#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2r n GLY 4 N 0.00 3.03 0.15 0.00 0.00 -1.26 -4.15 105.19 102.97 2i2r n GLY 4 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 46.02 45.17 2i2r n GLY 4 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2i2r h VAL 5 N 3.57 1.10 -0.96 1.61 -1.51 -2.08 -3.16 116.25 114.82 2i2r h VAL 5 Ca 0.00 -1.98 0.26 0.00 -1.23 0.00 0.00 66.70 63.76 2i2r h VAL 5 Cb 1.55 2.16 -0.05 0.00 -2.13 0.00 0.00 31.29 32.81 2i2r h VAL 5 CO 0.29 0.51 0.67 0.00 -1.23 0.00 0.00 177.57 177.80 2i2r h ALA 6 N 1.48 2.65 0.00 5.19 0.00 -2.03 0.10 119.26 126.65 2i2r h ALA 6 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2i2r h ALA 6 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2i2r h ALA 6 CO 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 179.25 178.37 2i2r n ALA 7 N -2.64 2.55 0.24 0.00 0.00 -1.19 -2.67 120.51 116.79 2i2r n ALA 7 Ca 0.21 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2i2r n ALA 7 Cb 0.93 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 2i2r n ALA 7 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2i2r n TRP 8 N -1.09 0.09 0.21 0.00 7.02 0.02 -4.61 117.44 119.08 2i2r n TRP 8 Ca 0.20 0.03 0.05 0.00 -1.02 0.00 0.00 57.50 56.76 2i2r n TRP 8 Cb 0.14 -0.43 0.51 0.00 -2.42 0.00 0.00 31.31 29.11 2i2r n TRP 8 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2i2r h LEU 9 N 0.00 0.04 -1.76 -0.99 3.38 -1.55 -2.38 115.31 112.05 2i2r h LEU 9 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2i2r h LEU 9 Cb 0.88 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2i2r h LEU 9 CO 0.00 0.18 -0.16 1.55 0.09 0.00 0.00 178.44 180.10 2i2r h PRO 10 N 0.04 0.00 -0.01 1.13 0.13 -1.82 0.66 132.00 132.13 2i2r h PRO 10 Ca 0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 2i2r h PRO 10 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2i2r h PRO 10 CO 0.02 0.16 -0.33 0.74 -0.23 0.00 0.00 178.00 178.36 2i2r h PHE 11 N 0.00 0.03 0.24 1.56 0.05 -1.75 0.11 116.94 117.18 2i2r h PHE 11 Ca -0.00 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 2i2r h PHE 11 Cb 0.40 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.35 2i2r h PHE 11 CO 0.00 0.35 -0.11 0.00 -0.18 0.00 0.00 178.31 178.37 2i2r h ALA 12 N 1.65 -0.32 -0.94 2.45 0.00 -1.49 -3.31 119.26 117.30 2i2r h ALA 12 Ca 0.00 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.00 2i2r h ALA 12 Cb 0.59 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2i2r h ALA 12 CO 0.04 -0.35 0.66 0.07 0.00 0.00 0.00 179.25 179.68 2i2r h ARG 13 N -0.98 0.10 -0.66 0.00 0.11 -0.62 0.54 114.38 112.86 2i2r h ARG 13 Ca -0.03 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.07 2i2r h ARG 13 Cb 0.45 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.47 2i2r h ARG 13 CO 0.05 0.06 0.43 0.00 0.10 0.00 0.00 179.97 180.62 2i2r h ALA 14 N 1.55 1.60 -0.00 0.08 0.00 -0.87 -2.52 119.26 119.10 2i2r h ALA 14 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2i2r h ALA 14 Cb 1.67 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2i2r h ALA 14 CO -0.06 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 2i2r n ALA 15 N -2.44 2.48 -0.05 0.00 0.00 0.18 -3.34 120.51 117.34 2i2r n ALA 15 Ca 0.08 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2i2r n ALA 15 Cb 0.10 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 17.94 2i2r n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2r h ALA 16 N 3.37 -0.00 0.00 0.00 0.00 -1.53 -3.47 119.26 117.64 2i2r h ALA 16 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 2i2r h ALA 16 Cb 0.32 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2i2r h ALA 16 CO 0.00 0.03 0.79 0.44 0.00 0.00 0.00 179.25 180.51 2i2r n ILE 17 N -4.57 0.00 0.00 0.00 -0.00 -1.21 -2.45 119.36 111.13 2i2r n ILE 17 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 2i2r n ILE 17 Cb 0.50 -0.24 0.00 0.00 -0.00 0.00 0.00 39.64 39.89 2i2r n ILE 17 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2i2r n GLY 18 N 3.32 0.62 0.00 3.28 0.00 -1.26 -5.09 105.19 106.06 2i2r n GLY 18 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2i2r n GLY 18 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2i2r n TRP 19 N 0.00 0.00 -3.23 1.61 4.27 -1.03 -5.29 117.44 113.77 2i2r n TRP 19 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2i2r n TRP 19 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2i2r n TRP 19 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 2i2r n MET 20 N 0.00 0.00 -0.60 -2.67 2.00 -1.26 -5.03 117.12 109.56 2i2r n MET 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2i2r n MET 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2i2r n MET 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2i2r n ASP 33 N 3.92 0.00 -0.02 7.83 4.64 -1.26 -5.11 116.55 126.55 2i2r n ASP 33 Ca 0.00 0.00 -0.17 0.00 -1.38 0.00 0.00 54.79 53.24 2i2r n ASP 33 Cb 0.00 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 39.94 2i2r n ASP 33 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 2i2r n LYS 34 N -0.11 0.71 -2.90 -0.67 0.00 -1.26 -4.76 118.16 109.19 2i2r n LYS 34 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 58.31 58.43 2i2r n LYS 34 Cb 0.00 -1.71 0.02 0.00 0.00 0.00 0.00 35.03 33.35 2i2r n LYS 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2i2r n ASN 35 N -3.31 -1.61 0.00 3.14 3.02 -1.26 -5.01 115.26 110.23 2i2r n ASN 35 Ca -0.29 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.02 2i2r n ASN 35 Cb 1.05 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 41.23 2i2r n ASN 35 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2i2r n LYS 36 N 1.09 0.00 -4.05 3.52 -0.00 -1.26 -5.05 118.16 112.41 2i2r n LYS 36 Ca 0.13 -0.30 -0.33 0.00 -0.00 0.00 0.00 58.31 57.81 2i2r n LYS 36 Cb 0.63 -0.49 -0.15 0.00 -0.00 0.00 0.00 35.03 35.01 2i2r n LYS 36 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2i2r s ARG 37 N 0.00 2.97 0.58 -1.58 1.04 -1.26 -4.96 118.95 115.74 2i2r s ARG 37 Ca 0.00 -0.86 -0.01 0.00 -1.04 0.00 0.00 55.73 53.82 2i2r s ARG 37 Cb 0.00 -2.75 0.12 0.00 -2.04 0.00 0.00 34.95 30.28 2i2r s ARG 37 CO 0.00 -0.27 0.80 0.94 -0.04 0.00 0.00 175.30 176.73 2i2r n GLN 38 N 4.64 -0.00 -4.80 3.89 -0.06 -1.26 -5.13 117.38 114.65 2i2r n GLN 38 Ca -0.19 -2.12 -0.33 0.00 -2.00 0.00 0.00 57.00 52.36 2i2r n GLN 38 Cb 0.49 -0.55 -0.12 0.00 -4.06 0.00 0.00 30.24 26.00 2i2r n GLN 38 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2i2r s ASP 39 N -4.23 4.20 0.21 1.69 3.68 -1.26 -5.04 116.67 115.92 2i2r s ASP 39 Ca 0.53 -0.16 0.10 0.00 2.13 0.00 0.00 52.55 55.15 2i2r s ASP 39 Cb -0.03 -0.93 -0.05 0.00 -1.45 0.00 0.00 42.92 40.47 2i2r s ASP 39 CO 0.35 0.35 -0.19 -1.61 0.13 0.00 0.00 175.17 174.19 2i2r s GLU 40 N -0.80 1.46 0.00 4.34 2.02 -1.26 -5.03 118.70 119.43 2i2r s GLU 40 Ca 0.12 -1.58 -0.20 0.00 0.02 0.00 0.00 54.97 53.33 2i2r s GLU 40 Cb -0.11 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 2i2r s GLU 40 CO 0.01 0.30 0.59 -0.51 0.02 0.00 0.00 175.26 175.67 2i2r s LEU 41 N -3.05 4.43 0.21 1.80 1.02 -1.26 -1.06 118.68 120.77 2i2r s LEU 41 Ca 0.22 1.16 0.06 0.00 0.02 0.00 0.00 54.13 55.59 2i2r s LEU 41 Cb -0.05 -2.91 -0.04 0.00 0.02 0.00 0.00 46.19 43.21 2i2r s LEU 41 CO 0.10 0.12 0.20 0.27 0.02 0.00 0.00 176.35 177.05 2i2r s ILE 42 N -0.27 4.58 -0.19 -0.59 -4.36 0.15 -4.89 121.20 115.63 2i2r s ILE 42 Ca 0.31 -1.21 -0.00 0.00 -0.26 0.00 0.00 60.65 59.48 2i2r s ILE 42 Cb -0.18 -3.43 0.01 0.00 1.25 0.00 0.00 42.46 40.11 2i2r s ILE 42 CO 0.17 -0.25 -0.15 -0.69 0.24 0.00 0.00 174.94 174.26 2i2r s VAL 43 N -1.97 2.46 -0.40 8.37 1.01 -1.26 -1.84 120.40 126.78 2i2r s VAL 43 Ca 0.32 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2i2r s VAL 43 Cb -0.09 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.31 2i2r s VAL 43 CO 0.25 0.51 0.20 -0.76 0.00 0.00 0.00 175.10 175.30 2i2r s LEU 44 N 1.32 5.03 -0.33 3.92 1.43 0.24 -2.53 118.68 127.77 2i2r s LEU 44 Ca 0.05 -1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 51.17 2i2r s LEU 44 Cb -0.13 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2i2r s LEU 44 CO -0.10 -0.51 1.32 0.21 0.23 0.00 0.00 176.35 177.50 2i2r s ASN 45 N 1.91 6.60 -0.44 2.29 3.84 0.24 -0.14 114.94 129.24 2i2r s ASN 45 Ca 0.04 1.08 0.04 0.00 0.21 0.00 0.00 52.86 54.23 2i2r s ASN 45 Cb -0.23 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.05 2i2r s ASN 45 CO -0.01 -1.16 0.18 -0.69 -2.79 0.00 0.00 177.10 172.63 2i2r s VAL 46 N 4.61 2.26 -0.19 -5.21 1.01 0.39 -0.85 120.40 122.41 2i2r s VAL 46 Ca 0.57 -2.82 0.00 0.00 0.00 0.00 0.00 61.98 59.73 2i2r s VAL 46 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.62 2i2r s VAL 46 CO 0.26 -0.74 0.00 -1.54 0.00 0.00 0.00 175.10 173.08 2i2r n SER 47 N 3.62 -5.24 0.00 3.32 3.41 -0.66 -2.55 113.62 115.52 2i2r n SER 47 Ca 0.05 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2i2r n SER 47 Cb 0.36 -2.90 0.00 0.00 -0.26 0.00 0.00 64.21 61.41 2i2r n SER 47 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2i2r n GLY 48 N -0.07 2.89 3.67 5.00 0.00 -1.26 -5.05 105.19 110.36 2i2r n GLY 48 Ca -0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2i2r n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i2r n ARG 49 N 0.00 2.75 -2.99 1.61 5.12 -1.06 -4.89 116.66 117.21 2i2r n ARG 49 Ca 0.00 1.01 -0.44 0.00 -1.93 0.00 0.00 57.85 56.49 2i2r n ARG 49 Cb 0.00 -2.94 -0.04 0.00 -1.16 0.00 0.00 32.46 28.32 2i2r n ARG 49 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2i2r s ARG 50 N 4.13 3.11 0.39 5.56 0.52 -1.26 -0.46 118.95 130.93 2i2r s ARG 50 Ca 0.88 -1.15 -0.23 0.00 -0.52 0.00 0.00 55.73 54.71 2i2r s ARG 50 Cb -0.48 -4.29 -0.10 0.00 0.52 0.00 0.00 34.95 30.59 2i2r s ARG 50 CO 0.43 -1.67 0.96 -0.06 0.02 0.00 0.00 175.30 174.97 2i2r s PHE 51 N 3.24 3.45 -0.03 -0.53 0.08 0.80 -4.88 117.98 120.12 2i2r s PHE 51 Ca 0.17 1.68 0.02 0.00 0.12 0.00 0.00 56.93 58.93 2i2r s PHE 51 Cb -0.20 -2.91 0.01 0.00 -0.57 0.00 0.00 43.02 39.35 2i2r s PHE 51 CO 0.07 -0.04 -0.08 -0.65 -0.10 0.00 0.00 175.22 174.41 2i2r s GLN 52 N -2.67 0.95 0.10 0.44 -0.21 -1.26 0.81 119.66 117.82 2i2r s GLN 52 Ca 0.57 -0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 2i2r s GLN 52 Cb -0.14 -0.88 0.02 0.00 1.00 0.00 0.00 33.01 33.00 2i2r s GLN 52 CO 0.19 0.07 0.29 -0.08 -2.12 0.00 0.00 175.29 173.65 2i2r s THR 53 N 0.32 0.10 0.21 -0.19 -1.32 -0.76 -4.99 115.64 109.01 2i2r s THR 53 Ca -0.05 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 2i2r s THR 53 Cb -0.10 -1.22 -0.09 0.00 -1.51 0.00 0.00 72.50 69.59 2i2r s THR 53 CO 0.01 -0.47 1.25 0.26 -2.21 0.00 0.00 174.62 173.45 2i2r s TRP 54 N -3.67 3.33 0.17 9.09 0.52 -1.26 0.31 118.94 127.43 2i2r s TRP 54 Ca 0.03 1.36 -0.16 0.00 0.02 0.00 0.00 56.10 57.35 2i2r s TRP 54 Cb 0.03 -3.51 0.12 0.00 -1.15 0.00 0.00 33.47 28.96 2i2r s TRP 54 CO -0.11 -1.49 1.66 -0.09 0.02 0.00 0.00 176.95 176.95 2i2r h ARG 55 N 5.00 0.00 -0.89 4.98 2.43 -1.44 0.14 114.38 124.60 2i2r h ARG 55 Ca -0.45 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 58.93 2i2r h ARG 55 Cb 1.21 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.64 2i2r h ARG 55 CO 0.74 0.00 0.39 1.79 -1.51 0.00 0.00 179.97 181.38 2i2r h THR 56 N 0.00 0.48 -1.00 0.20 1.35 -1.92 0.70 112.91 112.72 2i2r h THR 56 Ca 0.21 -0.14 0.23 0.00 -0.55 0.00 0.00 66.41 66.16 2i2r h THR 56 Cb 0.32 0.04 -0.10 0.00 -1.73 0.00 0.00 68.15 66.69 2i2r h THR 56 CO -0.46 0.07 0.63 0.74 -0.25 0.00 0.00 175.52 176.26 2i2r h THR 57 N 0.40 0.62 0.18 6.82 2.02 -1.08 -0.75 112.91 121.12 2i2r h THR 57 Ca 0.55 -0.19 -0.25 0.00 0.77 0.00 0.00 66.41 67.30 2i2r h THR 57 Cb 1.04 0.02 0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2i2r h THR 57 CO -0.52 0.10 -1.09 -0.07 0.37 0.00 0.00 175.52 174.31 2i2r h LEU 58 N 0.55 0.65 -1.63 2.58 3.38 -0.87 -3.22 115.31 116.74 2i2r h LEU 58 Ca 0.57 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2i2r h LEU 58 Cb 1.20 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2i2r h LEU 58 CO -0.32 1.52 0.23 -0.33 0.09 0.00 0.00 178.44 179.63 2i2r h GLU 59 N -0.12 0.00 -0.37 1.13 5.08 -0.36 -2.86 114.58 117.08 2i2r h GLU 59 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2i2r h GLU 59 Cb 1.85 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 2i2r h GLU 59 CO 0.20 0.00 0.24 -0.09 -1.00 0.00 0.00 179.01 178.37 2i2r h ARG 60 N 0.00 0.48 -3.01 2.33 2.43 -1.46 -3.11 114.38 112.04 2i2r h ARG 60 Ca 0.00 -0.03 -0.62 0.00 -0.81 0.00 0.00 59.98 58.52 2i2r h ARG 60 Cb 0.46 -0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 29.49 2i2r h ARG 60 CO 0.00 0.32 -0.66 0.71 -1.51 0.00 0.00 179.97 178.84 2i2r s TYR 61 N -5.45 3.01 1.05 2.20 1.51 -1.08 -5.09 117.35 113.50 2i2r s TYR 61 Ca -0.08 -3.09 -0.15 0.00 -1.01 0.00 0.00 57.07 52.75 2i2r s TYR 61 Cb 0.17 -2.38 0.21 0.00 -0.11 0.00 0.00 41.96 39.85 2i2r s TYR 61 CO 0.72 -0.63 1.13 -1.25 -1.11 0.00 0.00 175.55 174.41 2i2r s PRO 62 N -0.91 0.03 -1.57 -1.71 0.04 -1.18 -3.19 135.00 126.51 2i2r s PRO 62 Ca 0.24 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2i2r s PRO 62 Cb -0.08 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2i2r s PRO 62 CO -0.13 -2.92 0.00 -0.40 0.04 0.00 0.00 177.00 173.58 2i2r n ASP 63 N -4.25 -5.05 -4.16 6.66 3.85 -1.26 -4.83 116.55 107.51 2i2r n ASP 63 Ca 0.09 0.37 -0.25 0.00 -0.71 0.00 0.00 54.79 54.28 2i2r n ASP 63 Cb 0.59 -3.85 -0.16 0.00 -1.35 0.00 0.00 41.12 36.35 2i2r n ASP 63 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2i2r s THR 64 N -2.46 1.41 0.00 2.12 -4.23 -1.19 -4.94 115.64 106.34 2i2r s THR 64 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2i2r s THR 64 Cb 0.00 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.66 2i2r s THR 64 CO 0.00 0.40 0.00 -0.11 -0.54 0.00 0.00 174.62 174.37 2i2r n LEU 65 N 2.82 0.00 0.00 4.79 0.00 -0.82 0.11 117.00 123.90 2i2r n LEU 65 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.67 2i2r n LEU 65 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 43.42 43.86 2i2r n LEU 65 CO 0.24 0.00 0.23 -0.07 0.00 0.00 0.00 177.39 177.80 2i2r h LEU 66 N 0.00 0.71 -2.33 -1.96 4.07 -1.92 -2.76 115.31 111.12 2i2r h LEU 66 Ca 0.00 -0.71 0.03 0.00 0.08 0.00 0.00 57.88 57.28 2i2r h LEU 66 Cb 0.00 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 2i2r h LEU 66 CO 0.00 1.32 0.12 1.23 -1.08 0.00 0.00 178.44 180.03 2i2r h GLY 67 N 0.16 0.00 0.00 0.83 0.00 0.66 -3.45 103.07 101.27 2i2r h GLY 67 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2i2r h GLY 67 CO 0.14 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 2i2r n SER 68 N -3.78 0.08 0.11 0.19 3.41 0.43 -4.26 113.62 109.80 2i2r n SER 68 Ca -0.00 -0.09 0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2i2r n SER 68 Cb 0.23 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2i2r n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i2r h THR 69 N 0.00 0.36 -0.93 6.66 1.03 -1.86 -3.38 112.91 114.80 2i2r h THR 69 Ca 0.00 -1.59 0.20 0.00 -0.01 0.00 0.00 66.41 65.00 2i2r h THR 69 Cb 0.00 1.98 -0.11 0.00 -1.07 0.00 0.00 68.15 68.95 2i2r h THR 69 CO 0.00 0.21 0.49 -0.08 -0.01 0.00 0.00 175.52 176.13 2i2r h GLU 70 N 0.00 0.56 0.00 0.00 4.81 -1.92 -0.02 114.58 118.01 2i2r h GLU 70 Ca -0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2i2r h GLU 70 Cb 1.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2i2r h GLU 70 CO 0.03 0.37 0.11 1.57 -0.73 0.00 0.00 179.01 180.36 2i2r h LYS 71 N 0.58 0.00 -0.29 1.92 2.10 -1.67 -1.54 116.57 117.67 2i2r h LYS 71 Ca 0.55 0.00 0.08 0.00 -2.00 0.00 0.00 60.65 59.28 2i2r h LYS 71 Cb 0.93 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.25 2i2r h LYS 71 CO -0.44 0.00 0.22 1.49 -2.00 0.00 0.00 179.45 178.72 2i2r h GLU 72 N 0.00 0.00 0.00 0.07 4.57 -1.29 0.11 114.58 118.03 2i2r h GLU 72 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2i2r h GLU 72 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2i2r h GLU 72 CO 0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 2i2r n PHE 73 N -4.33 0.00 -0.01 0.92 3.72 -0.58 -2.54 117.46 114.64 2i2r n PHE 73 Ca 0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 2i2r n PHE 73 Cb 0.38 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2i2r n PHE 73 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2i2r n PHE 74 N -1.33 0.05 -3.01 1.38 3.01 0.37 -5.01 117.46 112.92 2i2r n PHE 74 Ca 0.06 -0.40 -0.40 0.00 1.01 0.00 0.00 57.45 57.72 2i2r n PHE 74 Cb 0.11 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 2i2r n PHE 74 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2i2r s PHE 75 N -0.83 3.82 -0.28 1.38 2.19 -1.05 -1.36 117.98 121.85 2i2r s PHE 75 Ca 0.03 1.53 -0.08 0.00 0.33 0.00 0.00 56.93 58.74 2i2r s PHE 75 Cb 0.01 -2.77 -0.01 0.00 -1.31 0.00 0.00 43.02 38.94 2i2r s PHE 75 CO 0.02 0.41 0.10 1.21 1.83 0.00 0.00 175.22 178.80 2i2r s ASN 76 N -0.65 5.29 0.19 6.13 3.84 -0.12 -4.96 114.94 124.66 2i2r s ASN 76 Ca 0.36 -0.40 -0.13 0.00 0.21 0.00 0.00 52.86 52.90 2i2r s ASN 76 Cb -0.22 -1.95 0.20 0.00 -0.55 0.00 0.00 41.25 38.74 2i2r s ASN 76 CO 0.24 -0.12 1.69 -0.08 -2.79 0.00 0.00 177.10 176.04 2i2r h GLU 77 N 8.28 0.13 0.00 0.43 4.57 -1.96 0.20 114.58 126.23 2i2r h GLU 77 Ca -0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2i2r h GLU 77 Cb 1.16 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2i2r h GLU 77 CO 0.59 0.09 0.00 -0.25 -1.18 0.00 0.00 179.01 178.26 2i2r n ASP 78 N -5.21 0.00 0.15 1.04 8.00 -1.26 -3.59 116.55 115.68 2i2r n ASP 78 Ca 0.06 0.50 0.07 0.00 0.71 0.00 0.00 54.79 56.13 2i2r n ASP 78 Cb 0.28 -0.28 0.35 0.00 -0.02 0.00 0.00 41.12 41.45 2i2r n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2i2r n THR 79 N -1.33 0.70 -3.03 -3.53 -2.24 -1.25 -4.80 114.28 98.80 2i2r n THR 79 Ca 0.00 0.72 -0.22 0.00 -2.27 0.00 0.00 64.05 62.28 2i2r n THR 79 Cb 0.00 -1.72 0.03 0.00 -2.10 0.00 0.00 70.33 66.54 2i2r n THR 79 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2i2r n LYS 80 N -2.01 -4.57 -3.78 -0.78 3.00 0.69 -4.96 118.16 105.76 2i2r n LYS 80 Ca -0.01 0.86 -0.11 0.00 -0.00 0.00 0.00 58.31 59.05 2i2r n LYS 80 Cb 0.28 -5.70 -0.07 0.00 0.00 0.00 0.00 35.03 29.55 2i2r n LYS 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2i2r s GLU 81 N -5.71 0.82 0.07 1.64 -1.05 -1.13 -4.91 118.70 108.44 2i2r s GLU 81 Ca 0.30 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 54.18 2i2r s GLU 81 Cb -0.14 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 2i2r s GLU 81 CO 0.37 -0.27 1.11 0.71 0.95 0.00 0.00 175.26 178.13 2i2r s TYR 82 N -2.95 3.55 -0.08 4.83 1.51 -1.05 -0.95 117.35 122.22 2i2r s TYR 82 Ca -0.02 1.50 0.03 0.00 -1.01 0.00 0.00 57.07 57.57 2i2r s TYR 82 Cb 0.01 -3.29 0.01 0.00 -0.11 0.00 0.00 41.96 38.57 2i2r s TYR 82 CO -0.06 -0.71 -0.18 0.12 -1.11 0.00 0.00 175.55 173.61 2i2r s PHE 83 N 0.69 1.97 -0.13 2.71 5.36 -0.46 0.80 117.98 128.91 2i2r s PHE 83 Ca 0.54 -0.77 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 2i2r s PHE 83 Cb -0.27 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2i2r s PHE 83 CO 0.30 -0.34 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.50 2i2r s PHE 84 N 0.49 2.20 -0.16 10.12 0.08 -0.03 -4.84 117.98 125.85 2i2r s PHE 84 Ca -0.16 -1.14 -0.00 0.00 0.12 0.00 0.00 56.93 55.74 2i2r s PHE 84 Cb -0.17 -1.58 0.11 0.00 -0.57 0.00 0.00 43.02 40.81 2i2r s PHE 84 CO 0.06 -0.59 1.99 -3.47 -0.10 0.00 0.00 175.22 173.11 2i2r n ASP 85 N 4.41 5.82 -5.00 1.36 2.03 -1.26 -1.65 116.55 122.26 2i2r n ASP 85 Ca -0.19 -2.72 -0.19 0.00 0.52 0.00 0.00 54.79 52.22 2i2r n ASP 85 Cb 0.51 -1.08 0.03 0.00 -0.72 0.00 0.00 41.12 39.85 2i2r n ASP 85 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2i2r s ARG 86 N -0.89 2.59 0.21 -0.67 1.81 -1.26 -4.95 118.95 115.78 2i2r s ARG 86 Ca 0.15 -1.45 -0.31 0.00 -1.72 0.00 0.00 55.73 52.40 2i2r s ARG 86 Cb 0.12 -2.66 -0.11 0.00 -0.45 0.00 0.00 34.95 31.85 2i2r s ARG 86 CO -0.00 -0.50 1.64 0.34 -0.68 0.00 0.00 175.30 176.10 2i2r s ASP 87 N -4.45 6.46 0.18 0.23 2.15 -1.26 -4.14 116.67 115.84 2i2r s ASP 87 Ca 0.56 2.78 0.07 0.00 0.43 0.00 0.00 52.55 56.39 2i2r s ASP 87 Cb -0.08 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 2i2r s ASP 87 CO 0.34 -0.90 1.40 1.55 -0.17 0.00 0.00 175.17 177.39 2i2r h PRO 88 N 6.45 0.06 0.44 4.34 0.13 -1.95 -3.28 132.00 138.19 2i2r h PRO 88 Ca -0.44 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2i2r h PRO 88 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2i2r h PRO 88 CO 0.91 0.88 -0.21 1.49 -0.23 0.00 0.00 178.00 180.84 2i2r h GLU 89 N 0.03 -0.57 -0.90 0.86 4.57 -1.93 -3.02 114.58 113.61 2i2r h GLU 89 Ca -0.02 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2i2r h GLU 89 Cb 1.51 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.18 2i2r h GLU 89 CO 0.12 -0.32 0.59 0.28 -1.18 0.00 0.00 179.01 178.50 2i2r h VAL 90 N -0.72 1.24 -1.19 0.32 2.07 -1.99 -0.35 116.25 115.62 2i2r h VAL 90 Ca -0.06 -0.44 0.38 0.00 0.82 0.00 0.00 66.70 67.39 2i2r h VAL 90 Cb 0.52 -0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.08 2i2r h VAL 90 CO 0.10 0.23 0.76 0.15 0.02 0.00 0.00 177.57 178.83 2i2r h PHE 91 N 1.23 0.62 -0.69 1.57 3.57 -1.58 0.50 116.94 122.15 2i2r h PHE 91 Ca 0.33 0.03 0.15 0.00 3.53 0.00 0.00 57.97 62.00 2i2r h PHE 91 Cb -0.13 -0.16 -0.12 0.00 2.79 0.00 0.00 35.95 38.33 2i2r h PHE 91 CO 0.00 -0.14 -0.05 0.00 -2.23 0.00 0.00 178.31 175.89 2i2r h ARG 92 N 0.19 0.07 -0.18 1.11 3.08 -1.02 0.33 114.38 117.96 2i2r h ARG 92 Ca 0.75 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.75 2i2r h ARG 92 Cb 2.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 32.20 2i2r h ARG 92 CO -0.42 0.05 -0.06 0.00 -1.07 0.00 0.00 179.97 178.46 2i2r h VAL 94 N 0.07 0.91 -0.26 0.00 2.07 -1.07 0.39 116.25 118.36 2i2r h VAL 94 Ca 0.04 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2i2r h VAL 94 Cb 0.52 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2i2r h VAL 94 CO 0.02 0.06 0.07 0.25 0.02 0.00 0.00 177.57 177.99 2i2r h LEU 95 N 0.33 0.40 -2.36 2.57 5.85 -0.13 -2.67 115.31 119.30 2i2r h LEU 95 Ca 0.18 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2i2r h LEU 95 Cb 0.14 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2i2r h LEU 95 CO -0.16 0.51 0.12 0.78 -0.34 0.00 0.00 178.44 179.35 2i2r h ASN 96 N 0.26 0.00 -0.21 1.25 2.35 0.72 0.21 115.58 120.15 2i2r h ASN 96 Ca 0.08 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2i2r h ASN 96 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2i2r h ASN 96 CO -0.00 0.00 -0.20 0.15 -1.65 0.00 0.00 177.43 175.73 2i2r h PHE 97 N 0.00 0.73 0.00 1.19 3.04 0.07 -2.08 116.94 119.88 2i2r h PHE 97 Ca 0.05 -0.15 -0.02 0.00 3.98 0.00 0.00 57.97 61.83 2i2r h PHE 97 Cb 0.28 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 2i2r h PHE 97 CO 0.00 0.80 -0.09 1.88 -2.02 0.00 0.00 178.31 178.88 2i2r h TYR 98 N 0.58 0.00 0.00 0.41 -1.99 -0.55 -3.38 116.97 112.04 2i2r h TYR 98 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 2i2r h TYR 98 Cb 0.65 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.38 2i2r h TYR 98 CO 0.03 0.09 0.00 0.54 -0.00 0.00 0.00 178.16 178.82 2i2r n ARG 99 N -3.20 0.00 -2.31 4.88 1.74 -0.84 -4.81 116.66 112.12 2i2r n ARG 99 Ca 0.01 0.16 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 2i2r n ARG 99 Cb 0.39 -0.59 -0.02 0.00 -1.02 0.00 0.00 32.46 31.22 2i2r n ARG 99 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2i2r s THR 100 N -0.42 4.39 0.57 0.55 -4.23 -0.84 -4.95 115.64 110.71 2i2r s THR 100 Ca 0.00 1.14 0.28 0.00 -1.18 0.00 0.00 61.69 61.92 2i2r s THR 100 Cb 0.00 -3.66 0.38 0.00 1.34 0.00 0.00 72.50 70.56 2i2r s THR 100 CO 0.00 -0.67 1.99 1.23 -0.54 0.00 0.00 174.62 176.63 2i2r h GLY 101 N 0.78 0.00 -4.57 3.99 0.00 -1.85 -3.38 103.07 98.04 2i2r h GLY 101 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.32 2i2r h GLY 101 CO 0.61 0.00 0.19 0.54 0.00 0.00 0.00 176.54 177.88 2i2r s LYS 102 N -4.74 4.51 -0.28 4.80 1.02 -1.26 -4.88 119.74 118.91 2i2r s LYS 102 Ca -0.05 1.12 -0.15 0.00 0.02 0.00 0.00 55.97 56.91 2i2r s LYS 102 Cb 0.17 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2i2r s LYS 102 CO 0.60 0.19 0.36 -1.17 -0.92 0.00 0.00 175.35 174.42 2i2r s LEU 103 N 0.24 4.07 -0.02 3.17 2.96 -1.26 -4.00 118.68 123.84 2i2r s LEU 103 Ca 0.41 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2i2r s LEU 103 Cb -0.20 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2i2r s LEU 103 CO 0.23 -0.19 0.10 -1.00 -1.32 0.00 0.00 176.35 174.18 2i2r s HIS 104 N 2.04 3.36 -0.43 5.38 3.76 -1.26 -3.18 115.29 124.95 2i2r s HIS 104 Ca 0.14 0.26 -0.20 0.00 -0.15 0.00 0.00 55.06 55.11 2i2r s HIS 104 Cb -0.16 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.78 2i2r s HIS 104 CO 0.10 0.58 0.61 -0.47 -0.85 0.00 0.00 174.74 174.71 2i2r s TYR 105 N -1.19 3.09 -0.43 1.40 5.04 -1.26 -4.96 117.35 119.03 2i2r s TYR 105 Ca 0.23 -0.09 -0.27 0.00 -2.44 0.00 0.00 57.07 54.50 2i2r s TYR 105 Cb -0.12 -3.26 -0.06 0.00 0.35 0.00 0.00 41.96 38.87 2i2r s TYR 105 CO 0.14 -0.83 2.35 -1.25 -1.34 0.00 0.00 175.55 174.62 2i2r s PRO 106 N 2.69 2.35 0.00 4.97 0.04 -1.26 -4.82 135.00 138.97 2i2r s PRO 106 Ca 0.21 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2i2r s PRO 106 Cb -0.15 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2i2r s PRO 106 CO 0.18 -2.99 0.18 0.54 0.04 0.00 0.00 177.00 174.94 2i2r n ARG 107 N 8.96 0.20 0.00 4.56 1.74 -1.26 -1.83 116.66 129.03 2i2r n ARG 107 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2i2r n ARG 107 Cb 0.53 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 2i2r n ARG 107 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 2i2r n TYR 108 N 0.81 0.00 -1.29 -1.55 0.18 -1.26 -5.10 117.16 108.94 2i2r n TYR 108 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 2i2r n TYR 108 Cb 0.09 0.10 0.11 0.00 -0.38 0.00 0.00 39.34 39.26 2i2r n TYR 108 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2i2r s GLU 109 N -1.77 1.89 0.21 -3.48 0.41 -0.76 -4.97 118.70 110.23 2i2r s GLU 109 Ca 0.00 1.85 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 2i2r s GLU 109 Cb 0.00 -1.79 -0.08 0.00 -1.78 0.00 0.00 34.13 30.47 2i2r s GLU 109 CO 0.00 -2.05 1.10 0.00 -0.49 0.00 0.00 175.26 173.83 2i2r h ILE 111 N 3.54 0.00 -0.76 0.00 1.08 -1.93 -1.99 117.51 117.44 2i2r h ILE 111 Ca -0.45 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.20 2i2r h ILE 111 Cb 1.21 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.83 2i2r h ILE 111 CO 0.71 0.00 0.02 -1.28 -0.69 0.00 0.00 178.15 176.91 2i2r h SER 112 N -0.09 -0.33 -0.80 1.72 0.87 -1.94 0.27 113.55 113.25 2i2r h SER 112 Ca 0.02 0.20 0.22 0.00 -1.23 0.00 0.00 61.79 61.00 2i2r h SER 112 Cb 0.15 0.34 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2i2r h SER 112 CO -0.16 -0.18 0.57 0.00 -0.53 0.00 0.00 176.83 176.53 2i2r h ALA 113 N 1.71 2.62 0.00 6.23 0.00 -1.76 -2.22 119.26 125.84 2i2r h ALA 113 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2i2r h ALA 113 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2i2r h ALA 113 CO -0.67 -0.85 -1.32 0.98 0.00 0.00 0.00 179.25 177.40 2i2r n TYR 114 N -4.35 0.00 -0.04 0.00 9.36 0.79 -3.80 117.16 119.11 2i2r n TYR 114 Ca 0.16 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.25 2i2r n TYR 114 Cb 0.81 -0.21 -0.08 0.00 -0.63 0.00 0.00 39.34 39.23 2i2r n TYR 114 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 2i2r h ASP 115 N 0.00 0.27 -0.73 2.98 3.32 -0.71 -2.00 116.42 119.56 2i2r h ASP 115 Ca 0.00 -0.53 0.12 0.00 0.02 0.00 0.00 57.03 56.64 2i2r h ASP 115 Cb 0.47 -0.08 -0.13 0.00 0.22 0.00 0.00 39.33 39.81 2i2r h ASP 115 CO 0.00 0.76 -0.34 0.44 -1.72 0.00 0.00 179.24 178.38 2i2r h ASP 116 N -0.20 -1.21 -0.48 6.45 3.45 -1.59 0.27 116.42 123.12 2i2r h ASP 116 Ca 0.01 0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 2i2r h ASP 116 Cb 0.70 0.62 -0.02 0.00 -0.56 0.00 0.00 39.33 40.07 2i2r h ASP 116 CO 0.03 -0.30 0.25 -0.33 -1.57 0.00 0.00 179.24 177.33 2i2r h GLU 117 N -0.10 0.67 -0.77 3.56 4.39 -1.65 -2.53 114.58 118.15 2i2r h GLU 117 Ca 0.28 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.92 2i2r h GLU 117 Cb 0.57 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2i2r h GLU 117 CO -0.79 0.54 0.51 -0.07 -1.16 0.00 0.00 179.01 178.05 2i2r h LEU 118 N 0.63 0.83 -0.85 1.33 3.38 -0.33 -2.12 115.31 118.18 2i2r h LEU 118 Ca 0.17 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2i2r h LEU 118 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2i2r h LEU 118 CO -0.02 0.57 0.09 0.00 0.09 0.00 0.00 178.44 179.17 2i2r h ALA 119 N 1.54 1.05 0.37 1.53 0.00 -0.72 -1.44 119.26 121.60 2i2r h ALA 119 Ca 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2i2r h ALA 119 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2i2r h ALA 119 CO -0.08 0.61 -0.18 0.35 0.00 0.00 0.00 179.25 179.95 2i2r h PHE 120 N 0.89 -0.47 0.00 0.00 3.57 -0.98 -3.17 116.94 116.78 2i2r h PHE 120 Ca 0.18 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2i2r h PHE 120 Cb 0.40 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2i2r h PHE 120 CO 0.03 -0.24 0.00 0.66 -2.23 0.00 0.00 178.31 176.52 2i2r n TYR 121 N -5.27 0.00 -1.13 0.41 4.01 -0.97 -4.83 117.16 109.38 2i2r n TYR 121 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2i2r n TYR 121 Cb 0.24 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2i2r n TYR 121 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2i2r n GLY 122 N 0.79 0.47 3.73 2.72 0.00 -0.97 -1.94 105.19 109.99 2i2r n GLY 122 Ca 0.18 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 2i2r n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i2r s ILE 123 N -2.00 5.39 0.12 -0.61 1.09 -0.58 -4.73 121.20 119.88 2i2r s ILE 123 Ca 0.00 0.18 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2i2r s ILE 123 Cb 0.00 -3.46 -0.06 0.00 -1.06 0.00 0.00 42.46 37.87 2i2r s ILE 123 CO 0.00 0.44 1.14 -0.76 -0.10 0.00 0.00 174.94 175.65 2i2r s LEU 124 N 0.38 4.43 0.07 2.97 2.01 -1.26 -4.29 118.68 122.99 2i2r s LEU 124 Ca 0.08 2.04 -0.12 0.00 0.01 0.00 0.00 54.13 56.14 2i2r s LEU 124 Cb -0.11 -3.59 -0.01 0.00 0.01 0.00 0.00 46.19 42.49 2i2r s LEU 124 CO -0.02 -0.33 0.64 -2.65 1.01 0.00 0.00 176.35 175.00 2i2r n PRO 125 N 3.11 -0.17 -2.88 1.29 -0.01 -1.26 -2.16 135.00 132.92 2i2r n PRO 125 Ca 0.05 0.63 -0.29 0.00 -0.01 0.00 0.00 63.50 63.88 2i2r n PRO 125 Cb 0.46 -0.92 -0.03 0.00 -0.01 0.00 0.00 33.50 33.00 2i2r n PRO 125 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 175.50 174.64 2i2r n GLU 126 N -4.53 3.64 -0.10 -0.52 0.28 -1.26 -4.23 120.64 113.91 2i2r n GLU 126 Ca 0.01 -4.83 0.06 0.00 -0.16 0.00 0.00 57.16 52.25 2i2r n GLU 126 Cb 0.12 -2.28 0.23 0.00 1.43 0.00 0.00 31.44 30.94 2i2r n GLU 126 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2i2r n ILE 127 N -0.22 0.27 -1.84 3.84 5.41 -0.92 -4.96 119.36 120.93 2i2r n ILE 127 Ca 0.34 -0.30 -0.42 0.00 1.00 0.00 0.00 62.75 63.37 2i2r n ILE 127 Cb 0.37 0.17 -0.03 0.00 -0.71 0.00 0.00 39.64 39.45 2i2r n ILE 127 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2i2r s ILE 128 N -1.73 2.31 1.21 1.39 1.01 -1.26 -4.35 121.20 119.78 2i2r s ILE 128 Ca 0.22 0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 2i2r s ILE 128 Cb 0.12 -3.15 0.30 0.00 0.01 0.00 0.00 42.46 39.74 2i2r s ILE 128 CO 0.17 0.03 1.01 -0.83 0.00 0.00 0.00 174.94 175.31 2i2r s GLY 129 N 0.90 1.52 0.51 6.18 0.00 -1.19 -4.61 107.32 110.63 2i2r s GLY 129 Ca 0.69 -0.25 0.24 0.00 0.00 0.00 0.00 44.72 45.39 2i2r s GLY 129 CO 0.37 0.52 2.07 -0.55 0.00 0.00 0.00 173.10 175.51 2i2r h ASP 130 N -2.77 0.00 -0.29 1.64 5.19 -1.94 -1.70 116.42 116.54 2i2r h ASP 130 Ca -0.61 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.74 2i2r h ASP 130 Cb 1.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.83 2i2r h ASP 130 CO 0.49 0.12 -0.02 0.00 -3.12 0.00 0.00 179.24 176.71 2i2r n TYR 133 N -2.06 0.21 0.11 0.00 -0.00 -0.66 -0.10 117.16 114.66 2i2r n TYR 133 Ca -0.07 0.10 -0.12 0.00 -0.00 0.00 0.00 57.90 57.80 2i2r n TYR 133 Cb 0.52 -0.66 -0.08 0.00 -0.00 0.00 0.00 39.34 39.12 2i2r n TYR 133 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.86 177.79 2i2r h GLU 134 N 0.00 -0.31 0.00 -3.48 4.39 -1.77 -3.04 114.58 110.37 2i2r h GLU 134 Ca 0.00 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 2i2r h GLU 134 Cb 0.13 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2i2r h GLU 134 CO 0.00 0.04 -0.36 0.93 -1.16 0.00 0.00 179.01 178.47 2i2r h GLU 135 N -0.76 0.00 -0.11 2.33 4.39 -1.30 -2.78 114.58 116.35 2i2r h GLU 135 Ca -0.03 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2i2r h GLU 135 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2i2r h GLU 135 CO 0.05 0.36 -0.35 -0.92 -1.16 0.00 0.00 179.01 177.00 2i2r h TYR 136 N 0.00 0.25 0.21 4.33 5.03 -0.63 -3.10 116.97 123.06 2i2r h TYR 136 Ca -0.00 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.24 2i2r h TYR 136 Cb 1.15 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.37 2i2r h TYR 136 CO 0.00 0.55 -0.10 0.87 -1.32 0.00 0.00 178.16 178.16 2i2r h LYS 137 N 0.19 -0.27 0.00 1.82 1.79 -1.40 -3.21 116.57 115.50 2i2r h LYS 137 Ca 0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2i2r h LYS 137 Cb 0.71 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2i2r h LYS 137 CO 0.05 -0.18 0.00 -0.25 -1.08 0.00 0.00 179.45 178.00 2i2r n ASP 138 N -3.10 0.00 -2.16 0.86 9.92 -1.06 -1.17 116.55 119.84 2i2r n ASP 138 Ca -0.03 0.12 0.02 0.00 -0.53 0.00 0.00 54.79 54.36 2i2r n ASP 138 Cb 0.11 -0.12 0.03 0.00 -0.64 0.00 0.00 41.12 40.50 2i2r n ASP 138 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2i2r n ARG 139 N -1.11 0.85 0.00 -1.24 1.85 -1.17 -5.09 116.66 110.75 2i2r n ARG 139 Ca 0.00 -2.73 0.00 0.00 -1.00 0.00 0.00 57.85 54.12 2i2r n ARG 139 Cb 0.00 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 2i2r n ARG 139 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25