#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 0.73 -0.50 0.99 5.85 -2.03 -2.94 115.31 117.41 2i2r h LEU 39 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2i2r h LEU 39 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2i2r h LEU 39 CO 0.00 0.88 0.00 -0.08 -0.34 0.00 0.00 178.44 178.90 2i2r h GLU 40 N 0.56 0.00 0.47 1.25 4.81 -2.01 -1.94 114.58 117.72 2i2r h GLU 40 Ca 0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2i2r h GLU 40 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2i2r h GLU 40 CO 0.03 0.00 -0.23 1.96 -0.73 0.00 0.00 179.01 180.04 2i2r h GLN 41 N 0.00 -0.61 -0.95 1.92 7.50 -1.99 -2.96 115.11 118.02 2i2r h GLN 41 Ca 0.00 0.04 0.19 0.00 0.50 0.00 0.00 58.65 59.38 2i2r h GLN 41 Cb 0.73 0.14 -0.08 0.00 0.05 0.00 0.00 27.48 28.32 2i2r h GLN 41 CO 0.00 -0.31 0.61 -0.07 -1.50 0.00 0.00 178.83 177.56 2i2r h LEU 42 N -0.95 0.59 -0.26 1.46 3.38 -1.31 0.44 115.31 118.66 2i2r h LEU 42 Ca -0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i2r h LEU 42 Cb 0.59 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2i2r h LEU 42 CO 0.11 0.24 0.16 -0.08 0.09 0.00 0.00 178.44 178.96 2i2r h GLU 43 N 0.59 0.36 0.47 1.13 4.81 -1.41 -1.07 114.58 119.45 2i2r h GLU 43 Ca 0.51 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 2i2r h GLU 43 Cb 1.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2i2r h GLU 43 CO -0.25 0.27 -0.23 0.00 -0.73 0.00 0.00 179.01 178.07 2i2r h ALA 44 N 1.07 -0.63 -0.05 2.92 0.00 -0.43 -3.33 119.26 118.81 2i2r h ALA 44 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2i2r h ALA 44 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2i2r h ALA 44 CO -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 179.25 178.56 2i2r n GLN 45 N -5.23 1.21 -4.16 0.00 10.64 0.12 -4.79 117.38 115.17 2i2r n GLN 45 Ca -0.10 -0.22 -0.15 0.00 -1.83 0.00 0.00 57.00 54.70 2i2r n GLN 45 Cb 0.30 -1.29 -0.07 0.00 -0.86 0.00 0.00 30.24 28.33 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 -1.55 0.00 -1.60 -0.39 -4.23 -0.41 -4.98 115.64 102.48 2i2r s THR 46 Ca 0.04 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 2i2r s THR 46 Cb 0.03 -2.52 0.33 0.00 1.34 0.00 0.00 72.50 71.68 2i2r s THR 46 CO 0.02 0.00 1.21 0.59 -0.54 0.00 0.00 174.62 175.90 2i2r n ASN 47 N -1.10 2.27 -4.89 3.99 5.03 -1.26 -4.78 115.26 114.53 2i2r n ASN 47 Ca 0.03 -2.13 -0.32 0.00 0.87 0.00 0.00 54.58 53.03 2i2r n ASN 47 Cb 0.63 -0.34 -0.05 0.00 -1.02 0.00 0.00 39.78 39.00 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 -1.62 3.48 0.67 3.10 0.08 -1.26 -5.07 117.98 117.35 2i2r s PHE 48 Ca 0.24 0.27 -0.10 0.00 0.12 0.00 0.00 56.93 57.46 2i2r s PHE 48 Cb 0.14 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2i2r s PHE 48 CO 0.13 0.60 1.04 0.95 -0.10 0.00 0.00 175.22 177.84 2i2r s THR 49 N -1.39 3.65 0.25 0.64 -4.23 -1.26 -4.55 115.64 108.75 2i2r s THR 49 Ca 0.30 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 2i2r s THR 49 Cb -0.13 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.42 2i2r s THR 49 CO 0.22 -0.63 1.80 0.11 -0.54 0.00 0.00 174.62 175.58 2i2r h LYS 50 N -0.49 0.74 -0.18 3.99 1.57 -1.93 0.14 116.57 120.41 2i2r h LYS 50 Ca -0.45 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 2i2r h LYS 50 Cb 1.25 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.34 2i2r h LYS 50 CO 0.63 0.49 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.76 2i2r h ARG 51 N 0.76 -0.16 0.16 3.15 2.43 -2.00 -1.77 114.38 116.94 2i2r h ARG 51 Ca 0.41 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2i2r h ARG 51 Cb 0.41 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2i2r h ARG 51 CO -0.26 -0.11 -0.08 0.93 -1.51 0.00 0.00 179.97 178.94 2i2r h GLU 52 N -0.17 -0.20 -0.97 0.20 5.08 -1.70 -2.81 114.58 114.02 2i2r h GLU 52 Ca 0.11 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.70 2i2r h GLU 52 Cb 0.33 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2i2r h GLU 52 CO -0.28 0.01 0.62 -0.07 -1.00 0.00 0.00 179.01 178.29 2i2r h LEU 53 N -0.39 0.51 -0.27 1.33 3.38 -0.86 -0.54 115.31 118.48 2i2r h LEU 53 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2i2r h LEU 53 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2i2r h LEU 53 CO 0.04 0.18 0.03 1.56 0.09 0.00 0.00 178.44 180.33 2i2r h GLN 54 N 0.50 0.45 -0.40 1.13 4.20 -1.07 0.79 115.11 120.71 2i2r h GLN 54 Ca 0.53 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 59.11 2i2r h GLN 54 Cb 1.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 2i2r h GLN 54 CO -0.26 0.58 0.23 0.28 -0.67 0.00 0.00 178.83 179.00 2i2r h VAL 55 N 0.25 1.14 -0.08 -0.54 2.07 -1.05 0.52 116.25 118.56 2i2r h VAL 55 Ca 0.08 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2i2r h VAL 55 Cb 0.35 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2i2r h VAL 55 CO 0.01 0.14 -0.04 -0.07 0.02 0.00 0.00 177.57 177.64 2i2r h LEU 56 N 0.53 -0.12 -0.64 2.57 3.38 -1.03 0.35 115.31 120.35 2i2r h LEU 56 Ca 0.14 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.20 2i2r h LEU 56 Cb 0.03 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2i2r h LEU 56 CO -0.03 -0.05 0.35 0.22 0.09 0.00 0.00 178.44 179.02 2i2r h TYR 57 N -0.03 0.64 -0.30 1.13 3.20 -0.35 0.81 116.97 122.07 2i2r h TYR 57 Ca 0.05 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 2i2r h TYR 57 Cb 0.09 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2i2r h TYR 57 CO -0.15 0.31 -0.04 0.00 -1.64 0.00 0.00 178.16 176.63 2i2r h ARG 58 N 0.65 0.48 0.77 1.82 3.08 -0.54 0.52 114.38 121.15 2i2r h ARG 58 Ca 0.28 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2i2r h ARG 58 Cb 0.18 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2i2r h ARG 58 CO -0.18 0.54 -0.37 0.78 -1.07 0.00 0.00 179.97 179.66 2i2r h GLY 59 N 0.83 -1.09 0.53 0.04 0.00 0.09 -2.93 103.07 100.55 2i2r h GLY 59 Ca 0.09 0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.86 2i2r h GLY 59 CO 0.02 -0.39 -0.18 -2.75 0.00 0.00 0.00 176.54 173.23 2i2r h PHE 60 N -1.06 -0.47 0.00 5.60 3.57 -0.39 -2.53 116.94 121.66 2i2r h PHE 60 Ca -0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2i2r h PHE 60 Cb 0.80 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2i2r h PHE 60 CO -0.02 -0.26 0.00 -0.22 -2.23 0.00 0.00 178.31 175.58 2i2r h LYS 61 N -0.28 0.00 0.02 1.11 3.11 -0.02 -0.80 116.57 119.71 2i2r h LYS 61 Ca 0.06 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.57 2i2r h LYS 61 Cb 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.54 2i2r h LYS 61 CO -0.19 0.00 -2.01 0.09 -2.81 0.00 0.00 179.45 174.53 2i2r n ASN 62 N -2.33 0.90 0.17 4.20 3.02 -0.98 -3.08 115.26 117.16 2i2r n ASN 62 Ca -0.01 0.22 0.05 0.00 -0.03 0.00 0.00 54.58 54.81 2i2r n ASN 62 Cb 0.08 0.10 0.21 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.01 0.00 -2.68 3.52 4.39 -0.86 -3.40 114.58 115.56 2i2r h GLU 63 Ca -0.41 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.14 2i2r h GLU 63 Cb 2.08 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 30.43 2i2r h GLU 63 CO 0.05 0.42 -0.44 0.00 -1.16 0.00 0.00 179.01 177.88 2i2r h PRO 65 N 8.17 1.06 0.00 0.00 0.11 -1.77 -3.17 132.00 136.39 2i2r h PRO 65 Ca -0.16 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2i2r h PRO 65 Cb 1.11 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2i2r h PRO 65 CO 0.14 1.00 0.00 0.45 -0.21 0.00 0.00 178.00 179.38 2i2r n SER 66 N -4.23 0.00 0.00 -2.05 2.88 -1.26 -4.72 113.62 104.24 2i2r n SER 66 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2i2r n SER 66 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.91 2.98 3.15 0.46 0.00 -1.20 -4.98 105.19 104.69 2i2r n GLY 67 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.29 2.28 -0.46 1.61 -7.23 -1.26 -4.18 120.40 109.86 2i2r s VAL 68 Ca 0.00 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 2i2r s VAL 68 Cb 0.00 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 35.01 2i2r s VAL 68 CO 0.00 0.52 0.56 -0.69 -0.31 0.00 0.00 175.10 175.18 2i2r s VAL 69 N 1.32 4.95 0.75 1.32 1.01 -0.88 -4.95 120.40 123.91 2i2r s VAL 69 Ca 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2i2r s VAL 69 Cb -0.13 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.19 2i2r s VAL 69 CO -0.11 -0.63 1.03 0.54 0.00 0.00 0.00 175.10 175.93 2i2r s ASN 70 N 2.28 4.19 0.31 3.32 4.22 -1.26 -2.43 114.94 125.57 2i2r s ASN 70 Ca 0.15 -0.30 0.03 0.00 -2.14 0.00 0.00 52.86 50.60 2i2r s ASN 70 Cb -0.18 -0.03 0.50 0.00 1.28 0.00 0.00 41.25 42.82 2i2r s ASN 70 CO 0.13 -1.97 1.80 -0.08 -2.04 0.00 0.00 177.10 174.94 2i2r h GLU 71 N -0.66 0.51 -0.12 3.55 4.81 -1.95 -1.98 114.58 118.74 2i2r h GLU 71 Ca -0.37 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 2i2r h GLU 71 Cb 1.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2i2r h GLU 71 CO 0.40 0.63 0.04 -0.44 -0.73 0.00 0.00 179.01 178.91 2i2r h ASP 72 N 0.47 0.17 -0.75 1.04 5.19 -1.98 0.53 116.42 121.10 2i2r h ASP 72 Ca 0.09 -0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.37 2i2r h ASP 72 Cb 0.50 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.91 2i2r h ASP 72 CO 0.03 0.31 0.45 0.71 -3.12 0.00 0.00 179.24 177.62 2i2r h THR 73 N 0.02 1.02 -0.42 0.35 1.35 -1.89 -1.56 112.91 111.78 2i2r h THR 73 Ca 0.04 -0.28 0.07 0.00 -0.55 0.00 0.00 66.41 65.68 2i2r h THR 73 Cb 0.20 0.12 -0.06 0.00 -1.73 0.00 0.00 68.15 66.68 2i2r h THR 73 CO -0.00 0.15 0.08 0.15 -0.25 0.00 0.00 175.52 175.65 2i2r h PHE 74 N 0.83 0.13 0.74 4.73 3.04 -0.55 0.38 116.94 126.24 2i2r h PHE 74 Ca 0.32 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.27 2i2r h PHE 74 Cb 0.15 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2i2r h PHE 74 CO -0.05 0.00 -0.41 0.87 -2.02 0.00 0.00 178.31 176.70 2i2r h LYS 75 N 0.21 -1.03 0.00 1.11 1.79 0.39 -3.16 116.57 115.88 2i2r h LYS 75 Ca 0.20 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2i2r h LYS 75 Cb 0.25 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2i2r h LYS 75 CO -0.27 -0.69 0.00 -0.56 -1.08 0.00 0.00 179.45 176.85 2i2r h GLN 76 N -1.07 0.00 0.00 3.15 3.07 -0.84 0.72 115.11 120.14 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 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 2i2r h GLN 76 CO 0.13 0.00 0.00 0.82 0.09 0.00 0.00 178.83 179.87 2i2r h ILE 77 N 0.00 0.00 0.00 1.86 2.04 -0.21 -2.85 117.51 118.35 2i2r h ILE 77 Ca 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2i2r h ILE 77 Cb 0.30 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2i2r h ILE 77 CO 0.00 0.00 -1.29 -1.22 0.00 0.00 0.00 178.15 175.64 2i2r n TYR 78 N -2.73 0.00 -0.37 1.37 4.02 0.22 -4.33 117.16 115.35 2i2r n TYR 78 Ca 0.01 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 58.18 2i2r n TYR 78 Cb 0.28 -0.18 0.54 0.00 -0.02 0.00 0.00 39.34 39.96 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 2.34 2.26 0.06 -0.72 0.00 -1.23 0.12 119.26 122.09 2i2r h ALA 79 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2i2r h ALA 79 Cb 0.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2i2r h ALA 79 CO 0.00 -0.84 -0.03 1.96 0.00 0.00 0.00 179.25 180.34 2i2r h GLN 80 N 0.26 -0.08 -0.10 0.00 7.50 -1.75 -3.37 115.11 117.56 2i2r h GLN 80 Ca 0.73 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.91 2i2r h GLN 80 Cb 1.93 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 29.46 2i2r h GLN 80 CO -0.49 0.50 -0.03 1.19 -1.50 0.00 0.00 178.83 178.50 2i2r n PHE 81 N -4.82 0.02 -4.29 2.96 0.99 0.42 -4.06 117.46 108.68 2i2r n PHE 81 Ca -0.08 0.13 -0.22 0.00 -0.00 0.00 0.00 57.45 57.27 2i2r n PHE 81 Cb 0.31 -0.55 -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 -5.12 1.60 0.00 1.38 -0.00 -1.23 -5.13 117.98 109.49 2i2r s PHE 82 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 56.93 56.49 2i2r s PHE 82 Cb 0.02 -0.89 0.00 0.00 -0.00 0.00 0.00 43.02 42.15 2i2r s PHE 82 CO 0.08 0.15 0.00 -0.35 -0.00 0.00 0.00 175.22 175.09 2i2r n PRO 83 N 1.25 0.00 -2.93 1.99 -0.04 -1.26 -4.31 135.00 129.70 2i2r n PRO 83 Ca -0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 2i2r n PRO 83 Cb 0.54 -0.32 0.01 0.00 -0.04 0.00 0.00 33.50 33.68 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 2.42 -4.46 0.54 1.44 -1.26 -4.95 115.22 108.95 2i2r n HIS 84 Ca 0.00 -2.64 -0.22 0.00 -2.01 0.00 0.00 57.72 52.85 2i2r n HIS 84 Cb 0.00 -1.20 -0.11 0.00 0.12 0.00 0.00 29.99 28.80 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 -1.76 2.11 -0.25 -1.39 0.00 -1.26 -4.24 107.32 100.53 2i2r s GLY 85 Ca 0.33 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 43.02 2i2r s GLY 85 CO 0.05 -1.83 -0.04 -0.35 0.00 0.00 0.00 173.10 170.93 2i2r s ASP 86 N -3.50 4.05 -0.17 1.64 -1.08 -0.19 -4.91 116.67 112.51 2i2r s ASP 86 Ca 0.36 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 51.19 2i2r s ASP 86 Cb 0.09 -1.26 0.71 0.00 -1.46 0.00 0.00 42.92 41.00 2i2r s ASP 86 CO 0.16 -0.26 1.60 0.00 0.52 0.00 0.00 175.17 177.19 2i2r n ALA 87 N 4.61 3.46 0.06 3.66 0.00 -1.26 -2.01 120.51 129.03 2i2r n ALA 87 Ca -0.10 -1.61 -0.12 0.00 0.00 0.00 0.00 53.44 51.61 2i2r n ALA 87 Cb 0.43 -1.08 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 3.69 -0.95 -0.33 0.00 0.87 -1.91 -1.32 113.55 113.60 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 1.64 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 63.96 2i2r h SER 88 CO 0.35 -0.38 -0.21 0.71 -0.53 0.00 0.00 176.83 176.77 2i2r h THR 89 N -0.47 1.27 -0.67 2.23 1.35 -1.87 -2.87 112.91 111.87 2i2r h THR 89 Ca 0.06 -1.33 -0.05 0.00 -0.55 0.00 0.00 66.41 64.54 2i2r h THR 89 Cb 0.56 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 2i2r h THR 89 CO -0.26 0.45 0.21 0.22 -0.25 0.00 0.00 175.52 175.89 2i2r h TYR 90 N 0.71 1.09 -0.96 4.73 3.20 -1.68 -2.89 116.97 121.16 2i2r h TYR 90 Ca 0.10 -0.11 0.27 0.00 3.14 0.00 0.00 58.73 62.13 2i2r h TYR 90 Cb 0.73 -0.31 -0.14 0.00 1.54 0.00 0.00 36.73 38.55 2i2r h TYR 90 CO 0.04 0.88 0.48 0.00 -1.64 0.00 0.00 178.16 177.92 2i2r h ALA 91 N 1.09 1.69 -0.32 1.82 0.00 -1.01 0.39 119.26 122.92 2i2r h ALA 91 Ca 0.22 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2i2r h ALA 91 Cb 0.30 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2i2r h ALA 91 CO -0.01 -0.43 0.13 1.25 0.00 0.00 0.00 179.25 180.19 2i2r h HIS 92 N 0.38 0.49 -0.45 0.00 -0.00 -1.51 0.12 115.15 114.18 2i2r h HIS 92 Ca 0.65 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.87 2i2r h HIS 92 Cb 1.35 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 2i2r h HIS 92 CO -0.08 0.46 -0.16 1.88 -0.00 0.00 0.00 177.93 180.04 2i2r h TYR 93 N 0.38 1.02 -0.68 5.26 -1.99 -1.26 -2.61 116.97 117.08 2i2r h TYR 93 Ca 0.11 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 2i2r h TYR 93 Cb 0.18 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.63 2i2r h TYR 93 CO -0.01 1.01 0.41 1.25 -0.00 0.00 0.00 178.16 180.83 2i2r h LEU 94 N 0.73 0.82 0.50 3.88 5.85 -0.85 -2.20 115.31 124.04 2i2r h LEU 94 Ca 0.11 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2i2r h LEU 94 Cb 0.72 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2i2r h LEU 94 CO 0.05 0.64 -0.28 0.15 -0.34 0.00 0.00 178.44 178.67 2i2r h PHE 95 N 0.93 -0.73 0.00 1.25 3.57 -0.54 -2.48 116.94 118.94 2i2r h PHE 95 Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2i2r h PHE 95 Cb -0.02 0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2i2r h PHE 95 CO -0.01 -0.43 0.00 0.27 -2.23 0.00 0.00 178.31 175.91 2i2r n ASN 96 N -4.06 0.94 0.06 0.41 0.23 -1.00 -0.36 115.26 111.48 2i2r n ASN 96 Ca -0.09 -1.88 -0.09 0.00 -0.53 0.00 0.00 54.58 51.98 2i2r n ASN 96 Cb 0.29 -0.47 -0.13 0.00 -2.08 0.00 0.00 39.78 37.40 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 1.94 0.34 -3.00 -2.53 0.00 -0.91 -3.45 119.26 111.66 2i2r h ALA 97 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2i2r h ALA 97 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2i2r h ALA 97 CO 0.00 1.23 0.00 1.19 0.00 0.00 0.00 179.25 181.67 2i2r n PHE 98 N -3.36 0.00 -2.89 0.00 3.01 0.52 -4.71 117.46 110.02 2i2r n PHE 98 Ca -0.04 0.00 -0.09 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 -1.34 0.09 4.37 9.92 -1.23 -4.82 116.55 123.54 2i2r n ASP 99 Ca 0.00 0.15 -0.01 0.00 -0.53 0.00 0.00 54.79 54.40 2i2r n ASP 99 Cb 0.00 -1.25 0.27 0.00 -0.64 0.00 0.00 41.12 39.50 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 -0.18 1.26 0.00 -3.53 2.02 -1.92 0.17 112.91 110.72 2i2r h THR 100 Ca -0.13 -1.23 -0.09 0.00 0.77 0.00 0.00 66.41 65.72 2i2r h THR 100 Cb 1.09 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 2i2r h THR 100 CO 0.19 0.38 -0.43 0.74 0.37 0.00 0.00 175.52 176.77 2i2r h THR 101 N 0.25 1.16 -5.17 3.16 2.02 -1.95 -3.48 112.91 108.91 2i2r h THR 101 Ca 0.04 -1.56 -0.33 0.00 0.77 0.00 0.00 66.41 65.34 2i2r h THR 101 Cb 0.64 1.87 0.13 0.00 -1.74 0.00 0.00 68.15 69.06 2i2r h THR 101 CO 0.05 0.42 -0.61 0.00 0.37 0.00 0.00 175.52 175.75 2i2r n GLN 102 N -3.80 -6.52 -0.89 6.66 1.13 0.58 -4.94 117.38 109.61 2i2r n GLN 102 Ca -0.01 0.72 -0.06 0.00 -1.94 0.00 0.00 57.00 55.71 2i2r n GLN 102 Cb 0.49 -5.42 0.24 0.00 0.11 0.00 0.00 30.24 25.66 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 -4.35 2.75 0.00 5.09 5.66 -1.26 -4.95 114.28 117.22 2i2r n THR 103 Ca -0.08 -2.09 0.00 0.00 -3.05 0.00 0.00 64.05 58.84 2i2r n THR 103 Cb 0.58 -0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 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 -0.72 1.22 3.17 1.09 0.00 -1.26 -4.91 105.19 103.78 2i2r n GLY 104 Ca 0.38 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 1.05 -0.35 1.61 0.15 -1.26 -4.98 113.70 109.92 2i2r s SER 105 Ca 0.00 -1.04 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 2i2r s SER 105 Cb 0.00 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2i2r s SER 105 CO 0.00 -0.51 0.30 0.68 1.20 0.00 0.00 173.24 174.91 2i2r s VAL 106 N -3.68 5.23 0.63 4.45 -7.23 -1.02 -4.87 120.40 113.91 2i2r s VAL 106 Ca 0.14 -0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 60.06 2i2r s VAL 106 Cb 0.06 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 2i2r s VAL 106 CO -0.03 -0.08 0.99 -1.59 -0.31 0.00 0.00 175.10 174.08 2i2r s LYS 107 N 1.84 3.16 0.23 4.82 -2.85 -1.26 -2.08 119.74 123.60 2i2r s LYS 107 Ca 0.08 0.40 -0.06 0.00 -1.00 0.00 0.00 55.97 55.39 2i2r s LYS 107 Cb -0.17 -2.14 0.37 0.00 -2.06 0.00 0.00 37.83 33.83 2i2r s LYS 107 CO 0.11 -0.73 1.75 0.35 0.10 0.00 0.00 175.35 176.94 2i2r h PHE 108 N -0.34 0.54 -0.87 1.78 3.57 -1.99 -2.19 116.94 117.43 2i2r h PHE 108 Ca -0.45 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.21 2i2r h PHE 108 Cb 1.23 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 2i2r h PHE 108 CO 0.55 0.14 0.56 1.05 -2.23 0.00 0.00 178.31 178.38 2i2r h GLU 109 N 0.50 0.73 0.33 1.11 9.09 -1.96 0.88 114.58 125.26 2i2r h GLU 109 Ca 0.36 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 59.71 2i2r h GLU 109 Cb 0.46 -0.16 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 2i2r h GLU 109 CO -0.32 0.48 -0.16 -0.44 0.05 0.00 0.00 179.01 178.62 2i2r h ASP 110 N 0.75 -0.38 -0.97 3.06 3.32 -1.79 -2.01 116.42 118.40 2i2r h ASP 110 Ca 0.43 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.62 2i2r h ASP 110 Cb 0.60 0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.15 2i2r h ASP 110 CO -0.19 -0.25 0.59 0.15 -1.72 0.00 0.00 179.24 177.82 2i2r h PHE 111 N -0.47 1.04 0.09 4.55 3.57 -0.83 -0.78 116.94 124.11 2i2r h PHE 111 Ca -0.05 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.23 2i2r h PHE 111 Cb 0.36 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2i2r h PHE 111 CO -0.05 0.31 -1.14 -0.39 -2.23 0.00 0.00 178.31 174.81 2i2r h VAL 112 N 0.83 1.46 0.20 1.41 -1.51 -0.82 -2.27 116.25 115.55 2i2r h VAL 112 Ca 0.52 -2.85 0.00 0.00 -1.23 0.00 0.00 66.70 63.15 2i2r h VAL 112 Cb 0.69 2.77 -0.02 0.00 -2.13 0.00 0.00 31.29 32.60 2i2r h VAL 112 CO -0.33 0.84 -0.19 0.74 -1.23 0.00 0.00 177.57 177.39 2i2r h THR 113 N 0.12 0.57 -0.70 7.19 2.02 -1.06 0.43 112.91 121.48 2i2r h THR 113 Ca -0.12 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.20 2i2r h THR 113 Cb 1.84 0.57 -0.13 0.00 -1.74 0.00 0.00 68.15 68.69 2i2r h THR 113 CO 0.19 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.90 2i2r h ALA 114 N 0.33 0.46 -0.28 6.16 0.00 -1.19 0.23 119.26 124.97 2i2r h ALA 114 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2i2r h ALA 114 Cb 0.40 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2i2r h ALA 114 CO -0.05 -0.42 -0.37 -0.07 0.00 0.00 0.00 179.25 178.34 2i2r h LEU 115 N -0.00 0.67 -1.19 0.00 3.38 -1.14 -0.63 115.31 116.40 2i2r h LEU 115 Ca 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2i2r h LEU 115 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2i2r h LEU 115 CO -0.72 0.98 0.36 -1.28 0.09 0.00 0.00 178.44 177.87 2i2r h SER 116 N 0.53 0.82 0.13 -0.43 0.87 0.23 0.59 113.55 116.30 2i2r h SER 116 Ca 0.05 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2i2r h SER 116 Cb 0.88 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2i2r h SER 116 CO 0.08 0.66 -0.06 0.40 -0.53 0.00 0.00 176.83 177.38 2i2r h ILE 117 N 0.93 1.03 -0.15 2.23 2.04 -0.43 -1.62 117.51 121.54 2i2r h ILE 117 Ca 0.24 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 2i2r h ILE 117 Cb 0.03 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2i2r h ILE 117 CO -0.04 0.25 -0.12 -0.07 0.00 0.00 0.00 178.15 178.17 2i2r h LEU 118 N -0.74 0.22 0.00 1.44 4.07 -0.86 -1.67 115.31 117.78 2i2r h LEU 118 Ca -0.02 -0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.81 2i2r h LEU 118 Cb 0.53 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2i2r h LEU 118 CO 0.03 0.37 -2.05 0.18 -1.08 0.00 0.00 178.44 175.89 2i2r n LEU 119 N -4.29 0.00 0.00 1.67 4.77 0.18 -4.81 117.00 114.52 2i2r n LEU 119 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2i2r n LEU 119 Cb 0.26 0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2i2r n LEU 119 CO 0.38 0.12 -0.19 0.54 -1.33 0.00 0.00 177.39 176.91 2i2r n ARG 120 N -2.35 2.43 -0.56 3.23 5.12 -0.76 -4.23 116.66 119.54 2i2r n ARG 120 Ca -0.11 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.53 2i2r n ARG 120 Cb 0.69 -0.69 0.26 0.00 -1.16 0.00 0.00 32.46 31.56 2i2r n ARG 120 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2i2r s GLY 121 N -1.33 1.51 0.72 -0.13 0.00 -0.63 -4.99 107.32 102.47 2i2r s GLY 121 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.24 2i2r s GLY 121 CO 0.00 0.45 1.14 -1.08 0.00 0.00 0.00 173.10 173.61 2i2r s THR 122 N -2.46 2.85 0.18 0.90 -1.32 -1.26 -4.71 115.64 109.82 2i2r s THR 122 Ca 0.68 0.38 -0.16 0.00 -1.21 0.00 0.00 61.69 61.38 2i2r s THR 122 Cb -0.22 -2.86 0.14 0.00 -1.51 0.00 0.00 72.50 68.05 2i2r s THR 122 CO 0.63 -0.27 1.65 0.58 -2.21 0.00 0.00 174.62 175.00 2i2r h VAL 123 N -0.39 0.51 -0.60 5.08 2.07 -1.94 0.18 116.25 121.15 2i2r h VAL 123 Ca -0.46 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.16 2i2r h VAL 123 Cb 1.26 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 31.43 2i2r h VAL 123 CO 0.51 0.00 -0.33 -0.74 0.02 0.00 0.00 177.57 177.04 2i2r h HIS 124 N -0.02 -0.89 -0.33 1.57 -0.00 -1.98 0.16 115.15 113.67 2i2r h HIS 124 Ca 0.22 0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.64 2i2r h HIS 124 Cb 0.36 0.48 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 2i2r h HIS 124 CO -0.41 -0.38 0.09 0.93 -0.00 0.00 0.00 177.93 178.16 2i2r h GLU 125 N -0.15 0.52 -0.77 5.26 5.08 -1.20 0.51 114.58 123.82 2i2r h GLU 125 Ca 0.24 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2i2r h GLU 125 Cb 0.55 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2i2r h GLU 125 CO -0.68 0.56 0.45 0.87 -1.00 0.00 0.00 179.01 179.21 2i2r h LYS 126 N 0.37 1.06 -0.21 2.33 1.57 -0.52 -1.33 116.57 119.84 2i2r h LYS 126 Ca 0.10 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 2i2r h LYS 126 Cb 0.27 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2i2r h LYS 126 CO -0.00 0.76 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.25 2i2r h LEU 127 N 1.06 0.65 -1.24 2.94 3.38 -0.22 -2.37 115.31 119.51 2i2r h LEU 127 Ca 0.28 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2i2r h LEU 127 Cb -0.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2i2r h LEU 127 CO -0.05 1.05 0.42 -0.09 0.09 0.00 0.00 178.44 179.85 2i2r h ARG 128 N 0.28 0.94 -0.52 1.13 2.43 0.08 -0.86 114.38 117.86 2i2r h ARG 128 Ca 0.02 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2i2r h ARG 128 Cb 0.90 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2i2r h ARG 128 CO 0.07 0.66 0.33 2.35 -1.51 0.00 0.00 179.97 181.87 2i2r h TRP 129 N 0.95 0.67 -0.61 2.20 7.01 -1.02 -1.37 115.95 123.78 2i2r h TRP 129 Ca 0.25 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.21 2i2r h TRP 129 Cb -0.04 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.77 2i2r h TRP 129 CO 0.00 0.44 0.19 1.15 -2.79 0.00 0.00 178.44 177.43 2i2r h THR 130 N 0.70 1.25 -0.48 2.65 2.02 -1.03 -2.77 112.91 115.25 2i2r h THR 130 Ca 0.19 -0.84 0.06 0.00 0.77 0.00 0.00 66.41 66.59 2i2r h THR 130 Cb -0.04 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 2i2r h THR 130 CO -0.04 0.32 0.18 0.15 0.37 0.00 0.00 175.52 176.50 2i2r h PHE 131 N 0.87 0.31 0.00 3.16 3.57 -0.77 -1.21 116.94 122.87 2i2r h PHE 131 Ca 0.20 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2i2r h PHE 131 Cb 0.30 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2i2r h PHE 131 CO 0.02 0.11 -0.16 -0.91 -2.23 0.00 0.00 178.31 175.14 2i2r h ASN 132 N 0.36 0.00 -0.18 0.41 2.35 -1.09 0.22 115.58 117.64 2i2r h ASN 132 Ca 0.23 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 2i2r h ASN 132 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2i2r h ASN 132 CO -0.22 0.16 -0.46 0.25 -1.65 0.00 0.00 177.43 175.51 2i2r h LEU 133 N 0.00 0.73 -0.37 1.61 5.85 -1.01 -3.29 115.31 118.83 2i2r h LEU 133 Ca -0.00 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.04 2i2r h LEU 133 Cb 0.48 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2i2r h LEU 133 CO 0.02 1.17 -0.20 1.88 -0.34 0.00 0.00 178.44 180.97 2i2r h TYR 134 N 0.32 0.92 -0.59 1.25 0.05 -0.42 -3.37 116.97 115.14 2i2r h TYR 134 Ca -0.01 -0.23 -0.39 0.00 0.05 0.00 0.00 58.73 58.16 2i2r h TYR 134 Cb 1.08 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.56 2i2r h TYR 134 CO 0.09 0.98 1.20 0.34 -1.05 0.00 0.00 178.16 179.72 2i2r s ASP 135 N -6.52 5.36 0.10 3.88 2.15 -0.01 -4.74 116.67 116.90 2i2r s ASP 135 Ca -0.12 -1.61 -0.25 0.00 0.43 0.00 0.00 52.55 50.99 2i2r s ASP 135 Cb 0.10 -2.58 -0.10 0.00 -0.30 0.00 0.00 42.92 40.04 2i2r s ASP 135 CO 0.83 -2.70 1.68 0.40 -0.17 0.00 0.00 175.17 175.21 2i2r h ILE 136 N 6.28 0.64 -0.12 4.11 2.04 -1.80 -2.80 117.51 125.87 2i2r h ILE 136 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.09 2i2r h ILE 136 Cb 0.94 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2i2r h ILE 136 CO 1.26 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 178.95 2i2r n ASN 137 N -5.28 1.33 -3.40 1.72 2.04 -1.26 -4.94 115.26 105.48 2i2r n ASN 137 Ca -0.07 -2.09 -0.32 0.00 -0.44 0.00 0.00 54.58 51.67 2i2r n ASN 137 Cb 0.20 -0.33 0.03 0.00 -2.53 0.00 0.00 39.78 37.15 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 0.01 -1.98 0.00 -3.83 4.01 -1.06 -4.96 118.16 110.35 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 0.28 -2.84 0.00 0.00 -0.51 0.00 0.00 35.03 31.97 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 -0.43 0.00 -0.22 4.39 5.68 -1.26 -5.03 116.55 119.68 2i2r n ASP 139 Ca -0.06 -1.00 -0.03 0.00 -0.50 0.00 0.00 54.79 53.20 2i2r n ASP 139 Cb 0.64 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.61 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 0.58 2.97 6.12 0.00 -1.26 -5.00 105.19 108.61 2i2r n GLY 140 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.93 1.17 -0.26 1.61 2.02 -1.26 -4.05 117.35 114.65 2i2r s TYR 141 Ca 0.00 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.23 2i2r s TYR 141 Cb 0.00 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2i2r s TYR 141 CO 0.00 -0.25 0.05 0.42 -1.57 0.00 0.00 175.55 174.20 2i2r s ILE 142 N 0.78 3.95 0.20 2.71 1.01 -0.39 -4.75 121.20 124.71 2i2r s ILE 142 Ca -0.13 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.16 2i2r s ILE 142 Cb -0.15 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2i2r s ILE 142 CO 0.02 0.26 -0.03 0.54 0.00 0.00 0.00 174.94 175.73 2i2r s ASN 143 N 1.54 4.54 0.30 3.58 4.22 -1.26 -1.85 114.94 126.00 2i2r s ASN 143 Ca 0.05 -0.53 0.00 0.00 -2.14 0.00 0.00 52.86 50.24 2i2r s ASN 143 Cb -0.16 -0.87 0.70 0.00 1.28 0.00 0.00 41.25 42.21 2i2r s ASN 143 CO 0.01 0.07 1.59 0.07 -2.04 0.00 0.00 177.10 176.80 2i2r h LYS 144 N 2.51 0.04 -0.97 3.55 5.09 -1.99 0.45 116.57 125.25 2i2r h LYS 144 Ca -0.46 -0.00 0.15 0.00 0.09 0.00 0.00 60.65 60.43 2i2r h LYS 144 Cb 1.22 -0.01 -0.16 0.00 0.10 0.00 0.00 32.23 33.38 2i2r h LYS 144 CO 0.57 0.03 -0.37 0.39 -2.09 0.00 0.00 179.45 177.98 2i2r n GLU 145 N -5.45 -0.22 0.07 0.07 -0.58 -1.26 -2.17 120.64 111.10 2i2r n GLU 145 Ca 0.22 1.50 0.11 0.00 -0.42 0.00 0.00 57.16 58.57 2i2r n GLU 145 Cb 0.71 -2.23 -0.05 0.00 -0.57 0.00 0.00 31.44 29.30 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 -5.45 0.61 -0.14 3.49 0.28 0.11 -3.59 120.64 115.96 2i2r n GLU 146 Ca 0.10 0.02 -0.12 0.00 -0.16 0.00 0.00 57.16 57.00 2i2r n GLU 146 Cb 0.40 -1.73 -0.01 0.00 1.43 0.00 0.00 31.44 31.53 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 0.96 -0.38 3.44 4.05 -1.32 -2.79 114.93 118.89 2i2r h MET 147 Ca 0.00 -0.46 0.07 0.00 -0.28 0.00 0.00 59.70 59.03 2i2r h MET 147 Cb 0.99 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.72 2i2r h MET 147 CO 0.00 1.12 -0.05 0.52 0.23 0.00 0.00 176.91 178.73 2i2r h MET 148 N 0.80 0.04 -0.34 0.39 2.86 -1.54 -0.96 114.93 116.18 2i2r h MET 148 Ca 0.08 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 2i2r h MET 148 Cb 0.89 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.46 2i2r h MET 148 CO 0.08 0.03 -0.22 -0.44 1.06 0.00 0.00 176.91 177.42 2i2r h ASP 149 N 0.04 -0.72 0.34 1.22 3.45 -1.59 0.32 116.42 119.47 2i2r h ASP 149 Ca 0.18 0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.79 2i2r h ASP 149 Cb 0.27 0.37 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 2i2r h ASP 149 CO -0.36 -0.25 -0.24 0.40 -1.57 0.00 0.00 179.24 177.22 2i2r h ILE 150 N -0.17 0.49 -0.47 0.35 1.08 -1.13 0.30 117.51 117.95 2i2r h ILE 150 Ca 0.17 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2i2r h ILE 150 Cb 0.44 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2i2r h ILE 150 CO -0.44 0.00 0.27 0.58 -0.69 0.00 0.00 178.15 177.87 2i2r h VAL 151 N -0.57 1.15 -0.56 1.67 2.07 -1.01 -0.50 116.25 118.51 2i2r h VAL 151 Ca -0.03 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.17 2i2r h VAL 151 Cb 0.49 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2i2r h VAL 151 CO 0.01 0.15 0.33 0.50 0.02 0.00 0.00 177.57 178.58 2i2r h LYS 152 N 0.62 0.63 -0.38 1.57 3.64 -0.76 -0.19 116.57 121.69 2i2r h LYS 152 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2i2r h LYS 152 Cb 0.01 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2i2r h LYS 152 CO -0.03 0.41 0.20 0.00 -2.27 0.00 0.00 179.45 177.77 2i2r h ALA 153 N 1.25 1.64 0.16 5.00 0.00 0.65 0.12 119.26 128.08 2i2r h ALA 153 Ca 0.23 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2i2r h ALA 153 Cb 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.70 2i2r h ALA 153 CO -0.11 0.30 -0.97 0.82 0.00 0.00 0.00 179.25 179.29 2i2r h ILE 154 N 0.53 1.44 -0.77 0.00 2.04 -0.94 -2.86 117.51 116.95 2i2r h ILE 154 Ca 0.14 -2.55 0.14 0.00 1.00 0.00 0.00 64.86 63.58 2i2r h ILE 154 Cb 0.03 3.14 -0.09 0.00 -0.74 0.00 0.00 36.82 39.15 2i2r h ILE 154 CO -0.02 0.73 0.34 1.88 0.00 0.00 0.00 178.15 181.08 2i2r h TYR 155 N -0.29 0.58 -0.58 1.37 -1.99 -0.75 0.39 116.97 115.71 2i2r h TYR 155 Ca -0.17 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2i2r h TYR 155 Cb 1.74 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 40.30 2i2r h TYR 155 CO 0.18 0.10 0.36 -0.44 -0.00 0.00 0.00 178.16 178.37 2i2r h ASP 156 N 0.49 0.68 -0.86 3.88 3.32 -0.86 -2.88 116.42 120.20 2i2r h ASP 156 Ca 0.42 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.47 2i2r h ASP 156 Cb 0.62 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2i2r h ASP 156 CO -0.38 0.52 0.56 -0.03 -1.72 0.00 0.00 179.24 178.19 2i2r h MET 157 N 0.78 1.01 -6.01 3.56 4.05 -0.33 -0.48 114.93 117.51 2i2r h MET 157 Ca 0.21 -0.06 -0.58 0.00 -0.28 0.00 0.00 59.70 58.99 2i2r h MET 157 Cb -0.05 -0.23 -0.06 0.00 -0.80 0.00 0.00 31.60 30.47 2i2r h MET 157 CO -0.04 0.67 -0.07 -1.64 0.23 0.00 0.00 176.91 176.06 2i2r s MET 158 N -5.89 4.26 0.00 0.39 -1.94 -0.60 -3.61 119.30 111.91 2i2r s MET 158 Ca -0.11 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2i2r s MET 158 Cb 0.19 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.69 2i2r s MET 158 CO 0.79 0.39 0.00 0.41 -0.01 0.00 0.00 175.02 176.61 2i2r n GLY 159 N 2.47 0.00 0.00 -0.03 0.00 -1.26 -4.76 105.19 101.60 2i2r n GLY 159 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2i2r n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i2r n ASP 169 N 0.38 0.00 -3.67 1.61 9.92 -1.26 -4.88 116.55 118.64 2i2r n ASP 169 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 2i2r n ASP 169 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2i2r n ASP 169 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2i2r s THR 170 N 0.00 1.52 0.23 -3.53 -4.23 -1.26 -5.03 115.64 103.34 2i2r s THR 170 Ca 0.00 -3.06 0.12 0.00 -1.18 0.00 0.00 61.69 57.57 2i2r s THR 170 Cb 0.00 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.82 2i2r s THR 170 CO 0.00 -1.02 1.63 1.55 -0.54 0.00 0.00 174.62 176.24 2i2r h PRO 171 N 6.05 0.00 0.31 3.99 0.13 -1.98 -1.15 132.00 139.36 2i2r h PRO 171 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2i2r h PRO 171 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2i2r h PRO 171 CO 0.52 0.57 -0.15 0.00 -0.23 0.00 0.00 178.00 178.70 2i2r h ARG 172 N 0.00 -0.40 -0.24 0.86 -0.00 -1.97 -2.98 114.38 109.65 2i2r h ARG 172 Ca -0.01 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 2i2r h ARG 172 Cb 1.07 0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.13 2i2r h ARG 172 CO 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 179.97 179.97 2i2r n GLN 173 N -5.11 0.31 0.00 0.04 10.64 -1.09 -2.05 117.38 120.11 2i2r n GLN 173 Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2i2r n GLN 173 Cb 0.27 -1.12 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 0.16 0.00 -0.19 2.61 -0.00 -0.45 -4.29 115.22 113.05 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 0.06 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.11 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 -0.53 3.57 2.07 -1.27 -2.92 116.25 118.43 2i2r h VAL 175 Ca 0.00 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2i2r h VAL 175 Cb 0.99 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2i2r h VAL 175 CO 0.00 0.41 0.31 0.44 0.02 0.00 0.00 177.57 178.75 2i2r h ASP 176 N 0.92 0.65 -0.64 0.57 3.32 -1.66 0.32 116.42 119.91 2i2r h ASP 176 Ca 0.16 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2i2r h ASP 176 Cb 0.55 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2i2r h ASP 176 CO 0.03 0.53 0.18 -0.37 -1.72 0.00 0.00 179.24 177.90 2i2r h VAL 177 N 0.71 1.25 0.63 -1.35 -1.51 -1.74 -0.77 116.25 113.47 2i2r h VAL 177 Ca 0.19 -0.89 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 2i2r h VAL 177 Cb 0.02 0.55 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 2i2r h VAL 177 CO -0.03 0.34 -0.49 0.15 -1.23 0.00 0.00 177.57 176.31 2i2r h PHE 178 N 0.98 -1.34 -0.43 5.19 3.04 -1.24 -2.55 116.94 120.59 2i2r h PHE 178 Ca 0.21 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2i2r h PHE 178 Cb 0.32 0.50 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 2i2r h PHE 178 CO 0.02 -0.69 0.23 0.74 -2.02 0.00 0.00 178.31 176.60 2i2r h PHE 179 N -1.08 0.59 0.00 0.41 -1.00 -0.84 0.73 116.94 115.75 2i2r h PHE 179 Ca -0.08 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.68 2i2r h PHE 179 Cb 0.90 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2i2r h PHE 179 CO -0.18 0.45 0.00 1.04 -1.61 0.00 0.00 178.31 178.01 2i2r n GLN 180 N -4.71 0.13 -0.25 1.51 6.02 -0.30 -0.79 117.38 118.99 2i2r n GLN 180 Ca 0.01 0.44 0.07 0.00 -0.01 0.00 0.00 57.00 57.51 2i2r n GLN 180 Cb 0.08 -1.79 0.11 0.00 1.02 0.00 0.00 30.24 29.65 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 -2.05 0.94 0.00 -1.09 2.85 -0.91 -4.82 118.16 113.07 2i2r n LYS 181 Ca 0.01 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 2i2r n LYS 181 Cb 0.16 -1.21 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.00 0.00 -2.22 -1.58 0.00 0.20 -4.99 117.12 107.54 2i2r n MET 182 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.46 2i2r n MET 182 Cb 0.67 -0.23 -0.04 0.00 0.00 0.00 0.00 33.22 33.62 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 -4.45 5.58 0.08 6.12 2.15 0.03 -4.66 116.67 121.52 2i2r s ASP 183 Ca 0.00 -0.36 -0.37 0.00 0.43 0.00 0.00 52.55 52.25 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 -2.25 1.57 0.50 -0.17 0.00 0.00 175.17 174.81 2i2r h LYS 184 N 12.23 -1.07 -0.00 4.34 3.64 -1.90 -3.23 116.57 130.57 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 0.36 -0.39 4.20 6.94 -1.26 -4.93 115.26 114.58 2i2r n ASN 185 Ca -0.13 -0.36 -0.01 0.00 -0.02 0.00 0.00 54.58 54.05 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 -1.11 -0.28 -0.18 -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 -3.23 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 1.51 2.42 -0.14 4.39 3.85 -1.26 -4.92 116.55 122.40 2i2r n ASP 187 Ca -0.01 -1.90 -0.02 0.00 -0.71 0.00 0.00 54.79 52.15 2i2r n ASP 187 Cb 0.51 -0.23 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 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 0.45 2.82 6.12 0.00 -1.26 -4.98 105.19 109.60 2i2r n GLY 188 Ca 0.17 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.74 0.40 -0.24 -0.61 -1.16 -1.26 -4.38 121.20 112.20 2i2r s ILE 189 Ca 0.00 0.03 -0.07 0.00 -0.51 0.00 0.00 60.65 60.10 2i2r s ILE 189 Cb 0.00 -0.50 -0.03 0.00 0.61 0.00 0.00 42.46 42.54 2i2r s ILE 189 CO 0.00 0.23 0.06 0.54 -2.81 0.00 0.00 174.94 172.96 2i2r s VAL 190 N 1.45 4.27 0.47 4.00 0.11 -0.77 -4.90 120.40 125.03 2i2r s VAL 190 Ca -0.03 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.88 2i2r s VAL 190 Cb -0.13 -2.99 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 2i2r s VAL 190 CO -0.03 0.35 0.66 0.42 -3.33 0.00 0.00 175.10 173.17 2i2r s THR 191 N 1.56 3.03 0.12 5.04 -4.23 -1.26 -1.26 115.64 118.63 2i2r s THR 191 Ca 0.06 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.55 2i2r s THR 191 Cb -0.15 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 2i2r s THR 191 CO 0.03 -0.04 1.74 0.25 -0.54 0.00 0.00 174.62 176.06 2i2r h LEU 192 N 0.40 0.02 -1.13 4.79 5.85 -1.99 0.17 115.31 123.42 2i2r h LEU 192 Ca -0.42 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2i2r h LEU 192 Cb 1.28 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 2i2r h LEU 192 CO 0.50 0.03 0.29 0.44 -0.34 0.00 0.00 178.44 179.36 2i2r h ASP 193 N 0.10 0.81 -0.59 1.25 3.45 -1.95 0.48 116.42 119.97 2i2r h ASP 193 Ca 0.07 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 2i2r h ASP 193 Cb 0.06 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.60 2i2r h ASP 193 CO -0.10 0.70 0.21 -0.08 -1.57 0.00 0.00 179.24 178.41 2i2r h GLU 194 N 0.90 0.91 -0.13 3.56 4.81 -1.69 -1.47 114.58 121.45 2i2r h GLU 194 Ca 0.22 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 2i2r h GLU 194 Cb 0.11 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2i2r h GLU 194 CO -0.03 0.79 -0.69 0.35 -0.73 0.00 0.00 179.01 178.70 2i2r h PHE 195 N 0.83 0.76 0.70 0.92 3.57 0.16 -2.38 116.94 121.50 2i2r h PHE 195 Ca 0.20 -0.32 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 2i2r h PHE 195 Cb 0.24 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.87 2i2r h PHE 195 CO 0.01 1.09 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.78 2i2r h LEU 196 N 0.40 -0.79 -1.89 0.59 3.38 0.07 -2.71 115.31 114.35 2i2r h LEU 196 Ca -0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2i2r h LEU 196 Cb 1.28 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2i2r h LEU 196 CO 0.13 -0.48 0.03 -0.33 0.09 0.00 0.00 178.44 177.88 2i2r h GLU 197 N -1.11 0.10 -0.33 1.13 5.08 -1.38 -2.40 114.58 115.66 2i2r h GLU 197 Ca -0.10 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2i2r h GLU 197 Cb 0.72 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2i2r h GLU 197 CO 0.16 0.08 -0.26 1.03 -1.00 0.00 0.00 179.01 179.02 2i2r h SER 198 N 0.10 0.68 0.72 1.42 0.87 -1.44 -3.03 113.55 112.87 2i2r h SER 198 Ca 0.03 -0.25 -0.26 0.00 -1.23 0.00 0.00 61.79 60.08 2i2r h SER 198 Cb 0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2i2r h SER 198 CO -0.00 0.92 -1.28 0.00 -0.53 0.00 0.00 176.83 175.93 2i2r h GLN 200 N 0.03 0.58 0.00 0.00 1.08 -1.52 -1.45 115.11 113.84 2i2r h GLN 200 Ca -0.13 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 2i2r h GLN 200 Cb 1.91 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.22 2i2r h GLN 200 CO 0.15 0.47 -0.18 0.93 -0.95 0.00 0.00 178.83 179.25 2i2r h GLU 201 N 0.58 0.00 -5.94 1.46 5.08 -1.57 -3.42 114.58 110.77 2i2r h GLU 201 Ca 0.14 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.90 2i2r h GLU 201 Cb 0.09 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.23 2i2r h GLU 201 CO -0.02 0.18 1.29 0.34 -1.00 0.00 0.00 179.01 179.80 2i2r s ASP 202 N -6.35 6.46 0.00 1.42 -1.08 -0.54 -4.91 116.67 111.67 2i2r s ASP 202 Ca -0.02 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 2i2r s ASP 202 Cb 0.13 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 2i2r s ASP 202 CO 0.62 -1.48 0.00 -0.67 0.52 0.00 0.00 175.17 174.16 2i2r n ASP 203 N 8.52 0.00 -0.00 -0.34 -0.08 -1.26 -1.69 116.55 121.70 2i2r n ASP 203 Ca 0.26 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.54 2i2r n ASP 203 Cb 0.50 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.96 2i2r n ASP 203 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2i2r n ASN 204 N -0.50 4.96 -0.79 1.67 3.02 -1.26 -3.93 115.26 118.42 2i2r n ASN 204 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2i2r n ASN 204 Cb 0.00 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 2i2r n ASN 204 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2i2r n ILE 205 N -1.95 0.36 0.09 2.41 2.08 -0.68 -0.70 119.36 120.97 2i2r n ILE 205 Ca -0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2i2r n ILE 205 Cb 0.45 -0.60 0.00 0.00 -0.75 0.00 0.00 39.64 38.74 2i2r n ILE 205 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2i2r n MET 206 N 0.47 0.00 0.20 0.38 2.81 -1.08 -4.64 117.12 115.26 2i2r n MET 206 Ca 0.00 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 2i2r n MET 206 Cb 0.25 -0.11 0.42 0.00 -0.71 0.00 0.00 33.22 33.06 2i2r n MET 206 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2i2r h ARG 207 N 0.00 0.00 0.00 0.03 -0.00 -1.67 -2.50 114.38 110.24 2i2r h ARG 207 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2i2r h ARG 207 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 2i2r h ARG 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 179.97 180.42 2i2r n SER 208 N -2.22 0.00 -3.40 7.04 2.88 0.12 -4.07 113.62 113.97 2i2r n SER 208 Ca -0.01 0.39 -0.38 0.00 -1.33 0.00 0.00 58.87 57.54 2i2r n SER 208 Cb 0.38 -0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 2i2r n SER 208 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i2r n LEU 209 N -0.94 7.80 0.18 2.46 -0.00 -0.94 -3.51 117.00 122.06 2i2r n LEU 209 Ca 0.00 -4.12 0.00 0.00 -0.00 0.00 0.00 56.01 51.89 2i2r n LEU 209 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 41.90 2i2r n LEU 209 CO 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 177.39 179.02 2i2r n GLN 210 N 4.33 0.00 -0.28 1.47 6.02 -1.22 -4.82 117.38 122.88 2i2r n GLN 210 Ca 0.68 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.62 2i2r n GLN 210 Cb 0.26 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.48 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 -3.43 -0.15 0.00 1.08 7.99 -1.23 -4.64 117.00 116.62 2i2r n LEU 211 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 2i2r n LEU 211 Cb 0.00 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.18 2i2r n LEU 211 CO 0.00 -0.22 0.00 0.33 -1.51 0.00 0.00 177.39 175.99 2i2r n PHE 212 N 1.38 0.00 -4.92 -1.77 7.35 -1.26 -5.04 117.46 113.20 2i2r n PHE 212 Ca 0.13 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.54 2i2r n PHE 212 Cb 0.02 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.68 2i2r n PHE 212 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2i2r s GLN 213 N 0.00 2.23 0.00 -4.13 -2.07 -1.26 -5.17 119.66 109.26 2i2r s GLN 213 Ca 0.00 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 2i2r s GLN 213 Cb 0.00 -1.80 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 2i2r s GLN 213 CO 0.00 0.17 0.38 0.09 -1.32 0.00 0.00 175.29 174.60