#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 3.08 0.19 0.00 0.00 -1.26 -4.19 105.19 103.00 2i2r n GLY 4 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.21 2i2r n GLY 4 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2i2r h VAL 5 N 3.52 0.62 -0.80 1.61 3.04 -2.06 -3.14 116.25 119.03 2i2r h VAL 5 Ca 0.00 -1.56 0.17 0.00 -1.01 0.00 0.00 66.70 64.29 2i2r h VAL 5 Cb 1.59 2.07 -0.05 0.00 -2.01 0.00 0.00 31.29 32.88 2i2r h VAL 5 CO 0.30 0.31 0.53 0.00 -1.01 0.00 0.00 177.57 177.70 2i2r h ALA 6 N 1.69 2.16 0.00 3.17 0.00 -2.04 -0.74 119.26 123.50 2i2r h ALA 6 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2i2r h ALA 6 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2i2r h ALA 6 CO 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.91 2i2r n ALA 7 N -2.53 2.34 -0.01 0.00 0.00 -1.19 -2.53 120.51 116.60 2i2r n ALA 7 Ca 0.16 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.55 2i2r n ALA 7 Cb 0.59 -1.39 -0.16 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.06 0.00 -0.28 0.00 7.02 -0.29 -4.61 117.44 118.23 2i2r n TRP 8 Ca 0.16 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.68 2i2r n TRP 8 Cb 0.10 -0.48 0.17 0.00 -2.42 0.00 0.00 31.31 28.69 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 0.56 -2.69 -0.99 3.38 -1.50 -2.36 115.31 111.71 2i2r h LEU 9 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2i2r h LEU 9 Cb 0.97 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2i2r h LEU 9 CO 0.00 0.30 0.04 1.55 0.09 0.00 0.00 178.44 180.42 2i2r h PRO 10 N 0.68 0.00 0.00 1.13 0.13 -1.81 0.32 132.00 132.44 2i2r h PRO 10 Ca 0.40 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.43 2i2r h PRO 10 Cb 0.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2i2r h PRO 10 CO -0.29 0.00 -0.47 0.74 -0.23 0.00 0.00 178.00 177.75 2i2r h PHE 11 N 0.00 0.00 0.13 1.56 0.05 -1.75 -0.61 116.94 116.32 2i2r h PHE 11 Ca 0.01 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 2i2r h PHE 11 Cb 0.09 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.04 2i2r h PHE 11 CO 0.00 0.47 -0.06 0.00 -0.18 0.00 0.00 178.31 178.54 2i2r h ALA 12 N 1.53 -0.17 -1.01 2.45 0.00 -0.57 -3.32 119.26 118.17 2i2r h ALA 12 Ca -0.00 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 54.97 2i2r h ALA 12 Cb 0.86 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2i2r h ALA 12 CO 0.06 -0.21 0.71 0.07 0.00 0.00 0.00 179.25 179.88 2i2r h ARG 13 N -0.94 0.11 -0.59 0.00 0.11 -0.93 0.30 114.38 112.45 2i2r h ARG 13 Ca -0.02 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2i2r h ARG 13 Cb 0.49 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.51 2i2r h ARG 13 CO 0.03 0.08 0.38 0.00 0.10 0.00 0.00 179.97 180.55 2i2r h ALA 14 N 1.53 1.55 0.00 0.08 0.00 -1.21 -2.58 119.26 118.63 2i2r h ALA 14 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2i2r h ALA 14 Cb 1.78 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2i2r h ALA 14 CO -0.08 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2i2r n ALA 15 N -2.45 2.43 -0.07 0.00 0.00 0.09 -3.51 120.51 117.00 2i2r n ALA 15 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 2i2r n ALA 15 Cb 0.06 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 17.91 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 3.34 -0.00 -0.95 0.00 0.00 -1.53 -3.47 119.26 116.64 2i2r h ALA 16 Ca 0.00 -0.48 -0.73 0.00 0.00 0.00 0.00 54.91 53.70 2i2r h ALA 16 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2i2r h ALA 16 CO 0.00 -0.00 1.19 -0.89 0.00 0.00 0.00 179.25 179.54 2i2r n ILE 17 N -4.62 0.17 0.00 0.00 5.41 -1.23 -2.42 119.36 116.67 2i2r n ILE 17 Ca -0.10 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2i2r n ILE 17 Cb 0.46 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 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 5.90 0.92 0.00 7.39 0.00 -1.26 -5.08 105.19 113.05 2i2r n GLY 18 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.88 1.61 4.27 -1.01 -5.15 117.44 115.27 2i2r n TRP 19 Ca 0.00 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.59 2i2r n TRP 19 Cb 0.00 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 29.94 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 -1.53 -1.01 -2.67 2.81 -1.26 -4.66 117.12 108.79 2i2r n MET 20 Ca 0.00 1.49 -0.04 0.00 -1.81 0.00 0.00 57.70 57.34 2i2r n MET 20 Cb 0.00 -2.43 -0.02 0.00 -0.71 0.00 0.00 33.22 30.06 2i2r n MET 20 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2i2r n PRO 21 N 0.53 0.01 0.30 0.03 -0.02 -1.26 -4.39 135.00 130.19 2i2r n PRO 21 Ca -0.12 -0.20 0.19 0.00 -2.02 0.00 0.00 63.50 61.35 2i2r n PRO 21 Cb 0.19 -1.33 0.91 0.00 -0.02 0.00 0.00 33.50 33.25 2i2r n PRO 21 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2i2r h VAL 22 N 6.07 0.08 0.00 -1.45 3.04 -1.92 0.79 116.25 122.87 2i2r h VAL 22 Ca 0.02 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 2i2r h VAL 22 Cb 0.79 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2i2r h VAL 22 CO 0.87 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 177.45 2i2r n ALA 23 N -2.11 1.69 -0.02 3.17 0.00 -1.26 -1.57 120.51 120.41 2i2r n ALA 23 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2i2r n ALA 23 Cb 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2i2r n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2i2r n ASN 24 N -0.91 0.00 -2.52 0.00 0.23 0.15 -5.11 115.26 107.11 2i2r n ASN 24 Ca 0.03 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.05 2i2r n ASN 24 Cb 0.02 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 2i2r n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i2r h PRO 26 N 3.41 0.00 -6.04 0.00 0.13 -1.85 -3.47 132.00 124.18 2i2r h PRO 26 Ca -0.37 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.52 2i2r h PRO 26 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2i2r h PRO 26 CO 0.03 0.00 -0.53 0.00 -0.23 0.00 0.00 178.00 177.27 2i2r n MET 27 N -3.61 -1.43 0.00 0.86 3.85 -1.26 -4.67 117.12 110.86 2i2r n MET 27 Ca -0.02 1.13 0.00 0.00 -1.00 0.00 0.00 57.70 57.81 2i2r n MET 27 Cb 0.11 -4.09 0.00 0.00 -1.05 0.00 0.00 33.22 28.19 2i2r n MET 27 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2i2r n PRO 28 N -2.22 0.00 0.01 3.17 -0.02 -1.26 -5.17 135.00 129.51 2i2r n PRO 28 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2i2r n PRO 28 Cb 0.59 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 2i2r n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2i2r n LEU 29 N -0.15 -0.19 -1.43 2.45 4.32 -1.26 -4.49 117.00 116.25 2i2r n LEU 29 Ca 0.00 0.05 -0.15 0.00 -0.02 0.00 0.00 56.01 55.88 2i2r n LEU 29 Cb 0.00 0.53 -0.04 0.00 -1.62 0.00 0.00 43.42 42.29 2i2r n LEU 29 CO 0.00 -0.33 -0.17 -0.46 -1.22 0.00 0.00 177.39 175.21 2i2r n ASN 35 N -2.30 -4.77 0.00 -1.43 6.94 -1.26 -5.14 115.26 107.29 2i2r n ASN 35 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 2i2r n ASN 35 Cb 0.00 -3.75 0.00 0.00 -2.36 0.00 0.00 39.78 33.67 2i2r n ASN 35 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2i2r n LYS 36 N -2.52 0.00 0.00 -3.83 5.02 -1.26 -5.20 118.16 110.37 2i2r n LYS 36 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 2i2r n LYS 36 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2i2r n LYS 36 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2i2r n ARG 37 N 0.00 0.00 -0.87 1.97 0.00 -1.26 -5.18 116.66 111.32 2i2r n ARG 37 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 2i2r n ARG 37 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 32.46 32.54 2i2r n ARG 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2i2r n GLN 38 N -0.50 -0.59 -5.17 2.89 6.02 -1.26 -5.03 117.38 113.74 2i2r n GLN 38 Ca 0.00 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 2i2r n GLN 38 Cb 0.00 -1.23 -0.15 0.00 1.02 0.00 0.00 30.24 29.88 2i2r n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2i2r s ASP 39 N -1.29 3.24 0.17 1.08 3.68 -1.26 -5.04 116.67 117.26 2i2r s ASP 39 Ca 0.41 -0.44 0.09 0.00 2.13 0.00 0.00 52.55 54.73 2i2r s ASP 39 Cb 0.03 -0.42 -0.04 0.00 -1.45 0.00 0.00 42.92 41.04 2i2r s ASP 39 CO 0.62 0.31 -0.19 -1.61 0.13 0.00 0.00 175.17 174.43 2i2r s GLU 40 N -0.74 1.33 0.10 4.34 2.02 -1.26 -5.01 118.70 119.47 2i2r s GLU 40 Ca 0.11 -1.44 -0.24 0.00 0.02 0.00 0.00 54.97 53.41 2i2r s GLU 40 Cb -0.10 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.63 2i2r s GLU 40 CO -0.00 0.29 0.75 -0.51 0.02 0.00 0.00 175.26 175.81 2i2r s LEU 41 N -2.69 4.52 0.19 1.80 1.02 -1.26 -0.54 118.68 121.72 2i2r s LEU 41 Ca 0.17 1.51 0.07 0.00 0.02 0.00 0.00 54.13 55.90 2i2r s LEU 41 Cb -0.06 -3.22 -0.04 0.00 0.02 0.00 0.00 46.19 42.89 2i2r s LEU 41 CO 0.07 0.13 0.07 0.27 0.02 0.00 0.00 176.35 176.92 2i2r s ILE 42 N -0.66 4.05 -0.24 -0.59 -4.36 0.18 -4.89 121.20 114.68 2i2r s ILE 42 Ca 0.36 -1.35 -0.00 0.00 -0.26 0.00 0.00 60.65 59.40 2i2r s ILE 42 Cb -0.22 -3.08 0.03 0.00 1.25 0.00 0.00 42.46 40.45 2i2r s ILE 42 CO 0.24 -0.17 -0.10 -0.69 0.24 0.00 0.00 174.94 174.47 2i2r s VAL 43 N -1.85 2.55 -0.46 8.37 1.01 -1.26 -2.10 120.40 126.66 2i2r s VAL 43 Ca 0.30 -1.17 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2i2r s VAL 43 Cb -0.09 -2.31 0.10 0.00 0.00 0.00 0.00 36.38 34.08 2i2r s VAL 43 CO 0.21 0.20 0.35 -0.76 0.00 0.00 0.00 175.10 175.09 2i2r s LEU 44 N 1.26 5.56 -0.36 3.92 1.43 0.18 -2.64 118.68 128.04 2i2r s LEU 44 Ca -0.01 -1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 51.15 2i2r s LEU 44 Cb -0.17 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2i2r s LEU 44 CO -0.06 -0.65 1.34 0.21 0.23 0.00 0.00 176.35 177.42 2i2r s ASN 45 N 2.59 6.53 -0.47 2.29 3.84 0.15 -0.06 114.94 129.81 2i2r s ASN 45 Ca 0.04 1.01 0.04 0.00 0.21 0.00 0.00 52.86 54.15 2i2r s ASN 45 Cb -0.25 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.03 2i2r s ASN 45 CO 0.02 -1.24 0.21 -0.69 -2.79 0.00 0.00 177.10 172.61 2i2r s VAL 46 N 4.82 2.55 -0.48 -5.21 1.01 0.70 -0.37 120.40 123.43 2i2r s VAL 46 Ca 0.58 -3.03 0.00 0.00 0.00 0.00 0.00 61.98 59.53 2i2r s VAL 46 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2i2r s VAL 46 CO 0.28 -0.75 0.00 -1.54 0.00 0.00 0.00 175.10 173.09 2i2r n SER 47 N 3.45 -5.10 0.00 3.32 3.41 -0.66 -2.78 113.62 115.26 2i2r n SER 47 Ca 0.05 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2i2r n SER 47 Cb 0.35 -2.99 0.00 0.00 -0.26 0.00 0.00 64.21 61.31 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 -0.37 2.69 3.63 5.00 0.00 -1.26 -5.05 105.19 109.83 2i2r n GLY 48 Ca -0.04 -0.58 -0.52 0.00 0.00 0.00 0.00 46.02 44.88 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 1.56 -2.91 1.61 5.12 -1.12 -4.88 116.66 116.04 2i2r n ARG 49 Ca 0.00 0.54 -0.44 0.00 -1.93 0.00 0.00 57.85 56.02 2i2r n ARG 49 Cb 0.00 -2.43 -0.03 0.00 -1.16 0.00 0.00 32.46 28.84 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 4.52 3.43 0.39 5.56 0.52 -1.26 -0.22 118.95 131.89 2i2r s ARG 50 Ca 0.99 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 54.49 2i2r s ARG 50 Cb -0.85 -4.70 -0.09 0.00 0.52 0.00 0.00 34.95 29.82 2i2r s ARG 50 CO 0.55 -1.78 1.02 -0.06 0.02 0.00 0.00 175.30 175.05 2i2r s PHE 51 N 3.12 3.35 -0.02 -0.53 0.08 0.91 -4.86 117.98 120.04 2i2r s PHE 51 Ca 0.29 1.67 0.03 0.00 0.12 0.00 0.00 56.93 59.04 2i2r s PHE 51 Cb -0.09 -3.07 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 2i2r s PHE 51 CO -0.03 -0.42 -0.11 -0.65 -0.10 0.00 0.00 175.22 173.91 2i2r s GLN 52 N -2.47 0.99 0.07 0.44 -0.21 -1.26 0.51 119.66 117.73 2i2r s GLN 52 Ca 0.57 -0.37 -0.21 0.00 0.02 0.00 0.00 55.36 55.37 2i2r s GLN 52 Cb -0.20 -0.93 0.05 0.00 1.00 0.00 0.00 33.01 32.93 2i2r s GLN 52 CO 0.26 0.18 0.50 -0.08 -2.12 0.00 0.00 175.29 174.03 2i2r s THR 53 N -0.04 0.04 0.28 -0.19 -1.32 -0.89 -4.99 115.64 108.52 2i2r s THR 53 Ca 0.01 -0.29 -0.29 0.00 -1.21 0.00 0.00 61.69 59.90 2i2r s THR 53 Cb -0.07 -1.01 -0.10 0.00 -1.51 0.00 0.00 72.50 69.82 2i2r s THR 53 CO 0.00 -0.16 1.24 0.26 -2.21 0.00 0.00 174.62 173.75 2i2r s TRP 54 N -2.80 3.26 0.18 9.09 0.52 -1.26 0.49 118.94 128.42 2i2r s TRP 54 Ca -0.03 1.45 -0.13 0.00 0.02 0.00 0.00 56.10 57.41 2i2r s TRP 54 Cb -0.00 -3.54 0.18 0.00 -1.15 0.00 0.00 33.47 28.95 2i2r s TRP 54 CO -0.05 -1.47 1.75 -0.09 0.02 0.00 0.00 176.95 177.11 2i2r h ARG 55 N 4.02 0.34 -0.99 4.98 2.43 -1.16 0.41 114.38 124.41 2i2r h ARG 55 Ca -0.47 -0.02 0.20 0.00 -0.81 0.00 0.00 59.98 58.88 2i2r h ARG 55 Cb 1.22 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 2i2r h ARG 55 CO 0.69 0.23 0.62 1.79 -1.51 0.00 0.00 179.97 181.78 2i2r h THR 56 N 0.35 0.68 -0.76 0.20 1.35 -1.92 -0.22 112.91 112.59 2i2r h THR 56 Ca 0.24 -0.23 0.11 0.00 -0.55 0.00 0.00 66.41 65.99 2i2r h THR 56 Cb 0.26 -0.03 -0.05 0.00 -1.73 0.00 0.00 68.15 66.60 2i2r h THR 56 CO -0.25 0.12 0.50 0.74 -0.25 0.00 0.00 175.52 176.38 2i2r h THR 57 N 0.66 0.89 0.23 6.82 2.02 -0.54 -1.76 112.91 121.23 2i2r h THR 57 Ca 0.56 -0.20 -0.31 0.00 0.77 0.00 0.00 66.41 67.22 2i2r h THR 57 Cb 1.02 0.24 0.03 0.00 -1.74 0.00 0.00 68.15 67.70 2i2r h THR 57 CO -0.33 0.11 -1.41 -0.07 0.37 0.00 0.00 175.52 174.19 2i2r h LEU 58 N 0.59 0.76 -1.37 2.58 3.38 -1.02 -3.27 115.31 116.97 2i2r h LEU 58 Ca 0.36 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.40 2i2r h LEU 58 Cb 0.59 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2i2r h LEU 58 CO -0.13 1.67 0.16 -0.33 0.09 0.00 0.00 178.44 179.90 2i2r h GLU 59 N 0.05 0.00 -0.71 1.13 5.08 -0.76 -3.03 114.58 116.33 2i2r h GLU 59 Ca -0.25 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2i2r h GLU 59 Cb 2.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 2i2r h GLU 59 CO 0.24 0.00 0.47 -0.09 -1.00 0.00 0.00 179.01 178.64 2i2r h ARG 60 N 0.00 0.88 -3.00 2.33 2.43 -1.55 -3.12 114.38 112.35 2i2r h ARG 60 Ca 0.00 -0.05 -0.62 0.00 -0.81 0.00 0.00 59.98 58.50 2i2r h ARG 60 Cb 0.32 -0.20 -0.41 0.00 -0.42 0.00 0.00 29.97 29.26 2i2r h ARG 60 CO 0.00 0.58 -0.65 0.71 -1.51 0.00 0.00 179.97 179.10 2i2r s TYR 61 N -5.77 3.02 1.08 2.20 1.51 -1.14 -5.09 117.35 113.15 2i2r s TYR 61 Ca -0.10 -3.09 -0.15 0.00 -1.01 0.00 0.00 57.07 52.72 2i2r s TYR 61 Cb 0.18 -2.38 0.23 0.00 -0.11 0.00 0.00 41.96 39.88 2i2r s TYR 61 CO 0.77 -0.63 1.09 -1.25 -1.11 0.00 0.00 175.55 174.43 2i2r s PRO 62 N -0.95 -0.24 -1.19 -1.71 0.04 -1.18 -3.31 135.00 126.46 2i2r s PRO 62 Ca 0.25 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2i2r s PRO 62 Cb -0.07 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2i2r s PRO 62 CO -0.14 -3.14 0.00 -0.40 0.04 0.00 0.00 177.00 173.36 2i2r n ASP 63 N -4.43 -4.68 -4.18 6.66 3.85 -1.26 -4.81 116.55 107.70 2i2r n ASP 63 Ca 0.07 0.28 -0.26 0.00 -0.71 0.00 0.00 54.79 54.17 2i2r n ASP 63 Cb 0.58 -3.17 -0.16 0.00 -1.35 0.00 0.00 41.12 37.03 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 -2.31 1.50 0.00 2.12 -4.23 -1.21 -4.93 115.64 106.59 2i2r s THR 64 Ca 0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 2i2r s THR 64 Cb 0.00 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2i2r s THR 64 CO 0.00 0.43 0.00 -0.11 -0.54 0.00 0.00 174.62 174.40 2i2r n LEU 65 N 2.78 0.00 -0.02 4.79 0.00 -0.82 0.94 117.00 124.67 2i2r n LEU 65 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 55.68 2i2r n LEU 65 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.87 2i2r n LEU 65 CO 0.24 0.00 0.32 -0.07 0.00 0.00 0.00 177.39 177.89 2i2r h LEU 66 N 0.00 0.70 -2.57 -1.96 4.07 -1.92 -2.86 115.31 110.77 2i2r h LEU 66 Ca 0.00 -0.65 -0.00 0.00 0.08 0.00 0.00 57.88 57.30 2i2r h LEU 66 Cb 0.00 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 2i2r h LEU 66 CO 0.00 1.24 -0.02 1.23 -1.08 0.00 0.00 178.44 179.81 2i2r h GLY 67 N 0.20 0.00 0.00 0.83 0.00 0.46 -3.44 103.07 101.12 2i2r h GLY 67 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2i2r h GLY 67 CO 0.12 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.52 2i2r n SER 68 N -3.37 0.13 0.11 0.19 3.41 0.99 -4.17 113.62 110.90 2i2r n SER 68 Ca -0.03 -0.27 0.03 0.00 -0.26 0.00 0.00 58.87 58.35 2i2r n SER 68 Cb 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.02 0.61 -0.79 6.66 1.03 -1.85 -3.38 112.91 115.20 2i2r h THR 69 Ca 0.00 -1.94 0.18 0.00 -0.01 0.00 0.00 66.41 64.65 2i2r h THR 69 Cb 0.00 2.19 -0.14 0.00 -1.07 0.00 0.00 68.15 69.13 2i2r h THR 69 CO 0.00 0.35 -0.03 -0.08 -0.01 0.00 0.00 175.52 175.75 2i2r h GLU 70 N 0.00 0.07 0.00 0.00 4.81 -1.92 -0.09 114.58 117.45 2i2r h GLU 70 Ca -0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2i2r h GLU 70 Cb 1.37 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.74 2i2r h GLU 70 CO 0.05 0.05 0.28 1.57 -0.73 0.00 0.00 179.01 180.23 2i2r h LYS 71 N 0.07 0.00 -0.35 1.92 2.10 -1.69 -0.71 116.57 117.92 2i2r h LYS 71 Ca 0.43 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 59.18 2i2r h LYS 71 Cb 0.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2i2r h LYS 71 CO -0.73 0.00 0.26 1.49 -2.00 0.00 0.00 179.45 178.47 2i2r h GLU 72 N 0.00 0.00 0.00 0.07 4.57 -1.31 0.98 114.58 118.89 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 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 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 -4.38 0.00 -0.02 0.92 3.72 -0.27 -2.38 117.46 115.06 2i2r n PHE 73 Ca 0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.47 2i2r n PHE 73 Cb 0.43 -0.38 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.38 0.12 -2.96 1.38 3.01 0.33 -5.00 117.46 112.96 2i2r n PHE 74 Ca 0.04 -0.41 -0.40 0.00 1.01 0.00 0.00 57.45 57.69 2i2r n PHE 74 Cb 0.10 -0.04 -0.05 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 -0.87 3.78 -0.30 1.38 2.19 -1.00 -1.54 117.98 121.62 2i2r s PHE 75 Ca 0.07 1.53 -0.11 0.00 0.33 0.00 0.00 56.93 58.75 2i2r s PHE 75 Cb 0.04 -2.83 -0.03 0.00 -1.31 0.00 0.00 43.02 38.89 2i2r s PHE 75 CO 0.05 0.32 0.18 1.21 1.83 0.00 0.00 175.22 178.81 2i2r s ASN 76 N -0.29 5.84 0.20 6.13 3.84 0.24 -4.95 114.94 125.94 2i2r s ASN 76 Ca 0.39 -0.24 -0.11 0.00 0.21 0.00 0.00 52.86 53.10 2i2r s ASN 76 Cb -0.21 -2.08 0.24 0.00 -0.55 0.00 0.00 41.25 38.65 2i2r s ASN 76 CO 0.24 -0.13 1.71 -0.08 -2.79 0.00 0.00 177.10 176.06 2i2r h GLU 77 N 8.38 0.24 0.00 0.43 4.57 -1.96 0.86 114.58 127.12 2i2r h GLU 77 Ca -0.34 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2i2r h GLU 77 Cb 1.17 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2i2r h GLU 77 CO 0.59 0.16 0.00 -0.25 -1.18 0.00 0.00 179.01 178.33 2i2r n ASP 78 N -5.12 0.00 0.16 1.04 8.00 -1.26 -3.51 116.55 115.86 2i2r n ASP 78 Ca 0.07 0.61 0.07 0.00 0.71 0.00 0.00 54.79 56.25 2i2r n ASP 78 Cb 0.28 -0.44 0.40 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.83 0.72 -3.24 -3.53 -2.24 -1.25 -4.79 114.28 98.12 2i2r n THR 79 Ca 0.00 0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 62.28 2i2r n THR 79 Cb 0.00 -1.74 0.04 0.00 -2.10 0.00 0.00 70.33 66.53 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 -2.08 -5.23 -3.76 -0.78 3.00 0.28 -4.98 118.16 104.62 2i2r n LYS 80 Ca -0.01 0.80 -0.11 0.00 -0.00 0.00 0.00 58.31 58.99 2i2r n LYS 80 Cb 0.26 -5.68 -0.07 0.00 0.00 0.00 0.00 35.03 29.54 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 -5.93 0.82 0.05 1.64 -1.05 -1.13 -4.92 118.70 108.18 2i2r s GLU 81 Ca 0.40 -0.56 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 2i2r s GLU 81 Cb -0.18 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.81 2i2r s GLU 81 CO 0.49 -0.27 1.13 0.71 0.95 0.00 0.00 175.26 178.27 2i2r s TYR 82 N -2.73 3.52 -0.07 4.83 1.51 -1.08 -0.60 117.35 122.73 2i2r s TYR 82 Ca -0.04 1.44 0.05 0.00 -1.01 0.00 0.00 57.07 57.51 2i2r s TYR 82 Cb -0.00 -3.32 -0.01 0.00 -0.11 0.00 0.00 41.96 38.52 2i2r s TYR 82 CO -0.04 -0.85 -0.24 0.12 -1.11 0.00 0.00 175.55 173.43 2i2r s PHE 83 N 0.98 2.40 -0.10 2.71 5.36 -0.59 0.34 117.98 129.08 2i2r s PHE 83 Ca 0.56 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 2i2r s PHE 83 Cb -0.27 -1.59 0.02 0.00 -0.34 0.00 0.00 43.02 40.84 2i2r s PHE 83 CO 0.29 -0.29 -0.14 -0.06 -1.46 0.00 0.00 175.22 173.56 2i2r s PHE 84 N 0.06 1.81 -0.19 10.12 0.08 0.51 -4.85 117.98 125.51 2i2r s PHE 84 Ca -0.10 -0.82 -0.00 0.00 0.12 0.00 0.00 56.93 56.13 2i2r s PHE 84 Cb -0.15 -1.32 0.13 0.00 -0.57 0.00 0.00 43.02 41.11 2i2r s PHE 84 CO 0.05 -0.43 1.97 -3.47 -0.10 0.00 0.00 175.22 173.24 2i2r n ASP 85 N 4.19 5.88 -5.00 1.36 2.03 -1.26 -1.66 116.55 122.09 2i2r n ASP 85 Ca -0.19 -2.79 -0.20 0.00 0.52 0.00 0.00 54.79 52.13 2i2r n ASP 85 Cb 0.51 -1.06 0.06 0.00 -0.72 0.00 0.00 41.12 39.91 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 -1.10 2.30 0.14 -0.67 1.81 -1.26 -4.93 118.95 115.24 2i2r s ARG 86 Ca 0.19 -1.55 -0.31 0.00 -1.72 0.00 0.00 55.73 52.34 2i2r s ARG 86 Cb 0.15 -2.63 -0.09 0.00 -0.45 0.00 0.00 34.95 31.93 2i2r s ARG 86 CO -0.00 -0.85 1.42 0.34 -0.68 0.00 0.00 175.30 175.53 2i2r s ASP 87 N -4.64 6.77 0.20 0.23 2.15 -1.26 -4.19 116.67 115.93 2i2r s ASP 87 Ca 0.62 2.41 0.10 0.00 0.43 0.00 0.00 52.55 56.11 2i2r s ASP 87 Cb -0.06 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.01 2i2r s ASP 87 CO 0.39 -0.68 1.43 1.55 -0.17 0.00 0.00 175.17 177.68 2i2r h PRO 88 N 6.56 0.00 0.44 4.34 0.13 -1.95 -3.26 132.00 138.26 2i2r h PRO 88 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2i2r h PRO 88 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2i2r h PRO 88 CO 0.86 0.79 -0.21 1.49 -0.23 0.00 0.00 178.00 180.70 2i2r h GLU 89 N 0.00 -0.57 -0.98 0.86 4.57 -1.93 -3.10 114.58 113.43 2i2r h GLU 89 Ca -0.01 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2i2r h GLU 89 Cb 1.47 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 30.13 2i2r h GLU 89 CO 0.10 -0.29 0.64 0.28 -1.18 0.00 0.00 179.01 178.56 2i2r h VAL 90 N -0.77 1.15 -1.00 0.32 2.07 -1.99 -0.28 116.25 115.76 2i2r h VAL 90 Ca -0.06 -0.42 0.29 0.00 0.82 0.00 0.00 66.70 67.33 2i2r h VAL 90 Cb 0.54 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2i2r h VAL 90 CO 0.10 0.22 0.77 0.15 0.02 0.00 0.00 177.57 178.83 2i2r h PHE 91 N 1.22 0.00 -0.53 1.57 3.57 -1.58 0.47 116.94 121.66 2i2r h PHE 91 Ca 0.40 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.99 2i2r h PHE 91 Cb 0.04 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.70 2i2r h PHE 91 CO -0.00 0.00 0.11 0.00 -2.23 0.00 0.00 178.31 176.18 2i2r h ARG 92 N 0.00 0.23 -0.08 1.11 3.08 -1.01 0.62 114.38 118.33 2i2r h ARG 92 Ca 0.47 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2i2r h ARG 92 Cb 2.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 32.01 2i2r h ARG 92 CO -0.00 0.15 -0.04 0.00 -1.07 0.00 0.00 179.97 179.01 2i2r h VAL 94 N -0.21 0.61 0.01 0.00 2.07 -1.35 0.36 116.25 117.74 2i2r h VAL 94 Ca 0.02 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 2i2r h VAL 94 Cb 0.49 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2i2r h VAL 94 CO 0.01 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.85 2i2r h LEU 95 N 0.01 -0.02 -2.72 2.57 5.85 -0.72 -2.48 115.31 117.81 2i2r h LEU 95 Ca 0.19 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2i2r h LEU 95 Cb 0.29 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 2i2r h LEU 95 CO -0.40 0.01 0.05 0.78 -0.34 0.00 0.00 178.44 178.54 2i2r h ASN 96 N -0.05 0.00 0.09 1.25 2.35 0.54 0.18 115.58 119.95 2i2r h ASN 96 Ca -0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2i2r h ASN 96 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2i2r h ASN 96 CO 0.00 0.00 -0.43 0.15 -1.65 0.00 0.00 177.43 175.50 2i2r h PHE 97 N 0.00 0.50 0.00 1.19 3.04 0.14 -2.69 116.94 119.11 2i2r h PHE 97 Ca 0.01 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 61.77 2i2r h PHE 97 Cb 0.10 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2i2r h PHE 97 CO 0.00 0.78 -0.20 1.88 -2.02 0.00 0.00 178.31 178.76 2i2r h TYR 98 N 0.35 0.00 0.00 0.41 -1.99 -0.57 -3.38 116.97 111.79 2i2r h TYR 98 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2i2r h TYR 98 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 2i2r h TYR 98 CO 0.03 0.20 0.00 0.54 -0.00 0.00 0.00 178.16 178.92 2i2r n ARG 99 N -3.29 0.00 -2.36 4.88 1.74 -1.01 -4.82 116.66 111.80 2i2r n ARG 99 Ca 0.01 0.16 -0.33 0.00 -0.77 0.00 0.00 57.85 56.92 2i2r n ARG 99 Cb 0.46 -0.63 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.35 4.18 0.56 0.55 -4.23 -1.04 -4.97 115.64 110.33 2i2r s THR 100 Ca 0.00 1.12 0.27 0.00 -1.18 0.00 0.00 61.69 61.90 2i2r s THR 100 Cb 0.00 -3.56 0.39 0.00 1.34 0.00 0.00 72.50 70.67 2i2r s THR 100 CO 0.00 -0.52 1.99 1.23 -0.54 0.00 0.00 174.62 176.78 2i2r h GLY 101 N 0.98 0.00 -4.64 3.99 0.00 -1.85 -3.38 103.07 98.17 2i2r h GLY 101 Ca -0.47 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.31 2i2r h GLY 101 CO 0.60 0.00 0.21 0.54 0.00 0.00 0.00 176.54 177.88 2i2r s LYS 102 N -4.85 4.51 -0.25 4.80 1.02 -1.26 -4.88 119.74 118.83 2i2r s LYS 102 Ca -0.05 1.13 -0.14 0.00 0.02 0.00 0.00 55.97 56.93 2i2r s LYS 102 Cb 0.18 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2i2r s LYS 102 CO 0.66 0.11 0.33 -1.17 -0.92 0.00 0.00 175.35 174.36 2i2r s LEU 103 N 0.52 4.07 -0.01 3.17 2.96 -1.26 -4.10 118.68 124.03 2i2r s LEU 103 Ca 0.42 0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2i2r s LEU 103 Cb -0.20 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2i2r s LEU 103 CO 0.23 -0.12 0.07 -1.00 -1.32 0.00 0.00 176.35 174.22 2i2r s HIS 104 N 1.76 3.27 -0.45 5.38 3.76 -1.26 -3.21 115.29 124.55 2i2r s HIS 104 Ca 0.14 0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 55.05 2i2r s HIS 104 Cb -0.15 -1.74 0.03 0.00 1.11 0.00 0.00 32.58 31.83 2i2r s HIS 104 CO 0.09 0.55 0.64 -0.47 -0.85 0.00 0.00 174.74 174.69 2i2r s TYR 105 N -1.18 3.06 -0.51 1.40 5.04 -1.26 -4.96 117.35 118.93 2i2r s TYR 105 Ca 0.22 -0.16 -0.27 0.00 -2.44 0.00 0.00 57.07 54.43 2i2r s TYR 105 Cb -0.12 -3.37 -0.08 0.00 0.35 0.00 0.00 41.96 38.74 2i2r s TYR 105 CO 0.13 -0.90 2.43 -0.35 -1.34 0.00 0.00 175.55 175.52 2i2r n PRO 106 N 6.24 1.01 0.00 4.97 -0.04 -1.26 -4.81 135.00 141.12 2i2r n PRO 106 Ca -0.03 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2i2r n PRO 106 Cb 0.47 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2i2r n PRO 106 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i2r n ARG 107 N 8.94 0.05 0.00 0.54 1.74 -1.26 -1.75 116.66 124.92 2i2r n ARG 107 Ca 0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2i2r n ARG 107 Cb 0.49 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.84 0.00 -1.35 -1.55 0.18 -1.26 -5.10 117.16 108.93 2i2r n TYR 108 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 2i2r n TYR 108 Cb 0.02 0.09 0.10 0.00 -0.38 0.00 0.00 39.34 39.18 2i2r n TYR 108 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2i2r n GLU 109 N -2.40 0.54 -2.35 -3.48 -0.58 -0.72 -4.95 120.64 106.70 2i2r n GLU 109 Ca 0.00 0.25 -0.41 0.00 -0.42 0.00 0.00 57.16 56.58 2i2r n GLU 109 Cb 0.29 -2.46 -0.03 0.00 -0.57 0.00 0.00 31.44 28.67 2i2r n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2i2r h ILE 111 N 3.72 0.00 -0.59 0.00 1.08 -1.93 -2.22 117.51 117.58 2i2r h ILE 111 Ca -0.45 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.15 2i2r h ILE 111 Cb 1.21 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.86 2i2r h ILE 111 CO 0.74 0.00 0.00 -1.28 -0.69 0.00 0.00 178.15 176.93 2i2r h SER 112 N -0.13 -0.26 -1.04 1.72 0.87 -1.94 0.82 113.55 113.59 2i2r h SER 112 Ca 0.04 0.15 0.27 0.00 -1.23 0.00 0.00 61.79 61.02 2i2r h SER 112 Cb 0.25 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.38 2i2r h SER 112 CO -0.32 -0.10 0.68 0.00 -0.53 0.00 0.00 176.83 176.55 2i2r h ALA 113 N 1.54 2.27 0.00 6.23 0.00 -1.80 -2.18 119.26 125.32 2i2r h ALA 113 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2i2r h ALA 113 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2i2r h ALA 113 CO -0.51 -0.68 -1.62 0.98 0.00 0.00 0.00 179.25 177.43 2i2r n TYR 114 N -4.60 0.00 -0.05 0.00 9.36 0.10 -3.73 117.16 118.24 2i2r n TYR 114 Ca 0.25 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.34 2i2r n TYR 114 Cb 0.89 -0.32 -0.07 0.00 -0.63 0.00 0.00 39.34 39.20 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 0.29 -0.78 2.98 3.32 -0.70 -1.97 116.42 119.56 2i2r h ASP 115 Ca 0.00 -0.46 0.14 0.00 0.02 0.00 0.00 57.03 56.73 2i2r h ASP 115 Cb 0.69 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 40.02 2i2r h ASP 115 CO 0.00 0.68 -0.32 0.44 -1.72 0.00 0.00 179.24 178.32 2i2r h ASP 116 N -0.11 -1.16 -0.46 6.45 3.45 -1.56 0.30 116.42 123.32 2i2r h ASP 116 Ca 0.02 0.26 -0.04 0.00 0.43 0.00 0.00 57.03 57.70 2i2r h ASP 116 Cb 0.59 0.62 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 2i2r h ASP 116 CO 0.02 -0.29 0.12 -0.33 -1.57 0.00 0.00 179.24 177.19 2i2r h GLU 117 N -0.07 0.73 -0.56 3.56 4.39 -1.63 -2.45 114.58 118.55 2i2r h GLU 117 Ca 0.31 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2i2r h GLU 117 Cb 0.58 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2i2r h GLU 117 CO -0.82 0.72 0.37 -0.07 -1.16 0.00 0.00 179.01 178.05 2i2r h LEU 118 N 0.62 0.59 -0.65 1.33 3.38 -0.23 -1.60 115.31 118.74 2i2r h LEU 118 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2i2r h LEU 118 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2i2r h LEU 118 CO 0.00 0.41 -0.14 0.00 0.09 0.00 0.00 178.44 178.81 2i2r h ALA 119 N 1.67 0.84 0.34 1.53 0.00 -0.66 -1.83 119.26 121.15 2i2r h ALA 119 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2i2r h ALA 119 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2i2r h ALA 119 CO -0.05 0.65 -0.16 0.35 0.00 0.00 0.00 179.25 180.03 2i2r h PHE 120 N 0.81 -0.42 0.00 0.00 3.57 -0.85 -3.17 116.94 116.88 2i2r h PHE 120 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2i2r h PHE 120 Cb 0.67 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.55 2i2r h PHE 120 CO 0.04 -0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.55 2i2r n TYR 121 N -5.26 0.00 -0.63 0.41 4.01 -0.92 -4.83 117.16 109.93 2i2r n TYR 121 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2i2r n TYR 121 Cb 0.21 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.73 0.63 3.73 2.72 0.00 -0.95 -1.95 105.19 110.10 2i2r n GLY 122 Ca 0.16 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 5.40 0.06 -0.61 1.09 -0.73 -4.74 121.20 119.66 2i2r s ILE 123 Ca 0.00 0.24 -0.30 0.00 -1.10 0.00 0.00 60.65 59.49 2i2r s ILE 123 Cb 0.00 -3.49 -0.05 0.00 -1.06 0.00 0.00 42.46 37.86 2i2r s ILE 123 CO 0.00 0.43 1.07 -0.76 -0.10 0.00 0.00 174.94 175.58 2i2r s LEU 124 N 0.38 4.40 0.05 2.97 2.01 -1.26 -4.32 118.68 122.91 2i2r s LEU 124 Ca 0.09 1.85 -0.10 0.00 0.01 0.00 0.00 54.13 55.99 2i2r s LEU 124 Cb -0.11 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.49 2i2r s LEU 124 CO -0.01 -0.30 0.50 -2.65 1.01 0.00 0.00 176.35 174.89 2i2r n PRO 125 N 3.58 -0.14 -2.86 1.29 -0.01 -1.26 -1.95 135.00 133.66 2i2r n PRO 125 Ca 0.06 0.49 -0.31 0.00 -0.01 0.00 0.00 63.50 63.73 2i2r n PRO 125 Cb 0.49 -0.72 -0.02 0.00 -0.01 0.00 0.00 33.50 33.23 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 -4.27 3.84 -0.18 -0.52 0.28 -1.26 -4.22 120.64 114.30 2i2r n GLU 126 Ca 0.01 -4.82 0.05 0.00 -0.16 0.00 0.00 57.16 52.24 2i2r n GLU 126 Cb 0.08 -2.30 0.14 0.00 1.43 0.00 0.00 31.44 30.79 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 -0.20 0.51 -1.98 3.84 5.41 -0.82 -4.96 119.36 121.16 2i2r n ILE 127 Ca 0.35 -0.43 -0.42 0.00 1.00 0.00 0.00 62.75 63.26 2i2r n ILE 127 Cb 0.36 0.12 -0.03 0.00 -0.71 0.00 0.00 39.64 39.38 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 -1.61 2.67 1.22 1.39 1.01 -1.26 -4.34 121.20 120.28 2i2r s ILE 128 Ca 0.21 0.52 -0.15 0.00 0.00 0.00 0.00 60.65 61.22 2i2r s ILE 128 Cb 0.11 -3.33 0.30 0.00 0.01 0.00 0.00 42.46 39.56 2i2r s ILE 128 CO 0.13 0.06 1.01 -0.83 0.00 0.00 0.00 174.94 175.31 2i2r s GLY 129 N 0.72 1.51 0.48 6.18 0.00 -1.20 -4.62 107.32 110.40 2i2r s GLY 129 Ca 0.64 -0.34 0.22 0.00 0.00 0.00 0.00 44.72 45.24 2i2r s GLY 129 CO 0.38 0.45 2.01 -0.55 0.00 0.00 0.00 173.10 175.39 2i2r h ASP 130 N -2.79 0.00 -0.36 1.64 5.19 -1.94 -1.93 116.42 116.23 2i2r h ASP 130 Ca -0.58 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.77 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 0.46 0.17 0.03 0.00 -3.12 0.00 0.00 179.24 176.78 2i2r n TYR 133 N -2.15 0.08 0.11 0.00 -0.00 -0.74 0.09 117.16 114.55 2i2r n TYR 133 Ca -0.09 0.04 -0.12 0.00 -0.00 0.00 0.00 57.90 57.73 2i2r n TYR 133 Cb 0.61 -0.56 -0.07 0.00 -0.00 0.00 0.00 39.34 39.31 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 -0.32 0.00 -3.48 4.39 -1.77 -3.02 114.58 110.38 2i2r h GLU 134 Ca 0.00 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 2i2r h GLU 134 Cb 0.10 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2i2r h GLU 134 CO 0.00 0.04 -0.43 0.93 -1.16 0.00 0.00 179.01 178.39 2i2r h GLU 135 N -0.85 0.00 -0.16 2.33 4.39 -1.11 -2.69 114.58 116.48 2i2r h GLU 135 Ca -0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2i2r h GLU 135 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2i2r h GLU 135 CO 0.06 0.43 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.20 2i2r h TYR 136 N 0.00 0.31 0.33 4.33 5.03 -0.47 -3.09 116.97 123.40 2i2r h TYR 136 Ca -0.00 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2i2r h TYR 136 Cb 1.11 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.31 2i2r h TYR 136 CO 0.00 0.49 -0.16 0.87 -1.32 0.00 0.00 178.16 178.04 2i2r h LYS 137 N 0.26 -0.43 0.00 1.82 1.79 -1.37 -3.20 116.57 115.44 2i2r h LYS 137 Ca 0.04 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2i2r h LYS 137 Cb 0.53 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2i2r h LYS 137 CO 0.04 -0.29 0.00 -0.25 -1.08 0.00 0.00 179.45 177.87 2i2r n ASP 138 N -3.89 0.00 -2.38 0.86 9.92 -1.03 -1.29 116.55 118.73 2i2r n ASP 138 Ca -0.06 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2i2r n ASP 138 Cb 0.18 -0.22 0.04 0.00 -0.64 0.00 0.00 41.12 40.48 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 -1.22 1.30 0.00 -1.24 1.85 -1.17 -5.10 116.66 111.08 2i2r n ARG 139 Ca 0.01 -3.10 0.00 0.00 -1.00 0.00 0.00 57.85 53.76 2i2r n ARG 139 Cb 0.01 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 2i2r n ARG 139 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25