 -0.01 0.00 -0.27 0.00 0.00 62.75 60.66 1xsm n ILE 314 Cb 1.49 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.13 1xsm n ILE 314 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xsm n GLY 315 N -0.88 0.90 3.48 3.28 0.00 0.73 -4.98 105.19 107.72 1xsm n GLY 315 Ca 0.22 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1xsm n GLY 315 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xsm s MET 316 N -5.00 1.73 -0.45 1.61 -1.94 0.08 -4.96 119.30 110.37 1xsm s MET 316 Ca 0.02 -1.52 -0.25 0.00 -1.71 0.00 0.00 55.69 52.23 1xsm s MET 316 Cb -0.01 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 34.94 1xsm s MET 316 CO 0.02 0.39 0.91 1.21 -0.01 0.00 0.00 175.02 177.54 1xsm s ASN 317 N -2.97 6.50 0.59 3.03 3.84 -1.26 -2.97 114.94 121.71 1xsm s ASN 317 Ca 0.25 0.14 0.29 0.00 0.21 0.00 0.00 52.86 53.74 1xsm s ASN 317 Cb -0.07 -2.45 1.66 0.00 -0.55 0.00 0.00 41.25 39.84 1xsm s ASN 317 CO 0.13 -1.03 2.09 0.00 -2.79 0.00 0.00 177.10 175.50 1xsm h THR 319 N 0.00 1.38 0.00 0.00 2.02 -1.98 -2.56 112.91 111.77 1xsm h THR 319 Ca 0.09 -2.65 -0.10 0.00 0.77 0.00 0.00 66.41 64.51 1xsm h THR 319 Cb 0.51 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1xsm h THR 319 CO -0.00 0.79 -0.50 -0.07 0.37 0.00 0.00 175.52 176.11 1xsm h LEU 320 N 0.19 0.00 0.28 2.58 3.38 -1.87 -2.99 115.31 116.88 1xsm h LEU 320 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xsm h LEU 320 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1xsm h LEU 320 CO 0.21 0.50 -0.13 -0.03 0.09 0.00 0.00 178.44 179.07 1xsm h MET 321 N 0.00 -0.36 -0.89 1.13 4.05 -1.29 -2.47 114.93 115.09 1xsm h MET 321 Ca -0.00 0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.67 1xsm h MET 321 Cb 0.97 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.80 1xsm h MET 321 CO 0.06 -0.20 0.61 0.87 0.23 0.00 0.00 176.91 178.49 1xsm h LYS 322 N -0.44 0.21 0.00 0.39 1.57 -1.37 -0.89 116.57 116.04 1xsm h LYS 322 Ca -0.04 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1xsm h LYS 322 Cb 0.33 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1xsm h LYS 322 CO 0.06 0.14 -0.84 0.37 -0.57 0.00 0.00 179.45 178.61 1xsm h GLN 323 N 0.22 0.00 -0.19 3.15 4.15 -1.35 -3.25 115.11 117.83 1xsm h GLN 323 Ca 0.45 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.70 1xsm h GLN 323 Cb 1.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1xsm h GLN 323 CO -0.10 0.54 -0.54 -0.92 -1.93 0.00 0.00 178.83 175.88 1xsm h TYR 324 N 0.00 0.90 -0.46 3.99 3.20 -0.73 -1.71 116.97 122.16 1xsm h TYR 324 Ca -0.05 -0.36 0.09 0.00 3.14 0.00 0.00 58.73 61.55 1xsm h TYR 324 Cb 1.52 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.55 1xsm h TYR 324 CO 0.00 1.15 -0.09 0.82 -1.64 0.00 0.00 178.16 178.40 1xsm h ILE 325 N 0.39 0.56 -0.81 1.81 1.08 -1.47 0.45 117.51 119.53 1xsm h ILE 325 Ca -0.01 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 1xsm h ILE 325 Cb 1.16 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1xsm h ILE 325 CO 0.12 0.00 0.41 -0.33 -0.69 0.00 0.00 178.15 177.65 1xsm h GLU 326 N 0.02 1.15 -0.35 2.37 5.08 -1.59 0.17 114.58 121.42 1xsm h GLU 326 Ca 0.22 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xsm h GLU 326 Cb 0.34 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xsm h GLU 326 CO -0.45 0.87 0.03 0.35 -1.00 0.00 0.00 179.01 178.80 1xsm h PHE 327 N 1.14 0.65 -0.54 4.33 3.57 -0.41 -1.32 116.94 124.36 1xsm h PHE 327 Ca 0.28 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1xsm h PHE 327 Cb 0.09 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1xsm h PHE 327 CO 0.01 0.69 0.31 0.28 -2.23 0.00 0.00 178.31 177.37 1xsm h VAL 328 N 0.42 1.03 -0.57 1.41 2.07 0.68 -2.22 116.25 119.08 1xsm h VAL 328 Ca 0.10 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1xsm h VAL 328 Cb 0.41 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1xsm h VAL 328 CO 0.01 0.11 0.37 0.00 0.02 0.00 0.00 177.57 178.08 1xsm h ALA 329 N 1.26 0.72 -0.49 1.67 0.00 -0.49 -2.62 119.26 119.32 1xsm h ALA 329 Ca 0.23 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1xsm h ALA 329 Cb 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xsm h ALA 329 CO -0.12 0.13 -0.02 -0.44 0.00 0.00 0.00 179.25 178.81 1xsm h ASP 330 N 0.75 0.79 -0.80 0.00 3.32 -1.03 -1.31 116.42 118.14 1xsm h ASP 330 Ca 0.21 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1xsm h ASP 330 Cb -0.06 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1xsm h ASP 330 CO -0.06 0.87 0.47 0.03 -1.72 0.00 0.00 179.24 178.83 1xsm h ARG 331 N 0.76 1.10 -0.32 3.56 3.08 -1.14 -2.13 114.38 119.29 1xsm h ARG 331 Ca 0.14 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1xsm h ARG 331 Cb 0.49 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xsm h ARG 331 CO 0.02 0.79 0.07 1.25 -1.07 0.00 0.00 179.97 181.04 1xsm h LEU 332 N 1.11 0.49 -0.73 3.04 5.85 -1.13 -1.38 115.31 122.56 1xsm h LEU 332 Ca 0.29 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1xsm h LEU 332 Cb -0.02 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.81 1xsm h LEU 332 CO -0.05 0.60 0.36 0.24 -0.34 0.00 0.00 178.44 179.25 1xsm h MET 333 N 0.36 0.58 -0.55 1.25 2.86 -1.02 0.40 114.93 118.82 1xsm h MET 333 Ca 0.10 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1xsm h MET 333 Cb 0.31 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1xsm h MET 333 CO 0.00 0.39 -0.11 -0.07 1.06 0.00 0.00 176.91 178.18 1xsm h LEU 334 N 0.60 1.05 -1.88 1.22 3.38 -1.23 -0.97 115.31 117.49 1xsm h LEU 334 Ca 0.36 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xsm h LEU 334 Cb 0.40 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xsm h LEU 334 CO -0.28 1.16 -0.13 -0.33 0.09 0.00 0.00 178.44 178.95 1xsm h GLU 335 N 0.93 0.00 -0.00 1.13 5.08 -0.23 -1.71 114.58 119.77 1xsm h GLU 335 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xsm h GLU 335 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xsm h GLU 335 CO 0.05 0.13 -0.10 1.28 -1.00 0.00 0.00 179.01 179.37 1xsm n LEU 336 N -3.98 0.51 0.00 1.33 4.77 0.03 -4.90 117.00 114.76 1xsm n LEU 336 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1xsm n LEU 336 Cb 0.22 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1xsm n LEU 336 CO 0.32 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xsm n GLY 337 N 1.25 0.87 3.92 -0.72 0.00 -0.64 -4.93 105.19 104.93 1xsm n GLY 337 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1xsm n GLY 337 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xsm s PHE 338 N -2.04 1.75 0.69 1.61 0.08 -0.47 -4.98 117.98 114.61 1xsm s PHE 338 Ca 0.00 -0.77 -0.11 0.00 0.12 0.00 0.00 56.93 56.17 1xsm s PHE 338 Cb 0.00 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 1xsm s PHE 338 CO 0.00 -0.55 1.08 -0.80 -0.10 0.00 0.00 175.22 174.85 1xsm s ASN 339 N -4.33 5.60 0.77 1.36 0.01 -1.26 -3.85 114.94 113.24 1xsm s ASN 339 Ca 0.41 1.17 -0.11 0.00 -0.71 0.00 0.00 52.86 53.62 1xsm s ASN 339 Cb -0.03 -2.02 0.06 0.00 0.41 0.00 0.00 41.25 39.67 1xsm s ASN 339 CO 0.25 -1.24 1.10 -0.54 -1.51 0.00 0.00 177.10 175.16 1xsm s LYS 340 N -5.31 2.22 -0.21 -0.60 1.02 -1.26 -4.69 119.74 110.90 1xsm s LYS 340 Ca 0.57 1.23 -0.15 0.00 0.02 0.00 0.00 55.97 57.65 1xsm s LYS 340 Cb -0.11 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 1xsm s LYS 340 CO 0.52 -1.68 -0.34 -0.89 -0.92 0.00 0.00 175.35 172.05 1xsm n ILE 341 N -3.43 1.47 -0.00 2.17 5.41 -1.26 -4.77 119.36 118.94 1xsm n ILE 341 Ca 0.10 -0.10 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1xsm n ILE 341 Cb 0.53 -2.09 -0.11 0.00 -0.71 0.00 0.00 39.64 37.25 1xsm n ILE 341 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1xsm n PHE 342 N -4.30 0.78 -3.73 1.39 3.72 -1.26 -5.01 117.46 109.05 1xsm n PHE 342 Ca -0.32 0.27 -0.22 0.00 -0.05 0.00 0.00 57.45 57.13 1xsm n PHE 342 Cb 0.67 -1.06 0.03 0.00 -0.94 0.00 0.00 39.48 38.18 1xsm n PHE 342 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xsm n ARG 343 N -2.86 -4.93 -4.10 -1.08 1.74 -1.26 -5.01 116.66 99.16 1xsm n ARG 343 Ca -0.14 0.61 -0.27 0.00 -0.77 0.00 0.00 57.85 57.28 1xsm n ARG 343 Cb 0.92 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 27.11 1xsm n ARG 343 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xsm s VAL 344 N -3.65 4.34 0.48 1.55 -7.23 -1.26 -5.14 120.40 109.50 1xsm s VAL 344 Ca 0.06 -1.09 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1xsm s VAL 344 Cb -0.03 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.70 1xsm s VAL 344 CO 0.82 -0.06 0.76 -1.61 -0.31 0.00 0.00 175.10 174.70 1xsm s GLU 345 N -2.93 3.36 -0.14 4.82 0.41 -1.26 -4.71 118.70 118.25 1xsm s GLU 345 Ca 0.30 0.01 -0.29 0.00 -0.41 0.00 0.00 54.97 54.57 1xsm s GLU 345 Cb -0.10 -2.41 -0.02 0.00 -1.78 0.00 0.00 34.13 29.81 1xsm s GLU 345 CO 0.22 -0.26 1.26 1.21 -0.49 0.00 0.00 175.26 177.20 1xsm s ASN 346 N -4.15 6.96 0.28 -0.19 2.47 -1.26 -4.79 114.94 114.26 1xsm s ASN 346 Ca 0.48 1.74 0.25 0.00 0.42 0.00 0.00 52.86 55.75 1xsm s ASN 346 Cb -0.10 -2.54 0.55 0.00 -1.45 0.00 0.00 41.25 37.70 1xsm s ASN 346 CO 0.43 -0.73 1.62 1.55 -3.72 0.00 0.00 177.10 176.26 1xsm h PRO 347 N 8.07 0.00 -4.42 0.43 0.13 -1.88 -3.44 132.00 130.90 1xsm h PRO 347 Ca -0.29 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.12 1xsm h PRO 347 Cb 1.12 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.03 1xsm h PRO 347 CO 0.95 0.00 -0.39 -0.06 -0.23 0.00 0.00 178.00 178.27 1xsm s PHE 348 N -3.16 3.24 0.21 1.56 0.08 -1.26 -4.95 117.98 113.70 1xsm s PHE 348 Ca 0.08 -0.76 -0.17 0.00 0.12 0.00 0.00 56.93 56.20 1xsm s PHE 348 Cb 0.10 -2.84 0.21 0.00 -0.57 0.00 0.00 43.02 39.92 1xsm s PHE 348 CO 0.65 -0.68 1.59 0.38 -0.10 0.00 0.00 175.22 177.05 1xsm h ASP 349 N 8.68 -1.04 0.39 1.36 2.03 -1.99 -2.74 116.42 123.10 1xsm h ASP 349 Ca -0.28 0.24 -0.02 0.00 -0.73 0.00 0.00 57.03 56.24 1xsm h ASP 349 Cb 1.11 0.57 -0.00 0.00 -0.83 0.00 0.00 39.33 40.18 1xsm h ASP 349 CO 0.79 -0.28 -0.11 2.19 -1.03 0.00 0.00 179.24 180.80 1xsm h PHE 350 N -0.08 0.00 -0.34 4.15 -5.15 -2.00 -3.11 116.94 110.41 1xsm h PHE 350 Ca 0.30 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.07 1xsm h PHE 350 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.73 1xsm h PHE 350 CO -0.66 0.11 0.00 -1.33 -2.00 0.00 0.00 178.31 174.43 1xsm n MET 351 N -3.59 2.24 0.00 6.09 2.81 -1.03 -5.11 117.12 118.52 1xsm n MET 351 Ca -0.02 -1.41 0.07 0.00 -1.81 0.00 0.00 57.70 54.54 1xsm n MET 351 Cb 0.24 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.30 1xsm n MET 351 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87