#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i2r s ASP 3 N 0.00 6.00 0.19 3.42 -4.77 -1.26 -1.07 116.67 119.18 1i2r s ASP 3 Ca 0.00 0.72 -0.12 0.00 -3.30 0.00 0.00 52.55 49.85 1i2r s ASP 3 Cb 0.00 -1.96 0.13 0.00 -1.09 0.00 0.00 42.92 40.00 1i2r s ASP 3 CO 0.00 -0.71 1.83 0.11 0.70 0.00 0.00 175.17 177.09 1i2r h LYS 4 N 0.19 0.67 -0.19 2.11 6.56 -0.80 -1.87 116.57 123.24 1i2r h LYS 4 Ca -0.47 -0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.12 1i2r h LYS 4 Cb 1.23 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 32.70 1i2r h LYS 4 CO 0.61 0.45 -0.02 1.25 -2.06 0.00 0.00 179.45 179.67 1i2r h LEU 5 N 0.69 -0.13 -0.91 2.94 6.46 -1.77 0.17 115.31 122.77 1i2r h LEU 5 Ca 0.23 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.03 1i2r h LEU 5 Cb 0.02 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1i2r h LEU 5 CO -0.10 -0.04 0.54 0.74 -0.62 0.00 0.00 178.44 178.97 1i2r h THR 6 N 0.03 1.25 -0.41 1.05 2.02 -1.84 -2.59 112.91 112.43 1i2r h THR 6 Ca 0.09 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1i2r h THR 6 Cb 0.13 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1i2r h THR 6 CO -0.17 0.27 0.07 -1.28 0.37 0.00 0.00 175.52 174.77 1i2r h SER 7 N 1.25 0.64 -0.76 4.18 0.87 -0.68 -3.00 113.55 116.05 1i2r h SER 7 Ca 0.33 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1i2r h SER 7 Cb -0.05 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 1i2r h SER 7 CO -0.06 0.74 0.50 0.25 -0.53 0.00 0.00 176.83 177.73 1i2r h LEU 8 N 0.52 0.75 -1.96 2.23 5.85 -0.37 -2.23 115.31 120.11 1i2r h LEU 8 Ca 0.12 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1i2r h LEU 8 Cb 0.36 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1i2r h LEU 8 CO 0.01 0.50 0.02 0.03 -0.34 0.00 0.00 178.44 178.66 1i2r h ARG 9 N 0.86 0.00 -0.01 1.25 3.08 -1.32 -0.07 114.38 118.18 1i2r h ARG 9 Ca 0.32 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.22 1i2r h ARG 9 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1i2r h ARG 9 CO -0.10 0.00 -0.70 1.96 -1.07 0.00 0.00 179.97 180.06 1i2r h GLN 10 N 0.00 0.03 0.00 0.04 4.20 -1.51 -3.36 115.11 114.51 1i2r h GLN 10 Ca 0.00 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.53 1i2r h GLN 10 Cb 0.04 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1i2r h GLN 10 CO 0.00 0.72 -1.76 0.66 -0.67 0.00 0.00 178.83 177.78 1i2r n TYR 11 N -3.72 0.00 -4.20 2.96 4.01 -0.59 -5.03 117.16 110.58 1i2r n TYR 11 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1i2r n TYR 11 Cb 0.68 -0.51 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 1i2r n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1i2r s THR 12 N -2.46 0.47 -0.08 -0.72 2.01 -0.14 -4.24 115.64 110.48 1i2r s THR 12 Ca -0.06 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 1i2r s THR 12 Cb 0.05 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1i2r s THR 12 CO 0.50 0.14 1.24 -0.89 -0.69 0.00 0.00 174.62 174.92 1i2r s THR 13 N -0.07 4.22 -0.06 -0.82 2.01 -0.89 -4.03 115.64 115.99 1i2r s THR 13 Ca 0.01 1.53 -0.23 0.00 0.31 0.00 0.00 61.69 63.31 1i2r s THR 13 Cb -0.03 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1i2r s THR 13 CO -0.00 -0.04 0.70 -0.69 -0.69 0.00 0.00 174.62 173.90 1i2r s VAL 14 N 2.61 5.04 -0.01 3.82 1.01 -1.26 -2.41 120.40 129.20 1i2r s VAL 14 Ca 0.56 1.45 0.07 0.00 0.00 0.00 0.00 61.98 64.06 1i2r s VAL 14 Cb -0.24 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1i2r s VAL 14 CO 0.20 0.26 -0.22 -0.69 0.00 0.00 0.00 175.10 174.64 1i2r s VAL 15 N 0.76 1.77 -0.17 2.92 1.01 -0.32 -1.57 120.40 124.80 1i2r s VAL 15 Ca 0.38 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1i2r s VAL 15 Cb -0.18 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1i2r s VAL 15 CO 0.18 0.48 0.27 0.00 0.00 0.00 0.00 175.10 176.03 1i2r s ALA 16 N -0.55 3.60 -0.98 5.51 0.00 -0.88 -0.46 121.76 128.01 1i2r s ALA 16 Ca 0.09 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1i2r s ALA 16 Cb -0.09 -2.37 0.25 0.00 0.00 0.00 0.00 23.12 20.92 1i2r s ALA 16 CO -0.01 0.08 0.95 0.34 0.00 0.00 0.00 175.76 177.12 1i2r s ASP 17 N 0.49 7.06 -0.18 0.00 2.15 -0.31 -1.06 116.67 124.82 1i2r s ASP 17 Ca 0.15 -3.19 -0.35 0.00 0.43 0.00 0.00 52.55 49.59 1i2r s ASP 17 Cb -0.13 -2.21 0.14 0.00 -0.30 0.00 0.00 42.92 40.43 1i2r s ASP 17 CO 0.03 -0.41 1.25 0.28 -0.17 0.00 0.00 175.17 176.14 1i2r s THR 18 N -0.62 0.00 -1.64 1.71 -1.32 -0.87 -4.43 115.64 108.47 1i2r s THR 18 Ca 0.25 -0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.87 1i2r s THR 18 Cb -0.10 -1.16 0.42 0.00 -1.51 0.00 0.00 72.50 70.15 1i2r s THR 18 CO -0.08 0.00 1.33 0.61 -2.21 0.00 0.00 174.62 174.27 1i2r n GLY 19 N -0.14 2.14 3.54 6.08 0.00 -1.26 -4.57 105.19 110.98 1i2r n GLY 19 Ca -0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1i2r n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i2r s ASP 20 N -1.10 6.31 0.65 1.61 2.15 -1.26 -4.95 116.67 120.08 1i2r s ASP 20 Ca 0.34 -0.19 0.41 0.00 0.43 0.00 0.00 52.55 53.53 1i2r s ASP 20 Cb 0.18 -2.28 2.26 0.00 -0.30 0.00 0.00 42.92 42.78 1i2r s ASP 20 CO 0.25 -0.59 2.32 0.16 -0.17 0.00 0.00 175.17 177.14 1i2r h ILE 21 N 5.71 0.12 -0.80 4.11 3.07 -1.96 -2.46 117.51 125.31 1i2r h ILE 21 Ca -0.27 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.19 1i2r h ILE 21 Cb 1.11 0.98 -0.05 0.00 -0.27 0.00 0.00 36.82 38.59 1i2r h ILE 21 CO 0.82 0.00 0.52 0.00 -1.05 0.00 0.00 178.15 178.44 1i2r h ALA 22 N 1.96 1.58 -0.01 0.16 0.00 -2.01 -1.56 119.26 119.38 1i2r h ALA 22 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1i2r h ALA 22 Cb 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1i2r h ALA 22 CO -0.00 0.31 -0.57 0.00 0.00 0.00 0.00 179.25 178.99 1i2r h ALA 23 N 1.55 1.03 -0.76 0.00 0.00 -1.87 -2.85 119.26 116.37 1i2r h ALA 23 Ca 0.33 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1i2r h ALA 23 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1i2r h ALA 23 CO -0.11 0.71 0.28 0.52 0.00 0.00 0.00 179.25 180.65 1i2r h MET 24 N 0.03 1.15 -0.28 0.00 2.86 -1.41 -1.43 114.93 115.85 1i2r h MET 24 Ca -0.01 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.25 1i2r h MET 24 Cb 1.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1i2r h MET 24 CO 0.08 0.95 -0.46 0.87 1.06 0.00 0.00 176.91 179.41 1i2r h LYS 25 N 1.12 0.74 -0.13 1.72 1.57 -1.43 -0.93 116.57 119.23 1i2r h LYS 25 Ca 0.25 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1i2r h LYS 25 Cb 0.25 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1i2r h LYS 25 CO -0.02 1.04 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.65 1i2r h LEU 26 N 0.59 0.39 -0.89 2.94 3.38 -1.26 -3.36 115.31 117.10 1i2r h LEU 26 Ca 0.04 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1i2r h LEU 26 Cb 1.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1i2r h LEU 26 CO 0.10 0.84 -0.33 -1.22 0.09 0.00 0.00 178.44 177.92 1i2r n TYR 27 N -4.52 0.00 -4.00 1.13 4.01 -0.56 -5.03 117.16 108.20 1i2r n TYR 27 Ca -0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 1i2r n TYR 27 Cb 0.40 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.45 1i2r n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1i2r n GLN 28 N -0.11 -0.55 -1.63 -0.72 6.02 -0.35 -4.93 117.38 115.11 1i2r n GLN 28 Ca 0.07 0.24 -0.30 0.00 -0.01 0.00 0.00 57.00 56.99 1i2r n GLN 28 Cb 0.34 -2.54 0.07 0.00 1.02 0.00 0.00 30.24 29.12 1i2r n GLN 28 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1i2r s PRO 29 N -6.85 2.51 -0.01 -1.09 0.04 -1.26 -4.99 135.00 123.36 1i2r s PRO 29 Ca 0.39 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 61.93 1i2r s PRO 29 Cb -0.21 -1.96 -0.26 0.00 0.04 0.00 0.00 34.50 32.11 1i2r s PRO 29 CO 0.95 -1.33 1.04 0.37 0.04 0.00 0.00 177.00 178.07 1i2r h GLN 30 N -0.88 0.40 -5.21 4.56 4.15 -1.65 -3.41 115.11 113.07 1i2r h GLN 30 Ca -0.46 -0.49 -0.51 0.00 0.77 0.00 0.00 58.65 57.96 1i2r h GLN 30 Cb 1.25 0.15 -0.14 0.00 0.21 0.00 0.00 27.48 28.95 1i2r h GLN 30 CO 0.60 1.16 -0.58 -0.51 -1.93 0.00 0.00 178.83 177.57 1i2r s ASP 31 N -6.86 2.65 0.02 -0.69 1.01 -1.25 0.16 116.67 111.70 1i2r s ASP 31 Ca -0.13 -1.46 0.00 0.00 0.71 0.00 0.00 52.55 51.68 1i2r s ASP 31 Cb 0.03 0.06 -0.01 0.00 1.01 0.00 0.00 42.92 44.00 1i2r s ASP 31 CO 0.83 -0.68 -0.03 0.00 0.21 0.00 0.00 175.17 175.50 1i2r s ALA 32 N -3.22 0.18 0.06 5.23 0.00 -0.51 -2.08 121.76 121.42 1i2r s ALA 32 Ca 0.32 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1i2r s ALA 32 Cb 0.07 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1i2r s ALA 32 CO 0.15 -0.08 -0.20 0.95 0.00 0.00 0.00 175.76 176.58 1i2r s THR 33 N -0.99 1.59 0.28 0.00 -4.23 -0.22 -1.94 115.64 110.13 1i2r s THR 33 Ca -0.10 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 1i2r s THR 33 Cb -0.07 -1.40 -0.05 0.00 1.34 0.00 0.00 72.50 72.32 1i2r s THR 33 CO -0.00 0.12 0.10 0.42 -0.54 0.00 0.00 174.62 174.71 1i2r s THR 34 N -0.89 0.66 0.29 3.99 -4.23 -0.95 -2.04 115.64 112.47 1i2r s THR 34 Ca 0.06 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1i2r s THR 34 Cb -0.09 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1i2r s THR 34 CO 0.02 0.00 0.59 0.54 -0.54 0.00 0.00 174.62 175.24 1i2r s ASN 35 N -3.37 0.03 0.28 3.99 2.20 -1.26 -4.49 114.94 112.31 1i2r s ASN 35 Ca 0.37 -0.97 0.01 0.00 -0.94 0.00 0.00 52.86 51.33 1i2r s ASN 35 Cb 0.07 0.68 0.58 0.00 -2.00 0.00 0.00 41.25 40.59 1i2r s ASN 35 CO 0.15 -1.31 1.78 -0.65 -2.94 0.00 0.00 177.10 174.12 1i2r h PRO 36 N 2.12 0.73 -0.51 3.55 0.11 -1.90 -1.17 132.00 134.93 1i2r h PRO 36 Ca -0.26 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1i2r h PRO 36 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1i2r h PRO 36 CO 0.34 0.48 0.03 0.77 -0.21 0.00 0.00 178.00 179.41 1i2r h SER 37 N 0.75 0.85 0.39 -2.05 0.02 -1.92 -1.73 113.55 109.87 1i2r h SER 37 Ca 0.50 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1i2r h SER 37 Cb 0.66 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1i2r h SER 37 CO -0.34 0.93 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.73 1i2r h LEU 38 N 0.74 0.12 -0.40 5.07 3.38 -1.83 -1.63 115.31 120.77 1i2r h LEU 38 Ca 0.15 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1i2r h LEU 38 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1i2r h LEU 38 CO 0.02 0.59 -0.39 0.40 0.09 0.00 0.00 178.44 179.15 1i2r h ILE 39 N 0.09 1.27 -0.31 1.22 1.08 -1.05 0.07 117.51 119.88 1i2r h ILE 39 Ca 0.00 -1.57 -0.03 0.00 -0.39 0.00 0.00 64.86 62.88 1i2r h ILE 39 Cb 0.89 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1i2r h ILE 39 CO 0.07 0.52 0.10 0.25 -0.69 0.00 0.00 178.15 178.40 1i2r h LEU 40 N 0.76 0.46 -0.44 1.44 5.85 -1.10 -1.47 115.31 120.80 1i2r h LEU 40 Ca 0.06 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1i2r h LEU 40 Cb 0.99 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1i2r h LEU 40 CO 0.10 0.54 0.09 0.78 -0.34 0.00 0.00 178.44 179.61 1i2r h ASN 41 N 0.35 0.69 0.00 1.25 2.35 -1.23 -2.64 115.58 116.35 1i2r h ASN 41 Ca 0.10 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1i2r h ASN 41 Cb 0.25 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1i2r h ASN 41 CO -0.00 0.75 -0.00 0.00 -1.65 0.00 0.00 177.43 176.53 1i2r h ALA 42 N 0.96 1.99 0.00 -0.83 0.00 -0.81 0.15 119.26 120.72 1i2r h ALA 42 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1i2r h ALA 42 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1i2r h ALA 42 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1i2r n ALA 43 N -2.54 1.62 0.12 0.00 0.00 -0.57 -1.85 120.51 117.29 1i2r n ALA 43 Ca -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.49 1i2r n ALA 43 Cb 0.09 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.30 1i2r n ALA 43 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1i2r h GLN 44 N 0.00 0.00 -6.31 0.00 1.08 -1.00 -3.46 115.11 105.42 1i2r h GLN 44 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1i2r h GLN 44 Cb 0.26 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1i2r h GLN 44 CO 0.00 0.08 1.17 0.42 -0.95 0.00 0.00 178.83 179.55 1i2r s ILE 45 N -3.24 3.28 0.25 2.54 1.01 -0.77 -4.90 121.20 119.38 1i2r s ILE 45 Ca 0.01 0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1i2r s ILE 45 Cb 0.08 -3.23 0.27 0.00 0.01 0.00 0.00 42.46 39.59 1i2r s ILE 45 CO 0.77 -0.04 1.66 1.55 0.00 0.00 0.00 174.94 178.88 1i2r h PRO 46 N 10.23 0.18 0.00 2.79 0.13 -1.89 0.71 132.00 144.15 1i2r h PRO 46 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1i2r h PRO 46 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1i2r h PRO 46 CO 0.95 0.12 0.00 1.05 -0.23 0.00 0.00 178.00 179.89 1i2r h GLU 47 N 0.18 0.00 -0.00 0.86 4.11 -1.96 -1.88 114.58 115.89 1i2r h GLU 47 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 1i2r h GLU 47 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1i2r h GLU 47 CO -0.60 0.00 -0.08 0.66 0.07 0.00 0.00 179.01 179.06 1i2r n TYR 48 N -2.33 0.00 -0.28 2.06 4.02 0.24 -4.01 117.16 116.86 1i2r n TYR 48 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.97 1i2r n TYR 48 Cb 0.15 -0.12 0.22 0.00 -0.02 0.00 0.00 39.34 39.57 1i2r n TYR 48 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1i2r h ARG 49 N 0.75 0.45 -0.91 -0.72 9.65 -1.41 0.32 114.38 122.51 1i2r h ARG 49 Ca 0.00 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1i2r h ARG 49 Cb 0.32 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 1i2r h ARG 49 CO 0.00 0.30 0.56 0.87 2.80 0.00 0.00 179.97 184.50 1i2r h LYS 50 N 0.46 0.95 -0.71 0.20 1.57 -1.82 -1.36 116.57 115.87 1i2r h LYS 50 Ca 0.46 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1i2r h LYS 50 Cb 0.73 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 1i2r h LYS 50 CO -0.43 0.63 0.27 -0.07 -0.57 0.00 0.00 179.45 179.28 1i2r h LEU 51 N 0.98 0.97 -0.16 2.94 3.38 -1.21 -0.70 115.31 121.52 1i2r h LEU 51 Ca 0.42 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1i2r h LEU 51 Cb 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1i2r h LEU 51 CO -0.21 0.87 -0.05 0.40 0.09 0.00 0.00 178.44 179.55 1i2r h ILE 52 N 1.03 1.30 -0.69 1.22 2.04 -1.00 -1.92 117.51 119.48 1i2r h ILE 52 Ca 0.24 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1i2r h ILE 52 Cb 0.22 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1i2r h ILE 52 CO -0.02 0.30 0.43 0.44 0.00 0.00 0.00 178.15 179.30 1i2r h ASP 53 N -0.00 0.83 -0.85 1.72 3.32 -1.09 -1.07 116.42 119.27 1i2r h ASP 53 Ca 0.04 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1i2r h ASP 53 Cb 0.49 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1i2r h ASP 53 CO 0.02 0.64 0.49 0.44 -1.72 0.00 0.00 179.24 179.11 1i2r h ASP 54 N 0.94 1.04 0.09 6.45 3.32 -1.07 0.17 116.42 127.36 1i2r h ASP 54 Ca 0.25 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1i2r h ASP 54 Cb -0.05 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1i2r h ASP 54 CO -0.05 0.82 -0.04 0.00 -1.72 0.00 0.00 179.24 178.25 1i2r h ALA 55 N 1.26 -0.12 -0.18 3.45 0.00 -0.76 0.24 119.26 123.15 1i2r h ALA 55 Ca 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1i2r h ALA 55 Cb -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i2r h ALA 55 CO -0.05 -0.51 0.09 0.28 0.00 0.00 0.00 179.25 179.06 1i2r h VAL 56 N -0.25 1.00 -0.43 0.00 2.07 -1.01 0.61 116.25 118.24 1i2r h VAL 56 Ca -0.01 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1i2r h VAL 56 Cb 0.20 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1i2r h VAL 56 CO 0.02 0.04 0.24 0.00 0.02 0.00 0.00 177.57 177.88 1i2r h ALA 57 N 1.09 0.54 -0.63 1.67 0.00 -0.88 -1.14 119.26 119.92 1i2r h ALA 57 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i2r h ALA 57 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1i2r h ALA 57 CO -0.05 -0.10 0.38 2.35 0.00 0.00 0.00 179.25 181.83 1i2r h TRP 58 N 0.48 0.83 -0.38 0.00 7.01 -0.59 -2.59 115.95 120.71 1i2r h TRP 58 Ca 0.18 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1i2r h TRP 58 Cb 0.05 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1i2r h TRP 58 CO -0.08 0.56 0.23 0.00 -2.79 0.00 0.00 178.44 176.36 1i2r h ALA 59 N 1.20 0.47 0.00 2.65 0.00 -0.32 -1.89 119.26 121.36 1i2r h ALA 59 Ca 0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1i2r h ALA 59 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1i2r h ALA 59 CO -0.04 -0.10 -0.04 0.87 0.00 0.00 0.00 179.25 179.94 1i2r h LYS 60 N 0.47 0.00 0.00 0.00 1.57 -1.01 -1.56 116.57 116.04 1i2r h LYS 60 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i2r h LYS 60 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1i2r h LYS 60 CO -0.05 0.04 -0.43 1.04 -0.57 0.00 0.00 179.45 179.48 1i2r n GLN 61 N -3.29 0.14 -0.01 3.15 1.13 -0.75 -3.94 117.38 113.82 1i2r n GLN 61 Ca -0.01 0.05 -0.05 0.00 -1.94 0.00 0.00 57.00 55.05 1i2r n GLN 61 Cb 0.20 -1.60 -0.12 0.00 0.11 0.00 0.00 30.24 28.83 1i2r n GLN 61 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1i2r n GLN 62 N -1.82 0.64 -3.68 -1.09 1.13 -0.60 -5.02 117.38 106.94 1i2r n GLN 62 Ca 0.05 0.22 -0.07 0.00 -1.94 0.00 0.00 57.00 55.26 1i2r n GLN 62 Cb 0.39 -1.76 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 1i2r n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1i2r s SER 63 N -5.87 -0.31 -0.22 1.08 1.04 -1.12 -5.04 113.70 103.27 1i2r s SER 63 Ca -0.05 -0.32 0.14 0.00 0.48 0.00 0.00 55.95 56.20 1i2r s SER 63 Cb 0.08 0.56 0.50 0.00 0.10 0.00 0.00 66.02 67.27 1i2r s SER 63 CO 0.82 -1.00 1.42 0.59 0.98 0.00 0.00 173.24 176.05 1i2r n ASN 64 N -0.41 3.22 -4.37 7.02 3.02 -1.26 -4.53 115.26 117.95 1i2r n ASN 64 Ca -0.08 -3.32 -0.38 0.00 -0.03 0.00 0.00 54.58 50.77 1i2r n ASN 64 Cb 0.61 -0.57 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 1i2r n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i2r s ASP 65 N -2.24 5.34 0.29 6.41 -1.08 -1.26 -4.99 116.67 119.15 1i2r s ASP 65 Ca 0.42 -0.74 0.04 0.00 -0.52 0.00 0.00 52.55 51.76 1i2r s ASP 65 Cb 0.36 -1.93 0.67 0.00 -1.46 0.00 0.00 42.92 40.56 1i2r s ASP 65 CO 0.05 -0.23 1.80 -0.09 0.52 0.00 0.00 175.17 177.21 1i2r h ARG 66 N 8.29 0.82 0.09 4.34 2.43 -1.99 0.92 114.38 129.29 1i2r h ARG 66 Ca -0.30 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1i2r h ARG 66 Cb 1.12 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1i2r h ARG 66 CO 0.62 0.54 -0.04 0.00 -1.51 0.00 0.00 179.97 179.58 1i2r h ALA 67 N 1.61 -0.12 0.00 2.80 0.00 -2.01 -2.10 119.26 119.44 1i2r h ALA 67 Ca 0.55 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 1i2r h ALA 67 Cb 0.75 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1i2r h ALA 67 CO -0.34 -0.56 -0.36 0.37 0.00 0.00 0.00 179.25 178.36 1i2r h GLN 68 N -0.14 0.00 -0.57 0.00 4.15 -1.76 -3.04 115.11 113.75 1i2r h GLN 68 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1i2r h GLN 68 Cb 0.11 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1i2r h GLN 68 CO 0.02 0.36 -0.05 1.96 -1.93 0.00 0.00 178.83 179.19 1i2r h GLN 69 N 0.00 1.03 -0.66 1.69 4.20 -0.46 0.82 115.11 121.73 1i2r h GLN 69 Ca -0.00 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.28 1i2r h GLN 69 Cb 0.66 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1i2r h GLN 69 CO 0.05 1.04 0.11 0.82 -0.67 0.00 0.00 178.83 180.17 1i2r h ILE 70 N 0.93 1.26 -0.24 2.54 2.04 -1.28 0.31 117.51 123.07 1i2r h ILE 70 Ca 0.16 -1.03 -0.16 0.00 1.00 0.00 0.00 64.86 64.83 1i2r h ILE 70 Cb 0.61 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1i2r h ILE 70 CO 0.04 0.39 -0.47 0.58 0.00 0.00 0.00 178.15 178.69 1i2r h VAL 71 N 1.01 1.30 -0.61 1.67 2.07 -1.47 -0.87 116.25 119.35 1i2r h VAL 71 Ca 0.20 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 1i2r h VAL 71 Cb 0.44 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1i2r h VAL 71 CO 0.01 0.53 0.04 0.44 0.02 0.00 0.00 177.57 178.61 1i2r h ASP 72 N 0.47 1.03 -0.50 0.57 3.32 -0.66 -1.44 116.42 119.22 1i2r h ASP 72 Ca 0.01 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1i2r h ASP 72 Cb 1.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1i2r h ASP 72 CO 0.10 1.06 -0.01 0.00 -1.72 0.00 0.00 179.24 178.67 1i2r h ALA 73 N 1.00 0.67 -0.46 3.45 0.00 -0.35 -0.56 119.26 123.01 1i2r h ALA 73 Ca 0.18 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1i2r h ALA 73 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i2r h ALA 73 CO 0.02 0.49 -0.07 1.15 0.00 0.00 0.00 179.25 180.84 1i2r h THR 74 N 0.75 1.27 -0.35 0.00 2.02 -1.01 -1.36 112.91 114.22 1i2r h THR 74 Ca 0.14 -1.18 -0.17 0.00 0.77 0.00 0.00 66.41 65.98 1i2r h THR 74 Cb 0.54 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1i2r h THR 74 CO 0.03 0.40 -0.43 0.44 0.37 0.00 0.00 175.52 176.33 1i2r h ASP 75 N 0.71 0.97 -0.23 4.18 3.32 -1.21 -2.90 116.42 121.26 1i2r h ASP 75 Ca 0.12 -0.47 -0.07 0.00 0.02 0.00 0.00 57.03 56.63 1i2r h ASP 75 Cb 0.61 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1i2r h ASP 75 CO 0.04 1.26 -0.09 0.50 -1.72 0.00 0.00 179.24 179.23 1i2r h LYS 76 N 0.72 0.61 -0.33 3.56 1.63 -1.01 -1.72 116.57 120.03 1i2r h LYS 76 Ca 0.05 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1i2r h LYS 76 Cb 1.03 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1i2r h LYS 76 CO 0.10 0.69 0.07 1.25 -3.45 0.00 0.00 179.45 178.12 1i2r h LEU 77 N 0.56 0.50 -0.88 5.20 5.85 -1.20 0.40 115.31 125.74 1i2r h LEU 77 Ca 0.10 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1i2r h LEU 77 Cb 0.49 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1i2r h LEU 77 CO 0.03 0.61 0.58 0.00 -0.34 0.00 0.00 178.44 179.31 1i2r h ALA 78 N 0.91 1.14 -0.34 1.25 0.00 -1.29 -0.87 119.26 120.07 1i2r h ALA 78 Ca 0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1i2r h ALA 78 Cb 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i2r h ALA 78 CO 0.00 0.48 -0.46 0.28 0.00 0.00 0.00 179.25 179.55 1i2r h VAL 79 N 1.16 1.27 -0.88 0.00 2.07 -1.01 -2.25 116.25 116.61 1i2r h VAL 79 Ca 0.34 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1i2r h VAL 79 Cb -0.08 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1i2r h VAL 79 CO -0.09 0.54 0.51 0.78 0.02 0.00 0.00 177.57 179.33 1i2r h ASN 80 N 0.71 1.08 -0.66 0.57 2.35 0.37 0.13 115.58 120.13 1i2r h ASN 80 Ca 0.04 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1i2r h ASN 80 Cb 1.05 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 1i2r h ASN 80 CO 0.11 0.85 0.08 0.40 -1.65 0.00 0.00 177.43 177.22 1i2r h ILE 81 N 1.22 1.26 -0.54 2.81 2.04 -1.12 -2.17 117.51 121.01 1i2r h ILE 81 Ca 0.31 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1i2r h ILE 81 Cb -0.01 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1i2r h ILE 81 CO -0.05 0.40 0.10 1.23 0.00 0.00 0.00 178.15 179.83 1i2r h GLY 82 N 1.03 0.91 1.01 5.37 0.00 -0.73 -2.36 103.07 108.30 1i2r h GLY 82 Ca 0.20 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1i2r h GLY 82 CO 0.02 0.52 0.40 1.41 0.00 0.00 0.00 176.54 178.89 1i2r h LEU 83 N 0.81 0.91 -0.78 3.11 4.07 -0.36 -0.55 115.31 122.53 1i2r h LEU 83 Ca 0.17 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1i2r h LEU 83 Cb 0.34 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1i2r h LEU 83 CO 0.00 0.74 0.17 -0.33 -1.08 0.00 0.00 178.44 177.94 1i2r h GLU 84 N 1.01 1.09 -0.49 1.13 4.39 -1.07 -2.92 114.58 117.72 1i2r h GLU 84 Ca 0.26 -0.25 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1i2r h GLU 84 Cb 0.03 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1i2r h GLU 84 CO -0.04 0.96 -0.19 0.82 -1.16 0.00 0.00 179.01 179.40 1i2r h ILE 85 N 1.03 1.27 0.00 3.13 2.04 -1.04 -2.87 117.51 121.08 1i2r h ILE 85 Ca 0.22 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1i2r h ILE 85 Cb 0.36 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1i2r h ILE 85 CO 0.00 0.47 -0.00 -0.07 0.00 0.00 0.00 178.15 178.55 1i2r h LEU 86 N 0.85 0.00 -0.49 1.44 3.38 -0.92 0.11 115.31 119.67 1i2r h LEU 86 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i2r h LEU 86 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1i2r h LEU 86 CO 0.06 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.70 1i2r h LYS 87 N 0.00 0.00 -0.00 1.13 1.57 -1.43 -3.29 116.57 114.54 1i2r h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1i2r h LYS 87 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1i2r h LYS 87 CO 0.00 0.00 -0.24 1.28 -0.57 0.00 0.00 179.45 179.92 1i2r n LEU 88 N -2.80 0.88 -4.19 2.94 4.77 0.32 -5.01 117.00 113.91 1i2r n LEU 88 Ca 0.03 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.09 1i2r n LEU 88 Cb 0.41 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 1i2r n LEU 88 CO 0.29 0.18 -0.50 0.68 -1.33 0.00 0.00 177.39 176.72 1i2r s VAL 89 N -1.39 1.40 -0.45 4.08 -7.23 -0.89 -4.87 120.40 111.05 1i2r s VAL 89 Ca 0.06 -0.96 0.24 0.00 -1.81 0.00 0.00 61.98 59.50 1i2r s VAL 89 Cb 0.07 -1.21 0.34 0.00 0.56 0.00 0.00 36.38 36.13 1i2r s VAL 89 CO 0.25 0.22 1.65 1.55 -0.31 0.00 0.00 175.10 178.46 1i2r h PRO 90 N 5.21 0.00 0.00 4.82 0.13 -1.79 -3.45 132.00 136.93 1i2r h PRO 90 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1i2r h PRO 90 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1i2r h PRO 90 CO 0.46 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1i2r n GLY 91 N 1.07 0.83 3.71 1.56 0.00 0.12 -5.05 105.19 107.44 1i2r n GLY 91 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1i2r n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i2r s ARG 92 N 2.61 2.39 -0.05 1.61 0.52 -1.25 -4.81 118.95 119.97 1i2r s ARG 92 Ca 0.00 -1.47 0.06 0.00 -0.52 0.00 0.00 55.73 53.80 1i2r s ARG 92 Cb 0.00 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 1i2r s ARG 92 CO 0.00 0.21 -0.21 -1.50 0.02 0.00 0.00 175.30 173.82 1i2r s ILE 93 N -2.37 2.43 -0.22 1.52 1.10 -0.85 -1.42 121.20 121.39 1i2r s ILE 93 Ca 0.35 -0.95 -0.07 0.00 -0.51 0.00 0.00 60.65 59.48 1i2r s ILE 93 Cb -0.04 -1.90 -0.03 0.00 0.15 0.00 0.00 42.46 40.64 1i2r s ILE 93 CO 0.22 0.58 0.04 -0.44 -2.11 0.00 0.00 174.94 173.23 1i2r s SER 94 N -0.46 5.15 -0.10 4.50 0.01 -0.82 -1.51 113.70 120.48 1i2r s SER 94 Ca 0.05 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1i2r s SER 94 Cb -0.12 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1i2r s SER 94 CO 0.01 0.05 -0.22 -0.89 0.41 0.00 0.00 173.24 172.60 1i2r s THR 95 N 1.10 1.94 0.02 1.44 2.01 -0.78 -2.25 115.64 119.10 1i2r s THR 95 Ca 0.04 -0.94 -0.15 0.00 0.31 0.00 0.00 61.69 60.95 1i2r s THR 95 Cb -0.14 -1.69 -0.06 0.00 0.01 0.00 0.00 72.50 70.62 1i2r s THR 95 CO 0.03 0.53 0.43 -0.70 -0.69 0.00 0.00 174.62 174.21 1i2r s GLU 96 N 0.47 3.93 0.57 4.92 2.12 -1.26 -0.66 118.70 128.78 1i2r s GLU 96 Ca -0.16 0.43 -0.15 0.00 0.36 0.00 0.00 54.97 55.44 1i2r s GLU 96 Cb -0.17 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1i2r s GLU 96 CO 0.07 0.67 1.02 0.14 -0.54 0.00 0.00 175.26 176.62 1i2r s VAL 97 N -1.11 4.29 -0.38 3.70 -7.23 -0.50 -4.91 120.40 114.26 1i2r s VAL 97 Ca 0.25 1.02 -0.42 0.00 -1.81 0.00 0.00 61.98 61.02 1i2r s VAL 97 Cb -0.17 -3.61 -0.17 0.00 0.56 0.00 0.00 36.38 33.00 1i2r s VAL 97 CO 0.14 -0.70 1.79 -0.67 -0.31 0.00 0.00 175.10 175.36 1i2r n ASP 98 N -1.97 1.85 0.21 4.85 -0.08 -1.26 -4.81 116.55 115.34 1i2r n ASP 98 Ca 0.07 1.00 0.15 0.00 -1.51 0.00 0.00 54.79 54.50 1i2r n ASP 98 Cb 0.54 -1.05 0.71 0.00 2.34 0.00 0.00 41.12 43.66 1i2r n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i2r h ALA 99 N 7.29 1.00 0.00 -1.67 0.00 -1.91 -2.24 119.26 121.73 1i2r h ALA 99 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1i2r h ALA 99 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1i2r h ALA 99 CO 0.99 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.78 1i2r n ARG 100 N -2.57 0.10 -0.28 0.00 1.74 -1.26 -2.11 116.66 112.27 1i2r n ARG 100 Ca -0.00 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1i2r n ARG 100 Cb 0.14 -1.71 0.27 0.00 -1.02 0.00 0.00 32.46 30.14 1i2r n ARG 100 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1i2r n LEU 101 N -1.91 3.72 0.00 0.55 4.77 -0.84 -4.63 117.00 118.66 1i2r n LEU 101 Ca 0.02 -1.75 0.23 0.00 -0.03 0.00 0.00 56.01 54.48 1i2r n LEU 101 Cb 0.18 -0.37 0.72 0.00 -2.33 0.00 0.00 43.42 41.62 1i2r n LEU 101 CO 0.15 0.87 1.20 0.28 -1.33 0.00 0.00 177.39 178.57 1i2r h SER 102 N 4.40 0.00 -0.34 -1.43 0.02 -1.60 -0.60 113.55 114.00 1i2r h SER 102 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i2r h SER 102 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1i2r h SER 102 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1i2r n TYR 103 N -3.93 1.23 -3.83 3.45 4.01 -1.26 -4.00 117.16 112.82 1i2r n TYR 103 Ca 0.11 -0.83 -0.30 0.00 -0.16 0.00 0.00 57.90 56.72 1i2r n TYR 103 Cb 0.73 -0.36 -0.15 0.00 -0.31 0.00 0.00 39.34 39.25 1i2r n TYR 103 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1i2r s ASP 104 N -1.62 4.24 0.12 7.72 -1.08 -0.23 -4.93 116.67 120.88 1i2r s ASP 104 Ca 0.45 -1.77 -0.20 0.00 -0.52 0.00 0.00 52.55 50.51 1i2r s ASP 104 Cb 0.36 -1.12 -0.07 0.00 -1.46 0.00 0.00 42.92 40.63 1i2r s ASP 104 CO 0.11 -0.39 1.74 0.74 0.52 0.00 0.00 175.17 177.89 1i2r h THR 105 N 6.54 0.95 -0.27 1.71 2.02 -1.81 -1.32 112.91 120.73 1i2r h THR 105 Ca -0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1i2r h THR 105 Cb 1.02 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1i2r h THR 105 CO 0.48 0.02 0.13 -0.33 0.37 0.00 0.00 175.52 176.19 1i2r h GLU 106 N 0.11 0.39 -0.30 6.66 4.39 -1.95 -1.74 114.58 122.14 1i2r h GLU 106 Ca 0.06 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1i2r h GLU 106 Cb 0.05 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1i2r h GLU 106 CO -0.08 0.39 -0.07 0.00 -1.16 0.00 0.00 179.01 178.09 1i2r h ALA 107 N 0.98 1.31 -0.42 3.43 0.00 -1.90 -2.16 119.26 120.51 1i2r h ALA 107 Ca 0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1i2r h ALA 107 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1i2r h ALA 107 CO -0.01 0.46 -0.31 0.77 0.00 0.00 0.00 179.25 180.16 1i2r h SER 108 N 0.46 0.97 -0.47 0.00 0.02 -0.99 -1.39 113.55 112.15 1i2r h SER 108 Ca 0.09 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1i2r h SER 108 Cb 0.42 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1i2r h SER 108 CO 0.02 1.19 0.18 0.40 -1.14 0.00 0.00 176.83 177.48 1i2r h ILE 109 N 0.78 1.21 -0.46 3.27 2.04 -1.06 -0.90 117.51 122.39 1i2r h ILE 109 Ca 0.08 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1i2r h ILE 109 Cb 0.88 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1i2r h ILE 109 CO 0.08 0.25 0.18 0.00 0.00 0.00 0.00 178.15 178.66 1i2r h ALA 110 N 1.03 0.60 -0.66 1.87 0.00 -1.29 -1.65 119.26 119.16 1i2r h ALA 110 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1i2r h ALA 110 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i2r h ALA 110 CO -0.01 0.21 0.11 -0.22 0.00 0.00 0.00 179.25 179.33 1i2r h LYS 111 N 0.60 1.08 -0.51 0.00 1.63 -1.10 -1.37 116.57 116.90 1i2r h LYS 111 Ca 0.15 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1i2r h LYS 111 Cb 0.20 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1i2r h LYS 111 CO -0.01 0.99 0.25 0.00 -3.45 0.00 0.00 179.45 177.23 1i2r h ALA 112 N 1.09 0.65 -0.17 5.00 0.00 -0.95 -1.33 119.26 123.55 1i2r h ALA 112 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1i2r h ALA 112 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i2r h ALA 112 CO 0.01 0.20 -0.23 0.87 0.00 0.00 0.00 179.25 180.10 1i2r h LYS 113 N 0.67 0.30 -0.43 0.00 1.57 -1.08 -1.48 116.57 116.12 1i2r h LYS 113 Ca 0.17 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1i2r h LYS 113 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1i2r h LYS 113 CO -0.02 0.52 0.03 -0.09 -0.57 0.00 0.00 179.45 179.32 1i2r h ARG 114 N 0.27 0.74 -0.55 3.15 9.65 -0.74 -0.08 114.38 126.82 1i2r h ARG 114 Ca 0.04 -0.22 -0.08 0.00 -1.10 0.00 0.00 59.98 58.63 1i2r h ARG 114 Cb 0.57 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 1i2r h ARG 114 CO 0.04 0.80 0.04 -0.07 2.80 0.00 0.00 179.97 183.57 1i2r h LEU 115 N 0.58 0.92 -0.96 3.80 3.38 -0.96 -1.75 115.31 120.31 1i2r h LEU 115 Ca 0.12 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1i2r h LEU 115 Cb 0.45 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1i2r h LEU 115 CO 0.02 0.98 0.59 0.40 0.09 0.00 0.00 178.44 180.52 1i2r h ILE 116 N 0.83 1.26 -0.47 1.22 1.08 -1.12 -1.81 117.51 118.50 1i2r h ILE 116 Ca 0.16 -0.54 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1i2r h ILE 116 Cb 0.49 -0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1i2r h ILE 116 CO 0.02 0.27 0.29 0.50 -0.69 0.00 0.00 178.15 178.53 1i2r h LYS 117 N 1.32 0.56 -0.79 2.37 1.63 -0.54 0.27 116.57 121.39 1i2r h LYS 117 Ca 0.35 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1i2r h LYS 117 Cb -0.08 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.39 1i2r h LYS 117 CO -0.07 0.37 0.34 -0.07 -3.45 0.00 0.00 179.45 176.57 1i2r h LEU 118 N 0.58 1.07 -0.46 5.20 3.38 -0.73 0.85 115.31 125.21 1i2r h LEU 118 Ca 0.18 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1i2r h LEU 118 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1i2r h LEU 118 CO -0.07 0.94 -0.07 1.88 0.09 0.00 0.00 178.44 181.21 1i2r h TYR 119 N 1.15 0.95 -0.55 1.13 0.05 -0.91 -2.83 116.97 115.95 1i2r h TYR 119 Ca 0.27 -0.19 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1i2r h TYR 119 Cb 0.18 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 1i2r h TYR 119 CO 0.02 0.93 0.12 -0.91 -1.05 0.00 0.00 178.16 177.27 1i2r h ASN 120 N 0.70 0.81 0.32 3.88 2.35 -0.53 -1.05 115.58 122.05 1i2r h ASN 120 Ca 0.12 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1i2r h ASN 120 Cb 0.60 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1i2r h ASN 120 CO 0.04 0.80 -0.03 0.44 -1.65 0.00 0.00 177.43 177.02 1i2r h ASP 121 N 0.82 0.00 -0.25 5.81 3.32 -0.62 0.54 116.42 126.05 1i2r h ASP 121 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1i2r h ASP 121 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1i2r h ASP 121 CO 0.00 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1i2r n ALA 122 N -2.16 2.47 -0.60 3.45 0.00 -0.68 -4.93 120.51 118.06 1i2r n ALA 122 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1i2r n ALA 122 Cb 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1i2r n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2r n GLY 123 N 1.30 0.72 3.71 0.00 0.00 0.18 -5.05 105.19 106.05 1i2r n GLY 123 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1i2r n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i2r s ILE 124 N -2.21 5.22 0.54 -0.61 -1.09 -0.49 -4.98 121.20 117.59 1i2r s ILE 124 Ca 0.00 0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 59.12 1i2r s ILE 124 Cb 0.00 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1i2r s ILE 124 CO 0.00 0.32 0.89 -0.94 -1.23 0.00 0.00 174.94 173.98 1i2r s SER 125 N 0.72 6.23 0.57 3.58 1.04 -1.26 -3.44 113.70 121.14 1i2r s SER 125 Ca 0.22 1.14 0.27 0.00 0.48 0.00 0.00 55.95 58.05 1i2r s SER 125 Cb -0.14 -2.33 1.57 0.00 0.10 0.00 0.00 66.02 65.22 1i2r s SER 125 CO 0.08 -0.72 2.07 0.78 0.98 0.00 0.00 173.24 176.43 1i2r h ASN 126 N -0.02 0.00 0.20 7.02 4.21 -1.94 -2.37 115.58 122.68 1i2r h ASN 126 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1i2r h ASN 126 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1i2r h ASN 126 CO 0.62 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.86 1i2r n ASP 127 N -3.94 0.00 -0.73 5.81 5.75 -1.26 -2.00 116.55 120.17 1i2r n ASP 127 Ca 0.03 -0.23 0.08 0.00 -0.01 0.00 0.00 54.79 54.66 1i2r n ASP 127 Cb 0.38 -0.17 0.12 0.00 -1.03 0.00 0.00 41.12 40.42 1i2r n ASP 127 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i2r n ARG 128 N -1.17 1.83 -4.25 0.11 5.12 -0.89 -4.84 116.66 112.58 1i2r n ARG 128 Ca 0.11 -1.77 -0.21 0.00 -1.93 0.00 0.00 57.85 54.05 1i2r n ARG 128 Cb 0.11 -1.33 -0.12 0.00 -1.16 0.00 0.00 32.46 29.96 1i2r n ARG 128 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1i2r s ILE 129 N -1.18 1.49 -0.08 0.55 1.01 -0.85 -2.01 121.20 120.13 1i2r s ILE 129 Ca 0.24 -1.51 -0.00 0.00 0.00 0.00 0.00 60.65 59.38 1i2r s ILE 129 Cb 0.15 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.22 1i2r s ILE 129 CO 0.21 -0.16 -0.04 -0.76 0.00 0.00 0.00 174.94 174.18 1i2r s LEU 130 N -1.95 1.02 -0.16 2.97 1.43 -0.57 -4.54 118.68 116.88 1i2r s LEU 130 Ca 0.04 -0.18 -0.22 0.00 -1.03 0.00 0.00 54.13 52.75 1i2r s LEU 130 Cb -0.09 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1i2r s LEU 130 CO 0.04 -0.12 0.66 -0.63 0.23 0.00 0.00 176.35 176.53 1i2r s ILE 131 N 1.56 5.02 -0.21 -0.59 -1.09 -0.56 -1.87 121.20 123.45 1i2r s ILE 131 Ca -0.00 1.29 -0.15 0.00 -2.23 0.00 0.00 60.65 59.56 1i2r s ILE 131 Cb -0.13 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1i2r s ILE 131 CO -0.04 0.15 0.37 -0.75 -1.23 0.00 0.00 174.94 173.44 1i2r s LYS 132 N 1.59 4.15 0.04 2.79 2.20 0.16 -0.40 119.74 130.27 1i2r s LYS 132 Ca 0.32 0.14 0.04 0.00 -0.36 0.00 0.00 55.97 56.10 1i2r s LYS 132 Cb -0.16 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.59 1i2r s LYS 132 CO 0.12 -0.05 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.43 1i2r s LEU 133 N 1.37 2.20 0.39 5.43 1.43 -0.75 -1.41 118.68 127.33 1i2r s LEU 133 Ca 0.17 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 1i2r s LEU 133 Cb -0.15 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.56 1i2r s LEU 133 CO 0.08 -0.05 1.21 0.00 0.23 0.00 0.00 176.35 177.82 1i2r s ALA 134 N -1.00 3.21 0.00 4.21 0.00 -1.26 -1.46 121.76 125.47 1i2r s ALA 134 Ca -0.02 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1i2r s ALA 134 Cb -0.08 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 1i2r s ALA 134 CO 0.01 -0.60 2.99 0.43 0.00 0.00 0.00 175.76 178.59 1i2r n SER 135 N 0.19 5.14 -4.91 0.00 7.64 -0.48 -4.22 113.62 116.97 1i2r n SER 135 Ca 0.04 -2.43 -0.27 0.00 1.01 0.00 0.00 58.87 57.22 1i2r n SER 135 Cb 0.45 -1.28 0.08 0.00 -1.01 0.00 0.00 64.21 62.45 1i2r n SER 135 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1i2r s THR 136 N 0.70 2.20 0.27 0.44 -4.23 -1.26 -4.84 115.64 108.91 1i2r s THR 136 Ca 0.42 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 1i2r s THR 136 Cb 0.20 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 71.29 1i2r s THR 136 CO 0.00 -0.02 1.93 -0.25 -0.54 0.00 0.00 174.62 175.73 1i2r h TRP 137 N -0.82 1.19 -0.46 3.99 2.91 -1.90 -1.30 115.95 119.56 1i2r h TRP 137 Ca -0.45 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.51 1i2r h TRP 137 Cb 1.32 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1i2r h TRP 137 CO 0.33 0.72 -0.05 1.96 -1.03 0.00 0.00 178.44 180.37 1i2r h GLN 138 N 1.25 0.79 -0.31 2.65 7.50 -1.92 -1.66 115.11 123.41 1i2r h GLN 138 Ca 0.37 -0.24 -0.13 0.00 0.50 0.00 0.00 58.65 59.15 1i2r h GLN 138 Cb -0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.37 1i2r h GLN 138 CO -0.10 0.83 -0.34 0.78 -1.50 0.00 0.00 178.83 178.50 1i2r h GLY 139 N 0.98 0.76 1.01 3.46 0.00 -1.51 -1.36 103.07 106.40 1i2r h GLY 139 Ca 0.13 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 1i2r h GLY 139 CO 0.03 0.66 -0.04 -2.22 0.00 0.00 0.00 176.54 174.97 1i2r h ILE 140 N 0.59 1.27 -0.29 2.60 2.04 -1.03 -0.28 117.51 122.41 1i2r h ILE 140 Ca 0.06 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.72 1i2r h ILE 140 Cb 0.86 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1i2r h ILE 140 CO 0.08 0.39 -0.14 0.03 0.00 0.00 0.00 178.15 178.51 1i2r h ARG 141 N 0.70 0.49 -0.29 2.37 2.47 -1.17 -0.90 114.38 118.04 1i2r h ARG 141 Ca 0.13 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1i2r h ARG 141 Cb 0.56 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1i2r h ARG 141 CO 0.03 0.62 -0.09 0.00 0.56 0.00 0.00 179.97 181.09 1i2r h ALA 142 N 1.41 0.40 -0.77 0.04 0.00 -0.94 -3.02 119.26 116.38 1i2r h ALA 142 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1i2r h ALA 142 Cb 0.51 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1i2r h ALA 142 CO 0.03 0.24 0.34 0.00 0.00 0.00 0.00 179.25 179.86 1i2r h ALA 143 N 0.77 1.15 -0.92 0.00 0.00 -0.64 -0.94 119.26 118.68 1i2r h ALA 143 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1i2r h ALA 143 Cb 0.58 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1i2r h ALA 143 CO 0.03 0.63 0.61 1.49 0.00 0.00 0.00 179.25 182.01 1i2r h GLU 144 N 1.11 1.20 -0.13 0.00 4.81 -1.14 -0.58 114.58 119.84 1i2r h GLU 144 Ca 0.26 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1i2r h GLU 144 Cb 0.15 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1i2r h GLU 144 CO -0.03 0.79 -0.13 0.37 -0.73 0.00 0.00 179.01 179.29 1i2r h GLN 145 N 1.24 0.32 -0.75 1.92 5.75 -1.32 -3.13 115.11 119.14 1i2r h GLN 145 Ca 0.34 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 1i2r h GLN 145 Cb -0.12 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 1i2r h GLN 145 CO -0.08 0.71 0.48 -0.07 -2.65 0.00 0.00 178.83 177.22 1i2r h LEU 146 N -0.05 0.80 -1.17 -2.39 3.38 -0.86 -2.13 115.31 112.88 1i2r h LEU 146 Ca 0.02 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1i2r h LEU 146 Cb 0.65 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1i2r h LEU 146 CO 0.03 0.55 0.57 -0.33 0.09 0.00 0.00 178.44 179.35 1i2r h GLU 147 N 0.94 1.06 0.00 1.13 4.39 -0.92 -0.42 114.58 120.76 1i2r h GLU 147 Ca 0.30 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 1i2r h GLU 147 Cb 0.00 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1i2r h GLU 147 CO -0.11 0.70 -0.20 0.87 -1.16 0.00 0.00 179.01 179.11 1i2r h LYS 148 N 1.09 0.00 -0.64 2.33 1.57 -1.33 -2.28 116.57 117.32 1i2r h LYS 148 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1i2r h LYS 148 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1i2r h LYS 148 CO -0.09 0.20 0.00 0.39 -0.57 0.00 0.00 179.45 179.38 1i2r n GLU 149 N -3.84 3.22 -0.93 3.15 1.02 -0.30 -4.92 120.64 118.04 1i2r n GLU 149 Ca -0.02 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 54.96 1i2r n GLU 149 Cb 0.30 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1i2r n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i2r n GLY 150 N 0.82 0.42 3.18 0.62 0.00 -0.86 -5.04 105.19 104.33 1i2r n GLY 150 Ca 0.19 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 1i2r n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i2r s ILE 151 N -2.00 2.80 0.25 -0.61 1.01 -0.45 -4.91 121.20 117.30 1i2r s ILE 151 Ca 0.00 -1.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.17 1i2r s ILE 151 Cb 0.00 -2.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 1i2r s ILE 151 CO 0.00 0.11 0.96 0.20 0.00 0.00 0.00 174.94 176.20 1i2r s ASN 152 N 1.28 7.57 0.18 3.58 0.01 -1.26 -2.75 114.94 123.55 1i2r s ASN 152 Ca -0.02 1.97 0.11 0.00 -0.71 0.00 0.00 52.86 54.21 1i2r s ASN 152 Cb -0.18 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1i2r s ASN 152 CO -0.04 0.10 -0.23 0.00 -1.51 0.00 0.00 177.10 175.42 1i2r s ASN 154 N -2.54 4.94 -0.49 0.00 3.84 0.46 -2.01 114.94 119.14 1i2r s ASN 154 Ca 0.20 -1.45 -0.23 0.00 0.21 0.00 0.00 52.86 51.58 1i2r s ASN 154 Cb -0.08 -1.72 0.04 0.00 -0.55 0.00 0.00 41.25 38.93 1i2r s ASN 154 CO 0.09 -0.31 0.80 -0.76 -2.79 0.00 0.00 177.10 174.13 1i2r s LEU 155 N 1.21 4.34 0.00 3.21 2.01 -0.03 -1.81 118.68 127.60 1i2r s LEU 155 Ca -0.02 -0.34 0.07 0.00 0.01 0.00 0.00 54.13 53.84 1i2r s LEU 155 Cb -0.20 -2.82 0.07 0.00 0.01 0.00 0.00 46.19 43.25 1i2r s LEU 155 CO -0.02 -1.01 0.55 1.07 1.01 0.00 0.00 176.35 177.95 1i2r n THR 156 N 6.05 0.00 -3.88 5.49 5.66 -0.53 -0.98 114.28 126.09 1i2r n THR 156 Ca 0.00 -1.61 -0.29 0.00 -3.05 0.00 0.00 64.05 59.11 1i2r n THR 156 Cb 0.47 -0.47 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1i2r n THR 156 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1i2r n LEU 157 N 0.00 -2.64 -4.63 1.09 4.77 -1.26 -1.39 117.00 112.95 1i2r n LEU 157 Ca 0.09 -0.78 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 1i2r n LEU 157 Cb 0.49 -2.58 -0.08 0.00 -2.33 0.00 0.00 43.42 38.92 1i2r n LEU 157 CO 0.31 0.47 0.19 -0.22 -1.33 0.00 0.00 177.39 176.81 1i2r s LEU 158 N -7.21 4.07 0.00 2.23 0.20 -1.26 -4.43 118.68 112.29 1i2r s LEU 158 Ca 0.57 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.89 1i2r s LEU 158 Cb -0.29 -2.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.87 1i2r s LEU 158 CO 0.83 -0.23 0.00 0.49 -0.29 0.00 0.00 176.35 177.15 1i2r n PHE 159 N 5.27 0.00 -3.52 5.38 3.72 -1.26 -2.67 117.46 124.38 1i2r n PHE 159 Ca -0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.10 1i2r n PHE 159 Cb 0.50 0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 39.04 1i2r n PHE 159 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1i2r s SER 160 N -4.06 6.33 0.36 4.37 1.04 -1.26 -4.86 113.70 115.62 1i2r s SER 160 Ca 0.00 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.93 1i2r s SER 160 Cb 0.00 -2.02 0.67 0.00 0.10 0.00 0.00 66.02 64.78 1i2r s SER 160 CO 0.00 -0.20 1.85 0.15 0.98 0.00 0.00 173.24 176.02 1i2r h PHE 161 N 1.16 0.28 -1.00 5.02 3.57 -1.97 -2.12 116.94 121.88 1i2r h PHE 161 Ca -0.49 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 60.98 1i2r h PHE 161 Cb 1.21 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 1i2r h PHE 161 CO 0.52 0.45 0.66 0.00 -2.23 0.00 0.00 178.31 177.72 1i2r h ALA 162 N 1.56 1.29 -0.36 2.41 0.00 -1.93 -0.14 119.26 122.09 1i2r h ALA 162 Ca 0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1i2r h ALA 162 Cb 0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1i2r h ALA 162 CO 0.03 0.65 -0.00 1.96 0.00 0.00 0.00 179.25 181.89 1i2r h GLN 163 N 1.35 0.64 -0.51 0.00 4.20 -1.76 -1.68 115.11 117.35 1i2r h GLN 163 Ca 0.37 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1i2r h GLN 163 Cb -0.14 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1i2r h GLN 163 CO -0.09 0.75 0.30 0.00 -0.67 0.00 0.00 178.83 179.13 1i2r h ALA 164 N 0.86 0.65 -0.23 3.87 0.00 -0.94 -1.29 119.26 122.18 1i2r h ALA 164 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1i2r h ALA 164 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1i2r h ALA 164 CO 0.02 0.01 0.02 -0.09 0.00 0.00 0.00 179.25 179.21 1i2r h ARG 165 N 0.60 0.39 -0.71 0.00 2.43 -0.95 -2.26 114.38 113.89 1i2r h ARG 165 Ca 0.20 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1i2r h ARG 165 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1i2r h ARG 165 CO -0.09 0.55 0.41 0.00 -1.51 0.00 0.00 179.97 179.34 1i2r h ALA 166 N 0.83 1.39 -0.32 2.80 0.00 -1.15 -1.28 119.26 121.54 1i2r h ALA 166 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1i2r h ALA 166 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1i2r h ALA 166 CO 0.01 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.81 1i2r h ALA 168 N 0.88 0.77 0.00 0.00 0.00 -1.03 -2.35 119.26 117.53 1i2r h ALA 168 Ca 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1i2r h ALA 168 Cb 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1i2r h ALA 168 CO 0.01 0.32 -0.10 0.93 0.00 0.00 0.00 179.25 180.41 1i2r h GLU 169 N 0.82 0.00 -0.00 0.00 5.08 -1.12 -1.58 114.58 117.77 1i2r h GLU 169 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1i2r h GLU 169 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i2r h GLU 169 CO -0.03 0.10 -0.15 0.00 -1.00 0.00 0.00 179.01 177.92 1i2r n ALA 170 N -2.18 2.84 -2.45 3.43 0.00 -0.73 -4.94 120.51 116.46 1i2r n ALA 170 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1i2r n ALA 170 Cb 0.29 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.45 1i2r n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2r n GLY 171 N 1.32 -0.10 3.77 0.00 0.00 -0.59 -4.57 105.19 105.01 1i2r n GLY 171 Ca 0.13 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1i2r n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i2r s VAL 172 N -2.76 3.11 0.19 1.61 -7.23 -1.19 -4.95 120.40 109.18 1i2r s VAL 172 Ca 0.08 0.60 -0.10 0.00 -1.81 0.00 0.00 61.98 60.76 1i2r s VAL 172 Cb -0.04 -3.17 0.11 0.00 0.56 0.00 0.00 36.38 33.84 1i2r s VAL 172 CO 0.10 -0.23 1.73 0.15 -0.31 0.00 0.00 175.10 176.54 1i2r h PHE 173 N 0.59 1.08 -2.50 2.82 3.04 -1.94 -3.39 116.94 116.65 1i2r h PHE 173 Ca -0.49 -0.10 -0.09 0.00 3.98 0.00 0.00 57.97 61.28 1i2r h PHE 173 Cb 1.26 -0.32 -0.19 0.00 2.56 0.00 0.00 35.95 39.26 1i2r h PHE 173 CO 0.52 0.86 -0.03 -1.17 -2.02 0.00 0.00 178.31 176.48 1i2r s LEU 174 N -9.66 0.05 0.09 0.59 0.20 -0.85 -1.06 118.68 108.04 1i2r s LEU 174 Ca -0.12 0.41 0.09 0.00 0.69 0.00 0.00 54.13 55.20 1i2r s LEU 174 Cb 0.14 1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 47.81 1i2r s LEU 174 CO 0.82 -0.54 -0.24 0.27 -0.29 0.00 0.00 176.35 176.38 1i2r s ILE 175 N -1.30 1.94 -0.59 6.68 -4.36 -0.38 -0.85 121.20 122.34 1i2r s ILE 175 Ca -0.12 -1.53 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 1i2r s ILE 175 Cb -0.02 -1.72 0.17 0.00 1.25 0.00 0.00 42.46 42.14 1i2r s ILE 175 CO 0.07 0.09 0.43 0.00 0.24 0.00 0.00 174.94 175.78 1i2r s ALA 176 N -1.01 2.91 0.23 2.27 0.00 -0.15 -1.25 121.76 124.76 1i2r s ALA 176 Ca 0.10 -3.32 -0.30 0.00 0.00 0.00 0.00 51.96 48.44 1i2r s ALA 176 Cb -0.10 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 1i2r s ALA 176 CO 0.04 -2.05 1.31 -1.25 0.00 0.00 0.00 175.76 173.81 1i2r s PRO 177 N -0.88 4.39 0.41 0.00 0.04 -1.20 -4.05 135.00 133.70 1i2r s PRO 177 Ca 0.28 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 1i2r s PRO 177 Cb -0.02 -3.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.25 1i2r s PRO 177 CO -0.18 -0.23 0.94 -0.06 0.04 0.00 0.00 177.00 177.51 1i2r s PHE 178 N -0.19 3.38 -0.03 0.56 0.40 -1.09 -1.81 117.98 119.20 1i2r s PHE 178 Ca 0.55 1.62 -0.05 0.00 -0.60 0.00 0.00 56.93 58.45 1i2r s PHE 178 Cb -0.37 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 1i2r s PHE 178 CO 0.41 -0.04 -0.10 0.28 0.70 0.00 0.00 175.22 176.47 1i2r n VAL 179 N -0.42 0.85 -0.34 -0.44 0.31 -0.10 -4.64 118.33 113.55 1i2r n VAL 179 Ca 0.06 0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1i2r n VAL 179 Cb 0.53 -1.70 0.12 0.00 -0.91 0.00 0.00 33.84 31.88 1i2r n VAL 179 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1i2r h GLY 180 N -0.29 1.33 2.00 2.92 0.00 0.82 -2.29 103.07 107.56 1i2r h GLY 180 Ca -0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1i2r h GLY 180 CO -0.07 0.39 -0.26 3.21 0.00 0.00 0.00 176.54 179.81 1i2r h ARG 181 N 1.15 0.00 -0.29 4.80 3.08 -1.87 -0.25 114.38 121.00 1i2r h ARG 181 Ca 0.36 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.23 1i2r h ARG 181 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1i2r h ARG 181 CO -0.12 0.26 -0.54 0.82 -1.07 0.00 0.00 179.97 179.32 1i2r h ILE 182 N 0.00 1.27 -0.42 2.04 2.04 -1.69 -2.58 117.51 118.18 1i2r h ILE 182 Ca -0.00 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 1i2r h ILE 182 Cb 0.62 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1i2r h ILE 182 CO 0.03 0.56 0.18 0.25 0.00 0.00 0.00 178.15 179.18 1i2r h LEU 183 N 0.67 0.56 -0.77 1.44 5.85 -0.99 -2.70 115.31 119.37 1i2r h LEU 183 Ca 0.02 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.70 1i2r h LEU 183 Cb 1.15 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 1i2r h LEU 183 CO 0.12 0.55 0.39 0.44 -0.34 0.00 0.00 178.44 179.60 1i2r h ASP 184 N 0.53 0.49 -0.49 1.25 3.32 -0.96 -0.67 116.42 119.89 1i2r h ASP 184 Ca 0.14 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1i2r h ASP 184 Cb 0.15 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1i2r h ASP 184 CO -0.01 0.25 0.21 -0.25 -1.72 0.00 0.00 179.24 177.72 1i2r h TRP 185 N 0.62 0.74 -0.14 4.55 7.01 -1.22 -1.89 115.95 125.61 1i2r h TRP 185 Ca 0.39 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.23 1i2r h TRP 185 Cb 0.46 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 1i2r h TRP 185 CO -0.10 0.61 -0.39 1.88 -2.79 0.00 0.00 178.44 177.65 1i2r h TYR 186 N 0.65 0.36 -0.23 2.65 -1.99 -1.06 -0.24 116.97 117.11 1i2r h TYR 186 Ca 0.17 -0.09 -0.10 0.00 2.00 0.00 0.00 58.73 60.70 1i2r h TYR 186 Cb 0.18 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 1i2r h TYR 186 CO 0.00 0.66 -0.30 0.87 -0.00 0.00 0.00 178.16 179.39 1i2r h LYS 187 N 0.26 0.46 0.00 4.88 1.57 -0.92 -1.79 116.57 121.04 1i2r h LYS 187 Ca 0.03 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1i2r h LYS 187 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1i2r h LYS 187 CO 0.06 0.71 -0.95 0.00 -0.57 0.00 0.00 179.45 178.71 1i2r n ALA 188 N -2.49 2.65 -0.22 3.86 0.00 -0.73 -4.29 120.51 119.29 1i2r n ALA 188 Ca -0.01 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1i2r n ALA 188 Cb 0.43 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1i2r n ALA 188 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i2r n ASN 189 N -2.53 2.08 -4.12 0.00 3.02 -0.12 -5.02 115.26 108.56 1i2r n ASN 189 Ca 0.01 -2.22 -0.10 0.00 -0.03 0.00 0.00 54.58 52.23 1i2r n ASN 189 Cb 0.52 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.50 1i2r n ASN 189 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1i2r s THR 190 N -1.39 0.53 0.24 3.41 -1.32 -0.68 -5.00 115.64 111.44 1i2r s THR 190 Ca 0.07 -1.70 0.02 0.00 -1.21 0.00 0.00 61.69 58.87 1i2r s THR 190 Cb 0.06 -1.38 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 1i2r s THR 190 CO 0.01 -0.80 1.60 -2.24 -2.21 0.00 0.00 174.62 170.98 1i2r h ASP 191 N 3.36 0.41 -2.91 8.08 3.04 -1.89 -3.43 116.42 123.08 1i2r h ASP 191 Ca -0.35 -0.20 -0.57 0.00 -3.24 0.00 0.00 57.03 52.68 1i2r h ASP 191 Cb 1.17 -0.12 -0.04 0.00 -1.04 0.00 0.00 39.33 39.31 1i2r h ASP 191 CO 0.60 0.83 1.10 -0.75 -2.04 0.00 0.00 179.24 178.98 1i2r s LYS 192 N -4.04 3.73 -0.01 4.15 2.20 -1.26 -4.87 119.74 119.65 1i2r s LYS 192 Ca -0.06 1.44 0.21 0.00 -0.36 0.00 0.00 55.97 57.20 1i2r s LYS 192 Cb 0.12 -4.02 -0.25 0.00 -1.51 0.00 0.00 37.83 32.18 1i2r s LYS 192 CO 0.80 -1.37 0.78 1.63 -0.36 0.00 0.00 175.35 176.84 1i2r n LYS 193 N 7.74 0.31 -4.96 4.03 4.76 -1.26 -4.42 118.16 124.36 1i2r n LYS 193 Ca 0.18 -0.04 -0.28 0.00 -2.87 0.00 0.00 58.31 55.30 1i2r n LYS 193 Cb 0.46 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 32.01 1i2r n LYS 193 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1i2r s GLU 194 N -3.05 2.13 -0.01 1.97 2.02 -1.26 -4.92 118.70 115.57 1i2r s GLU 194 Ca 0.04 -0.69 0.04 0.00 0.02 0.00 0.00 54.97 54.38 1i2r s GLU 194 Cb 0.15 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.59 1i2r s GLU 194 CO 0.85 0.24 -0.12 0.71 0.02 0.00 0.00 175.26 176.96 1i2r s TYR 195 N 0.11 1.10 0.42 1.61 1.51 -1.26 -5.10 117.35 115.73 1i2r s TYR 195 Ca -0.07 -0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 1i2r s TYR 195 Cb -0.13 -0.71 -0.10 0.00 -0.11 0.00 0.00 41.96 40.91 1i2r s TYR 195 CO 0.04 -0.02 1.00 0.00 -1.11 0.00 0.00 175.55 175.46 1i2r s ALA 196 N -0.30 3.03 0.26 3.71 0.00 -1.26 -4.80 121.76 122.40 1i2r s ALA 196 Ca 0.05 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1i2r s ALA 196 Cb -0.05 -3.22 0.37 0.00 0.00 0.00 0.00 23.12 20.23 1i2r s ALA 196 CO -0.00 -0.07 1.57 -1.35 0.00 0.00 0.00 175.76 175.90 1i2r h PRO 197 N 2.17 -0.01 0.00 0.00 0.11 -1.97 0.28 132.00 132.57 1i2r h PRO 197 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1i2r h PRO 197 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1i2r h PRO 197 CO 0.61 -0.01 -0.00 0.00 -0.21 0.00 0.00 178.00 178.40 1i2r h ALA 198 N 1.79 1.00 -0.07 -0.75 0.00 -1.92 -2.51 119.26 116.81 1i2r h ALA 198 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1i2r h ALA 198 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1i2r h ALA 198 CO -0.94 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 177.46 1i2r n GLU 199 N -3.09 1.32 -1.67 0.00 0.28 0.85 -4.76 120.64 113.57 1i2r n GLU 199 Ca -0.01 -1.51 -0.43 0.00 -0.16 0.00 0.00 57.16 55.05 1i2r n GLU 199 Cb 0.18 -1.30 -0.03 0.00 1.43 0.00 0.00 31.44 31.71 1i2r n GLU 199 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1i2r n ASP 200 N 0.87 4.01 -0.31 -1.84 -0.08 -0.47 -4.83 116.55 113.89 1i2r n ASP 200 Ca 0.10 0.94 0.14 0.00 -1.51 0.00 0.00 54.79 54.46 1i2r n ASP 200 Cb 0.40 -1.51 0.38 0.00 2.34 0.00 0.00 41.12 42.73 1i2r n ASP 200 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1i2r h PRO 201 N 9.77 0.65 -0.55 -0.67 0.11 -1.91 -0.79 132.00 138.60 1i2r h PRO 201 Ca -0.49 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1i2r h PRO 201 Cb 1.24 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1i2r h PRO 201 CO 0.94 0.43 -0.09 0.78 -0.21 0.00 0.00 178.00 179.85 1i2r h GLY 202 N 0.67 1.12 0.93 -0.55 0.00 -1.87 -0.98 103.07 102.39 1i2r h GLY 202 Ca 0.52 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1i2r h GLY 202 CO -0.28 0.82 -0.01 -2.08 0.00 0.00 0.00 176.54 174.99 1i2r h VAL 203 N 0.91 1.26 -0.63 4.60 2.07 -1.52 -2.04 116.25 120.91 1i2r h VAL 203 Ca 0.14 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1i2r h VAL 203 Cb 0.66 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1i2r h VAL 203 CO 0.05 0.34 0.40 0.58 0.02 0.00 0.00 177.57 178.95 1i2r h VAL 204 N 0.48 1.18 -0.02 2.57 2.07 -1.08 -0.69 116.25 120.75 1i2r h VAL 204 Ca 0.10 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1i2r h VAL 204 Cb 0.49 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1i2r h VAL 204 CO 0.02 0.18 0.01 -1.28 0.02 0.00 0.00 177.57 176.52 1i2r h SER 205 N 0.85 0.03 -0.62 0.57 0.87 -1.01 -1.44 113.55 112.81 1i2r h SER 205 Ca 0.23 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 1i2r h SER 205 Cb -0.06 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1i2r h SER 205 CO -0.05 0.03 0.09 0.58 -0.53 0.00 0.00 176.83 176.95 1i2r h VAL 206 N 0.02 1.26 -0.55 2.23 2.07 -1.17 -1.82 116.25 118.29 1i2r h VAL 206 Ca 0.01 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1i2r h VAL 206 Cb 0.01 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1i2r h VAL 206 CO -0.00 0.38 0.35 0.28 0.02 0.00 0.00 177.57 178.61 1i2r h SER 207 N 0.98 0.63 -0.47 0.57 0.02 -0.94 0.77 113.55 115.11 1i2r h SER 207 Ca 0.19 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1i2r h SER 207 Cb 0.44 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1i2r h SER 207 CO 0.01 0.47 0.04 -0.33 -1.14 0.00 0.00 176.83 175.88 1i2r h GLU 208 N 0.74 0.87 -0.30 3.45 5.08 -1.01 -1.53 114.58 121.87 1i2r h GLU 208 Ca 0.20 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1i2r h GLU 208 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1i2r h GLU 208 CO -0.04 0.84 -0.06 0.82 -1.00 0.00 0.00 179.01 179.57 1i2r h ILE 209 N 0.81 1.28 -0.37 3.13 2.04 -0.85 -1.93 117.51 121.63 1i2r h ILE 209 Ca 0.16 -1.08 0.05 0.00 1.00 0.00 0.00 64.86 65.00 1i2r h ILE 209 Cb 0.43 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1i2r h ILE 209 CO 0.02 0.35 0.08 0.22 0.00 0.00 0.00 178.15 178.81 1i2r h TYR 210 N 0.34 0.12 0.04 1.37 3.20 -0.62 -0.73 116.97 120.69 1i2r h TYR 210 Ca 0.08 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1i2r h TYR 210 Cb 0.54 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1i2r h TYR 210 CO 0.05 0.02 -0.07 1.96 -1.64 0.00 0.00 178.16 178.48 1i2r h GLN 211 N 0.20 -0.13 -0.87 1.82 1.08 -1.17 -1.51 115.11 114.53 1i2r h GLN 211 Ca 0.17 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 1i2r h GLN 211 Cb 0.20 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1i2r h GLN 211 CO -0.23 -0.09 0.53 -0.92 -0.95 0.00 0.00 178.83 177.18 1i2r h TYR 212 N -0.14 0.98 -0.04 2.96 3.20 -1.00 0.54 116.97 123.47 1i2r h TYR 212 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1i2r h TYR 212 Cb 0.15 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1i2r h TYR 212 CO -0.12 0.48 0.00 1.88 -1.64 0.00 0.00 178.16 178.77 1i2r h TYR 213 N 0.96 0.08 -0.27 -3.82 -1.99 -0.85 -2.92 116.97 108.17 1i2r h TYR 213 Ca 0.38 -0.01 -0.15 0.00 2.00 0.00 0.00 58.73 60.95 1i2r h TYR 213 Cb 0.21 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1i2r h TYR 213 CO -0.03 0.36 -0.44 0.87 -0.00 0.00 0.00 178.16 178.91 1i2r h LYS 214 N -0.21 0.68 -0.10 4.88 1.79 -1.10 -1.75 116.57 120.76 1i2r h LYS 214 Ca 0.01 -0.37 0.01 0.00 -2.18 0.00 0.00 60.65 58.12 1i2r h LYS 214 Cb 0.32 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1i2r h LYS 214 CO 0.00 0.99 0.07 1.49 -1.08 0.00 0.00 179.45 180.92 1i2r h GLU 215 N 0.55 0.09 -0.44 3.15 4.81 -0.93 -2.48 114.58 119.33 1i2r h GLU 215 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1i2r h GLU 215 Cb 0.99 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1i2r h GLU 215 CO 0.09 0.06 0.00 0.72 -0.73 0.00 0.00 179.01 179.15 1i2r n HIS 216 N -4.52 0.75 -1.44 0.92 8.25 -1.10 0.03 115.22 118.11 1i2r n HIS 216 Ca -0.01 -0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 56.74 1i2r n HIS 216 Cb 0.12 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.08 1i2r n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i2r n GLY 217 N 0.65 1.35 3.76 -1.41 0.00 -0.93 -4.78 105.19 103.82 1i2r n GLY 217 Ca 0.17 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1i2r n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i2r s TYR 218 N -2.52 3.14 -1.43 1.61 2.02 -0.69 -4.92 117.35 114.56 1i2r s TYR 218 Ca 0.00 1.31 0.27 0.00 -0.37 0.00 0.00 57.07 58.28 1i2r s TYR 218 Cb 0.00 -3.66 0.86 0.00 -0.40 0.00 0.00 41.96 38.76 1i2r s TYR 218 CO 0.00 -1.92 1.64 0.39 -1.57 0.00 0.00 175.55 174.09 1i2r n GLU 219 N 1.63 0.47 -1.70 -0.62 1.02 -1.26 -4.74 120.64 115.44 1i2r n GLU 219 Ca 0.03 -0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 56.50 1i2r n GLU 219 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 1i2r n GLU 219 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1i2r n THR 220 N -1.06 0.07 -2.32 2.62 -1.04 -1.26 -4.93 114.28 106.36 1i2r n THR 220 Ca 0.10 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 1i2r n THR 220 Cb 0.32 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.93 1i2r n THR 220 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i2r s VAL 221 N 1.42 3.44 -0.27 12.58 1.01 -0.22 -4.89 120.40 133.47 1i2r s VAL 221 Ca 0.78 1.22 -0.09 0.00 0.00 0.00 0.00 61.98 63.88 1i2r s VAL 221 Cb -0.56 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1i2r s VAL 221 CO 0.35 0.20 0.14 -0.69 0.00 0.00 0.00 175.10 175.09 1i2r s VAL 222 N -0.06 4.85 -0.25 2.92 1.01 -1.26 -1.25 120.40 126.37 1i2r s VAL 222 Ca 0.54 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1i2r s VAL 222 Cb -0.34 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 32.81 1i2r s VAL 222 CO 0.38 0.29 -0.01 -0.32 0.00 0.00 0.00 175.10 175.43 1i2r s MET 223 N 1.69 1.40 0.37 2.72 0.00 -0.38 -2.24 119.30 122.86 1i2r s MET 223 Ca 0.07 -1.03 -0.27 0.00 0.00 0.00 0.00 55.69 54.45 1i2r s MET 223 Cb -0.16 -2.53 -0.09 0.00 0.00 0.00 0.00 34.83 32.06 1i2r s MET 223 CO 0.08 -0.69 1.26 0.20 0.00 0.00 0.00 175.02 175.87 1i2r s GLY 224 N 1.42 2.94 0.12 2.11 0.00 -1.00 -3.26 107.32 109.65 1i2r s GLY 224 Ca -0.02 1.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.84 1i2r s GLY 224 CO -0.09 1.74 0.06 0.00 0.00 0.00 0.00 173.10 174.81 1i2r s ALA 225 N -1.26 0.75 -0.18 3.20 0.00 -0.75 -1.71 121.76 121.81 1i2r s ALA 225 Ca 0.54 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1i2r s ALA 225 Cb -0.36 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1i2r s ALA 225 CO 0.47 -0.48 0.19 0.45 0.00 0.00 0.00 175.76 176.39 1i2r n SER 226 N -0.07 -1.47 -4.34 0.00 2.88 -1.26 -0.93 113.62 108.42 1i2r n SER 226 Ca -0.07 1.19 -0.28 0.00 -1.33 0.00 0.00 58.87 58.38 1i2r n SER 226 Cb 0.63 -4.75 -0.13 0.00 -0.75 0.00 0.00 64.21 59.22 1i2r n SER 226 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1i2r s PHE 227 N -0.71 2.13 -0.11 0.66 0.08 -1.26 0.12 117.98 118.90 1i2r s PHE 227 Ca -0.22 -0.39 0.15 0.00 0.12 0.00 0.00 56.93 56.59 1i2r s PHE 227 Cb 0.01 -1.18 -0.22 0.00 -0.57 0.00 0.00 43.02 41.06 1i2r s PHE 227 CO 0.70 0.26 0.36 0.54 -0.10 0.00 0.00 175.22 176.98 1i2r n ARG 228 N 1.15 0.68 -3.51 0.44 5.12 -1.26 -4.87 116.66 114.41 1i2r n ARG 228 Ca -0.18 -0.12 -0.10 0.00 -1.93 0.00 0.00 57.85 55.52 1i2r n ARG 228 Cb 0.53 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.48 1i2r n ARG 228 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i2r s ASN 229 N -3.54 -0.45 0.56 0.55 2.20 -1.26 -5.03 114.94 107.98 1i2r s ASN 229 Ca -0.04 -0.09 0.35 0.00 -0.94 0.00 0.00 52.86 52.14 1i2r s ASN 229 Cb 0.10 0.54 1.58 0.00 -2.00 0.00 0.00 41.25 41.47 1i2r s ASN 229 CO 0.62 -0.90 2.07 0.16 -2.94 0.00 0.00 177.10 176.11 1i2r h ILE 230 N 2.00 0.12 -0.91 0.54 3.07 -1.96 -2.77 117.51 117.60 1i2r h ILE 230 Ca -0.28 -0.45 0.02 0.00 1.55 0.00 0.00 64.86 65.70 1i2r h ILE 230 Cb 1.28 1.40 -0.05 0.00 -0.27 0.00 0.00 36.82 39.18 1i2r h ILE 230 CO 0.33 0.03 0.60 1.23 -1.05 0.00 0.00 178.15 179.30 1i2r h GLY 231 N 1.44 1.29 1.09 0.16 0.00 -1.99 -0.40 103.07 104.66 1i2r h GLY 231 Ca -0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1i2r h GLY 231 CO 0.00 0.42 0.01 0.83 0.00 0.00 0.00 176.54 177.81 1i2r h GLU 232 N 1.18 1.09 0.03 4.80 5.08 -1.84 -2.26 114.58 122.65 1i2r h GLU 232 Ca 0.35 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i2r h GLU 232 Cb -0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1i2r h GLU 232 CO -0.09 1.05 -0.01 0.82 -1.00 0.00 0.00 179.01 179.78 1i2r h ILE 233 N 0.99 1.12 -0.49 3.13 2.04 -1.42 -2.96 117.51 119.92 1i2r h ILE 233 Ca 0.18 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1i2r h ILE 233 Cb 0.56 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1i2r h ILE 233 CO 0.03 0.12 0.24 -0.07 0.00 0.00 0.00 178.15 178.47 1i2r h LEU 234 N -0.23 0.60 -0.72 1.44 3.38 -1.08 -1.06 115.31 117.63 1i2r h LEU 234 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1i2r h LEU 234 Cb 0.22 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1i2r h LEU 234 CO 0.01 0.51 0.00 1.21 0.09 0.00 0.00 178.44 180.25 1i2r n GLU 235 N -4.39 0.19 -0.29 1.13 4.07 -0.85 -2.34 120.64 118.15 1i2r n GLU 235 Ca 0.04 0.43 0.07 0.00 -0.06 0.00 0.00 57.16 57.64 1i2r n GLU 235 Cb 0.12 -1.87 0.20 0.00 -0.06 0.00 0.00 31.44 29.83 1i2r n GLU 235 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1i2r n LEU 236 N -2.23 3.35 -4.68 4.31 4.77 -0.42 -4.64 117.00 117.46 1i2r n LEU 236 Ca 0.02 -2.34 -0.46 0.00 -0.03 0.00 0.00 56.01 53.20 1i2r n LEU 236 Cb 0.22 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1i2r n LEU 236 CO 0.19 0.72 1.36 0.00 -1.33 0.00 0.00 177.39 178.33 1i2r n ALA 237 N 0.26 1.39 0.00 -1.18 0.00 -0.99 -1.19 120.51 118.79 1i2r n ALA 237 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1i2r n ALA 237 Cb 0.60 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1i2r n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i2r n GLY 238 N 3.94 2.01 3.75 0.00 0.00 -1.26 -0.65 105.19 112.97 1i2r n GLY 238 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1i2r n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2r h ASP 240 N 1.22 -0.95 -5.29 0.00 3.32 -1.87 -3.40 116.42 109.45 1i2r h ASP 240 Ca -0.51 0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1i2r h ASP 240 Cb 1.31 0.49 -0.14 0.00 0.22 0.00 0.00 39.33 41.21 1i2r h ASP 240 CO 0.56 -0.28 -0.44 -0.13 -1.72 0.00 0.00 179.24 177.23 1i2r s ARG 241 N -6.07 1.01 -0.12 3.56 0.52 -0.95 -2.10 118.95 114.79 1i2r s ARG 241 Ca -0.14 -1.21 -0.06 0.00 -0.52 0.00 0.00 55.73 53.80 1i2r s ARG 241 Cb 0.16 0.33 0.06 0.00 0.52 0.00 0.00 34.95 36.01 1i2r s ARG 241 CO 0.70 -0.33 0.28 -0.51 0.02 0.00 0.00 175.30 175.45 1i2r s LEU 242 N -2.97 0.05 -0.25 2.53 1.43 -1.01 -2.37 118.68 116.09 1i2r s LEU 242 Ca 0.16 0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 53.77 1i2r s LEU 242 Cb 0.05 0.81 -0.04 0.00 0.03 0.00 0.00 46.19 47.04 1i2r s LEU 242 CO -0.02 -0.20 0.14 0.28 0.23 0.00 0.00 176.35 176.78 1i2r s THR 243 N 1.76 5.06 -0.02 5.49 -1.32 -0.70 -1.18 115.64 124.73 1i2r s THR 243 Ca -0.05 0.08 0.07 0.00 -1.21 0.00 0.00 61.69 60.57 1i2r s THR 243 Cb -0.11 -3.37 -0.02 0.00 -1.51 0.00 0.00 72.50 67.50 1i2r s THR 243 CO -0.09 0.33 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.80 1i2r s ILE 244 N 1.29 1.74 0.56 5.08 1.01 0.39 -4.21 121.20 127.06 1i2r s ILE 244 Ca 0.06 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1i2r s ILE 244 Cb -0.14 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 1i2r s ILE 244 CO 0.06 0.49 1.18 0.00 0.00 0.00 0.00 174.94 176.67 1i2r s ALA 245 N -0.47 2.65 0.30 9.38 0.00 -1.26 -1.16 121.76 131.19 1i2r s ALA 245 Ca 0.07 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.05 1i2r s ALA 245 Cb -0.09 -3.42 0.75 0.00 0.00 0.00 0.00 23.12 20.36 1i2r s ALA 245 CO -0.00 -0.99 1.78 -1.35 0.00 0.00 0.00 175.76 175.19 1i2r h PRO 246 N 1.13 0.74 -0.92 0.00 0.11 -1.98 -1.41 132.00 129.66 1i2r h PRO 246 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.60 1i2r h PRO 246 Cb 1.28 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1i2r h PRO 246 CO 0.56 0.49 0.59 0.00 -0.21 0.00 0.00 178.00 179.43 1i2r h ALA 247 N 1.65 1.23 0.00 -0.75 0.00 -1.97 -0.38 119.26 119.04 1i2r h ALA 247 Ca 0.58 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.27 1i2r h ALA 247 Cb 0.91 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1i2r h ALA 247 CO -0.38 0.44 -0.91 -0.07 0.00 0.00 0.00 179.25 178.32 1i2r h LEU 248 N 1.14 0.00 -0.78 0.00 3.38 -1.69 -2.91 115.31 114.44 1i2r h LEU 248 Ca 0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1i2r h LEU 248 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1i2r h LEU 248 CO -0.13 0.91 0.32 -0.07 0.09 0.00 0.00 178.44 179.56 1i2r h LEU 249 N 0.00 1.07 -0.08 1.67 4.07 -0.68 -1.68 115.31 119.67 1i2r h LEU 249 Ca -0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.78 1i2r h LEU 249 Cb 1.67 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.13 1i2r h LEU 249 CO 0.12 0.95 0.05 0.50 -1.08 0.00 0.00 178.44 178.97 1i2r h LYS 250 N 1.13 0.12 -0.92 1.13 3.64 -1.05 -1.91 116.57 118.69 1i2r h LYS 250 Ca 0.26 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1i2r h LYS 250 Cb 0.20 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1i2r h LYS 250 CO -0.02 0.14 0.58 0.93 -2.27 0.00 0.00 179.45 178.81 1i2r h GLU 251 N 0.06 1.02 -0.53 1.90 5.08 -1.28 -1.94 114.58 118.90 1i2r h GLU 251 Ca 0.03 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1i2r h GLU 251 Cb 0.06 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1i2r h GLU 251 CO -0.01 0.68 0.05 -0.07 -1.00 0.00 0.00 179.01 178.66 1i2r h LEU 252 N 1.05 0.87 -1.04 1.33 3.38 -1.06 -2.75 115.31 117.10 1i2r h LEU 252 Ca 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i2r h LEU 252 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1i2r h LEU 252 CO -0.18 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1i2r h ALA 253 N 0.97 1.00 -0.03 1.53 0.00 -0.87 -2.66 119.26 119.19 1i2r h ALA 253 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i2r h ALA 253 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1i2r h ALA 253 CO 0.02 0.00 -0.11 0.39 0.00 0.00 0.00 179.25 179.55 1i2r n GLU 254 N -2.78 2.00 -4.26 0.00 1.02 -0.77 -4.79 120.64 111.06 1i2r n GLU 254 Ca 0.02 -1.67 -0.34 0.00 -0.02 0.00 0.00 57.16 55.14 1i2r n GLU 254 Cb 0.30 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 1i2r n GLU 254 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1i2r s SER 255 N -2.06 5.22 0.38 1.62 1.04 -1.06 -5.04 113.70 113.80 1i2r s SER 255 Ca 0.25 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 1i2r s SER 255 Cb 0.19 -1.76 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1i2r s SER 255 CO 0.36 0.23 0.65 -1.61 0.98 0.00 0.00 173.24 173.85 1i2r s GLU 256 N -0.01 3.58 0.00 4.02 0.41 -1.26 -1.08 118.70 124.36 1i2r s GLU 256 Ca 0.03 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.62 1i2r s GLU 256 Cb -0.13 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.69 1i2r s GLU 256 CO 0.02 0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.23 1i2r n GLY 257 N -1.63 2.34 3.72 -1.39 0.00 -0.23 -4.78 105.19 103.23 1i2r n GLY 257 Ca -0.01 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1i2r n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i2r s ALA 258 N 0.00 1.93 0.40 4.61 0.00 -1.26 -4.19 121.76 123.24 1i2r s ALA 258 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1i2r s ALA 258 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1i2r s ALA 258 CO 0.00 -2.15 0.02 0.96 0.00 0.00 0.00 175.76 174.58 1i2r s ILE 259 N -2.53 2.09 0.03 0.00 -4.36 -1.26 -5.05 121.20 110.13 1i2r s ILE 259 Ca 0.67 -1.99 0.04 0.00 -0.26 0.00 0.00 60.65 59.12 1i2r s ILE 259 Cb -0.23 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.50 1i2r s ILE 259 CO 0.53 -0.03 -0.08 -1.83 0.24 0.00 0.00 174.94 173.76 1i2r s GLU 260 N -3.72 2.42 0.22 0.37 -1.05 -1.26 -4.98 118.70 110.70 1i2r s GLU 260 Ca 0.35 -0.82 -0.31 0.00 -0.15 0.00 0.00 54.97 54.05 1i2r s GLU 260 Cb 0.08 -2.43 -0.10 0.00 -0.44 0.00 0.00 34.13 31.23 1i2r s GLU 260 CO 0.18 0.57 1.50 0.50 0.95 0.00 0.00 175.26 178.97 1i2r s ARG 261 N -1.65 4.24 -0.15 -4.83 3.52 -1.26 -4.80 118.95 114.02 1i2r s ARG 261 Ca 0.18 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1i2r s ARG 261 Cb -0.11 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 1i2r s ARG 261 CO 0.09 -0.51 -0.14 1.63 -0.81 0.00 0.00 175.30 175.57 1i2r n LYS 262 N 2.96 0.37 -3.38 5.12 4.76 0.17 -4.96 118.16 123.20 1i2r n LYS 262 Ca 0.10 0.09 -0.39 0.00 -2.87 0.00 0.00 58.31 55.24 1i2r n LYS 262 Cb 0.39 -1.27 -0.09 0.00 -1.84 0.00 0.00 35.03 32.22 1i2r n LYS 262 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1i2r s LEU 263 N -5.98 4.04 -0.01 -0.35 1.43 -0.56 -5.01 118.68 112.24 1i2r s LEU 263 Ca -0.20 0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1i2r s LEU 263 Cb 0.06 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.88 1i2r s LEU 263 CO 0.34 -0.19 0.51 -0.44 0.23 0.00 0.00 176.35 176.80 1i2r s SER 264 N 1.61 -0.44 -0.16 2.29 0.01 -1.26 -4.58 113.70 111.17 1i2r s SER 264 Ca 0.16 0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.74 1i2r s SER 264 Cb -0.16 0.45 0.05 0.00 0.21 0.00 0.00 66.02 66.57 1i2r s SER 264 CO 0.10 -0.59 0.02 -0.47 0.41 0.00 0.00 173.24 172.70 1i2r s TYR 265 N -1.62 1.05 -1.68 2.43 5.04 -1.26 -5.01 117.35 116.30 1i2r s TYR 265 Ca -0.10 -0.74 0.15 0.00 -2.44 0.00 0.00 57.07 53.94 1i2r s TYR 265 Cb -0.02 -1.02 0.06 0.00 0.35 0.00 0.00 41.96 41.34 1i2r s TYR 265 CO 0.05 -0.55 0.91 0.25 -1.34 0.00 0.00 175.55 174.87 1i2r n THR 266 N 5.04 0.00 -0.60 4.34 -2.24 -1.26 -5.01 114.28 114.55 1i2r n THR 266 Ca -0.09 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1i2r n THR 266 Cb 0.48 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1i2r n THR 266 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i2r n GLY 267 N 0.99 -1.19 3.96 3.38 0.00 -1.26 -5.07 105.19 105.99 1i2r n GLY 267 Ca 0.08 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 1i2r n GLY 267 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i2r s GLU 268 N -1.95 3.45 0.26 1.61 2.02 -1.26 -5.07 118.70 117.75 1i2r s GLU 268 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1i2r s GLU 268 Cb 0.00 -2.91 -0.09 0.00 0.10 0.00 0.00 34.13 31.22 1i2r s GLU 268 CO 0.00 0.46 1.24 0.08 0.02 0.00 0.00 175.26 177.06 1i2r s VAL 269 N -1.89 3.14 0.27 2.63 1.01 -1.26 -4.91 120.40 119.39 1i2r s VAL 269 Ca 0.35 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.46 1i2r s VAL 269 Cb -0.10 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1i2r s VAL 269 CO 0.29 0.22 0.24 -0.54 0.00 0.00 0.00 175.10 175.31 1i2r s LYS 270 N -1.04 2.95 0.47 2.72 1.02 0.11 -5.00 119.74 120.97 1i2r s LYS 270 Ca 0.50 -1.07 -0.23 0.00 0.02 0.00 0.00 55.97 55.19 1i2r s LYS 270 Cb -0.36 -2.59 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 1i2r s LYS 270 CO 0.44 0.34 1.26 0.00 -0.92 0.00 0.00 175.35 176.47 1i2r s ALA 271 N -2.15 3.01 0.23 5.17 0.00 -1.26 -4.53 121.76 122.22 1i2r s ALA 271 Ca 0.35 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.24 1i2r s ALA 271 Cb -0.08 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 1i2r s ALA 271 CO 0.26 -0.92 0.77 1.03 0.00 0.00 0.00 175.76 176.89 1i2r s ARG 272 N -2.63 4.35 0.81 0.00 0.52 -1.26 -4.99 118.95 115.76 1i2r s ARG 272 Ca 0.64 0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 56.70 1i2r s ARG 272 Cb -0.35 -2.92 0.19 0.00 0.52 0.00 0.00 34.95 32.39 1i2r s ARG 272 CO 0.43 0.40 1.04 -0.35 0.02 0.00 0.00 175.30 176.83 1i2r n PRO 273 N 0.83 -1.29 -1.39 3.54 -0.04 -1.26 -5.03 135.00 130.36 1i2r n PRO 273 Ca -0.02 -1.61 -0.32 0.00 -0.04 0.00 0.00 63.50 61.52 1i2r n PRO 273 Cb 0.51 -1.13 0.08 0.00 -0.04 0.00 0.00 33.50 32.92 1i2r n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i2r s ALA 274 N -3.83 2.32 0.35 0.55 0.00 -1.26 -4.97 121.76 114.91 1i2r s ALA 274 Ca 0.60 0.34 -0.27 0.00 0.00 0.00 0.00 51.96 52.62 1i2r s ALA 274 Cb -0.02 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1i2r s ALA 274 CO 0.42 -1.64 1.15 1.03 0.00 0.00 0.00 175.76 176.73 1i2r s ARG 275 N -4.70 4.28 0.26 0.00 0.52 -1.26 -5.00 118.95 113.05 1i2r s ARG 275 Ca 0.63 1.84 -0.30 0.00 -0.52 0.00 0.00 55.73 57.38 1i2r s ARG 275 Cb -0.18 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1i2r s ARG 275 CO 0.52 -0.12 1.07 -1.50 0.02 0.00 0.00 175.30 175.29 1i2r s ILE 276 N -1.33 3.63 0.58 1.52 2.07 -1.26 -5.04 121.20 121.37 1i2r s ILE 276 Ca 0.52 1.61 -0.01 0.00 -1.41 0.00 0.00 60.65 61.37 1i2r s ILE 276 Cb -0.31 -4.02 0.04 0.00 0.13 0.00 0.00 42.46 38.29 1i2r s ILE 276 CO 0.40 0.37 0.82 0.42 -1.91 0.00 0.00 174.94 175.04 1i2r s THR 277 N -1.03 2.70 0.22 4.00 -4.23 -1.26 -4.90 115.64 111.13 1i2r s THR 277 Ca 0.45 -0.56 -0.09 0.00 -1.18 0.00 0.00 61.69 60.31 1i2r s THR 277 Cb -0.31 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.67 1i2r s THR 277 CO 0.39 -0.03 1.88 -0.08 -0.54 0.00 0.00 174.62 176.23 1i2r h GLU 278 N -0.05 1.00 -0.41 3.99 4.81 -1.98 0.40 114.58 122.34 1i2r h GLU 278 Ca -0.43 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1i2r h GLU 278 Cb 1.30 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1i2r h GLU 278 CO 0.54 0.66 0.21 0.77 -0.73 0.00 0.00 179.01 180.47 1i2r h SER 279 N 1.03 0.52 -0.57 1.04 0.02 -1.99 0.66 113.55 114.26 1i2r h SER 279 Ca 0.30 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 1i2r h SER 279 Cb -0.06 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1i2r h SER 279 CO -0.09 0.48 0.02 -0.33 -1.14 0.00 0.00 176.83 175.78 1i2r h GLU 280 N 0.52 1.01 0.08 3.45 5.08 -1.88 -0.90 114.58 121.94 1i2r h GLU 280 Ca 0.14 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1i2r h GLU 280 Cb 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i2r h GLU 280 CO -0.02 0.98 -0.04 0.35 -1.00 0.00 0.00 179.01 179.28 1i2r h PHE 281 N 0.93 -0.10 -0.63 4.33 3.57 -0.49 -0.98 116.94 123.58 1i2r h PHE 281 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1i2r h PHE 281 Cb 0.51 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1i2r h PHE 281 CO 0.03 -0.05 0.37 -0.07 -2.23 0.00 0.00 178.31 176.36 1i2r h LEU 282 N -0.12 0.76 -0.04 0.59 3.38 -0.72 0.36 115.31 119.51 1i2r h LEU 282 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1i2r h LEU 282 Cb 0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1i2r h LEU 282 CO 0.02 0.61 0.02 -0.25 0.09 0.00 0.00 178.44 178.93 1i2r h TRP 283 N 0.85 0.04 -0.46 1.13 2.91 -0.96 -2.04 115.95 117.42 1i2r h TRP 283 Ca 0.22 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.13 1i2r h TRP 283 Cb -0.00 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 1i2r h TRP 283 CO -0.02 0.02 -0.16 1.96 -1.03 0.00 0.00 178.44 179.21 1i2r h GLN 284 N 0.04 0.92 -0.32 2.65 4.20 -1.01 -2.73 115.11 118.86 1i2r h GLN 284 Ca 0.02 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1i2r h GLN 284 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1i2r h GLN 284 CO -0.01 1.03 0.17 1.25 -0.67 0.00 0.00 178.83 180.60 1i2r h HIS 285 N 0.76 0.45 0.00 2.96 2.76 -0.89 -2.58 115.15 118.61 1i2r h HIS 285 Ca 0.11 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1i2r h HIS 285 Cb 0.72 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1i2r h HIS 285 CO 0.05 0.37 0.00 0.09 -1.30 0.00 0.00 177.93 177.15 1i2r n ASN 286 N -4.78 0.00 0.13 3.26 3.02 -0.77 -1.95 115.26 114.16 1i2r n ASN 286 Ca -0.01 -0.30 0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1i2r n ASN 286 Cb 0.09 -0.16 0.37 0.00 -0.61 0.00 0.00 39.78 39.46 1i2r n ASN 286 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1i2r h GLN 287 N 0.00 0.00 -4.11 3.52 1.08 -1.14 -3.41 115.11 111.05 1i2r h GLN 287 Ca 0.00 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.44 1i2r h GLN 287 Cb 0.11 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.30 1i2r h GLN 287 CO 0.00 0.00 -0.23 0.34 -0.95 0.00 0.00 178.83 177.99 1i2r s ASP 288 N -4.80 6.17 0.27 1.46 -1.08 -0.82 -4.96 116.67 112.91 1i2r s ASP 288 Ca 0.10 -1.75 -0.00 0.00 -0.52 0.00 0.00 52.55 50.37 1i2r s ASP 288 Cb 0.11 -2.20 0.51 0.00 -1.46 0.00 0.00 42.92 39.88 1i2r s ASP 288 CO 0.60 -0.84 1.83 -0.65 0.52 0.00 0.00 175.17 176.64 1i2r h PRO 289 N 8.87 0.95 -0.02 4.34 0.11 -1.85 -0.90 132.00 143.50 1i2r h PRO 289 Ca -0.30 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 1i2r h PRO 289 Cb 1.10 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1i2r h PRO 289 CO 1.02 0.63 0.00 1.98 -0.21 0.00 0.00 178.00 181.42 1i2r h MET 290 N 0.97 0.03 -0.98 1.05 -1.53 -1.94 -2.63 114.93 109.91 1i2r h MET 290 Ca 0.47 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.73 1i2r h MET 290 Cb 0.43 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.43 1i2r h MET 290 CO -0.25 0.26 0.63 0.00 0.14 0.00 0.00 176.91 177.69 1i2r h ALA 291 N 0.77 1.24 0.15 0.39 0.00 -1.74 -1.08 119.26 118.99 1i2r h ALA 291 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1i2r h ALA 291 Cb 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1i2r h ALA 291 CO 0.00 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 1i2r h VAL 292 N 1.33 0.75 0.60 0.00 2.07 -1.12 -1.96 116.25 117.92 1i2r h VAL 292 Ca 0.35 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.85 1i2r h VAL 292 Cb -0.12 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1i2r h VAL 292 CO -0.07 0.00 -0.29 0.44 0.02 0.00 0.00 177.57 177.67 1i2r h ASP 293 N -0.28 -0.68 -0.43 0.57 5.19 -1.22 -3.25 116.42 116.32 1i2r h ASP 293 Ca -0.01 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.36 1i2r h ASP 293 Cb 0.25 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1i2r h ASP 293 CO -0.01 -0.41 0.17 0.11 -3.12 0.00 0.00 179.24 175.98 1i2r h LYS 294 N -0.92 0.71 0.21 3.56 1.79 -1.23 -1.15 116.57 119.54 1i2r h LYS 294 Ca -0.08 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 1i2r h LYS 294 Cb 0.65 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1i2r h LYS 294 CO 0.14 0.60 -0.10 1.25 -1.08 0.00 0.00 179.45 180.26 1i2r h LEU 295 N 0.70 -0.24 -0.72 2.94 5.85 -1.45 -0.28 115.31 122.10 1i2r h LEU 295 Ca 0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1i2r h LEU 295 Cb 0.18 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1i2r h LEU 295 CO -0.01 0.03 0.44 0.00 -0.34 0.00 0.00 178.44 178.56 1i2r h ALA 296 N 0.21 0.91 -0.33 1.25 0.00 -1.57 -2.29 119.26 117.44 1i2r h ALA 296 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1i2r h ALA 296 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1i2r h ALA 296 CO 0.05 0.38 0.15 1.49 0.00 0.00 0.00 179.25 181.31 1i2r h GLU 297 N 0.97 0.49 -0.88 0.00 4.81 -1.17 -1.49 114.58 117.30 1i2r h GLU 297 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1i2r h GLU 297 Cb -0.04 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.20 1i2r h GLU 297 CO -0.05 0.46 0.57 0.78 -0.73 0.00 0.00 179.01 180.05 1i2r h GLY 298 N 0.40 1.28 0.95 1.92 0.00 -0.80 -1.27 103.07 105.55 1i2r h GLY 298 Ca 0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1i2r h GLY 298 CO -0.01 0.39 0.05 -2.22 0.00 0.00 0.00 176.54 174.74 1i2r h ILE 299 N 1.13 1.25 -0.28 2.60 2.04 -1.24 -2.16 117.51 120.84 1i2r h ILE 299 Ca 0.35 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1i2r h ILE 299 Cb -0.02 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1i2r h ILE 299 CO -0.11 0.31 0.13 0.03 0.00 0.00 0.00 178.15 178.51 1i2r h ARG 300 N 0.55 0.27 -0.50 2.37 3.08 -0.65 -1.63 114.38 117.86 1i2r h ARG 300 Ca 0.12 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1i2r h ARG 300 Cb 0.40 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1i2r h ARG 300 CO 0.01 0.18 0.20 0.87 -1.07 0.00 0.00 179.97 180.16 1i2r h LYS 301 N 0.27 0.75 -0.02 0.04 1.57 -1.19 -1.78 116.57 116.22 1i2r h LYS 301 Ca 0.12 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1i2r h LYS 301 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1i2r h LYS 301 CO -0.10 0.67 -0.25 0.74 -0.57 0.00 0.00 179.45 179.95 1i2r h PHE 302 N 0.67 0.03 -0.34 -1.35 0.04 -1.24 -1.84 116.94 112.92 1i2r h PHE 302 Ca 0.17 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.80 1i2r h PHE 302 Cb 0.20 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1i2r h PHE 302 CO 0.01 0.27 -0.32 0.00 -0.60 0.00 0.00 178.31 177.67 1i2r h ALA 303 N 1.73 0.50 -0.45 2.45 0.00 -0.91 -1.93 119.26 120.64 1i2r h ALA 303 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1i2r h ALA 303 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1i2r h ALA 303 CO 0.03 0.55 0.18 0.82 0.00 0.00 0.00 179.25 180.83 1i2r h ILE 304 N 0.60 1.21 -0.04 0.00 2.04 -0.93 -1.75 117.51 118.64 1i2r h ILE 304 Ca 0.06 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1i2r h ILE 304 Cb 0.90 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1i2r h ILE 304 CO 0.08 0.24 -0.26 0.44 0.00 0.00 0.00 178.15 178.64 1i2r h ASP 305 N 0.59 0.07 -0.27 1.72 3.32 -1.29 -0.52 116.42 120.04 1i2r h ASP 305 Ca 0.15 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1i2r h ASP 305 Cb 0.20 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1i2r h ASP 305 CO -0.01 0.34 0.08 -0.61 -1.72 0.00 0.00 179.24 177.32 1i2r h GLN 306 N 0.07 0.42 -0.77 3.56 5.75 -0.91 -1.90 115.11 121.33 1i2r h GLN 306 Ca 0.01 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1i2r h GLN 306 Cb 0.51 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1i2r h GLN 306 CO 0.04 0.49 0.31 0.93 -2.65 0.00 0.00 178.83 177.94 1i2r h GLU 307 N 0.27 1.14 -0.26 1.69 5.08 -0.73 -1.76 114.58 120.01 1i2r h GLU 307 Ca 0.09 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1i2r h GLU 307 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1i2r h GLU 307 CO -0.00 0.92 -0.09 0.87 -1.00 0.00 0.00 179.01 179.71 1i2r h LYS 308 N 1.11 0.41 -0.28 2.33 1.57 -0.88 -1.27 116.57 119.57 1i2r h LYS 308 Ca 0.26 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1i2r h LYS 308 Cb 0.20 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1i2r h LYS 308 CO -0.02 0.51 -0.39 1.25 -0.57 0.00 0.00 179.45 180.23 1i2r h LEU 309 N 0.39 0.83 -0.98 2.94 6.46 -0.80 -2.17 115.31 121.97 1i2r h LEU 309 Ca 0.08 -0.51 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 1i2r h LEU 309 Cb 0.40 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1i2r h LEU 309 CO 0.02 1.17 0.27 -0.33 -0.62 0.00 0.00 178.44 178.95 1i2r h GLU 310 N 0.51 1.00 0.32 1.25 5.08 -1.00 -0.27 114.58 121.46 1i2r h GLU 310 Ca 0.03 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1i2r h GLU 310 Cb 0.98 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1i2r h GLU 310 CO 0.09 0.82 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.51 1i2r h LYS 311 N 0.98 -0.46 -0.31 2.33 3.11 -1.12 0.35 116.57 121.45 1i2r h LYS 311 Ca 0.23 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.16 1i2r h LYS 311 Cb 0.19 0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.47 1i2r h LYS 311 CO -0.02 -0.31 -0.04 1.98 -2.81 0.00 0.00 179.45 178.25 1i2r h MET 312 N -0.48 0.04 -0.43 1.90 4.05 -1.01 -0.95 114.93 118.04 1i2r h MET 312 Ca -0.03 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1i2r h MET 312 Cb 0.40 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1i2r h MET 312 CO 0.04 0.02 0.07 0.82 0.23 0.00 0.00 176.91 178.10 1i2r h ILE 313 N 0.04 1.20 -0.86 1.77 1.08 -0.84 -2.83 117.51 117.07 1i2r h ILE 313 Ca 0.15 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 1i2r h ILE 313 Cb 0.22 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 1i2r h ILE 313 CO -0.29 0.27 0.55 1.23 -0.69 0.00 0.00 178.15 179.22 1i2r h GLY 314 N 0.88 1.25 0.43 5.37 0.00 0.11 -1.07 103.07 110.03 1i2r h GLY 314 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1i2r h GLY 314 CO 0.00 0.35 0.00 1.22 0.00 0.00 0.00 176.54 178.11 1i2r n ASP 315 N -4.56 0.00 -0.10 0.19 8.00 -0.84 -2.40 116.55 116.85 1i2r n ASP 315 Ca 0.11 -1.10 0.03 0.00 0.71 0.00 0.00 54.79 54.54 1i2r n ASP 315 Cb 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1i2r n ASP 315 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i2r n LEU 316 N -0.72 0.75 -0.54 0.64 4.77 -0.42 -5.11 117.00 116.37 1i2r n LEU 316 Ca 0.07 -0.69 0.14 0.00 -0.03 0.00 0.00 56.01 55.50 1i2r n LEU 316 Cb 0.03 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 1i2r n LEU 316 CO 0.05 0.16 0.84 0.18 -1.33 0.00 0.00 177.39 177.30