#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4r s SER 2 N 0.00 5.77 -0.02 4.31 0.01 -1.26 -4.89 113.70 117.61 1i4r s SER 2 Ca 0.00 2.43 -0.25 0.00 1.31 0.00 0.00 55.95 59.44 1i4r s SER 2 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1i4r s SER 2 CO 0.00 -1.20 0.78 -1.58 0.41 0.00 0.00 173.24 171.65 1i4r s GLN 3 N -2.88 4.48 0.64 12.44 0.74 -0.71 -4.94 119.66 129.44 1i4r s GLN 3 Ca 0.68 1.04 -0.17 0.00 0.05 0.00 0.00 55.36 56.97 1i4r s GLN 3 Cb -0.32 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 1i4r s GLN 3 CO 0.37 0.10 1.16 -1.25 -0.55 0.00 0.00 175.29 175.12 1i4r s PRO 4 N 0.63 2.76 1.07 1.67 0.04 -1.26 -4.64 135.00 135.27 1i4r s PRO 4 Ca 0.41 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 1i4r s PRO 4 Cb -0.19 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.63 1i4r s PRO 4 CO 0.21 -1.32 0.88 -0.25 0.04 0.00 0.00 177.00 176.56 1i4r n ASP 5 N -2.12 -1.22 -4.75 6.66 10.43 -1.26 -4.91 116.55 119.38 1i4r n ASP 5 Ca 0.12 0.06 -0.41 0.00 2.57 0.00 0.00 54.79 57.13 1i4r n ASP 5 Cb 0.51 -1.29 -0.02 0.00 1.84 0.00 0.00 41.12 42.16 1i4r n ASP 5 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 1i4r s PRO 6 N -4.29 4.27 0.41 -0.24 0.02 -1.26 -5.00 135.00 128.91 1i4r s PRO 6 Ca 0.66 2.32 -0.19 0.00 0.02 0.00 0.00 61.00 63.80 1i4r s PRO 6 Cb -0.23 -3.08 -0.10 0.00 0.02 0.00 0.00 34.50 31.11 1i4r s PRO 6 CO 0.63 -0.39 0.91 0.95 -0.33 0.00 0.00 177.00 178.77 1i4r s THR 7 N -0.38 4.47 0.37 0.99 -4.23 -1.26 -4.96 115.64 110.64 1i4r s THR 7 Ca 0.56 1.35 0.12 0.00 -1.18 0.00 0.00 61.69 62.54 1i4r s THR 7 Cb -0.42 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.15 1i4r s THR 7 CO 0.48 -0.32 1.84 1.55 -0.54 0.00 0.00 174.62 177.62 1i4r h PRO 8 N 1.89 0.57 0.00 3.99 0.13 -2.00 -2.78 132.00 133.80 1i4r h PRO 8 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1i4r h PRO 8 Cb 1.18 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1i4r h PRO 8 CO 0.62 0.38 -0.09 0.38 -0.23 0.00 0.00 178.00 179.05 1i4r h ASP 9 N 0.58 0.00 1.37 1.44 2.03 -2.04 -3.35 116.42 116.46 1i4r h ASP 9 Ca 0.49 -0.01 -0.11 0.00 -0.73 0.00 0.00 57.03 56.68 1i4r h ASP 9 Cb 0.97 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.46 1i4r h ASP 9 CO -0.24 0.00 -0.65 1.05 -1.03 0.00 0.00 179.24 178.38 1i4r h GLU 10 N 0.00 0.00 -6.76 4.15 4.11 -1.89 -3.47 114.58 110.73 1i4r h GLU 10 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1i4r h GLU 10 Cb 0.93 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.25 1i4r h GLU 10 CO 0.00 0.42 0.87 -0.51 0.07 0.00 0.00 179.01 179.87 1i4r s LEU 11 N -6.29 4.36 0.25 3.06 1.43 -1.25 -4.94 118.68 115.29 1i4r s LEU 11 Ca 0.03 2.86 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 1i4r s LEU 11 Cb 0.08 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.57 1i4r s LEU 11 CO 0.75 -0.87 1.48 -1.00 0.23 0.00 0.00 176.35 176.94 1i4r s HIS 12 N 0.21 2.99 -0.19 0.29 3.76 -1.26 -5.00 115.29 116.08 1i4r s HIS 12 Ca 0.64 0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 56.43 1i4r s HIS 12 Cb -0.46 -3.87 -0.04 0.00 1.11 0.00 0.00 32.58 29.32 1i4r s HIS 12 CO 0.44 -2.88 0.06 0.15 -0.85 0.00 0.00 174.74 171.66 1i4r s LYS 13 N -0.22 3.93 0.48 1.40 1.02 -1.26 -4.50 119.74 120.58 1i4r s LYS 13 Ca 0.61 -0.37 0.23 0.00 0.02 0.00 0.00 55.97 56.46 1i4r s LYS 13 Cb -0.43 -3.23 1.20 0.00 -0.52 0.00 0.00 37.83 34.85 1i4r s LYS 13 CO 0.43 0.20 1.99 0.66 -0.92 0.00 0.00 175.35 177.71 1i4r h SER 14 N 6.93 0.00 0.63 2.83 4.64 -1.25 -1.10 113.55 126.24 1i4r h SER 14 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1i4r h SER 14 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1i4r h SER 14 CO 0.68 0.18 0.00 0.77 -0.87 0.00 0.00 176.83 177.59 1i4r h SER 15 N 0.00 0.00 -0.45 4.97 4.64 -1.88 -1.25 113.55 119.58 1i4r h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4r h SER 15 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1i4r h SER 15 CO 0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 1i4r n GLU 16 N -2.48 2.51 -3.74 4.77 1.02 -0.42 -4.86 120.64 117.44 1i4r n GLU 16 Ca 0.01 -2.32 -0.37 0.00 -0.02 0.00 0.00 57.16 54.46 1i4r n GLU 16 Cb 0.21 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.00 1i4r n GLU 16 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1i4r s PHE 17 N -1.33 3.13 -1.99 -0.32 5.36 -0.47 -2.23 117.98 120.12 1i4r s PHE 17 Ca 0.39 -0.74 0.23 0.00 -0.96 0.00 0.00 56.93 55.85 1i4r s PHE 17 Cb 0.22 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.67 1i4r s PHE 17 CO 0.30 -0.49 1.12 2.41 -1.46 0.00 0.00 175.22 177.10 1i4r n THR 18 N 4.91 0.00 -0.49 0.12 -1.04 0.34 -4.94 114.28 113.17 1i4r n THR 18 Ca -0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1i4r n THR 18 Cb 0.49 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 70.20 1i4r n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i4r n GLY 19 N 1.42 -1.05 3.53 3.41 0.00 -1.21 -4.80 105.19 106.49 1i4r n GLY 19 Ca 0.09 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1i4r n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4r s THR 20 N -0.51 4.77 0.55 2.61 2.01 -1.26 -4.92 115.64 118.89 1i4r s THR 20 Ca 0.00 0.25 0.36 0.00 0.31 0.00 0.00 61.69 62.61 1i4r s THR 20 Cb 0.00 -4.24 0.39 0.00 0.01 0.00 0.00 72.50 68.66 1i4r s THR 20 CO 0.00 -0.62 2.25 -0.03 -0.69 0.00 0.00 174.62 175.52 1i4r h MET 21 N 8.89 0.00 0.00 4.92 4.05 -1.23 -1.53 114.93 130.03 1i4r h MET 21 Ca -0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1i4r h MET 21 Cb 1.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1i4r h MET 21 CO 0.91 0.02 0.00 0.78 0.23 0.00 0.00 176.91 178.86 1i4r h GLY 22 N 0.34 0.00 2.00 1.39 0.00 -0.49 -0.06 103.07 106.26 1i4r h GLY 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i4r h GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 1i4r h ASN 23 N 0.00 0.00 0.13 0.19 4.21 -1.56 -1.62 115.58 116.93 1i4r h ASN 23 Ca 0.00 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.17 1i4r h ASN 23 Cb 0.08 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1i4r h ASN 23 CO 0.00 0.00 -1.84 -0.03 -1.29 0.00 0.00 177.43 174.27 1i4r h MET 24 N 0.00 0.27 -0.87 0.81 1.85 -1.20 -3.36 114.93 112.43 1i4r h MET 24 Ca 0.00 -0.47 0.06 0.00 -0.61 0.00 0.00 59.70 58.68 1i4r h MET 24 Cb 0.84 0.17 -0.06 0.00 0.43 0.00 0.00 31.60 32.99 1i4r h MET 24 CO 0.00 1.22 0.55 -0.22 -0.40 0.00 0.00 176.91 178.06 1i4r h LYS 25 N -0.04 0.98 -0.78 0.39 3.64 -1.31 -2.05 116.57 117.40 1i4r h LYS 25 Ca -0.39 -0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.06 1i4r h LYS 25 Cb 1.97 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 33.51 1i4r h LYS 25 CO 0.08 0.65 0.51 -0.92 -2.27 0.00 0.00 179.45 177.50 1i4r h TYR 26 N 1.01 0.63 0.00 1.91 3.20 -1.44 -0.01 116.97 122.27 1i4r h TYR 26 Ca 0.37 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1i4r h TYR 26 Cb 0.13 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1i4r h TYR 26 CO -0.03 0.26 0.00 -0.07 -1.64 0.00 0.00 178.16 176.68 1i4r h LEU 27 N 0.55 0.00 -0.27 2.82 3.38 -1.51 -3.32 115.31 116.95 1i4r h LEU 27 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1i4r h LEU 27 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1i4r h LEU 27 CO -0.14 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.17 1i4r n TYR 28 N -2.74 0.00 -2.73 1.13 4.02 -0.70 -4.71 117.16 111.43 1i4r n TYR 28 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1i4r n TYR 28 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 1i4r n TYR 28 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1i4r s ASP 29 N -0.49 6.30 -1.40 7.72 3.68 -0.10 -3.92 116.67 128.47 1i4r s ASP 29 Ca 0.00 -1.10 -0.09 0.00 2.13 0.00 0.00 52.55 53.50 1i4r s ASP 29 Cb 0.00 -2.48 0.01 0.00 -1.45 0.00 0.00 42.92 39.00 1i4r s ASP 29 CO 0.00 -1.50 0.34 -0.67 0.13 0.00 0.00 175.17 173.46 1i4r n ASP 30 N 8.20 -1.01 -3.74 -0.34 4.64 -1.26 -4.93 116.55 118.11 1i4r n ASP 30 Ca 0.09 -1.18 -0.22 0.00 -1.38 0.00 0.00 54.79 52.10 1i4r n ASP 30 Cb 0.48 -2.23 -0.18 0.00 -1.04 0.00 0.00 41.12 38.15 1i4r n ASP 30 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 1i4r s HIS 31 N -4.00 0.53 -0.30 -0.67 2.46 -1.26 -5.13 115.29 106.92 1i4r s HIS 31 Ca 0.14 -0.10 -0.29 0.00 0.47 0.00 0.00 55.06 55.28 1i4r s HIS 31 Cb -0.07 -0.73 0.20 0.00 -0.13 0.00 0.00 32.58 31.85 1i4r s HIS 31 CO 0.95 -0.31 1.39 1.52 -2.47 0.00 0.00 174.74 175.82 1i4r s TYR 32 N 2.02 -0.01 -0.09 3.88 1.13 -1.26 -4.64 117.35 118.38 1i4r s TYR 32 Ca 0.05 0.01 -0.13 0.00 -1.41 0.00 0.00 57.07 55.59 1i4r s TYR 32 Cb -0.12 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 1i4r s TYR 32 CO -0.05 -0.01 0.32 0.08 -2.51 0.00 0.00 175.55 173.38 1i4r s VAL 33 N -0.99 5.23 0.01 -3.49 1.01 0.83 -4.95 120.40 118.07 1i4r s VAL 33 Ca 0.10 0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1i4r s VAL 33 Cb -0.01 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1i4r s VAL 33 CO -0.09 0.50 -0.08 -0.44 0.00 0.00 0.00 175.10 174.99 1i4r s SER 34 N -0.39 0.91 -0.19 3.32 0.01 -1.26 -2.40 113.70 113.71 1i4r s SER 34 Ca 0.19 -0.29 -0.28 0.00 1.31 0.00 0.00 55.95 56.88 1i4r s SER 34 Cb -0.14 -0.05 0.11 0.00 0.21 0.00 0.00 66.02 66.15 1i4r s SER 34 CO 0.08 -0.01 0.95 0.00 0.41 0.00 0.00 173.24 174.67 1i4r s ALA 35 N -0.60 -1.91 -0.03 1.44 0.00 -0.86 -4.92 121.76 114.87 1i4r s ALA 35 Ca -0.01 1.66 0.04 0.00 0.00 0.00 0.00 51.96 53.65 1i4r s ALA 35 Cb -0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1i4r s ALA 35 CO 0.00 -0.30 -0.14 -0.08 0.00 0.00 0.00 175.76 175.25 1i4r s THR 36 N -0.65 1.14 -1.19 0.00 -1.32 -1.26 -0.30 115.64 112.06 1i4r s THR 36 Ca -0.02 -0.58 -0.03 0.00 -1.21 0.00 0.00 61.69 59.86 1i4r s THR 36 Cb -0.02 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1i4r s THR 36 CO 0.00 0.33 0.88 0.29 -2.21 0.00 0.00 174.62 173.92 1i4r n LYS 37 N 3.02 -4.83 -4.22 7.08 5.02 -0.55 -4.96 118.16 118.73 1i4r n LYS 37 Ca -0.17 0.76 -0.23 0.00 -2.02 0.00 0.00 58.31 56.65 1i4r n LYS 37 Cb 0.54 -5.55 -0.07 0.00 -0.02 0.00 0.00 35.03 29.94 1i4r n LYS 37 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1i4r s VAL 38 N -3.46 3.23 -0.02 -0.18 -7.23 -0.18 -4.81 120.40 107.74 1i4r s VAL 38 Ca 0.13 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1i4r s VAL 38 Cb -0.02 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 34.01 1i4r s VAL 38 CO 0.76 -0.28 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.89 1i4r s MET 39 N -3.75 0.70 0.50 4.82 1.75 -1.26 -1.01 119.30 121.04 1i4r s MET 39 Ca 0.34 -0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.36 1i4r s MET 39 Cb -0.04 -0.68 -0.08 0.00 2.84 0.00 0.00 34.83 36.87 1i4r s MET 39 CO 0.21 0.06 1.04 -1.13 -0.65 0.00 0.00 175.02 174.55 1i4r n SER 40 N 3.35 1.28 0.00 1.11 3.41 -1.24 -4.73 113.62 116.81 1i4r n SER 40 Ca -0.18 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1i4r n SER 40 Cb 0.55 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1i4r n SER 40 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1i4r n VAL 41 N -0.99 0.00 -3.77 -3.33 0.24 -0.26 -4.93 118.33 105.29 1i4r n VAL 41 Ca 0.11 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.34 61.89 1i4r n VAL 41 Cb 0.43 1.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1i4r n VAL 41 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1i4r s ASP 42 N -0.59 -0.09 0.07 -1.34 2.15 -1.21 -5.02 116.67 110.64 1i4r s ASP 42 Ca 0.00 -0.40 -0.04 0.00 0.43 0.00 0.00 52.55 52.54 1i4r s ASP 42 Cb 0.00 0.39 -0.02 0.00 -0.30 0.00 0.00 42.92 42.99 1i4r s ASP 42 CO 0.00 -0.74 0.07 -0.54 -0.17 0.00 0.00 175.17 173.79 1i4r s LYS 43 N -2.69 0.73 0.00 4.34 1.02 -1.26 -0.89 119.74 120.99 1i4r s LYS 43 Ca 0.16 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1i4r s LYS 43 Cb -0.00 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.58 1i4r s LYS 43 CO 0.01 -0.19 0.00 0.34 -0.92 0.00 0.00 175.35 174.60 1i4r n PHE 44 N 0.02 0.00 -2.54 3.18 -0.00 -1.26 -4.98 117.46 111.88 1i4r n PHE 44 Ca -0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.08 1i4r n PHE 44 Cb 0.62 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 40.14 1i4r n PHE 44 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1i4r s LEU 45 N -2.90 3.19 0.51 -2.13 1.43 -1.26 -5.00 118.68 112.52 1i4r s LEU 45 Ca 0.00 0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.52 1i4r s LEU 45 Cb 0.00 -3.04 1.31 0.00 0.03 0.00 0.00 46.19 44.49 1i4r s LEU 45 CO 0.00 -1.20 2.12 0.00 0.23 0.00 0.00 176.35 177.50 1i4r h ALA 46 N -0.10 1.78 -0.72 4.21 0.00 -1.99 -3.01 119.26 119.43 1i4r h ALA 46 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1i4r h ALA 46 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1i4r h ALA 46 CO 0.56 0.07 0.00 -2.39 0.00 0.00 0.00 179.25 177.49 1i4r n HIS 47 N -4.29 1.05 -4.51 0.00 1.44 -1.26 -4.59 115.22 103.06 1i4r n HIS 47 Ca -0.03 -0.52 -0.26 0.00 -2.01 0.00 0.00 57.72 54.91 1i4r n HIS 47 Cb 0.14 -0.03 -0.10 0.00 0.12 0.00 0.00 29.99 30.12 1i4r n HIS 47 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1i4r s ASP 48 N -0.99 3.79 -0.01 4.39 3.84 -1.14 -0.86 116.67 125.69 1i4r s ASP 48 Ca 0.49 -1.15 0.02 0.00 -0.00 0.00 0.00 52.55 51.91 1i4r s ASP 48 Cb 0.26 -0.37 -0.00 0.00 -1.38 0.00 0.00 42.92 41.43 1i4r s ASP 48 CO 0.32 -0.19 -0.07 -0.76 -0.00 0.00 0.00 175.17 174.47 1i4r s LEU 49 N -3.62 1.91 -0.08 2.11 1.43 -0.48 -4.52 118.68 115.43 1i4r s LEU 49 Ca 0.33 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1i4r s LEU 49 Cb 0.01 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1i4r s LEU 49 CO 0.17 0.07 -0.07 -0.63 0.23 0.00 0.00 176.35 176.12 1i4r s ILE 50 N -0.00 3.69 0.10 -0.59 1.01 -0.07 -0.61 121.20 124.73 1i4r s ILE 50 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1i4r s ILE 50 Cb -0.05 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 1i4r s ILE 50 CO -0.00 0.58 -0.14 -0.31 0.00 0.00 0.00 174.94 175.07 1i4r s TYR 51 N -0.62 1.34 -0.75 3.97 2.02 0.81 -1.11 117.35 123.01 1i4r s TYR 51 Ca 0.09 -0.52 -0.21 0.00 -0.37 0.00 0.00 57.07 56.07 1i4r s TYR 51 Cb -0.12 -0.72 0.10 0.00 -0.40 0.00 0.00 41.96 40.82 1i4r s TYR 51 CO 0.02 0.11 0.99 -0.80 -1.57 0.00 0.00 175.55 174.30 1i4r s ASN 52 N -2.15 6.34 -0.10 2.29 0.01 -1.26 -0.85 114.94 119.21 1i4r s ASN 52 Ca 0.04 -1.42 -0.00 0.00 -0.71 0.00 0.00 52.86 50.77 1i4r s ASN 52 Cb -0.07 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.22 1i4r s ASN 52 CO 0.03 -1.27 -0.07 -0.63 -1.51 0.00 0.00 177.10 173.65 1i4r s ILE 53 N 3.42 0.92 0.11 0.60 1.01 -0.99 -4.97 121.20 121.30 1i4r s ILE 53 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1i4r s ILE 53 Cb -0.13 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.33 1i4r s ILE 53 CO 0.03 0.35 0.39 -0.44 0.00 0.00 0.00 174.94 175.26 1i4r s SER 54 N 1.65 6.56 -0.66 3.58 0.01 -1.26 -3.18 113.70 120.39 1i4r s SER 54 Ca 0.03 0.68 -0.26 0.00 1.31 0.00 0.00 55.95 57.71 1i4r s SER 54 Cb -0.13 -2.13 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1i4r s SER 54 CO -0.07 0.11 1.15 -0.62 0.41 0.00 0.00 173.24 174.22 1i4r s ASP 55 N -2.11 6.26 0.12 2.44 2.15 0.32 -4.91 116.67 120.93 1i4r s ASP 55 Ca 0.37 -0.40 -0.21 0.00 0.43 0.00 0.00 52.55 52.75 1i4r s ASP 55 Cb -0.13 -2.51 -0.06 0.00 -0.30 0.00 0.00 42.92 39.92 1i4r s ASP 55 CO 0.21 -1.59 1.72 0.07 -0.17 0.00 0.00 175.17 175.41 1i4r h LYS 56 N 9.73 0.02 0.00 4.34 -0.00 -1.96 -2.70 116.57 125.99 1i4r h LYS 56 Ca -0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.38 1i4r h LYS 56 Cb 1.06 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.28 1i4r h LYS 56 CO 1.21 0.01 0.00 1.63 -0.00 0.00 0.00 179.45 182.30 1i4r n LYS 57 N -5.16 0.00 0.00 0.07 4.76 -1.26 -4.44 118.16 112.13 1i4r n LYS 57 Ca -0.03 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.48 1i4r n LYS 57 Cb 0.10 -0.18 0.39 0.00 -1.84 0.00 0.00 35.03 33.50 1i4r n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1i4r n LEU 58 N 0.00 0.00 -3.64 -0.35 4.32 -1.26 -4.90 117.00 111.17 1i4r n LEU 58 Ca 0.00 0.31 -0.23 0.00 -0.02 0.00 0.00 56.01 56.06 1i4r n LEU 58 Cb 0.00 -0.31 0.06 0.00 -1.62 0.00 0.00 43.42 41.56 1i4r n LEU 58 CO 0.00 -0.15 0.14 1.17 -1.22 0.00 0.00 177.39 177.33 1i4r n LYS 59 N -1.31 -6.66 0.00 3.23 3.00 -1.02 -4.92 118.16 110.49 1i4r n LYS 59 Ca 0.07 0.75 0.12 0.00 -0.00 0.00 0.00 58.31 59.26 1i4r n LYS 59 Cb 0.13 -5.69 0.20 0.00 0.00 0.00 0.00 35.03 29.67 1i4r n LYS 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1i4r n ASN 60 N -3.02 1.53 -3.48 3.14 3.02 -1.26 -4.94 115.26 110.25 1i4r n ASN 60 Ca -0.11 -1.21 -0.11 0.00 -0.03 0.00 0.00 54.58 53.12 1i4r n ASN 60 Cb 0.60 0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 1i4r n ASN 60 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1i4r s TYR 61 N -2.47 -0.45 0.00 3.10 -0.85 -1.26 -4.25 117.35 111.17 1i4r s TYR 61 Ca 0.22 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.16 1i4r s TYR 61 Cb 0.19 0.52 0.00 0.00 0.38 0.00 0.00 41.96 43.05 1i4r s TYR 61 CO 0.54 -0.63 0.25 -0.40 -1.52 0.00 0.00 175.55 173.79 1i4r n ASP 62 N -0.08 0.24 -3.81 -0.18 5.75 -0.56 -0.52 116.55 117.39 1i4r n ASP 62 Ca -0.13 -1.06 -0.17 0.00 -0.01 0.00 0.00 54.79 53.43 1i4r n ASP 62 Cb 0.62 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.55 1i4r n ASP 62 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1i4r s LYS 63 N -0.06 0.25 -0.10 0.11 1.02 -1.18 -2.35 119.74 117.42 1i4r s LYS 63 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.10 1i4r s LYS 63 Cb 0.00 -0.43 0.01 0.00 -0.52 0.00 0.00 37.83 36.89 1i4r s LYS 63 CO 0.00 -0.13 -0.16 0.08 -0.92 0.00 0.00 175.35 174.22 1i4r s VAL 64 N 0.98 1.49 -0.23 3.17 1.01 -0.03 -1.91 120.40 124.89 1i4r s VAL 64 Ca -0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1i4r s VAL 64 Cb -0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1i4r s VAL 64 CO -0.02 0.44 -0.00 -0.75 0.00 0.00 0.00 175.10 174.77 1i4r s LYS 65 N 0.83 3.49 -0.15 2.72 2.20 -0.81 -0.13 119.74 127.90 1i4r s LYS 65 Ca -0.10 -0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1i4r s LYS 65 Cb -0.15 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1i4r s LYS 65 CO 0.01 -0.18 -0.07 -0.08 -0.36 0.00 0.00 175.35 174.67 1i4r s THR 66 N 1.49 3.51 -0.03 3.43 -1.32 0.22 -1.48 115.64 121.47 1i4r s THR 66 Ca 0.06 -0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 1i4r s THR 66 Cb -0.15 -2.52 -0.05 0.00 -1.51 0.00 0.00 72.50 68.27 1i4r s THR 66 CO -0.00 0.50 0.30 -1.61 -2.21 0.00 0.00 174.62 171.60 1i4r s GLU 67 N 0.46 3.70 0.35 7.08 2.02 -0.41 -1.38 118.70 130.52 1i4r s GLU 67 Ca -0.06 0.15 0.09 0.00 0.02 0.00 0.00 54.97 55.16 1i4r s GLU 67 Cb -0.15 -3.16 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 1i4r s GLU 67 CO 0.04 0.70 0.04 -0.51 0.02 0.00 0.00 175.26 175.54 1i4r s LEU 68 N -1.27 3.01 0.29 1.80 1.43 -0.04 -1.58 118.68 122.32 1i4r s LEU 68 Ca 0.23 -1.00 0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1i4r s LEU 68 Cb -0.14 -1.37 0.62 0.00 0.03 0.00 0.00 46.19 45.33 1i4r s LEU 68 CO 0.12 -0.29 1.82 0.25 0.23 0.00 0.00 176.35 178.48 1i4r h LEU 69 N 1.74 0.88 -8.24 1.79 5.85 -0.93 -3.45 115.31 112.95 1i4r h LEU 69 Ca -0.43 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 1i4r h LEU 69 Cb 1.25 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1i4r h LEU 69 CO 0.68 0.43 0.07 0.54 -0.34 0.00 0.00 178.44 179.82 1i4r s ASN 70 N -5.62 0.44 0.37 1.25 2.20 -1.26 -5.05 114.94 107.27 1i4r s ASN 70 Ca -0.12 -1.32 0.10 0.00 -0.94 0.00 0.00 52.86 50.58 1i4r s ASN 70 Cb 0.23 0.78 0.72 0.00 -2.00 0.00 0.00 41.25 40.98 1i4r s ASN 70 CO 0.81 -1.53 1.86 -0.33 -2.94 0.00 0.00 177.10 174.97 1i4r h GLU 71 N 2.04 0.18 -0.23 3.55 4.39 -1.89 -3.04 114.58 119.57 1i4r h GLU 71 Ca -0.31 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.33 1i4r h GLU 71 Cb 1.25 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1i4r h GLU 71 CO 0.40 0.41 0.09 -0.44 -1.16 0.00 0.00 179.01 178.31 1i4r h ASP 72 N 0.16 0.32 -0.75 1.42 3.32 -1.97 -1.62 116.42 117.31 1i4r h ASP 72 Ca 0.03 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1i4r h ASP 72 Cb 0.51 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1i4r h ASP 72 CO 0.04 0.40 0.39 -0.07 -1.72 0.00 0.00 179.24 178.27 1i4r h LEU 73 N 0.22 0.96 -0.29 1.55 3.38 -1.95 -1.65 115.31 117.53 1i4r h LEU 73 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i4r h LEU 73 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1i4r h LEU 73 CO -0.01 0.80 0.19 0.00 0.09 0.00 0.00 178.44 179.51 1i4r h ALA 74 N 1.20 0.36 -0.49 1.53 0.00 -1.39 -2.62 119.26 117.84 1i4r h ALA 74 Ca 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1i4r h ALA 74 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i4r h ALA 74 CO -0.04 -0.16 0.05 -0.22 0.00 0.00 0.00 179.25 178.88 1i4r h LYS 75 N 0.38 0.79 -0.81 0.00 1.63 -1.15 -1.01 116.57 116.40 1i4r h LYS 75 Ca 0.10 -0.19 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1i4r h LYS 75 Cb -0.03 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 1i4r h LYS 75 CO -0.02 0.76 0.51 -0.22 -3.45 0.00 0.00 179.45 177.03 1i4r h LYS 76 N 0.75 0.97 0.00 1.90 3.64 -0.94 -3.16 116.57 119.72 1i4r h LYS 76 Ca 0.15 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1i4r h LYS 76 Cb 0.38 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1i4r h LYS 76 CO 0.01 0.64 -1.17 0.66 -2.27 0.00 0.00 179.45 177.33 1i4r n TYR 77 N -4.59 0.11 -0.36 1.91 4.02 -1.06 -4.62 117.16 112.57 1i4r n TYR 77 Ca 0.10 0.03 -0.02 0.00 -0.01 0.00 0.00 57.90 58.00 1i4r n TYR 77 Cb 0.09 -0.28 0.02 0.00 -0.02 0.00 0.00 39.34 39.15 1i4r n TYR 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1i4r n LYS 78 N -1.82 -0.24 -0.60 -0.72 4.81 -0.40 -1.00 118.16 118.19 1i4r n LYS 78 Ca 0.02 1.40 0.09 0.00 -0.87 0.00 0.00 58.31 58.95 1i4r n LYS 78 Cb 0.42 -2.08 0.34 0.00 0.02 0.00 0.00 35.03 33.73 1i4r n LYS 78 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i4r n ASP 79 N -5.32 4.69 -4.85 3.14 8.00 -1.26 -3.60 116.55 117.35 1i4r n ASP 79 Ca 0.08 -2.51 -0.35 0.00 0.71 0.00 0.00 54.79 52.73 1i4r n ASP 79 Cb 0.35 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1i4r n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1i4r s GLU 80 N -1.96 3.95 -0.39 -1.24 0.41 -0.17 -5.02 118.70 114.28 1i4r s GLU 80 Ca 0.49 0.45 -0.25 0.00 -0.41 0.00 0.00 54.97 55.25 1i4r s GLU 80 Cb 0.33 -2.88 0.02 0.00 -1.78 0.00 0.00 34.13 29.82 1i4r s GLU 80 CO 0.22 0.45 0.90 0.08 -0.49 0.00 0.00 175.26 176.42 1i4r s VAL 81 N -1.53 4.59 0.34 2.63 1.01 -1.26 -4.44 120.40 121.73 1i4r s VAL 81 Ca 0.40 1.02 0.05 0.00 0.00 0.00 0.00 61.98 63.44 1i4r s VAL 81 Cb -0.14 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.84 1i4r s VAL 81 CO 0.19 -0.59 0.03 0.68 0.00 0.00 0.00 175.10 175.42 1i4r s VAL 82 N 3.47 1.43 0.12 2.92 -7.23 -0.18 -1.91 120.40 119.01 1i4r s VAL 82 Ca 0.36 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 1i4r s VAL 82 Cb -0.12 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1i4r s VAL 82 CO 0.20 -0.03 -0.06 -1.81 -0.31 0.00 0.00 175.10 173.09 1i4r s ASP 83 N -3.53 4.60 0.01 4.85 1.01 0.54 -1.01 116.67 123.13 1i4r s ASP 83 Ca 0.35 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 53.32 1i4r s ASP 83 Cb 0.09 -0.95 -0.02 0.00 1.01 0.00 0.00 42.92 43.05 1i4r s ASP 83 CO 0.16 0.15 -0.17 -0.69 0.21 0.00 0.00 175.17 174.83 1i4r s VAL 84 N -1.37 1.36 -0.27 -1.27 1.01 0.59 -2.09 120.40 118.36 1i4r s VAL 84 Ca 0.24 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1i4r s VAL 84 Cb -0.11 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.24 1i4r s VAL 84 CO 0.16 0.29 0.59 -0.47 0.00 0.00 0.00 175.10 175.67 1i4r s TYR 85 N -0.54 -1.22 0.04 5.22 5.04 -0.33 -2.04 117.35 123.52 1i4r s TYR 85 Ca 0.06 2.09 -0.28 0.00 -2.44 0.00 0.00 57.07 56.50 1i4r s TYR 85 Cb -0.07 0.67 0.10 0.00 0.35 0.00 0.00 41.96 43.01 1i4r s TYR 85 CO 0.00 -0.63 1.20 0.20 -1.34 0.00 0.00 175.55 174.98 1i4r s GLY 86 N 2.82 -0.26 -0.23 8.97 0.00 -1.01 -4.34 107.32 113.27 1i4r s GLY 86 Ca -0.03 0.34 -0.16 0.00 0.00 0.00 0.00 44.72 44.87 1i4r s GLY 86 CO -0.18 1.48 0.41 -0.45 0.00 0.00 0.00 173.10 174.36 1i4r s SER 87 N -3.19 6.38 0.26 1.64 0.15 -1.26 -0.12 113.70 117.56 1i4r s SER 87 Ca 0.18 0.45 0.05 0.00 0.70 0.00 0.00 55.95 57.33 1i4r s SER 87 Cb 0.02 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1i4r s SER 87 CO -0.01 -0.14 0.38 0.54 1.20 0.00 0.00 173.24 175.21 1i4r s ASN 88 N 1.29 6.22 0.08 5.45 4.22 -1.26 -4.53 114.94 126.42 1i4r s ASN 88 Ca 0.18 0.00 -0.02 0.00 -2.14 0.00 0.00 52.86 50.88 1i4r s ASN 88 Cb -0.15 -1.70 -0.04 0.00 1.28 0.00 0.00 41.25 40.65 1i4r s ASN 88 CO 0.09 -0.16 0.02 -0.72 -2.04 0.00 0.00 177.10 174.29 1i4r s TYR 89 N -2.03 0.56 -0.02 1.54 -0.85 0.14 -4.94 117.35 111.75 1i4r s TYR 89 Ca 0.37 -1.05 0.01 0.00 -0.52 0.00 0.00 57.07 55.87 1i4r s TYR 89 Cb -0.09 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.87 1i4r s TYR 89 CO 0.29 -0.44 -0.01 0.66 -1.52 0.00 0.00 175.55 174.54 1i4r n TYR 90 N 0.03 0.00 -1.83 -3.49 4.02 -1.26 -2.01 117.16 112.62 1i4r n TYR 90 Ca -0.12 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 1i4r n TYR 90 Cb 0.62 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.85 1i4r n TYR 90 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1i4r s VAL 91 N -2.03 3.28 -0.94 -0.72 1.01 -1.26 -2.13 120.40 117.61 1i4r s VAL 91 Ca -0.02 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1i4r s VAL 91 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1i4r s VAL 91 CO 0.04 -0.03 0.81 0.59 0.00 0.00 0.00 175.10 176.52 1i4r n ASN 92 N 7.37 -4.49 -4.17 3.32 3.02 -1.26 -4.67 115.26 114.38 1i4r n ASN 92 Ca 0.19 -0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 53.98 1i4r n ASN 92 Cb 0.42 -3.73 -0.12 0.00 -0.61 0.00 0.00 39.78 35.74 1i4r n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i4r s TYR 94 N 1.24 1.48 0.00 0.00 -0.85 -1.26 -4.97 117.35 112.99 1i4r s TYR 94 Ca 0.02 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 1i4r s TYR 94 Cb -0.21 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.29 1i4r s TYR 94 CO -0.02 0.11 0.00 1.19 -1.52 0.00 0.00 175.55 175.31 1i4r n PHE 95 N 1.42 0.00 -2.05 -3.49 3.01 -1.26 -5.07 117.46 110.01 1i4r n PHE 95 Ca -0.19 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.26 1i4r n PHE 95 Cb 0.54 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1i4r n PHE 95 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1i4r n SER 96 N 0.00 -6.84 0.06 4.37 7.64 -1.26 -4.89 113.62 112.70 1i4r n SER 96 Ca 0.00 1.36 0.13 0.00 1.01 0.00 0.00 58.87 61.36 1i4r n SER 96 Cb 0.00 -4.17 0.34 0.00 -1.01 0.00 0.00 64.21 59.37 1i4r n SER 96 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i4r n SER 97 N 1.36 0.59 0.00 6.43 7.64 -1.26 -4.56 113.62 123.82 1i4r n SER 97 Ca -0.04 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1i4r n SER 97 Cb 0.06 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1i4r n SER 97 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i4r n LYS 98 N -1.98 0.00 0.00 1.43 0.00 -1.26 -4.91 118.16 111.44 1i4r n LYS 98 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1i4r n LYS 98 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.44 1i4r n LYS 98 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1i4r n ASP 99 N -1.92 0.00 0.00 3.14 4.64 -1.26 -5.23 116.55 115.91 1i4r n ASP 99 Ca 0.00 -0.70 0.00 0.00 -1.38 0.00 0.00 54.79 52.71 1i4r n ASP 99 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1i4r n ASP 99 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1i4r n ASN 100 N 0.00 0.00 -1.75 1.67 4.05 -1.26 -4.79 115.26 113.18 1i4r n ASN 100 Ca 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.02 1i4r n ASN 100 Cb 0.26 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.26 1i4r n ASN 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1i4r n GLY 106 N 0.00 -3.27 3.81 8.20 0.00 -1.26 -4.93 105.19 107.74 1i4r n GLY 106 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1i4r n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i4r s GLY 107 N -0.27 1.59 0.07 -0.02 0.00 -1.26 -4.82 107.32 102.62 1i4r s GLY 107 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1i4r s GLY 107 CO 0.17 0.05 -0.11 0.54 0.00 0.00 0.00 173.10 173.76 1i4r s LYS 108 N -5.29 0.75 0.06 2.90 1.02 -1.26 -1.50 119.74 116.42 1i4r s LYS 108 Ca 0.63 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 1i4r s LYS 108 Cb -0.14 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1i4r s LYS 108 CO 0.53 0.10 0.16 -0.08 -0.92 0.00 0.00 175.35 175.14 1i4r s THR 109 N -1.79 0.14 0.25 2.17 -1.32 -0.80 -4.93 115.64 109.36 1i4r s THR 109 Ca -0.01 -1.15 0.12 0.00 -1.21 0.00 0.00 61.69 59.43 1i4r s THR 109 Cb -0.07 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.70 1i4r s THR 109 CO 0.01 -0.64 -0.21 0.00 -2.21 0.00 0.00 174.62 171.57 1i4r n MET 111 N -0.35 1.09 -4.40 0.00 0.00 -0.55 -0.69 117.12 112.22 1i4r n MET 111 Ca -0.07 -2.14 -0.21 0.00 0.00 0.00 0.00 57.70 55.29 1i4r n MET 111 Cb 0.59 2.67 -0.14 0.00 0.00 0.00 0.00 33.22 36.35 1i4r n MET 111 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1i4r s TYR 112 N -2.32 1.25 0.00 3.17 2.02 -1.26 -1.28 117.35 118.93 1i4r s TYR 112 Ca 0.16 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1i4r s TYR 112 Cb -0.05 -0.75 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 1i4r s TYR 112 CO 0.11 0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1i4r n GLY 113 N 2.00 2.52 2.34 0.71 0.00 -0.62 -4.71 105.19 107.44 1i4r n GLY 113 Ca -0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1i4r n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4r n GLY 114 N 0.00 0.88 3.44 -0.02 0.00 -1.26 -4.87 105.19 103.35 1i4r n GLY 114 Ca 0.00 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1i4r n GLY 114 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i4r s ILE 115 N -2.12 2.79 0.00 -0.61 -4.36 -1.26 -1.18 121.20 114.46 1i4r s ILE 115 Ca 0.00 -0.88 -0.01 0.00 -0.26 0.00 0.00 60.65 59.50 1i4r s ILE 115 Cb 0.00 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.62 1i4r s ILE 115 CO 0.00 0.55 0.01 0.42 0.24 0.00 0.00 174.94 176.16 1i4r s THR 116 N -0.73 0.05 0.42 8.37 -4.23 -0.89 -4.95 115.64 113.68 1i4r s THR 116 Ca 0.12 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 59.93 1i4r s THR 116 Cb -0.10 -0.17 -0.08 0.00 1.34 0.00 0.00 72.50 73.48 1i4r s THR 116 CO 0.01 -0.24 1.31 -0.54 -0.54 0.00 0.00 174.62 174.61 1i4r s LYS 117 N -0.72 3.91 -0.09 3.99 1.02 -1.26 -0.34 119.74 126.24 1i4r s LYS 117 Ca -0.08 2.16 -0.19 0.00 0.02 0.00 0.00 55.97 57.88 1i4r s LYS 117 Cb -0.05 -2.72 -0.16 0.00 -0.52 0.00 0.00 37.83 34.38 1i4r s LYS 117 CO -0.00 -0.54 0.64 1.25 -0.92 0.00 0.00 175.35 175.78 1i4r h HIS 118 N 2.59 -0.07 -2.48 3.18 -0.00 -1.68 -3.41 115.15 113.26 1i4r h HIS 118 Ca -0.50 -0.00 -0.60 0.00 -0.00 0.00 0.00 60.37 59.28 1i4r h HIS 118 Cb 1.25 0.02 0.08 0.00 -0.00 0.00 0.00 27.41 28.76 1i4r h HIS 118 CO 0.53 0.47 0.58 -1.91 -0.00 0.00 0.00 177.93 177.60 1i4r n GLU 119 N -4.77 1.90 -1.01 5.26 2.13 -1.26 -2.16 120.64 120.73 1i4r n GLU 119 Ca -0.07 0.68 -0.00 0.00 0.66 0.00 0.00 57.16 58.43 1i4r n GLU 119 Cb 0.28 -2.33 -0.00 0.00 0.27 0.00 0.00 31.44 29.66 1i4r n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i4r n GLY 120 N 2.32 0.16 1.20 8.31 0.00 -1.26 -4.88 105.19 111.04 1i4r n GLY 120 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1i4r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i4r n ASN 121 N -0.73 4.33 -4.46 1.61 5.15 -0.92 -4.97 115.26 115.27 1i4r n ASN 121 Ca -0.00 -2.79 -0.23 0.00 -0.60 0.00 0.00 54.58 50.96 1i4r n ASN 121 Cb 0.37 -0.54 -0.10 0.00 -0.53 0.00 0.00 39.78 38.97 1i4r n ASN 121 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1i4r s HIS 122 N -2.44 2.13 0.05 1.20 3.76 -1.26 -1.37 115.29 117.36 1i4r s HIS 122 Ca 0.44 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 1i4r s HIS 122 Cb 0.33 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1i4r s HIS 122 CO 0.14 0.48 1.04 -0.06 -0.85 0.00 0.00 174.74 175.49 1i4r s PHE 123 N -2.77 3.62 0.31 1.40 0.40 -1.26 -4.87 117.98 114.81 1i4r s PHE 123 Ca 0.29 1.61 0.06 0.00 -0.60 0.00 0.00 56.93 58.30 1i4r s PHE 123 Cb 0.01 -3.20 0.83 0.00 0.51 0.00 0.00 43.02 41.16 1i4r s PHE 123 CO 0.13 -0.35 1.68 -0.44 0.70 0.00 0.00 175.22 176.94 1i4r h ASP 124 N 6.44 0.32 -0.31 1.36 5.19 -2.00 0.64 116.42 128.06 1i4r h ASP 124 Ca -0.42 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1i4r h ASP 124 Cb 1.22 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1i4r h ASP 124 CO 0.76 -0.07 0.00 -3.20 -3.12 0.00 0.00 179.24 173.61 1i4r n ASN 125 N -5.08 1.68 -1.55 6.45 5.15 -1.26 -4.90 115.26 115.74 1i4r n ASN 125 Ca 0.25 -1.99 -0.20 0.00 -0.60 0.00 0.00 54.58 52.03 1i4r n ASN 125 Cb 0.75 -0.21 -0.09 0.00 -0.53 0.00 0.00 39.78 39.71 1i4r n ASN 125 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i4r n GLY 126 N 1.00 1.94 3.95 8.20 0.00 0.22 -4.99 105.19 115.52 1i4r n GLY 126 Ca 0.11 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1i4r n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i4r s ASN 127 N -2.79 5.28 0.03 1.61 0.01 -1.26 -4.98 114.94 112.84 1i4r s ASN 127 Ca 0.00 0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 52.31 1i4r s ASN 127 Cb 0.00 -1.11 -0.05 0.00 0.41 0.00 0.00 41.25 40.50 1i4r s ASN 127 CO 0.00 -1.18 0.28 -0.76 -1.51 0.00 0.00 177.10 173.93 1i4r s LEU 128 N -4.87 4.36 -0.19 0.60 1.43 -1.26 -4.64 118.68 114.11 1i4r s LEU 128 Ca 0.56 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.08 1i4r s LEU 128 Cb -0.10 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 1i4r s LEU 128 CO 0.41 0.22 0.27 -1.58 0.23 0.00 0.00 176.35 175.90 1i4r s GLN 129 N -1.90 4.21 -0.00 1.70 2.00 0.15 -4.92 119.66 120.89 1i4r s GLN 129 Ca 0.30 0.02 -0.17 0.00 -2.00 0.00 0.00 55.36 53.51 1i4r s GLN 129 Cb -0.13 -3.46 -0.06 0.00 0.80 0.00 0.00 33.01 30.16 1i4r s GLN 129 CO 0.18 0.17 0.46 -0.80 -0.50 0.00 0.00 175.29 174.80 1i4r s ASN 130 N 0.65 6.86 -0.15 6.67 0.01 -1.26 -1.85 114.94 125.87 1i4r s ASN 130 Ca 0.14 1.02 0.01 0.00 -0.71 0.00 0.00 52.86 53.32 1i4r s ASN 130 Cb -0.13 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.26 1i4r s ASN 130 CO 0.04 0.25 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.01 1i4r s VAL 131 N -0.78 1.81 0.02 1.60 1.01 -0.20 -4.90 120.40 118.96 1i4r s VAL 131 Ca 0.25 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1i4r s VAL 131 Cb -0.17 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1i4r s VAL 131 CO 0.14 0.50 1.09 -0.22 0.00 0.00 0.00 175.10 176.62 1i4r s LEU 132 N 1.18 4.36 -0.25 3.92 2.96 -1.26 -1.70 118.68 127.89 1i4r s LEU 132 Ca 0.00 1.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.71 1i4r s LEU 132 Cb -0.14 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.00 1i4r s LEU 132 CO -0.08 -0.38 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.90 1i4r s ILE 133 N 1.17 3.04 -0.22 6.68 -1.09 0.53 -3.61 121.20 127.72 1i4r s ILE 133 Ca 0.55 -0.95 -0.13 0.00 -2.23 0.00 0.00 60.65 57.89 1i4r s ILE 133 Cb -0.25 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 1i4r s ILE 133 CO 0.28 0.20 0.29 -0.13 -1.23 0.00 0.00 174.94 174.35 1i4r s ARG 134 N 1.36 4.13 -0.18 2.79 0.52 -0.80 -1.57 118.95 125.20 1i4r s ARG 134 Ca 0.01 -0.00 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 1i4r s ARG 134 Cb -0.17 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1i4r s ARG 134 CO -0.04 0.01 0.10 0.08 0.02 0.00 0.00 175.30 175.48 1i4r s VAL 135 N 1.18 5.18 -0.13 3.52 1.01 0.18 -0.58 120.40 130.76 1i4r s VAL 135 Ca 0.14 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1i4r s VAL 135 Cb -0.14 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1i4r s VAL 135 CO 0.06 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.15 1i4r s TYR 136 N 0.21 2.73 -0.22 5.22 1.51 0.20 -1.75 117.35 125.24 1i4r s TYR 136 Ca 0.07 -0.87 0.02 0.00 -1.01 0.00 0.00 57.07 55.28 1i4r s TYR 136 Cb -0.12 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1i4r s TYR 136 CO -0.01 -0.34 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.73 1i4r s GLU 137 N 0.47 2.51 -1.27 -0.62 2.02 0.11 -0.01 118.70 121.91 1i4r s GLU 137 Ca -0.12 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 53.78 1i4r s GLU 137 Cb -0.16 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1i4r s GLU 137 CO 0.05 -0.41 0.86 0.09 0.02 0.00 0.00 175.26 175.87 1i4r n ASN 138 N 4.54 -1.86 0.00 -0.19 3.02 -0.26 -1.87 115.26 118.63 1i4r n ASN 138 Ca -0.17 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1i4r n ASN 138 Cb 0.46 -4.56 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 1i4r n ASN 138 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1i4r n LYS 139 N -4.25 -0.50 -4.54 3.52 5.02 -1.26 -4.99 118.16 111.16 1i4r n LYS 139 Ca -0.27 0.13 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 1i4r n LYS 139 Cb 0.67 -3.82 -0.13 0.00 -0.02 0.00 0.00 35.03 31.73 1i4r n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1i4r s ARG 140 N -0.80 3.48 -0.42 1.97 0.52 -0.78 -5.06 118.95 117.86 1i4r s ARG 140 Ca 0.00 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 1i4r s ARG 140 Cb 0.00 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.68 1i4r s ARG 140 CO 0.00 0.29 1.45 1.21 0.02 0.00 0.00 175.30 178.27 1i4r s ASN 141 N 0.21 6.26 -0.23 0.23 3.04 -1.26 0.04 114.94 123.22 1i4r s ASN 141 Ca -0.04 0.81 -0.07 0.00 0.04 0.00 0.00 52.86 53.60 1i4r s ASN 141 Cb -0.14 -2.54 -0.18 0.00 -1.54 0.00 0.00 41.25 36.85 1i4r s ASN 141 CO 0.04 -1.50 -0.08 0.35 -3.04 0.00 0.00 177.10 172.87 1i4r n THR 142 N 7.10 1.57 -3.93 -5.21 -2.24 -0.72 -4.97 114.28 105.89 1i4r n THR 142 Ca 0.17 -0.47 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1i4r n THR 142 Cb 0.48 -1.69 -0.08 0.00 -2.10 0.00 0.00 70.33 66.95 1i4r n THR 142 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1i4r s ILE 143 N -2.51 0.15 -0.04 2.28 -4.36 -1.24 -5.05 121.20 110.43 1i4r s ILE 143 Ca -0.32 -1.37 -0.04 0.00 -0.26 0.00 0.00 60.65 58.66 1i4r s ILE 143 Cb 0.10 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.38 1i4r s ILE 143 CO 0.61 -0.70 0.12 -0.44 0.24 0.00 0.00 174.94 174.76 1i4r s SER 144 N -2.89 -0.12 0.08 4.36 0.01 -1.26 -0.65 113.70 113.23 1i4r s SER 144 Ca 0.07 0.23 -0.10 0.00 1.31 0.00 0.00 55.95 57.46 1i4r s SER 144 Cb 0.06 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1i4r s SER 144 CO -0.10 -0.05 0.22 0.72 0.41 0.00 0.00 173.24 174.45 1i4r s PHE 145 N 0.14 0.08 -0.03 2.43 -0.12 -0.61 -4.97 117.98 114.90 1i4r s PHE 145 Ca -0.01 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1i4r s PHE 145 Cb -0.02 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1i4r s PHE 145 CO -0.00 -0.54 0.04 -1.21 -0.05 0.00 0.00 175.22 173.46 1i4r s GLU 146 N -3.54 2.97 0.27 1.99 2.02 -1.26 -0.34 118.70 120.81 1i4r s GLU 146 Ca 0.02 -0.48 0.11 0.00 0.02 0.00 0.00 54.97 54.64 1i4r s GLU 146 Cb 0.03 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1i4r s GLU 146 CO -0.09 0.66 -0.09 0.14 0.02 0.00 0.00 175.26 175.90 1i4r s VAL 147 N -1.06 3.02 0.12 2.63 -7.23 -0.69 -4.91 120.40 112.28 1i4r s VAL 147 Ca 0.18 -2.13 0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1i4r s VAL 147 Cb -0.12 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1i4r s VAL 147 CO 0.09 -0.38 -0.26 -1.10 -0.31 0.00 0.00 175.10 173.14 1i4r s GLN 148 N -3.59 1.38 0.00 4.82 -0.21 -1.26 -1.03 119.66 119.77 1i4r s GLN 148 Ca 0.31 -1.28 -0.11 0.00 0.02 0.00 0.00 55.36 54.29 1i4r s GLN 148 Cb -0.06 -1.80 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1i4r s GLN 148 CO 0.18 0.43 0.24 -0.08 -2.12 0.00 0.00 175.29 173.93 1i4r s THR 149 N -1.05 0.08 -2.49 -0.19 -1.32 -0.77 -4.98 115.64 104.91 1i4r s THR 149 Ca 0.12 -0.62 0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1i4r s THR 149 Cb -0.10 -0.62 0.36 0.00 -1.51 0.00 0.00 72.50 70.63 1i4r s THR 149 CO 0.05 -0.34 1.34 -0.90 -2.21 0.00 0.00 174.62 172.56 1i4r n ASP 150 N 1.19 3.31 -4.80 8.08 5.75 -1.26 -0.68 116.55 128.14 1i4r n ASP 150 Ca -0.21 -1.97 -0.36 0.00 -0.01 0.00 0.00 54.79 52.23 1i4r n ASP 150 Cb 0.56 -0.19 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1i4r n ASP 150 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1i4r s LYS 151 N -1.55 3.66 0.05 0.11 1.02 -1.26 -4.20 119.74 117.56 1i4r s LYS 151 Ca 0.35 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.96 1i4r s LYS 151 Cb 0.21 -3.22 -0.15 0.00 -0.52 0.00 0.00 37.83 34.15 1i4r s LYS 151 CO 0.30 0.59 1.29 0.87 -0.92 0.00 0.00 175.35 177.49 1i4r h LYS 152 N 5.62 0.48 -4.64 1.68 1.57 -1.56 -3.39 116.57 116.34 1i4r h LYS 152 Ca -0.49 -0.32 -0.69 0.00 -1.87 0.00 0.00 60.65 57.28 1i4r h LYS 152 Cb 1.20 0.04 -0.32 0.00 0.08 0.00 0.00 32.23 33.23 1i4r h LYS 152 CO 0.64 0.93 -0.62 0.45 -0.57 0.00 0.00 179.45 180.28 1i4r s SER 153 N -6.45 5.14 0.04 0.86 0.15 -1.26 -1.36 113.70 110.83 1i4r s SER 153 Ca -0.13 -1.49 0.07 0.00 0.70 0.00 0.00 55.95 55.09 1i4r s SER 153 Cb 0.06 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 1i4r s SER 153 CO 0.80 -0.38 -0.16 0.54 1.20 0.00 0.00 173.24 175.24 1i4r s VAL 154 N 1.26 2.93 0.46 4.45 0.11 -0.54 -4.87 120.40 124.20 1i4r s VAL 154 Ca 0.00 -1.13 -0.24 0.00 -2.93 0.00 0.00 61.98 57.68 1i4r s VAL 154 Cb -0.21 -2.24 -0.07 0.00 -1.53 0.00 0.00 36.38 32.32 1i4r s VAL 154 CO -0.01 0.34 1.29 0.42 -3.33 0.00 0.00 175.10 173.81 1i4r s THR 155 N -0.95 2.56 0.47 5.04 -4.23 -1.26 -1.04 115.64 116.22 1i4r s THR 155 Ca 0.15 0.46 0.20 0.00 -1.18 0.00 0.00 61.69 61.32 1i4r s THR 155 Cb -0.11 -3.25 0.24 0.00 1.34 0.00 0.00 72.50 70.73 1i4r s THR 155 CO 0.06 0.03 2.06 0.00 -0.54 0.00 0.00 174.62 176.23 1i4r h ALA 156 N 2.17 1.59 -0.46 3.99 0.00 -1.33 -2.42 119.26 122.81 1i4r h ALA 156 Ca -0.50 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1i4r h ALA 156 Cb 1.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1i4r h ALA 156 CO 0.60 0.16 0.29 0.37 0.00 0.00 0.00 179.25 180.67 1i4r h GLN 157 N 0.00 0.56 -0.58 0.00 4.15 -1.89 -0.78 115.11 116.57 1i4r h GLN 157 Ca -0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1i4r h GLN 157 Cb 0.25 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1i4r h GLN 157 CO 0.02 0.37 0.38 1.49 -1.93 0.00 0.00 178.83 179.16 1i4r h GLU 158 N 0.58 0.74 -0.41 1.69 4.81 -1.67 -1.12 114.58 119.20 1i4r h GLU 158 Ca 0.18 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1i4r h GLU 158 Cb -0.02 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1i4r h GLU 158 CO -0.07 0.49 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.50 1i4r h LEU 159 N 0.77 0.83 0.24 1.64 3.38 -1.48 -2.36 115.31 118.34 1i4r h LEU 159 Ca 0.21 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1i4r h LEU 159 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1i4r h LEU 159 CO -0.05 1.02 -0.12 -0.78 0.09 0.00 0.00 178.44 178.60 1i4r h ASP 160 N 0.63 -0.28 -0.38 -0.43 3.58 -0.99 -0.57 116.42 117.99 1i4r h ASP 160 Ca 0.10 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1i4r h ASP 160 Cb 0.68 0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 1i4r h ASP 160 CO 0.05 -0.19 -0.04 0.40 -2.88 0.00 0.00 179.24 176.57 1i4r h ILE 161 N -0.34 0.67 -0.52 2.25 2.04 -1.19 0.98 117.51 121.40 1i4r h ILE 161 Ca -0.03 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1i4r h ILE 161 Cb 0.26 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1i4r h ILE 161 CO 0.06 0.01 0.21 0.11 0.00 0.00 0.00 178.15 178.53 1i4r h LYS 162 N 0.05 0.74 -0.13 2.37 1.57 -1.28 -0.65 116.57 119.25 1i4r h LYS 162 Ca 0.18 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1i4r h LYS 162 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1i4r h LYS 162 CO -0.35 0.61 -0.04 0.00 -0.57 0.00 0.00 179.45 179.11 1i4r h ALA 163 N 1.49 0.19 -0.04 3.86 0.00 0.15 -2.91 119.26 122.00 1i4r h ALA 163 Ca 0.18 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1i4r h ALA 163 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1i4r h ALA 163 CO -0.02 -0.05 -0.34 0.00 0.00 0.00 0.00 179.25 178.84 1i4r h ARG 164 N -0.05 0.08 -0.78 0.00 3.08 -0.59 -2.14 114.38 113.98 1i4r h ARG 164 Ca 0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1i4r h ARG 164 Cb 0.47 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1i4r h ARG 164 CO 0.01 0.41 0.32 -0.97 -1.07 0.00 0.00 179.97 178.68 1i4r h ASN 165 N 0.07 1.08 -0.06 7.04 -0.73 -1.07 -0.53 115.58 121.38 1i4r h ASN 165 Ca 0.01 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.00 1i4r h ASN 165 Cb 0.64 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 1i4r h ASN 165 CO 0.05 0.95 -0.03 0.15 -0.37 0.00 0.00 177.43 178.18 1i4r h PHE 166 N 1.14 0.14 0.00 0.67 3.57 -1.28 -3.18 116.94 118.01 1i4r h PHE 166 Ca 0.26 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1i4r h PHE 166 Cb 0.21 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1i4r h PHE 166 CO 0.02 0.51 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.39 1i4r h LEU 167 N -0.26 0.00 -0.43 0.59 3.38 -1.21 0.11 115.31 117.48 1i4r h LEU 167 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1i4r h LEU 167 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1i4r h LEU 167 CO 0.01 0.15 0.01 0.40 0.09 0.00 0.00 178.44 179.09 1i4r h ILE 168 N 0.00 1.26 0.08 1.22 2.04 -1.09 0.23 117.51 121.25 1i4r h ILE 168 Ca -0.00 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1i4r h ILE 168 Cb 0.29 1.06 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1i4r h ILE 168 CO 0.02 0.35 -0.67 0.78 0.00 0.00 0.00 178.15 178.63 1i4r h ASN 169 N 0.60 0.45 0.42 1.72 2.35 -1.40 -2.03 115.58 117.68 1i4r h ASN 169 Ca 0.12 -0.88 -0.25 0.00 -0.55 0.00 0.00 56.30 54.74 1i4r h ASN 169 Cb 0.48 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1i4r h ASN 169 CO 0.02 1.29 -1.10 0.50 -1.65 0.00 0.00 177.43 176.50 1i4r h LYS 170 N -0.32 0.39 0.00 0.81 1.63 -0.87 -3.38 116.57 114.83 1i4r h LYS 170 Ca -0.11 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1i4r h LYS 170 Cb 1.46 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1i4r h LYS 170 CO 0.13 1.18 -0.05 1.63 -3.45 0.00 0.00 179.45 178.89 1i4r n LYS 171 N -3.68 1.75 -4.09 1.90 4.76 0.74 -5.00 118.16 114.55 1i4r n LYS 171 Ca -0.08 -1.57 -0.32 0.00 -2.87 0.00 0.00 58.31 53.47 1i4r n LYS 171 Cb 0.92 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.10 1i4r n LYS 171 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1i4r n ASN 172 N -0.62 -2.51 -0.28 4.39 4.13 -0.75 -4.82 115.26 114.80 1i4r n ASN 172 Ca 0.04 -0.98 0.01 0.00 1.68 0.00 0.00 54.58 55.34 1i4r n ASN 172 Cb 0.44 -3.03 0.08 0.00 -1.54 0.00 0.00 39.78 35.73 1i4r n ASN 172 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1i4r h LEU 173 N -1.70 -0.87 -8.27 3.41 5.85 -1.51 -3.40 115.31 108.82 1i4r h LEU 173 Ca -0.60 0.25 -0.52 0.00 0.84 0.00 0.00 57.88 57.85 1i4r h LEU 173 Cb 1.38 0.54 -0.29 0.00 0.37 0.00 0.00 40.66 42.65 1i4r h LEU 173 CO 0.71 -0.28 -0.82 -0.31 -0.34 0.00 0.00 178.44 177.40 1i4r s TYR 174 N -6.19 1.43 0.38 1.25 4.12 -1.26 -4.40 117.35 112.67 1i4r s TYR 174 Ca -0.15 -0.27 0.02 0.00 0.02 0.00 0.00 57.07 56.69 1i4r s TYR 174 Cb 0.22 -0.92 -0.01 0.00 -1.52 0.00 0.00 41.96 39.73 1i4r s TYR 174 CO 0.75 -0.02 0.06 0.39 0.02 0.00 0.00 175.55 176.74 1i4r n GLU 175 N 2.68 0.83 0.20 -0.62 1.02 -0.58 -4.92 120.64 119.26 1i4r n GLU 175 Ca -0.14 -2.94 -0.15 0.00 -0.02 0.00 0.00 57.16 53.91 1i4r n GLU 175 Cb 0.54 1.15 -0.08 0.00 -0.02 0.00 0.00 31.44 33.03 1i4r n GLU 175 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1i4r h PHE 176 N 1.37 -0.45 0.18 -0.32 3.57 -1.93 -2.78 116.94 116.58 1i4r h PHE 176 Ca -0.31 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1i4r h PHE 176 Cb 1.02 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1i4r h PHE 176 CO 0.00 -0.20 -0.08 -0.97 -2.23 0.00 0.00 178.31 174.83 1i4r h ASN 177 N -0.64 -0.20 0.00 0.41 -0.00 -1.94 0.11 115.58 113.32 1i4r h ASN 177 Ca -0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 1i4r h ASN 177 Cb 0.46 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.83 1i4r h ASN 177 CO 0.08 0.35 0.00 -0.24 -0.00 0.00 0.00 177.43 177.62 1i4r n SER 178 N -4.92 0.00 -4.07 1.15 2.88 -1.26 -2.71 113.62 104.69 1i4r n SER 178 Ca -0.06 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1i4r n SER 178 Cb 0.20 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.54 1i4r n SER 178 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1i4r s SER 179 N 1.35 0.99 0.00 -3.46 0.15 -1.26 -1.53 113.70 109.94 1i4r s SER 179 Ca 0.00 -0.51 0.24 0.00 0.70 0.00 0.00 55.95 56.38 1i4r s SER 179 Cb 0.00 0.01 1.35 0.00 -1.71 0.00 0.00 66.02 65.66 1i4r s SER 179 CO 0.00 -0.15 1.80 -0.81 1.20 0.00 0.00 173.24 175.28 1i4r n PRO 180 N 1.61 0.60 -4.35 5.44 -0.04 -1.26 -4.71 135.00 132.29 1i4r n PRO 180 Ca -0.21 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 62.96 1i4r n PRO 180 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1i4r n PRO 180 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1i4r s TYR 181 N -2.22 2.89 -0.15 0.54 1.51 -1.26 -4.72 117.35 113.95 1i4r s TYR 181 Ca 0.31 -0.05 -0.11 0.00 -1.01 0.00 0.00 57.07 56.21 1i4r s TYR 181 Cb 0.16 -1.57 -0.24 0.00 -0.11 0.00 0.00 41.96 40.20 1i4r s TYR 181 CO 0.31 0.41 0.30 -1.91 -1.11 0.00 0.00 175.55 173.54 1i4r n GLU 182 N 1.25 0.70 -4.20 -0.62 4.07 0.54 -4.57 120.64 117.80 1i4r n GLU 182 Ca -0.14 0.35 -0.16 0.00 -0.06 0.00 0.00 57.16 57.15 1i4r n GLU 182 Cb 0.52 -1.71 -0.11 0.00 -0.06 0.00 0.00 31.44 30.08 1i4r n GLU 182 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1i4r s THR 183 N -2.50 1.06 -0.29 6.31 2.01 -1.13 -0.87 115.64 120.23 1i4r s THR 183 Ca -0.25 -1.66 -0.22 0.00 0.31 0.00 0.00 61.69 59.87 1i4r s THR 183 Cb 0.07 -1.41 0.15 0.00 0.01 0.00 0.00 72.50 71.32 1i4r s THR 183 CO 0.71 -0.51 1.15 -0.83 -0.69 0.00 0.00 174.62 174.45 1i4r s GLY 184 N -2.44 0.09 -0.05 4.40 0.00 -1.26 -1.50 107.32 106.56 1i4r s GLY 184 Ca 0.06 3.12 -0.11 0.00 0.00 0.00 0.00 44.72 47.79 1i4r s GLY 184 CO 0.01 2.12 0.27 -2.52 0.00 0.00 0.00 173.10 172.97 1i4r s TYR 185 N 0.49 -0.20 -0.18 1.90 -0.85 -0.77 -0.04 117.35 117.71 1i4r s TYR 185 Ca 0.01 0.41 -0.05 0.00 -0.52 0.00 0.00 57.07 56.92 1i4r s TYR 185 Cb -0.04 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 1i4r s TYR 185 CO -0.11 -0.27 -0.01 -1.50 -1.52 0.00 0.00 175.55 172.15 1i4r s ILE 186 N -0.69 3.99 -0.11 -3.49 2.07 -0.63 -1.03 121.20 121.31 1i4r s ILE 186 Ca -0.08 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 58.87 1i4r s ILE 186 Cb -0.04 -2.78 -0.01 0.00 0.13 0.00 0.00 42.46 39.75 1i4r s ILE 186 CO 0.02 0.45 -0.16 -0.75 -1.91 0.00 0.00 174.94 172.60 1i4r s LYS 187 N 0.72 3.12 -0.10 3.50 2.20 0.11 -1.31 119.74 127.98 1i4r s LYS 187 Ca -0.00 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.83 1i4r s LYS 187 Cb -0.14 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 1i4r s LYS 187 CO 0.02 0.30 0.07 -0.06 -0.36 0.00 0.00 175.35 175.32 1i4r s PHE 188 N 0.11 3.38 -0.26 4.03 0.40 0.54 -0.78 117.98 125.40 1i4r s PHE 188 Ca -0.08 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1i4r s PHE 188 Cb -0.15 -1.86 0.08 0.00 0.51 0.00 0.00 43.02 41.60 1i4r s PHE 188 CO 0.05 0.61 0.02 0.42 0.70 0.00 0.00 175.22 177.01 1i4r s ILE 189 N -0.98 1.27 0.51 0.64 1.01 0.92 -2.36 121.20 122.22 1i4r s ILE 189 Ca 0.15 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 1i4r s ILE 189 Cb -0.12 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.54 1i4r s ILE 189 CO 0.04 -0.34 0.96 -1.61 0.00 0.00 0.00 174.94 173.99 1i4r s GLU 190 N 1.47 3.86 0.00 2.79 2.02 -0.23 -0.95 118.70 127.67 1i4r s GLU 190 Ca 0.01 0.84 0.09 0.00 0.02 0.00 0.00 54.97 55.93 1i4r s GLU 190 Cb -0.18 -2.17 0.52 0.00 0.10 0.00 0.00 34.13 32.40 1i4r s GLU 190 CO -0.12 -0.28 0.95 0.27 0.02 0.00 0.00 175.26 176.10 1i4r n ASN 191 N -1.72 0.00 -0.82 -0.19 6.94 -1.26 -1.11 115.26 117.09 1i4r n ASN 191 Ca 0.06 -0.63 0.08 0.00 -0.02 0.00 0.00 54.58 54.07 1i4r n ASN 191 Cb 0.54 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.12 1i4r n ASN 191 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1i4r n ASN 192 N -0.80 2.94 0.00 0.53 6.94 -1.26 -4.96 115.26 118.65 1i4r n ASN 192 Ca 0.07 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 1i4r n ASN 192 Cb 0.03 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 1i4r n ASN 192 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i4r n GLY 193 N 0.96 1.93 3.76 4.83 0.00 -0.27 -5.05 105.19 111.36 1i4r n GLY 193 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1i4r n GLY 193 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1i4r s ASN 194 N -1.97 6.92 0.08 1.61 3.84 -1.26 -4.80 114.94 119.36 1i4r s ASN 194 Ca 0.00 2.50 0.05 0.00 0.21 0.00 0.00 52.86 55.62 1i4r s ASN 194 Cb 0.00 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.04 1i4r s ASN 194 CO 0.00 -0.46 -0.14 0.42 -2.79 0.00 0.00 177.10 174.14 1i4r s THR 195 N -0.67 1.13 0.12 -5.21 -4.23 -1.26 -1.07 115.64 104.46 1i4r s THR 195 Ca 0.51 -1.39 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 1i4r s THR 195 Cb -0.37 -1.16 0.06 0.00 1.34 0.00 0.00 72.50 72.37 1i4r s THR 195 CO 0.45 -0.28 0.55 0.72 -0.54 0.00 0.00 174.62 175.52 1i4r s PHE 196 N -1.49 -0.46 0.13 3.99 -0.12 -1.00 -1.73 117.98 117.30 1i4r s PHE 196 Ca 0.00 0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 57.10 1i4r s PHE 196 Cb -0.09 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 1i4r s PHE 196 CO 0.02 -0.77 0.22 1.67 -0.05 0.00 0.00 175.22 176.31 1i4r s TRP 197 N -3.43 0.32 -0.02 3.49 1.48 -1.26 -0.34 118.94 119.18 1i4r s TRP 197 Ca -0.00 -0.72 0.05 0.00 -1.06 0.00 0.00 56.10 54.37 1i4r s TRP 197 Cb -0.00 -0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 32.20 1i4r s TRP 197 CO -0.10 -0.62 -0.18 0.71 -4.06 0.00 0.00 176.95 172.70 1i4r s TYR 198 N -3.92 1.62 -0.18 1.66 4.12 -0.43 -4.96 117.35 115.26 1i4r s TYR 198 Ca 0.12 -0.32 -0.29 0.00 0.02 0.00 0.00 57.07 56.60 1i4r s TYR 198 Cb 0.04 -1.05 -0.00 0.00 -1.52 0.00 0.00 41.96 39.43 1i4r s TYR 198 CO -0.05 -0.04 1.10 0.34 0.02 0.00 0.00 175.55 176.92 1i4r s ASP 199 N -0.38 7.09 0.00 2.29 3.68 -1.26 -1.60 116.67 126.48 1i4r s ASP 199 Ca 0.06 1.51 0.30 0.00 2.13 0.00 0.00 52.55 56.56 1i4r s ASP 199 Cb -0.07 -2.54 1.51 0.00 -1.45 0.00 0.00 42.92 40.36 1i4r s ASP 199 CO -0.00 -0.64 2.01 0.23 0.13 0.00 0.00 175.17 176.89 1i4r n MET 200 N 6.03 1.08 -4.24 4.34 2.81 0.94 -4.87 117.12 123.21 1i4r n MET 200 Ca 0.12 -0.31 -0.31 0.00 -1.81 0.00 0.00 57.70 55.38 1i4r n MET 200 Cb 0.46 -1.49 -0.09 0.00 -0.71 0.00 0.00 33.22 31.39 1i4r n MET 200 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1i4r s MET 201 N -2.13 2.55 0.62 0.03 -1.94 -1.25 -4.96 119.30 112.21 1i4r s MET 201 Ca 0.40 -0.78 -0.18 0.00 -1.71 0.00 0.00 55.69 53.42 1i4r s MET 201 Cb 0.21 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.50 1i4r s MET 201 CO 0.39 0.57 1.18 -1.25 -0.01 0.00 0.00 175.02 175.90 1i4r s PRO 202 N -1.94 2.86 0.52 2.03 0.04 -1.26 -4.78 135.00 132.46 1i4r s PRO 202 Ca 0.22 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 1i4r s PRO 202 Cb -0.11 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1i4r s PRO 202 CO 0.14 -1.27 1.27 0.00 0.04 0.00 0.00 177.00 177.17 1i4r s ALA 203 N -1.79 2.85 0.67 8.56 0.00 -1.26 -4.62 121.76 126.17 1i4r s ALA 203 Ca 0.75 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 1i4r s ALA 203 Cb -0.28 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1i4r s ALA 203 CO 0.35 -1.06 0.94 -0.35 0.00 0.00 0.00 175.76 175.64 1i4r n PRO 204 N -0.86 0.66 0.00 0.00 -0.04 -1.26 -4.81 135.00 128.68 1i4r n PRO 204 Ca 0.09 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1i4r n PRO 204 Cb 0.47 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1i4r n PRO 204 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i4r n GLY 205 N 1.22 0.78 0.23 0.55 0.00 -0.95 -4.90 105.19 102.11 1i4r n GLY 205 Ca 0.13 -2.03 0.02 0.00 0.00 0.00 0.00 46.02 44.15 1i4r n GLY 205 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4r n ASP 206 N 1.47 2.08 -3.55 1.61 5.68 -1.26 0.13 116.55 122.70 1i4r n ASP 206 Ca 0.00 -1.77 -0.23 0.00 -0.50 0.00 0.00 54.79 52.29 1i4r n ASP 206 Cb 0.00 -0.07 -0.15 0.00 -1.14 0.00 0.00 41.12 39.77 1i4r n ASP 206 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1i4r s LYS 207 N -0.82 0.13 0.06 0.11 2.36 -1.26 -3.69 119.74 116.63 1i4r s LYS 207 Ca 0.08 -0.03 -0.31 0.00 -2.55 0.00 0.00 55.97 53.16 1i4r s LYS 207 Cb 0.04 -1.48 -0.05 0.00 -1.05 0.00 0.00 37.83 35.29 1i4r s LYS 207 CO 0.06 -0.72 1.19 0.12 1.55 0.00 0.00 175.35 177.55 1i4r s PHE 208 N 2.21 3.44 -0.56 4.03 5.36 -1.26 -4.99 117.98 126.21 1i4r s PHE 208 Ca 0.05 1.31 -0.11 0.00 -0.96 0.00 0.00 56.93 57.22 1i4r s PHE 208 Cb -0.16 -3.41 0.14 0.00 -0.34 0.00 0.00 43.02 39.25 1i4r s PHE 208 CO -0.14 -1.24 0.46 0.34 -1.46 0.00 0.00 175.22 173.18 1i4r s ASP 209 N 1.07 5.95 0.14 6.13 -1.08 -1.26 -4.96 116.67 122.66 1i4r s ASP 209 Ca 0.58 -2.09 -0.18 0.00 -0.52 0.00 0.00 52.55 50.35 1i4r s ASP 209 Cb -0.29 -2.08 0.02 0.00 -1.46 0.00 0.00 42.92 39.11 1i4r s ASP 209 CO 0.29 -0.69 1.75 1.56 0.52 0.00 0.00 175.17 178.60 1i4r h GLN 210 N 8.33 0.22 -0.31 4.34 4.20 -1.93 -1.61 115.11 128.36 1i4r h GLN 210 Ca -0.17 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1i4r h GLN 210 Cb 1.06 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1i4r h GLN 210 CO 0.88 0.15 0.13 1.03 -0.67 0.00 0.00 178.83 180.35 1i4r h SER 211 N 0.23 0.17 -0.14 1.46 0.87 -1.93 -1.04 113.55 113.18 1i4r h SER 211 Ca 0.13 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 1i4r h SER 211 Cb 0.10 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1i4r h SER 211 CO -0.14 0.14 -0.09 0.50 -0.53 0.00 0.00 176.83 176.71 1i4r h LYS 212 N 0.28 0.46 -0.07 2.24 3.64 -1.93 -2.20 116.57 118.99 1i4r h LYS 212 Ca 0.13 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1i4r h LYS 212 Cb 0.08 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1i4r h LYS 212 CO -0.12 0.56 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.50 1i4r h TYR 213 N 0.43 0.34 0.00 1.91 3.20 -0.88 -3.18 116.97 118.78 1i4r h TYR 213 Ca 0.09 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1i4r h TYR 213 Cb 0.42 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1i4r h TYR 213 CO 0.01 0.82 0.00 -0.07 -1.64 0.00 0.00 178.16 177.28 1i4r h LEU 214 N -0.24 0.00 -2.61 2.82 3.38 -1.10 -2.99 115.31 114.56 1i4r h LEU 214 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i4r h LEU 214 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1i4r h LEU 214 CO 0.04 0.00 0.12 -0.03 0.09 0.00 0.00 178.44 178.66 1i4r h MET 215 N 0.00 0.00 0.00 1.13 4.05 -1.38 -1.44 114.93 117.29 1i4r h MET 215 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1i4r h MET 215 Cb 0.27 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1i4r h MET 215 CO 0.00 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.14 1i4r h MET 216 N 0.00 0.00 -0.22 0.39 -0.00 -1.73 -1.49 114.93 111.88 1i4r h MET 216 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1i4r h MET 216 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1i4r h MET 216 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.57 1i4r n TYR 217 N -2.58 0.29 0.37 -0.10 0.53 -0.54 -4.34 117.16 110.78 1i4r n TYR 217 Ca -0.01 -0.14 0.11 0.00 -1.02 0.00 0.00 57.90 56.83 1i4r n TYR 217 Cb 0.12 0.00 0.46 0.00 -1.03 0.00 0.00 39.34 38.89 1i4r n TYR 217 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1i4r n ASN 218 N 0.57 0.53 0.00 7.72 6.94 -0.56 -2.20 115.26 128.26 1i4r n ASN 218 Ca 0.16 0.65 0.12 0.00 -0.02 0.00 0.00 54.58 55.49 1i4r n ASN 218 Cb 0.38 -0.75 0.58 0.00 -2.36 0.00 0.00 39.78 37.63 1i4r n ASN 218 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1i4r n ASP 219 N -2.10 0.00 -2.39 0.53 3.85 -1.26 -0.29 116.55 114.89 1i4r n ASP 219 Ca 0.02 0.05 -0.17 0.00 -0.71 0.00 0.00 54.79 53.98 1i4r n ASP 219 Cb 0.19 -0.32 -0.01 0.00 -1.35 0.00 0.00 41.12 39.62 1i4r n ASP 219 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i4r n ASN 220 N -1.32 -4.90 -4.66 -1.12 4.05 -0.93 -4.88 115.26 101.50 1i4r n ASN 220 Ca 0.10 0.10 -0.47 0.00 0.45 0.00 0.00 54.58 54.76 1i4r n ASN 220 Cb 0.20 -4.12 -0.04 0.00 1.23 0.00 0.00 39.78 37.05 1i4r n ASN 220 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1i4r n LYS 221 N -2.88 2.00 -4.42 1.20 3.00 -1.26 -4.88 118.16 110.91 1i4r n LYS 221 Ca -0.20 0.72 -0.26 0.00 -0.00 0.00 0.00 58.31 58.58 1i4r n LYS 221 Cb 0.65 -2.48 -0.11 0.00 0.00 0.00 0.00 35.03 33.09 1i4r n LYS 221 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1i4r s THR 222 N 1.14 2.55 0.09 3.15 -4.23 -1.26 -0.86 115.64 116.22 1i4r s THR 222 Ca 0.81 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1i4r s THR 222 Cb -0.72 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1i4r s THR 222 CO 0.41 -0.24 -0.02 0.68 -0.54 0.00 0.00 174.62 174.91 1i4r s VAL 223 N -2.03 0.38 -0.54 2.29 -7.23 -0.21 -4.85 120.40 108.21 1i4r s VAL 223 Ca 0.25 -1.88 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 1i4r s VAL 223 Cb -0.07 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 35.18 1i4r s VAL 223 CO 0.13 -0.82 1.11 -0.62 -0.31 0.00 0.00 175.10 174.59 1i4r s ASP 224 N -3.00 6.47 0.36 4.85 2.15 -1.26 -1.46 116.67 124.78 1i4r s ASP 224 Ca 0.13 0.10 0.10 0.00 0.43 0.00 0.00 52.55 53.31 1i4r s ASP 224 Cb 0.07 -2.52 0.86 0.00 -0.30 0.00 0.00 42.92 41.02 1i4r s ASP 224 CO -0.05 -1.35 1.86 0.77 -0.17 0.00 0.00 175.17 176.23 1i4r h SER 225 N 9.39 0.62 0.83 -0.34 4.64 -1.46 -0.46 113.55 126.77 1i4r h SER 225 Ca -0.25 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1i4r h SER 225 Cb 1.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1i4r h SER 225 CO 1.14 0.30 -0.18 0.50 -0.87 0.00 0.00 176.83 177.72 1i4r h LYS 226 N 0.65 0.00 0.00 4.77 3.64 -1.89 -3.36 116.57 120.38 1i4r h LYS 226 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1i4r h LYS 226 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1i4r h LYS 226 CO -0.21 0.18 -0.49 -1.13 -2.27 0.00 0.00 179.45 175.53 1i4r n SER 227 N -3.39 2.45 -4.76 4.20 3.41 -0.76 -5.06 113.62 109.71 1i4r n SER 227 Ca -0.00 -0.23 -0.37 0.00 -0.26 0.00 0.00 58.87 58.01 1i4r n SER 227 Cb 0.38 0.96 0.01 0.00 -0.26 0.00 0.00 64.21 65.30 1i4r n SER 227 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i4r s VAL 228 N -1.45 2.79 0.02 -3.33 0.11 -0.26 -4.38 120.40 113.91 1i4r s VAL 228 Ca 0.00 0.56 0.08 0.00 -2.93 0.00 0.00 61.98 59.69 1i4r s VAL 228 Cb 0.00 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.56 1i4r s VAL 228 CO 0.00 -0.04 -0.24 -0.54 -3.33 0.00 0.00 175.10 170.95 1i4r s LYS 229 N -2.94 1.98 -0.03 1.54 1.02 -0.12 -4.79 119.74 116.40 1i4r s LYS 229 Ca 0.69 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.70 1i4r s LYS 229 Cb -0.31 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1i4r s LYS 229 CO 0.36 0.54 -0.13 0.42 -0.92 0.00 0.00 175.35 175.62 1i4r s ILE 230 N -0.78 1.06 -0.07 2.17 1.01 -1.24 -0.06 121.20 123.30 1i4r s ILE 230 Ca 0.12 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1i4r s ILE 230 Cb -0.10 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1i4r s ILE 230 CO 0.02 0.32 -0.11 -1.61 0.00 0.00 0.00 174.94 173.55 1i4r s GLU 231 N 0.06 1.60 -0.25 2.79 2.02 0.04 -1.90 118.70 123.06 1i4r s GLU 231 Ca -0.02 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 1i4r s GLU 231 Cb -0.09 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 1i4r s GLU 231 CO 0.01 -0.01 0.04 0.08 0.02 0.00 0.00 175.26 175.40 1i4r s VAL 232 N 0.78 3.97 -0.32 2.63 1.01 0.25 0.09 120.40 128.80 1i4r s VAL 232 Ca -0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1i4r s VAL 232 Cb -0.15 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.39 1i4r s VAL 232 CO 0.02 0.31 0.07 -1.00 0.00 0.00 0.00 175.10 174.50 1i4r s HIS 233 N 1.55 3.26 0.26 5.22 3.76 -0.20 0.61 115.29 129.76 1i4r s HIS 233 Ca 0.05 -1.60 0.11 0.00 -0.15 0.00 0.00 55.06 53.47 1i4r s HIS 233 Cb -0.15 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.27 1i4r s HIS 233 CO 0.01 -0.76 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.52 1i4r s LEU 234 N 1.34 2.87 0.01 0.89 2.01 0.99 -1.84 118.68 124.96 1i4r s LEU 234 Ca -0.03 -0.81 0.01 0.00 0.01 0.00 0.00 54.13 53.30 1i4r s LEU 234 Cb -0.20 -1.42 -0.01 0.00 0.01 0.00 0.00 46.19 44.57 1i4r s LEU 234 CO 0.01 0.04 -0.03 0.42 1.01 0.00 0.00 176.35 177.80 1i4r s THR 235 N -2.30 0.18 -0.57 5.49 -4.23 -0.56 -1.10 115.64 112.55 1i4r s THR 235 Ca 0.29 -0.47 0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1i4r s THR 235 Cb -0.06 -0.23 -0.18 0.00 1.34 0.00 0.00 72.50 73.38 1i4r s THR 235 CO 0.17 -0.19 0.58 0.35 -0.54 0.00 0.00 174.62 174.99 1i4r n THR 236 N 2.38 0.00 0.00 3.99 -2.24 -1.26 -0.34 114.28 116.81 1i4r n THR 236 Ca -0.17 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1i4r n THR 236 Cb 0.57 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1i4r n THR 236 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1i4r n LYS 237 N -1.48 0.00 0.38 -0.78 2.85 -1.26 0.49 118.16 118.36 1i4r n LYS 237 Ca 0.02 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.12 1i4r n LYS 237 Cb 0.26 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.57 1i4r n LYS 237 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1i4r h ASN 238 N 0.00 -0.83 0.00 -5.58 -0.73 -2.00 -3.53 115.58 102.92 1i4r h ASN 238 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1i4r h ASN 238 Cb 0.00 0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1i4r h ASN 238 CO 0.00 -0.46 0.00 0.61 -0.37 0.00 0.00 177.43 177.21