#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2r h LEU 39 N 0.00 0.54 -0.21 0.99 5.85 -2.03 -2.89 115.31 117.56 2i2r h LEU 39 Ca 0.00 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2i2r h LEU 39 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2i2r h LEU 39 CO 0.00 0.73 0.00 1.21 -0.34 0.00 0.00 178.44 180.04 2i2r n GLU 40 N -4.54 0.22 0.10 1.25 2.13 -1.26 -1.59 120.64 116.95 2i2r n GLU 40 Ca -0.03 0.26 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 2i2r n GLU 40 Cb 0.27 -1.80 -0.08 0.00 0.27 0.00 0.00 31.44 30.10 2i2r n GLU 40 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2i2r h GLN 41 N 0.00 -0.29 -0.95 5.31 7.50 -1.98 -3.07 115.11 121.63 2i2r h GLN 41 Ca 0.00 0.02 0.13 0.00 0.50 0.00 0.00 58.65 59.30 2i2r h GLN 41 Cb 0.60 0.06 -0.09 0.00 0.05 0.00 0.00 27.48 28.11 2i2r h GLN 41 CO 0.00 0.09 0.57 -0.07 -1.50 0.00 0.00 178.83 177.92 2i2r h LEU 42 N -0.78 0.80 -0.42 1.46 3.38 -1.27 0.52 115.31 119.00 2i2r h LEU 42 Ca -0.03 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2i2r h LEU 42 Cb 0.51 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2i2r h LEU 42 CO 0.05 0.40 0.18 -0.08 0.09 0.00 0.00 178.44 179.08 2i2r h GLU 43 N 0.87 0.35 0.43 1.13 4.81 -1.39 -1.17 114.58 119.61 2i2r h GLU 43 Ca 0.49 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 2i2r h GLU 43 Cb 0.55 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2i2r h GLU 43 CO -0.30 0.23 -0.21 0.00 -0.73 0.00 0.00 179.01 178.01 2i2r h ALA 44 N 1.25 -0.57 -0.04 2.92 0.00 -0.63 -3.33 119.26 118.86 2i2r h ALA 44 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2r h ALA 44 Cb 0.14 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2i2r h ALA 44 CO -0.17 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.43 2i2r n GLN 45 N -5.21 1.15 -4.16 0.00 10.64 0.15 -4.80 117.38 115.15 2i2r n GLN 45 Ca -0.10 -0.16 -0.14 0.00 -1.83 0.00 0.00 57.00 54.77 2i2r n GLN 45 Cb 0.29 -1.24 -0.07 0.00 -0.86 0.00 0.00 30.24 28.36 2i2r n GLN 45 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2i2r s THR 46 N -1.60 0.00 -1.22 -0.39 -4.23 -0.45 -4.98 115.64 102.77 2i2r s THR 46 Ca 0.03 -1.80 0.08 0.00 -1.18 0.00 0.00 61.69 58.82 2i2r s THR 46 Cb 0.02 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.72 2i2r s THR 46 CO 0.01 0.00 1.16 0.59 -0.54 0.00 0.00 174.62 175.84 2i2r n ASN 47 N -0.88 2.66 -4.82 3.99 5.03 -1.26 -4.79 115.26 115.18 2i2r n ASN 47 Ca 0.02 -2.25 -0.31 0.00 0.87 0.00 0.00 54.58 52.91 2i2r n ASN 47 Cb 0.63 -0.44 -0.06 0.00 -1.02 0.00 0.00 39.78 38.90 2i2r n ASN 47 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2i2r s PHE 48 N -1.71 3.31 0.68 3.10 0.08 -1.26 -5.08 117.98 117.11 2i2r s PHE 48 Ca 0.25 0.15 -0.11 0.00 0.12 0.00 0.00 56.93 57.34 2i2r s PHE 48 Cb 0.16 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.93 2i2r s PHE 48 CO 0.11 0.55 1.07 0.95 -0.10 0.00 0.00 175.22 177.80 2i2r s THR 49 N -1.40 3.91 0.22 0.64 -4.23 -1.26 -4.57 115.64 108.96 2i2r s THR 49 Ca 0.30 0.62 -0.08 0.00 -1.18 0.00 0.00 61.69 61.35 2i2r s THR 49 Cb -0.12 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.29 2i2r s THR 49 CO 0.23 -0.81 1.74 0.11 -0.54 0.00 0.00 174.62 175.35 2i2r h LYS 50 N -0.57 0.42 -0.23 3.99 1.57 -1.93 -0.28 116.57 119.54 2i2r h LYS 50 Ca -0.45 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.37 2i2r h LYS 50 Cb 1.23 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.37 2i2r h LYS 50 CO 0.63 0.28 -0.33 -0.09 -0.57 0.00 0.00 179.45 179.36 2i2r h ARG 51 N 0.43 -0.34 0.25 3.15 2.43 -2.00 -0.92 114.38 117.38 2i2r h ARG 51 Ca 0.33 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2i2r h ARG 51 Cb 0.42 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2i2r h ARG 51 CO -0.32 -0.22 -0.12 0.93 -1.51 0.00 0.00 179.97 178.73 2i2r h GLU 52 N -0.35 -0.32 -0.97 0.20 5.08 -1.76 -2.59 114.58 113.87 2i2r h GLU 52 Ca 0.12 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.71 2i2r h GLU 52 Cb 0.55 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 2i2r h GLU 52 CO -0.42 -0.17 0.62 -0.07 -1.00 0.00 0.00 179.01 177.96 2i2r h LEU 53 N -0.38 0.60 -0.33 1.33 3.38 -0.87 0.41 115.31 119.44 2i2r h LEU 53 Ca -0.03 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2i2r h LEU 53 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2i2r h LEU 53 CO 0.06 0.21 0.20 1.56 0.09 0.00 0.00 178.44 180.55 2i2r h GLN 54 N 0.58 0.44 -0.52 1.13 4.20 -0.77 0.43 115.11 120.60 2i2r h GLN 54 Ca 0.54 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.18 2i2r h GLN 54 Cb 1.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 2i2r h GLN 54 CO -0.29 0.33 0.19 0.28 -0.67 0.00 0.00 178.83 178.68 2i2r h VAL 55 N 0.42 1.22 -0.22 -0.54 2.07 -0.86 0.13 116.25 118.47 2i2r h VAL 55 Ca 0.12 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2i2r h VAL 55 Cb 0.01 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2i2r h VAL 55 CO -0.02 0.26 0.11 -0.07 0.02 0.00 0.00 177.57 177.87 2i2r h LEU 56 N 0.70 0.29 -0.77 2.57 3.38 -0.68 0.25 115.31 121.05 2i2r h LEU 56 Ca 0.17 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2i2r h LEU 56 Cb 0.22 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2i2r h LEU 56 CO -0.01 0.33 0.46 0.22 0.09 0.00 0.00 178.44 179.53 2i2r h TYR 57 N 0.23 0.85 -0.18 1.13 3.20 0.67 0.77 116.97 123.64 2i2r h TYR 57 Ca 0.08 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2i2r h TYR 57 Cb 0.12 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2i2r h TYR 57 CO -0.02 0.42 -0.20 0.00 -1.64 0.00 0.00 178.16 176.71 2i2r h ARG 58 N 0.84 0.31 0.93 1.82 3.08 -0.35 0.45 114.38 121.46 2i2r h ARG 58 Ca 0.34 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2i2r h ARG 58 Cb 0.17 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2i2r h ARG 58 CO -0.17 0.51 -0.44 0.78 -1.07 0.00 0.00 179.97 179.57 2i2r h GLY 59 N 0.92 -1.30 0.18 0.04 0.00 0.13 -2.95 103.07 100.10 2i2r h GLY 59 Ca 0.05 0.48 0.05 0.00 0.00 0.00 0.00 47.33 47.91 2i2r h GLY 59 CO 0.04 -0.47 -0.31 -2.75 0.00 0.00 0.00 176.54 173.04 2i2r h PHE 60 N -1.28 -0.86 0.00 5.60 3.57 -0.59 -2.77 116.94 120.61 2i2r h PHE 60 Ca -0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2i2r h PHE 60 Cb 0.96 0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2i2r h PHE 60 CO -0.00 -0.39 0.00 -0.22 -2.23 0.00 0.00 178.31 175.46 2i2r h LYS 61 N -0.40 0.00 0.03 1.11 3.11 -0.14 0.01 116.57 120.29 2i2r h LYS 61 Ca 0.09 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.60 2i2r h LYS 61 Cb 0.54 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.72 2i2r h LYS 61 CO -0.34 0.00 -1.95 0.09 -2.81 0.00 0.00 179.45 174.44 2i2r n ASN 62 N -2.40 1.09 0.15 4.20 3.02 -1.07 -2.81 115.26 117.43 2i2r n ASN 62 Ca -0.01 0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.81 2i2r n ASN 62 Cb 0.07 -0.09 0.17 0.00 -0.61 0.00 0.00 39.78 39.33 2i2r n ASN 62 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2i2r h GLU 63 N 0.02 0.00 -2.89 3.52 4.39 -0.75 -3.40 114.58 115.47 2i2r h GLU 63 Ca -0.39 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.10 2i2r h GLU 63 Cb 2.05 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 30.38 2i2r h GLU 63 CO 0.06 0.54 -0.53 0.00 -1.16 0.00 0.00 179.01 177.93 2i2r h PRO 65 N 8.13 0.94 0.00 0.00 0.11 -1.74 -3.17 132.00 136.27 2i2r h PRO 65 Ca -0.18 -0.32 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2i2r h PRO 65 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2i2r h PRO 65 CO 0.17 0.98 0.00 0.45 -0.21 0.00 0.00 178.00 179.39 2i2r n SER 66 N -4.16 0.00 0.00 -2.05 2.88 -1.26 -4.73 113.62 104.30 2i2r n SER 66 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2i2r n SER 66 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2i2r n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2i2r n GLY 67 N -1.00 2.96 3.21 0.46 0.00 -1.20 -4.98 105.19 104.65 2i2r n GLY 67 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2i2r n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i2r s VAL 68 N -1.28 2.79 -0.45 1.61 -7.23 -1.26 -4.17 120.40 110.41 2i2r s VAL 68 Ca 0.00 -0.85 -0.19 0.00 -1.81 0.00 0.00 61.98 59.13 2i2r s VAL 68 Cb 0.00 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.66 2i2r s VAL 68 CO 0.00 0.36 0.57 -0.69 -0.31 0.00 0.00 175.10 175.02 2i2r s VAL 69 N 1.36 4.93 0.77 1.32 1.01 -0.79 -4.95 120.40 124.05 2i2r s VAL 69 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2i2r s VAL 69 Cb -0.15 -4.17 0.16 0.00 0.00 0.00 0.00 36.38 32.22 2i2r s VAL 69 CO -0.06 -0.58 1.06 -0.46 0.00 0.00 0.00 175.10 175.05 2i2r n ASN 70 N 6.01 1.22 0.06 3.32 6.94 -1.26 -2.21 115.26 129.33 2i2r n ASN 70 Ca -0.05 -2.08 -0.02 0.00 -0.02 0.00 0.00 54.58 52.41 2i2r n ASN 70 Cb 0.47 -0.70 0.23 0.00 -2.36 0.00 0.00 39.78 37.42 2i2r n ASN 70 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2i2r h GLU 71 N 0.00 0.37 -0.32 -3.83 4.81 -1.96 -1.61 114.58 112.03 2i2r h GLU 71 Ca -0.35 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 2i2r h GLU 71 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2i2r h GLU 71 CO 0.35 0.63 0.07 -0.44 -0.73 0.00 0.00 179.01 178.90 2i2r h ASP 72 N 0.32 0.50 -0.64 1.04 5.19 -1.98 0.19 116.42 121.04 2i2r h ASP 72 Ca 0.04 -0.24 0.02 0.00 -0.62 0.00 0.00 57.03 56.23 2i2r h ASP 72 Cb 0.69 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.03 2i2r h ASP 72 CO 0.05 0.61 0.41 0.71 -3.12 0.00 0.00 179.24 177.90 2i2r h THR 73 N 0.37 1.13 -0.43 0.35 1.35 -1.87 -2.04 112.91 111.76 2i2r h THR 73 Ca 0.10 -0.28 0.08 0.00 -0.55 0.00 0.00 66.41 65.76 2i2r h THR 73 Cb 0.31 0.23 -0.08 0.00 -1.73 0.00 0.00 68.15 66.88 2i2r h THR 73 CO 0.00 0.15 -0.08 0.15 -0.25 0.00 0.00 175.52 175.49 2i2r h PHE 74 N 0.82 -0.18 0.77 4.73 3.04 -0.51 0.28 116.94 125.89 2i2r h PHE 74 Ca 0.24 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.20 2i2r h PHE 74 Cb -0.04 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 2i2r h PHE 74 CO -0.04 -0.16 -0.47 0.87 -2.02 0.00 0.00 178.31 176.49 2i2r h LYS 75 N 0.02 -1.11 0.00 1.11 1.79 -0.46 -3.12 116.57 114.79 2i2r h LYS 75 Ca 0.21 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2i2r h LYS 75 Cb 0.31 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2i2r h LYS 75 CO -0.42 -0.74 0.00 -0.56 -1.08 0.00 0.00 179.45 176.65 2i2r h GLN 76 N -1.16 0.00 0.00 3.15 3.07 -1.13 0.12 115.11 119.16 2i2r h GLN 76 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 2i2r h GLN 76 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 2i2r h GLN 76 CO 0.11 0.00 0.00 0.82 0.09 0.00 0.00 178.83 179.85 2i2r h ILE 77 N 0.00 0.00 0.00 1.86 2.04 -0.39 -2.92 117.51 118.10 2i2r h ILE 77 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2i2r h ILE 77 Cb 0.33 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2i2r h ILE 77 CO 0.00 0.00 -1.31 -1.22 0.00 0.00 0.00 178.15 175.62 2i2r n TYR 78 N -2.85 0.00 -0.34 1.37 4.02 -0.02 -4.34 117.16 114.99 2i2r n TYR 78 Ca 0.01 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 58.19 2i2r n TYR 78 Cb 0.26 -0.20 0.55 0.00 -0.02 0.00 0.00 39.34 39.93 2i2r n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2i2r h ALA 79 N 2.14 2.15 0.09 -0.72 0.00 -1.22 0.12 119.26 121.83 2i2r h ALA 79 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2i2r h ALA 79 Cb 0.62 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2i2r h ALA 79 CO 0.00 -0.84 -0.05 1.96 0.00 0.00 0.00 179.25 180.33 2i2r h GLN 80 N 0.16 -0.12 -0.07 0.00 7.50 -1.76 -3.36 115.11 117.46 2i2r h GLN 80 Ca 0.79 0.01 0.01 0.00 0.50 0.00 0.00 58.65 59.96 2i2r h GLN 80 Cb 2.03 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 29.57 2i2r h GLN 80 CO -0.64 0.40 -0.03 1.19 -1.50 0.00 0.00 178.83 178.25 2i2r n PHE 81 N -4.86 0.01 -4.34 2.96 0.99 0.42 -4.08 117.46 108.56 2i2r n PHE 81 Ca -0.08 0.09 -0.22 0.00 -0.00 0.00 0.00 57.45 57.24 2i2r n PHE 81 Cb 0.29 -0.53 -0.13 0.00 -1.00 0.00 0.00 39.48 38.11 2i2r n PHE 81 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 2i2r s PHE 82 N -5.07 1.52 0.00 1.38 -0.00 -1.23 -5.12 117.98 109.45 2i2r s PHE 82 Ca -0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 56.93 56.52 2i2r s PHE 82 Cb 0.02 -0.87 0.00 0.00 -0.00 0.00 0.00 43.02 42.17 2i2r s PHE 82 CO 0.05 0.11 0.00 -0.35 -0.00 0.00 0.00 175.22 175.03 2i2r n PRO 83 N 1.48 0.00 -2.89 1.99 -0.04 -1.26 -4.28 135.00 130.00 2i2r n PRO 83 Ca -0.19 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 2i2r n PRO 83 Cb 0.54 -0.36 0.01 0.00 -0.04 0.00 0.00 33.50 33.64 2i2r n PRO 83 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2i2r n HIS 84 N 0.00 2.50 -4.47 0.54 1.44 -1.26 -4.94 115.22 109.03 2i2r n HIS 84 Ca 0.00 -2.66 -0.22 0.00 -2.01 0.00 0.00 57.72 52.83 2i2r n HIS 84 Cb 0.00 -1.19 -0.11 0.00 0.12 0.00 0.00 29.99 28.82 2i2r n HIS 84 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2i2r s GLY 85 N -1.72 2.13 -0.26 -1.39 0.00 -1.26 -4.85 107.32 99.96 2i2r s GLY 85 Ca 0.35 -2.09 0.01 0.00 0.00 0.00 0.00 44.72 42.99 2i2r s GLY 85 CO 0.02 -1.85 -0.04 -0.35 0.00 0.00 0.00 173.10 170.88 2i2r s ASP 86 N -3.52 4.07 -0.17 1.64 -1.08 -0.34 -4.94 116.67 112.33 2i2r s ASP 86 Ca 0.36 -1.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.17 2i2r s ASP 86 Cb 0.09 -1.27 0.75 0.00 -1.46 0.00 0.00 42.92 41.03 2i2r s ASP 86 CO 0.16 -0.26 1.66 0.00 0.52 0.00 0.00 175.17 177.24 2i2r n ALA 87 N 4.60 3.49 0.04 3.66 0.00 -1.26 -2.29 120.51 128.74 2i2r n ALA 87 Ca -0.09 -1.70 -0.11 0.00 0.00 0.00 0.00 53.44 51.54 2i2r n ALA 87 Cb 0.43 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2i2r n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2i2r h SER 88 N 3.92 -0.88 -0.44 0.00 0.87 -1.91 -1.19 113.55 113.92 2i2r h SER 88 Ca 0.00 0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2i2r h SER 88 Cb 1.69 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2i2r h SER 88 CO 0.36 -0.35 -0.16 0.71 -0.53 0.00 0.00 176.83 176.86 2i2r h THR 89 N -0.41 1.27 -0.51 2.23 1.35 -1.87 -3.03 112.91 111.94 2i2r h THR 89 Ca 0.08 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 2i2r h THR 89 Cb 0.52 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2i2r h THR 89 CO -0.28 0.45 0.27 0.22 -0.25 0.00 0.00 175.52 175.93 2i2r h TYR 90 N 0.82 0.71 -0.97 4.73 3.20 -1.68 -2.86 116.97 120.92 2i2r h TYR 90 Ca 0.12 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.28 2i2r h TYR 90 Cb 0.71 -0.22 -0.16 0.00 1.54 0.00 0.00 36.73 38.60 2i2r h TYR 90 CO 0.04 0.54 0.41 0.00 -1.64 0.00 0.00 178.16 177.51 2i2r h ALA 91 N 1.11 1.72 -0.41 1.82 0.00 -1.09 0.22 119.26 122.64 2i2r h ALA 91 Ca 0.18 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 2i2r h ALA 91 Cb 0.07 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2i2r h ALA 91 CO -0.03 -0.62 0.18 1.25 0.00 0.00 0.00 179.25 180.03 2i2r h HIS 92 N 0.19 0.61 -0.36 0.00 -0.00 -1.50 0.82 115.15 114.92 2i2r h HIS 92 Ca 0.69 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 60.86 2i2r h HIS 92 Cb 1.59 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.81 2i2r h HIS 92 CO -0.14 0.53 -0.43 1.88 -0.00 0.00 0.00 177.93 179.77 2i2r h TYR 93 N 0.52 1.12 -0.87 5.26 -1.99 -0.94 -2.44 116.97 117.63 2i2r h TYR 93 Ca 0.14 -0.35 -0.02 0.00 2.00 0.00 0.00 58.73 60.49 2i2r h TYR 93 Cb 0.16 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 2i2r h TYR 93 CO -0.00 1.19 0.47 1.25 -0.00 0.00 0.00 178.16 181.06 2i2r h LEU 94 N 0.74 1.10 0.83 3.88 5.85 -0.54 -2.52 115.31 124.65 2i2r h LEU 94 Ca 0.05 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 2i2r h LEU 94 Cb 1.03 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.79 2i2r h LEU 94 CO 0.10 0.89 -0.40 0.15 -0.34 0.00 0.00 178.44 178.84 2i2r h PHE 95 N 1.22 -1.04 -0.12 1.25 3.57 -0.46 -2.72 116.94 118.65 2i2r h PHE 95 Ca 0.31 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2i2r h PHE 95 Cb 0.04 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2i2r h PHE 95 CO 0.01 -0.64 0.00 0.27 -2.23 0.00 0.00 178.31 175.72 2i2r n ASN 96 N -5.17 1.97 0.09 0.41 0.23 -0.95 -0.62 115.26 111.23 2i2r n ASN 96 Ca -0.14 -2.19 -0.13 0.00 -0.53 0.00 0.00 54.58 51.59 2i2r n ASN 96 Cb 0.44 -0.54 -0.12 0.00 -2.08 0.00 0.00 39.78 37.49 2i2r n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i2r h ALA 97 N 2.42 0.21 -3.00 -2.53 0.00 -1.12 -3.44 119.26 111.81 2i2r h ALA 97 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2i2r h ALA 97 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2i2r h ALA 97 CO 0.10 1.03 0.00 1.19 0.00 0.00 0.00 179.25 181.57 2i2r n PHE 98 N -3.51 0.00 -2.75 0.00 3.01 0.21 -4.69 117.46 109.74 2i2r n PHE 98 Ca -0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.33 2i2r n PHE 98 Cb 0.97 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.43 2i2r n PHE 98 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2i2r n ASP 99 N 0.00 -1.08 0.07 4.37 9.92 -1.23 -4.82 116.55 123.78 2i2r n ASP 99 Ca 0.00 0.16 -0.01 0.00 -0.53 0.00 0.00 54.79 54.41 2i2r n ASP 99 Cb 0.00 -1.04 0.26 0.00 -0.64 0.00 0.00 41.12 39.70 2i2r n ASP 99 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2i2r h THR 100 N -0.15 1.26 0.00 -3.53 2.02 -1.92 0.26 112.91 110.84 2i2r h THR 100 Ca -0.11 -1.22 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 2i2r h THR 100 Cb 1.00 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 2i2r h THR 100 CO 0.16 0.37 -0.36 0.74 0.37 0.00 0.00 175.52 176.81 2i2r h THR 101 N 0.29 0.95 -5.79 3.16 2.02 -1.95 -3.48 112.91 108.11 2i2r h THR 101 Ca 0.04 -1.39 -0.38 0.00 0.77 0.00 0.00 66.41 65.45 2i2r h THR 101 Cb 0.63 1.83 0.15 0.00 -1.74 0.00 0.00 68.15 69.01 2i2r h THR 101 CO 0.05 0.35 -0.71 0.00 0.37 0.00 0.00 175.52 175.57 2i2r n GLN 102 N -3.66 -7.49 -1.01 6.66 1.13 0.91 -4.94 117.38 108.98 2i2r n GLN 102 Ca -0.01 0.83 -0.13 0.00 -1.94 0.00 0.00 57.00 55.75 2i2r n GLN 102 Cb 0.46 -5.87 0.19 0.00 0.11 0.00 0.00 30.24 25.13 2i2r n GLN 102 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2i2r n THR 103 N -4.71 2.85 0.00 5.09 5.66 -1.26 -4.95 114.28 116.95 2i2r n THR 103 Ca -0.09 -2.42 0.00 0.00 -3.05 0.00 0.00 64.05 58.49 2i2r n THR 103 Cb 0.60 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2i2r n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2i2r n GLY 104 N -1.13 1.18 3.19 1.09 0.00 -1.26 -4.89 105.19 103.37 2i2r n GLY 104 Ca 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 2i2r n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2i2r s SER 105 N 0.00 0.98 -0.34 1.61 0.15 -1.26 -4.98 113.70 109.86 2i2r s SER 105 Ca 0.00 -1.10 -0.14 0.00 0.70 0.00 0.00 55.95 55.41 2i2r s SER 105 Cb 0.00 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 2i2r s SER 105 CO 0.00 -0.56 0.31 0.68 1.20 0.00 0.00 173.24 174.87 2i2r s VAL 106 N -3.73 5.22 0.64 4.45 -7.23 -0.94 -4.87 120.40 113.95 2i2r s VAL 106 Ca 0.18 -0.06 -0.09 0.00 -1.81 0.00 0.00 61.98 60.20 2i2r s VAL 106 Cb 0.06 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.23 2i2r s VAL 106 CO -0.01 -0.05 1.00 -1.59 -0.31 0.00 0.00 175.10 174.13 2i2r s LYS 107 N 1.89 2.97 0.22 4.82 -2.85 -1.26 -1.88 119.74 123.64 2i2r s LYS 107 Ca 0.09 0.28 -0.08 0.00 -1.00 0.00 0.00 55.97 55.27 2i2r s LYS 107 Cb -0.17 -2.14 0.30 0.00 -2.06 0.00 0.00 37.83 33.75 2i2r s LYS 107 CO 0.11 -0.83 1.80 0.35 0.10 0.00 0.00 175.35 176.88 2i2r h PHE 108 N -0.40 0.69 -0.70 1.78 3.57 -1.99 -2.14 116.94 117.76 2i2r h PHE 108 Ca -0.45 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.16 2i2r h PHE 108 Cb 1.25 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 2i2r h PHE 108 CO 0.50 0.30 0.46 1.05 -2.23 0.00 0.00 178.31 178.39 2i2r h GLU 109 N 0.67 0.60 0.34 1.11 9.09 -1.96 0.78 114.58 125.21 2i2r h GLU 109 Ca 0.33 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.69 2i2r h GLU 109 Cb 0.27 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2i2r h GLU 109 CO -0.22 0.40 -0.16 -0.44 0.05 0.00 0.00 179.01 178.63 2i2r h ASP 110 N 0.62 -0.39 -0.88 3.06 3.32 -1.78 -2.26 116.42 118.10 2i2r h ASP 110 Ca 0.32 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.52 2i2r h ASP 110 Cb 0.43 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 2i2r h ASP 110 CO -0.11 -0.24 0.45 0.15 -1.72 0.00 0.00 179.24 177.77 2i2r h PHE 111 N -0.51 0.78 0.06 4.55 3.57 -0.82 -0.93 116.94 123.63 2i2r h PHE 111 Ca -0.05 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 2i2r h PHE 111 Cb 0.39 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2i2r h PHE 111 CO -0.04 0.14 -1.06 -0.39 -2.23 0.00 0.00 178.31 174.73 2i2r h VAL 112 N 0.59 1.51 0.41 1.41 -1.51 -0.90 -2.46 116.25 115.29 2i2r h VAL 112 Ca 0.50 -2.87 -0.01 0.00 -1.23 0.00 0.00 66.70 63.09 2i2r h VAL 112 Cb 0.78 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.63 2i2r h VAL 112 CO -0.40 0.84 -0.27 0.74 -1.23 0.00 0.00 177.57 177.25 2i2r h THR 113 N 0.10 0.45 -0.98 7.19 2.02 -1.06 0.32 112.91 120.95 2i2r h THR 113 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.25 2i2r h THR 113 Cb 1.75 0.45 -0.16 0.00 -1.74 0.00 0.00 68.15 68.44 2i2r h THR 113 CO 0.17 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.68 2i2r h ALA 114 N -0.11 0.18 -0.16 6.16 0.00 -1.22 0.35 119.26 124.46 2i2r h ALA 114 Ca -0.04 0.28 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2i2r h ALA 114 Cb 0.54 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2i2r h ALA 114 CO 0.03 -0.61 -0.46 -0.07 0.00 0.00 0.00 179.25 178.14 2i2r h LEU 115 N -0.01 0.42 -1.10 0.00 3.38 -1.19 0.36 115.31 117.17 2i2r h LEU 115 Ca 0.35 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2i2r h LEU 115 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2i2r h LEU 115 CO -0.98 0.82 -0.04 -1.28 0.09 0.00 0.00 178.44 177.05 2i2r h SER 116 N 0.32 0.56 0.14 -0.43 0.87 0.29 0.64 113.55 115.94 2i2r h SER 116 Ca 0.02 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2i2r h SER 116 Cb 0.93 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2i2r h SER 116 CO 0.08 0.66 -0.07 0.40 -0.53 0.00 0.00 176.83 177.37 2i2r h ILE 117 N 0.56 0.94 -0.05 2.23 2.04 0.06 -1.06 117.51 122.22 2i2r h ILE 117 Ca 0.11 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2i2r h ILE 117 Cb 0.41 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2i2r h ILE 117 CO 0.02 0.24 -0.10 -0.07 0.00 0.00 0.00 178.15 178.24 2i2r h LEU 118 N -0.83 0.07 0.00 1.44 4.07 -0.71 -0.52 115.31 118.83 2i2r h LEU 118 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2i2r h LEU 118 Cb 0.54 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2i2r h LEU 118 CO 0.03 0.18 -1.74 0.18 -1.08 0.00 0.00 178.44 176.01 2i2r n LEU 119 N -4.38 0.10 0.00 1.67 4.77 0.20 -4.79 117.00 114.57 2i2r n LEU 119 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2i2r n LEU 119 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2i2r n LEU 119 CO 0.36 0.03 -0.14 0.54 -1.33 0.00 0.00 177.39 176.84 2i2r n ARG 120 N -2.06 1.69 -0.61 3.23 5.12 -0.63 -4.36 116.66 119.04 2i2r n ARG 120 Ca -0.03 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.59 2i2r n ARG 120 Cb 0.46 -0.64 0.20 0.00 -1.16 0.00 0.00 32.46 31.32 2i2r n ARG 120 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2r n GLY 121 N 1.11 -2.12 3.73 -0.13 0.00 -0.21 -4.98 105.19 102.59 2i2r n GLY 121 Ca 0.00 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2i2r n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2i2r s THR 122 N -2.34 2.57 0.16 2.61 -1.32 -1.26 -4.72 115.64 111.34 2i2r s THR 122 Ca 0.61 0.27 -0.19 0.00 -1.21 0.00 0.00 61.69 61.17 2i2r s THR 122 Cb -0.19 -2.77 0.08 0.00 -1.51 0.00 0.00 72.50 68.10 2i2r s THR 122 CO 0.65 -0.17 1.65 0.58 -2.21 0.00 0.00 174.62 175.13 2i2r h VAL 123 N -0.37 0.52 -0.67 5.08 2.07 -1.94 0.18 116.25 121.13 2i2r h VAL 123 Ca -0.47 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.19 2i2r h VAL 123 Cb 1.28 0.52 -0.13 0.00 -1.52 0.00 0.00 31.29 31.44 2i2r h VAL 123 CO 0.50 0.00 -0.17 -0.74 0.02 0.00 0.00 177.57 177.19 2i2r h HIS 124 N -0.09 -0.35 -0.56 1.57 -0.00 -1.98 0.27 115.15 114.01 2i2r h HIS 124 Ca 0.18 0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 2i2r h HIS 124 Cb 0.35 0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 28.00 2i2r h HIS 124 CO -0.37 -0.29 0.17 0.93 -0.00 0.00 0.00 177.93 178.37 2i2r h GLU 125 N 0.00 0.88 -0.30 5.26 5.08 -1.21 0.26 114.58 124.56 2i2r h GLU 125 Ca 0.32 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2i2r h GLU 125 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2i2r h GLU 125 CO -0.69 0.80 -0.37 0.87 -1.00 0.00 0.00 179.01 178.62 2i2r h LYS 126 N 0.79 0.69 -0.11 2.33 1.57 0.03 -1.85 116.57 120.03 2i2r h LYS 126 Ca 0.18 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 2i2r h LYS 126 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2i2r h LYS 126 CO -0.01 0.95 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.39 2i2r h LEU 127 N 0.57 0.52 -1.65 2.94 3.38 -0.16 -2.06 115.31 118.86 2i2r h LEU 127 Ca 0.05 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 2i2r h LEU 127 Cb 0.90 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2i2r h LEU 127 CO 0.08 1.04 0.13 -0.09 0.09 0.00 0.00 178.44 179.68 2i2r h ARG 128 N 0.03 0.35 -0.34 1.13 2.43 -0.45 -0.58 114.38 116.96 2i2r h ARG 128 Ca -0.01 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 2i2r h ARG 128 Cb 0.99 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2i2r h ARG 128 CO 0.08 0.28 0.03 2.35 -1.51 0.00 0.00 179.97 181.20 2i2r h TRP 129 N 0.36 0.61 -0.64 2.20 7.01 -0.99 -1.82 115.95 122.68 2i2r h TRP 129 Ca 0.09 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 2i2r h TRP 129 Cb 0.04 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 2i2r h TRP 129 CO 0.00 0.66 0.12 1.15 -2.79 0.00 0.00 178.44 177.58 2i2r h THR 130 N 0.39 1.26 -0.80 2.65 2.02 -0.63 -2.67 112.91 115.12 2i2r h THR 130 Ca 0.10 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2i2r h THR 130 Cb 0.39 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 2i2r h THR 130 CO 0.01 0.37 0.51 0.15 0.37 0.00 0.00 175.52 176.92 2i2r h PHE 131 N 0.97 1.04 0.00 3.16 3.57 -0.79 -1.56 116.94 123.33 2i2r h PHE 131 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2i2r h PHE 131 Cb 0.39 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2i2r h PHE 131 CO 0.03 0.68 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.60 2i2r h ASN 132 N 1.10 0.00 -0.28 0.41 2.35 -1.04 0.96 115.58 119.08 2i2r h ASN 132 Ca 0.29 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 2i2r h ASN 132 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2i2r h ASN 132 CO -0.06 0.27 -0.32 0.25 -1.65 0.00 0.00 177.43 175.92 2i2r h LEU 133 N 0.00 0.76 -0.39 1.61 5.85 -0.99 -3.24 115.31 118.90 2i2r h LEU 133 Ca -0.00 -0.49 -0.18 0.00 0.84 0.00 0.00 57.88 58.05 2i2r h LEU 133 Cb 0.59 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2i2r h LEU 133 CO 0.04 1.10 -0.56 1.88 -0.34 0.00 0.00 178.44 180.56 2i2r h TYR 134 N 0.45 0.92 -0.74 1.25 0.05 -0.55 -3.36 116.97 114.99 2i2r h TYR 134 Ca 0.04 -0.33 -0.48 0.00 0.05 0.00 0.00 58.73 58.01 2i2r h TYR 134 Cb 0.90 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.41 2i2r h TYR 134 CO 0.07 1.12 1.45 0.34 -1.05 0.00 0.00 178.16 180.09 2i2r s ASP 135 N -6.94 5.86 0.10 3.88 2.15 0.26 -4.73 116.67 117.25 2i2r s ASP 135 Ca -0.09 -1.71 -0.25 0.00 0.43 0.00 0.00 52.55 50.92 2i2r s ASP 135 Cb 0.11 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 40.04 2i2r s ASP 135 CO 0.87 -2.16 1.68 0.40 -0.17 0.00 0.00 175.17 175.79 2i2r h ILE 136 N 6.27 0.66 -0.12 4.11 2.04 -1.79 -2.90 117.51 125.78 2i2r h ILE 136 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2i2r h ILE 136 Cb 0.94 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2i2r h ILE 136 CO 1.33 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 179.02 2i2r n ASN 137 N -5.27 1.35 -3.40 1.72 2.04 -1.26 -4.94 115.26 105.50 2i2r n ASN 137 Ca -0.07 -2.09 -0.32 0.00 -0.44 0.00 0.00 54.58 51.66 2i2r n ASN 137 Cb 0.19 -0.34 0.03 0.00 -2.53 0.00 0.00 39.78 37.13 2i2r n ASN 137 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2i2r n LYS 138 N 0.02 -1.98 0.00 -3.83 4.01 -1.09 -4.96 118.16 110.32 2i2r n LYS 138 Ca 0.05 1.51 0.00 0.00 -0.51 0.00 0.00 58.31 59.36 2i2r n LYS 138 Cb 0.29 -2.82 0.00 0.00 -0.51 0.00 0.00 35.03 31.99 2i2r n LYS 138 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2i2r n ASP 139 N -0.42 0.00 -0.08 4.39 5.68 -1.26 -5.03 116.55 119.83 2i2r n ASP 139 Ca -0.06 -1.00 -0.01 0.00 -0.50 0.00 0.00 54.79 53.22 2i2r n ASP 139 Cb 0.64 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.62 2i2r n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2i2r n GLY 140 N 0.00 0.49 2.99 6.12 0.00 -1.26 -5.00 105.19 108.53 2i2r n GLY 140 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 2i2r n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i2r s TYR 141 N -1.95 1.16 -0.23 1.61 4.12 -1.26 -3.98 117.35 116.82 2i2r s TYR 141 Ca 0.00 -0.38 -0.05 0.00 0.02 0.00 0.00 57.07 56.66 2i2r s TYR 141 Cb 0.00 -0.88 -0.01 0.00 -1.52 0.00 0.00 41.96 39.55 2i2r s TYR 141 CO 0.00 -0.21 -0.00 0.42 0.02 0.00 0.00 175.55 175.78 2i2r s ILE 142 N 0.59 3.69 0.22 2.71 1.01 -0.49 -4.73 121.20 124.21 2i2r s ILE 142 Ca -0.11 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.23 2i2r s ILE 142 Cb -0.14 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2i2r s ILE 142 CO 0.02 0.38 -0.10 0.54 0.00 0.00 0.00 174.94 175.77 2i2r s ASN 143 N 1.52 4.15 0.27 3.58 4.22 -1.26 -2.02 114.94 125.40 2i2r s ASN 143 Ca 0.06 -0.69 -0.05 0.00 -2.14 0.00 0.00 52.86 50.04 2i2r s ASN 143 Cb -0.15 -0.64 0.53 0.00 1.28 0.00 0.00 41.25 42.27 2i2r s ASN 143 CO -0.01 0.07 1.59 0.07 -2.04 0.00 0.00 177.10 176.78 2i2r h LYS 144 N 2.60 0.03 -0.86 3.55 5.09 -2.00 0.19 116.57 125.17 2i2r h LYS 144 Ca -0.45 -0.00 0.13 0.00 0.09 0.00 0.00 60.65 60.42 2i2r h LYS 144 Cb 1.22 -0.01 -0.14 0.00 0.10 0.00 0.00 32.23 33.41 2i2r h LYS 144 CO 0.56 0.02 -0.34 0.39 -2.09 0.00 0.00 179.45 177.98 2i2r n GLU 145 N -5.49 -0.21 0.06 0.07 -0.58 -1.26 -1.75 120.64 111.48 2i2r n GLU 145 Ca 0.17 1.32 0.11 0.00 -0.42 0.00 0.00 57.16 58.35 2i2r n GLU 145 Cb 0.56 -1.97 -0.05 0.00 -0.57 0.00 0.00 31.44 29.42 2i2r n GLU 145 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2i2r n GLU 146 N -5.26 0.59 -0.11 3.49 0.28 0.63 -3.45 120.64 116.81 2i2r n GLU 146 Ca 0.09 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2i2r n GLU 146 Cb 0.34 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.47 2i2r n GLU 146 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 2i2r h MET 147 N 0.00 0.67 -0.53 3.44 4.05 -1.19 -2.76 114.93 118.61 2i2r h MET 147 Ca 0.00 -0.30 0.10 0.00 -0.28 0.00 0.00 59.70 59.22 2i2r h MET 147 Cb 0.98 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.65 2i2r h MET 147 CO 0.00 0.89 -0.24 0.52 0.23 0.00 0.00 176.91 178.32 2i2r h MET 148 N 0.43 -0.11 -0.46 0.39 2.86 -1.44 -1.22 114.93 115.38 2i2r h MET 148 Ca 0.07 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 2i2r h MET 148 Cb 0.71 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.29 2i2r h MET 148 CO 0.05 -0.07 -0.27 -0.44 1.06 0.00 0.00 176.91 177.24 2i2r h ASP 149 N -0.11 -0.93 0.12 1.22 3.45 -1.57 -0.60 116.42 118.01 2i2r h ASP 149 Ca 0.24 0.19 0.01 0.00 0.43 0.00 0.00 57.03 57.90 2i2r h ASP 149 Cb 0.49 0.47 -0.02 0.00 -0.56 0.00 0.00 39.33 39.71 2i2r h ASP 149 CO -0.60 -0.28 -0.14 0.40 -1.57 0.00 0.00 179.24 177.04 2i2r h ILE 150 N -0.17 0.68 -0.17 0.35 1.08 -1.08 0.17 117.51 118.36 2i2r h ILE 150 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.66 2i2r h ILE 150 Cb 0.51 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2i2r h ILE 150 CO -0.56 0.00 0.05 0.58 -0.69 0.00 0.00 178.15 177.53 2i2r h VAL 151 N -0.30 1.18 -0.63 1.67 2.07 -1.01 0.05 116.25 119.28 2i2r h VAL 151 Ca 0.01 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.03 2i2r h VAL 151 Cb 0.30 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2i2r h VAL 151 CO -0.05 0.18 0.31 0.11 0.02 0.00 0.00 177.57 178.13 2i2r h LYS 152 N 0.10 0.54 -0.39 1.57 1.57 -1.05 0.66 116.57 119.58 2i2r h LYS 152 Ca 0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2i2r h LYS 152 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2i2r h LYS 152 CO -0.00 0.36 0.18 0.00 -0.57 0.00 0.00 179.45 179.41 2i2r h ALA 153 N 1.37 1.59 0.14 3.86 0.00 0.35 0.14 119.26 126.71 2i2r h ALA 153 Ca 0.30 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 2i2r h ALA 153 Cb 0.27 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.92 2i2r h ALA 153 CO -0.23 0.33 -0.82 0.82 0.00 0.00 0.00 179.25 179.36 2i2r h ILE 154 N 0.54 1.51 -0.79 0.00 2.04 -0.65 -2.88 117.51 117.29 2i2r h ILE 154 Ca 0.14 -2.54 0.17 0.00 1.00 0.00 0.00 64.86 63.63 2i2r h ILE 154 Cb 0.07 3.20 -0.11 0.00 -0.74 0.00 0.00 36.82 39.25 2i2r h ILE 154 CO -0.02 0.72 0.30 1.88 0.00 0.00 0.00 178.15 181.03 2i2r h TYR 155 N -0.36 0.50 -0.50 1.37 -1.99 -0.60 0.58 116.97 115.97 2i2r h TYR 155 Ca -0.14 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 2i2r h TYR 155 Cb 1.65 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 40.25 2i2r h TYR 155 CO 0.20 0.00 0.28 -0.44 -0.00 0.00 0.00 178.16 178.21 2i2r h ASP 156 N 0.40 0.61 -0.94 3.88 3.32 -0.81 0.14 116.42 123.02 2i2r h ASP 156 Ca 0.45 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.44 2i2r h ASP 156 Cb 0.76 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 2i2r h ASP 156 CO -0.46 0.51 0.62 -0.03 -1.72 0.00 0.00 179.24 178.16 2i2r h MET 157 N 0.66 1.23 0.00 3.56 1.85 -0.54 -0.90 114.93 120.79 2i2r h MET 157 Ca 0.18 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.17 2i2r h MET 157 Cb 0.02 -0.28 -0.00 0.00 0.43 0.00 0.00 31.60 31.77 2i2r h MET 157 CO -0.03 0.82 -0.38 0.52 -0.40 0.00 0.00 176.91 177.44 2i2r h MET 158 N 1.27 0.00 0.00 0.39 2.86 -0.78 -3.31 114.93 115.36 2i2r h MET 158 Ca 0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 2i2r h MET 158 Cb -0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2i2r h MET 158 CO -0.08 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2i2r n GLY 159 N 1.66 0.11 0.36 8.32 0.00 0.46 -4.44 105.19 111.65 2i2r n GLY 159 Ca -0.07 -0.45 0.32 0.00 0.00 0.00 0.00 46.02 45.82 2i2r n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2r n ALA 160 N 0.00 1.08 0.71 4.61 0.00 -1.19 -0.13 120.51 125.59 2i2r n ALA 160 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 53.44 54.35 2i2r n ALA 160 Cb 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 2i2r n ALA 160 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2i2r n TYR 161 N -4.70 0.00 -0.07 0.00 -0.00 -1.26 -3.43 117.16 107.70 2i2r n TYR 161 Ca 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 58.23 2i2r n TYR 161 Cb 1.28 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.34 40.56 2i2r n TYR 161 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2i2r n THR 162 N -1.49 -0.11 -1.10 -3.48 5.66 0.82 -4.56 114.28 110.01 2i2r n THR 162 Ca 0.02 1.06 0.00 0.00 -3.05 0.00 0.00 64.05 62.09 2i2r n THR 162 Cb 0.29 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.69 2i2r n THR 162 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2i2r n TYR 163 N -3.19 0.00 0.00 1.09 0.18 -1.26 -5.05 117.16 108.92 2i2r n TYR 163 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2i2r n TYR 163 Cb 0.04 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 2i2r n TYR 163 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 2i2r n PRO 164 N 0.00 0.00 -3.63 -3.48 -0.02 -1.26 -5.05 135.00 121.55 2i2r n PRO 164 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 2i2r n PRO 164 Cb 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.43 2i2r n PRO 164 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2i2r s VAL 165 N 0.00 0.01 -0.45 -1.45 0.11 -1.25 -5.08 120.40 112.29 2i2r s VAL 165 Ca 0.00 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 58.87 2i2r s VAL 165 Cb 0.00 -0.85 -0.11 0.00 -1.53 0.00 0.00 36.38 33.89 2i2r s VAL 165 CO 0.00 -0.05 1.51 -0.11 -3.33 0.00 0.00 175.10 173.12 2i2r n LEU 166 N 1.86 -0.77 -1.23 2.54 7.94 -1.26 -3.21 117.00 122.87 2i2r n LEU 166 Ca -0.17 -1.67 0.00 0.00 -1.11 0.00 0.00 56.01 53.07 2i2r n LEU 166 Cb 0.56 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2i2r n LEU 166 CO 0.15 -2.27 -0.21 0.00 -1.11 0.00 0.00 177.39 173.95 2i2r n ALA 167 N 9.99 -2.58 -0.50 1.96 0.00 -1.22 -5.00 120.51 123.16 2i2r n ALA 167 Ca 0.21 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2i2r n ALA 167 Cb 0.46 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2i2r n ALA 167 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i2r n GLU 168 N 0.84 0.00 -4.27 0.00 1.02 -1.20 -4.81 120.64 112.23 2i2r n GLU 168 Ca 0.00 0.25 -0.29 0.00 -0.02 0.00 0.00 57.16 57.10 2i2r n GLU 168 Cb 0.00 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 2i2r n GLU 168 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2i2r s ASP 169 N -2.00 4.16 0.58 1.62 -1.08 -1.26 -5.12 116.67 113.57 2i2r s ASP 169 Ca 0.00 -0.49 -0.20 0.00 -0.52 0.00 0.00 52.55 51.34 2i2r s ASP 169 Cb 0.00 -0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 40.72 2i2r s ASP 169 CO 0.00 0.17 1.24 1.07 0.52 0.00 0.00 175.17 178.16 2i2r n THR 170 N 0.65 4.07 0.19 1.71 5.66 -1.26 -4.86 114.28 120.43 2i2r n THR 170 Ca -0.14 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.46 2i2r n THR 170 Cb 0.53 -1.48 0.51 0.00 -1.55 0.00 0.00 70.33 68.34 2i2r n THR 170 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2i2r h PRO 171 N 0.97 0.00 0.39 1.09 0.11 -1.97 -2.78 132.00 129.81 2i2r h PRO 171 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2i2r h PRO 171 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2i2r h PRO 171 CO 0.54 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.15 2i2r h ARG 172 N 0.00 -0.51 -0.11 1.05 3.08 -1.97 -2.56 114.38 113.37 2i2r h ARG 172 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2i2r h ARG 172 Cb 0.41 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2i2r h ARG 172 CO 0.00 -0.34 0.00 0.00 -1.07 0.00 0.00 179.97 178.56 2i2r n GLN 173 N -4.85 0.19 0.00 0.04 10.64 -1.05 -1.83 117.38 120.52 2i2r n GLN 173 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 2i2r n GLN 173 Cb 0.21 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 2i2r n GLN 173 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 2i2r n HIS 174 N 0.04 0.00 -0.22 2.61 -0.00 -1.16 -4.24 115.22 112.25 2i2r n HIS 174 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 2i2r n HIS 174 Cb 0.03 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.06 2i2r n HIS 174 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2i2r h VAL 175 N 0.00 1.26 -0.56 3.57 2.07 -0.93 -3.03 116.25 118.63 2i2r h VAL 175 Ca 0.00 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 2i2r h VAL 175 Cb 0.95 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2i2r h VAL 175 CO 0.00 0.41 0.27 0.44 0.02 0.00 0.00 177.57 178.71 2i2r h ASP 176 N 1.00 0.72 -0.66 0.57 3.32 -1.65 -0.13 116.42 119.59 2i2r h ASP 176 Ca 0.19 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2i2r h ASP 176 Cb 0.50 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2i2r h ASP 176 CO 0.02 0.64 0.17 -0.37 -1.72 0.00 0.00 179.24 177.98 2i2r h VAL 177 N 0.75 1.26 0.40 -1.35 -1.51 -1.73 -0.53 116.25 113.54 2i2r h VAL 177 Ca 0.19 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 2i2r h VAL 177 Cb 0.11 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 29.80 2i2r h VAL 177 CO -0.03 0.36 -0.39 0.15 -1.23 0.00 0.00 177.57 176.44 2i2r h PHE 178 N 1.02 -1.08 -0.47 5.19 3.04 -1.31 -2.40 116.94 120.94 2i2r h PHE 178 Ca 0.22 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.18 2i2r h PHE 178 Cb 0.35 0.42 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 2i2r h PHE 178 CO 0.03 -0.52 0.31 0.74 -2.02 0.00 0.00 178.31 176.84 2i2r h PHE 179 N -0.79 0.58 0.00 0.41 -1.00 -0.96 0.89 116.94 116.08 2i2r h PHE 179 Ca -0.05 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2i2r h PHE 179 Cb 0.68 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.04 2i2r h PHE 179 CO -0.20 0.36 0.00 1.04 -1.61 0.00 0.00 178.31 177.90 2i2r n GLN 180 N -4.77 0.09 -0.40 1.51 6.02 -0.21 -0.95 117.38 118.66 2i2r n GLN 180 Ca 0.02 0.39 0.06 0.00 -0.01 0.00 0.00 57.00 57.46 2i2r n GLN 180 Cb 0.03 -1.68 0.10 0.00 1.02 0.00 0.00 30.24 29.71 2i2r n GLN 180 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2i2r n LYS 181 N -1.85 0.88 0.00 -1.09 2.85 -0.76 -4.81 118.16 113.38 2i2r n LYS 181 Ca 0.02 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 2i2r n LYS 181 Cb 0.15 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 2i2r n LYS 181 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2i2r n MET 182 N -0.83 0.00 -2.21 -1.58 0.00 0.24 -4.98 117.12 107.75 2i2r n MET 182 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.45 2i2r n MET 182 Cb 0.71 -0.21 -0.04 0.00 0.00 0.00 0.00 33.22 33.69 2i2r n MET 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2i2r s ASP 183 N -4.31 5.58 0.08 6.12 2.15 -0.13 -4.66 116.67 121.50 2i2r s ASP 183 Ca 0.00 -0.35 -0.37 0.00 0.43 0.00 0.00 52.55 52.26 2i2r s ASP 183 Cb 0.00 -2.55 -0.18 0.00 -0.30 0.00 0.00 42.92 39.89 2i2r s ASP 183 CO 0.00 -2.26 1.56 0.50 -0.17 0.00 0.00 175.17 174.81 2i2r h LYS 184 N 12.25 -1.08 -0.00 4.34 3.64 -1.90 -3.23 116.57 130.60 2i2r h LYS 184 Ca -0.10 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2i2r h LYS 184 Cb 1.07 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2i2r h LYS 184 CO 1.26 -0.72 -0.12 0.27 -2.27 0.00 0.00 179.45 177.87 2i2r n ASN 185 N -5.60 0.37 -0.40 4.20 6.94 -1.26 -4.93 115.26 114.57 2i2r n ASN 185 Ca -0.13 -0.37 -0.01 0.00 -0.02 0.00 0.00 54.58 54.04 2i2r n ASN 185 Cb 0.49 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2i2r n ASN 185 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2i2r n LYS 186 N -1.10 -0.30 -0.17 -3.83 4.01 -1.22 -4.96 118.16 110.58 2i2r n LYS 186 Ca 0.13 0.06 0.09 0.00 -0.51 0.00 0.00 58.31 58.08 2i2r n LYS 186 Cb 0.29 -3.24 0.27 0.00 -0.51 0.00 0.00 35.03 31.84 2i2r n LYS 186 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2i2r n ASP 187 N 1.50 2.40 -0.07 4.39 3.85 -1.26 -4.92 116.55 122.44 2i2r n ASP 187 Ca -0.01 -1.89 -0.01 0.00 -0.71 0.00 0.00 54.79 52.17 2i2r n ASP 187 Cb 0.51 -0.23 -0.00 0.00 -1.35 0.00 0.00 41.12 40.05 2i2r n ASP 187 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2i2r n GLY 188 N 1.26 0.37 2.83 6.12 0.00 -1.26 -4.98 105.19 109.53 2i2r n GLY 188 Ca 0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2i2r n GLY 188 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2i2r s ILE 189 N -1.67 0.48 -0.26 -0.61 -1.16 -1.26 -4.41 121.20 112.31 2i2r s ILE 189 Ca 0.00 -0.01 -0.07 0.00 -0.51 0.00 0.00 60.65 60.06 2i2r s ILE 189 Cb 0.00 -0.57 -0.02 0.00 0.61 0.00 0.00 42.46 42.48 2i2r s ILE 189 CO 0.00 0.25 0.07 0.54 -2.81 0.00 0.00 174.94 172.98 2i2r s VAL 190 N 1.47 4.16 0.43 4.00 0.11 -0.86 -4.90 120.40 124.81 2i2r s VAL 190 Ca -0.02 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 58.76 2i2r s VAL 190 Cb -0.13 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 2i2r s VAL 190 CO -0.03 0.28 0.60 0.42 -3.33 0.00 0.00 175.10 173.04 2i2r s THR 191 N 1.58 3.31 0.14 5.04 -4.23 -1.26 -1.40 115.64 118.81 2i2r s THR 191 Ca 0.05 -0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2i2r s THR 191 Cb -0.16 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2i2r s THR 191 CO 0.03 -0.08 1.73 0.25 -0.54 0.00 0.00 174.62 176.01 2i2r h LEU 192 N 0.55 -0.03 -1.11 4.79 5.85 -1.99 0.75 115.31 124.12 2i2r h LEU 192 Ca -0.43 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2i2r h LEU 192 Cb 1.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 2i2r h LEU 192 CO 0.50 0.02 0.41 0.44 -0.34 0.00 0.00 178.44 179.47 2i2r h ASP 193 N 0.12 0.92 -0.61 1.25 3.45 -1.95 0.40 116.42 119.99 2i2r h ASP 193 Ca 0.11 -0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 2i2r h ASP 193 Cb 0.13 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 2i2r h ASP 193 CO -0.16 0.73 0.32 -0.08 -1.57 0.00 0.00 179.24 178.48 2i2r h GLU 194 N 1.04 0.87 -0.19 3.56 4.81 -1.69 -1.72 114.58 121.25 2i2r h GLU 194 Ca 0.26 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.17 2i2r h GLU 194 Cb 0.02 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.24 2i2r h GLU 194 CO -0.04 0.67 -0.71 0.35 -0.73 0.00 0.00 179.01 178.55 2i2r h PHE 195 N 0.84 1.06 0.87 0.92 3.57 -0.23 -2.07 116.94 121.89 2i2r h PHE 195 Ca 0.21 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 2i2r h PHE 195 Cb 0.07 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.64 2i2r h PHE 195 CO -0.01 1.27 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.86 2i2r h LEU 196 N 0.57 -0.99 -1.60 0.59 3.38 -0.15 -2.48 115.31 114.63 2i2r h LEU 196 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2i2r h LEU 196 Cb 1.33 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2i2r h LEU 196 CO 0.15 -0.64 0.02 -0.08 0.09 0.00 0.00 178.44 177.98 2i2r h GLU 197 N -1.29 0.27 -0.42 1.13 4.81 -1.42 -2.25 114.58 115.42 2i2r h GLU 197 Ca -0.12 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 2i2r h GLU 197 Cb 0.90 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2i2r h GLU 197 CO 0.20 0.28 -0.12 1.03 -0.73 0.00 0.00 179.01 179.67 2i2r h SER 198 N 0.27 0.74 0.58 1.04 0.87 -1.35 -2.94 113.55 112.77 2i2r h SER 198 Ca 0.07 -0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.12 2i2r h SER 198 Cb 0.15 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2i2r h SER 198 CO 0.00 0.88 -1.35 0.00 -0.53 0.00 0.00 176.83 175.84 2i2r h GLN 200 N 0.07 0.42 0.00 0.00 1.08 -1.42 -1.06 115.11 114.19 2i2r h GLN 200 Ca -0.17 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2i2r h GLN 200 Cb 1.98 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 29.31 2i2r h GLN 200 CO 0.18 0.28 -0.01 1.49 -0.95 0.00 0.00 178.83 179.82 2i2r h GLU 201 N 0.44 0.00 -5.04 1.46 4.81 -1.56 -3.41 114.58 111.28 2i2r h GLU 201 Ca 0.13 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.68 2i2r h GLU 201 Cb -0.01 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.20 2i2r h GLU 201 CO -0.03 0.01 0.64 0.34 -0.73 0.00 0.00 179.01 179.24 2i2r s ASP 202 N -5.66 6.46 0.36 1.04 -1.08 -0.40 -4.92 116.67 112.47 2i2r s ASP 202 Ca 0.00 -1.72 0.19 0.00 -0.52 0.00 0.00 52.55 50.50 2i2r s ASP 202 Cb 0.09 -2.38 1.25 0.00 -1.46 0.00 0.00 42.92 40.42 2i2r s ASP 202 CO 0.53 -1.15 1.61 0.44 0.52 0.00 0.00 175.17 177.13 2i2r h ASP 203 N 9.03 0.40 0.15 -0.34 3.32 -1.83 -2.48 116.42 124.67 2i2r h ASP 203 Ca -0.02 0.23 -0.36 0.00 0.02 0.00 0.00 57.03 56.90 2i2r h ASP 203 Cb 1.04 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2i2r h ASP 203 CO 1.11 -0.31 -1.87 0.78 -1.72 0.00 0.00 179.24 177.23 2i2r h ASN 204 N 0.13 0.51 0.00 6.45 2.35 -1.92 -2.98 115.58 120.12 2i2r h ASN 204 Ca 0.80 -0.95 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2i2r h ASN 204 Cb 2.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.23 2i2r h ASN 204 CO -0.69 1.83 0.19 0.40 -1.65 0.00 0.00 177.43 177.50 2i2r h ILE 205 N 0.07 0.00 0.13 2.81 5.03 -1.76 -2.11 117.51 121.68 2i2r h ILE 205 Ca -0.39 0.00 -0.28 0.00 -0.12 0.00 0.00 64.86 64.08 2i2r h ILE 205 Cb 2.06 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.63 2i2r h ILE 205 CO 0.13 0.00 -1.40 0.24 -0.68 0.00 0.00 178.15 176.44 2i2r h MET 206 N 0.00 0.27 -0.34 2.37 2.86 -1.51 -3.14 114.93 115.44 2i2r h MET 206 Ca 0.00 -0.46 -0.11 0.00 -2.06 0.00 0.00 59.70 57.07 2i2r h MET 206 Cb 0.38 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2i2r h MET 206 CO 0.00 1.22 -0.23 0.00 1.06 0.00 0.00 176.91 178.96 2i2r h ARG 207 N -0.26 0.67 -0.37 1.72 2.47 -1.27 -2.49 114.38 114.84 2i2r h ARG 207 Ca -0.29 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.16 2i2r h ARG 207 Cb 1.79 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 30.06 2i2r h ARG 207 CO 0.08 0.84 0.20 1.03 0.56 0.00 0.00 179.97 182.68 2i2r h SER 208 N 0.59 0.44 1.19 7.04 0.87 -1.53 -2.78 113.55 119.36 2i2r h SER 208 Ca 0.08 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2i2r h SER 208 Cb 0.70 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2i2r h SER 208 CO 0.05 0.36 -0.13 0.18 -0.53 0.00 0.00 176.83 176.77 2i2r n LEU 209 N -4.44 0.56 -0.08 2.23 4.77 -0.95 -4.41 117.00 114.68 2i2r n LEU 209 Ca 0.02 0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 2i2r n LEU 209 Cb 0.10 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2i2r n LEU 209 CO 0.36 -0.09 -1.06 0.00 -1.33 0.00 0.00 177.39 175.26 2i2r n GLN 210 N -1.99 0.35 0.00 3.23 6.02 -1.07 -4.94 117.38 118.98 2i2r n GLN 210 Ca 0.06 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2i2r n GLN 210 Cb 0.40 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.57 2i2r n GLN 210 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2i2r n LEU 211 N -3.70 0.00 -4.57 1.08 7.99 -1.10 -4.57 117.00 112.13 2i2r n LEU 211 Ca -0.32 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.28 2i2r n LEU 211 Cb 0.73 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 44.01 2i2r n LEU 211 CO 0.02 0.00 1.74 0.12 -1.51 0.00 0.00 177.39 177.76 2i2r s PHE 212 N 0.00 1.46 0.28 -1.77 5.36 -1.26 -4.98 117.98 117.07 2i2r s PHE 212 Ca 0.00 0.93 -0.29 0.00 -0.96 0.00 0.00 56.93 56.61 2i2r s PHE 212 Cb 0.00 -3.93 -0.09 0.00 -0.34 0.00 0.00 43.02 38.66 2i2r s PHE 212 CO 0.00 -2.80 1.01 1.14 -1.46 0.00 0.00 175.22 173.11 2i2r s GLN 213 N 6.93 4.68 -0.30 10.12 -2.07 -1.26 -5.03 119.66 132.72 2i2r s GLN 213 Ca 0.84 1.59 0.00 0.00 -1.82 0.00 0.00 55.36 55.97 2i2r s GLN 213 Cb -0.19 -3.12 0.06 0.00 -1.09 0.00 0.00 33.01 28.67 2i2r s GLN 213 CO 0.28 0.31 -0.01 0.54 -1.32 0.00 0.00 175.29 175.09 2i2r s ASN 214 N -1.16 4.78 0.40 12.60 4.22 -1.26 -4.98 114.94 129.54 2i2r s ASN 214 Ca 0.45 -1.48 -0.27 0.00 -2.14 0.00 0.00 52.86 49.42 2i2r s ASN 214 Cb -0.27 -1.66 -0.10 0.00 1.28 0.00 0.00 41.25 40.49 2i2r s ASN 214 CO 0.34 -0.28 1.40 0.55 -2.04 0.00 0.00 177.10 177.07 2i2r n VAL 215 N 4.52 2.28 0.00 3.54 3.14 -1.26 -5.25 118.33 125.30 2i2r n VAL 215 Ca -0.10 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 2i2r n VAL 215 Cb 0.43 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.40 2i2r n VAL 215 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17