#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 2.80 0.18 0.00 0.00 -1.26 -4.10 105.19 102.81 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 -0.39 0.00 0.00 0.00 173.32 172.93 2i2r h VAL 5 N 4.16 0.59 -0.85 1.61 -1.51 -2.07 -3.16 116.25 115.03 2i2r h VAL 5 Ca 0.00 -1.63 0.17 0.00 -1.23 0.00 0.00 66.70 64.01 2i2r h VAL 5 Cb 1.58 2.13 -0.06 0.00 -2.13 0.00 0.00 31.29 32.81 2i2r h VAL 5 CO 0.29 0.31 0.56 0.00 -1.23 0.00 0.00 177.57 177.50 2i2r h ALA 6 N 1.68 2.11 0.00 5.19 0.00 -2.04 -0.97 119.26 125.23 2i2r h ALA 6 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2i2r h ALA 6 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2i2r h ALA 6 CO 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.93 2i2r n ALA 7 N -2.50 2.35 -0.07 0.00 0.00 -1.19 -2.99 120.51 116.10 2i2r n ALA 7 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 2i2r n ALA 7 Cb 0.60 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.04 0.00 -0.29 0.00 7.02 -0.37 -4.58 117.44 118.18 2i2r n TRP 8 Ca 0.17 0.00 0.23 0.00 -1.02 0.00 0.00 57.50 56.88 2i2r n TRP 8 Cb 0.09 -0.75 0.54 0.00 -2.42 0.00 0.00 31.31 28.77 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 0.37 -2.38 -0.99 3.38 -1.53 -2.27 115.31 111.90 2i2r h LEU 9 Ca -0.35 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2i2r h LEU 9 Cb 1.76 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 2i2r h LEU 9 CO 0.02 0.10 0.11 1.55 0.09 0.00 0.00 178.44 180.31 2i2r h PRO 10 N 0.34 0.00 -0.03 1.13 0.13 -1.81 0.21 132.00 131.97 2i2r h PRO 10 Ca 0.54 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.57 2i2r h PRO 10 Cb 1.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 2i2r h PRO 10 CO -0.22 0.00 -0.46 0.74 -0.23 0.00 0.00 178.00 177.84 2i2r h PHE 11 N 0.00 0.08 0.10 1.56 -1.00 -1.73 -0.05 116.94 115.90 2i2r h PHE 11 Ca 0.04 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2i2r h PHE 11 Cb 0.26 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2i2r h PHE 11 CO 0.00 0.52 -0.05 0.00 -1.61 0.00 0.00 178.31 177.17 2i2r h ALA 12 N 1.48 -0.14 -0.83 2.45 0.00 -1.07 -3.31 119.26 117.85 2i2r h ALA 12 Ca 0.00 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.89 2i2r h ALA 12 Cb 0.83 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2i2r h ALA 12 CO 0.06 -0.23 0.60 0.07 0.00 0.00 0.00 179.25 179.75 2i2r h ARG 13 N -0.84 0.00 -0.82 0.00 0.11 -0.50 0.94 114.38 113.27 2i2r h ARG 13 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2i2r h ARG 13 Cb 0.57 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 2i2r h ARG 13 CO 0.02 0.00 0.50 0.00 0.10 0.00 0.00 179.97 180.60 2i2r h ALA 14 N 1.59 1.35 0.00 0.08 0.00 -1.09 -2.81 119.26 118.38 2i2r h ALA 14 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2i2r h ALA 14 Cb 1.58 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2i2r h ALA 14 CO -0.00 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2i2r n ALA 15 N -2.41 2.34 -0.03 0.00 0.00 0.32 -3.38 120.51 117.34 2i2r n ALA 15 Ca 0.09 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2i2r n ALA 15 Cb 0.06 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.93 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 3.05 -0.01 -0.16 0.00 0.00 -1.53 -3.47 119.26 117.14 2i2r h ALA 16 Ca 0.00 -0.34 -0.48 0.00 0.00 0.00 0.00 54.91 54.09 2i2r h ALA 16 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2i2r h ALA 16 CO 0.00 -0.16 0.69 0.44 0.00 0.00 0.00 179.25 180.22 2i2r n ILE 17 N -4.76 0.00 0.00 0.00 -0.00 -1.22 -2.44 119.36 110.94 2i2r n ILE 17 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2i2r n ILE 17 Cb 0.34 -0.30 0.00 0.00 -0.00 0.00 0.00 39.64 39.68 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 3.93 1.00 0.00 3.28 0.00 -1.26 -5.06 105.19 107.09 2i2r n GLY 18 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.61 1.61 4.27 -1.02 -5.29 117.44 116.39 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 -1.75 0.00 -2.67 2.81 -1.26 -5.05 117.12 109.20 2i2r n MET 20 Ca 0.00 1.31 0.00 0.00 -1.81 0.00 0.00 57.70 57.20 2i2r n MET 20 Cb 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 2i2r n MET 20 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2i2r n ALA 23 N -0.97 0.00 0.00 3.04 0.00 -1.26 -5.12 120.51 116.20 2i2r n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2r n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2i2r n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2r n ASN 24 N 0.00 0.00 -0.01 0.00 3.02 -1.26 -5.06 115.26 111.95 2i2r n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2i2r n ASN 24 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2i2r n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i2r n PRO 26 N 0.00 4.48 0.00 0.00 -0.06 -1.26 -5.19 135.00 132.97 2i2r n PRO 26 Ca 0.00 -3.75 0.00 0.00 -0.06 0.00 0.00 63.50 59.69 2i2r n PRO 26 Cb 0.50 -2.49 0.00 0.00 -0.06 0.00 0.00 33.50 31.46 2i2r n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 175.50 174.11 2i2r n MET 27 N 0.82 3.50 -0.48 0.54 2.81 -1.26 -4.80 117.12 118.25 2i2r n MET 27 Ca 0.55 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 56.25 2i2r n MET 27 Cb 0.29 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 32.96 2i2r n MET 27 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2i2r n ASN 35 N 0.00 -3.15 0.00 7.83 2.85 -1.26 -5.16 115.26 116.37 2i2r n ASN 35 Ca 0.00 -0.45 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 2i2r n ASN 35 Cb 0.00 -0.79 0.00 0.00 1.24 0.00 0.00 39.78 40.23 2i2r n ASN 35 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i2r n LYS 36 N -2.27 0.00 -2.67 1.20 5.02 -1.26 -5.15 118.16 113.03 2i2r n LYS 36 Ca 0.07 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.29 2i2r n LYS 36 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.36 2i2r n LYS 36 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2i2r n ARG 37 N 0.00 0.95 -0.06 1.97 3.00 -1.26 -5.18 116.66 116.08 2i2r n ARG 37 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 57.85 56.89 2i2r n ARG 37 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 32.46 32.94 2i2r n ARG 37 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2i2r n GLN 38 N -0.26 0.42 -3.72 5.56 7.27 -1.26 -5.13 117.38 120.26 2i2r n GLN 38 Ca -0.02 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.93 2i2r n GLN 38 Cb 0.17 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.70 2i2r n GLN 38 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2i2r s ASP 39 N -1.00 -0.41 0.20 1.69 2.15 -1.26 -5.04 116.67 113.00 2i2r s ASP 39 Ca 0.00 0.75 0.11 0.00 0.43 0.00 0.00 52.55 53.84 2i2r s ASP 39 Cb 0.00 0.65 -0.04 0.00 -0.30 0.00 0.00 42.92 43.22 2i2r s ASP 39 CO 0.00 -0.17 -0.23 -1.61 -0.17 0.00 0.00 175.17 172.99 2i2r s GLU 40 N 1.15 1.51 0.08 4.34 2.02 -1.26 -5.01 118.70 121.53 2i2r s GLU 40 Ca -0.08 -1.55 -0.25 0.00 0.02 0.00 0.00 54.97 53.11 2i2r s GLU 40 Cb -0.08 -1.77 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 2i2r s GLU 40 CO -0.09 0.37 0.78 -0.51 0.02 0.00 0.00 175.26 175.83 2i2r s LEU 41 N -2.78 4.50 0.20 1.80 1.02 -1.26 -0.85 118.68 121.30 2i2r s LEU 41 Ca 0.21 1.52 0.05 0.00 0.02 0.00 0.00 54.13 55.94 2i2r s LEU 41 Cb -0.07 -3.26 -0.04 0.00 0.02 0.00 0.00 46.19 42.84 2i2r s LEU 41 CO 0.10 0.07 0.19 0.27 0.02 0.00 0.00 176.35 177.00 2i2r s ILE 42 N -0.39 4.62 -0.23 -0.59 -4.36 0.20 -4.89 121.20 115.56 2i2r s ILE 42 Ca 0.38 -1.15 -0.01 0.00 -0.26 0.00 0.00 60.65 59.61 2i2r s ILE 42 Cb -0.21 -3.42 0.02 0.00 1.25 0.00 0.00 42.46 40.10 2i2r s ILE 42 CO 0.24 -0.21 -0.09 -0.69 0.24 0.00 0.00 174.94 174.44 2i2r s VAL 43 N -1.90 2.79 -0.45 8.37 1.01 -1.26 -1.81 120.40 127.15 2i2r s VAL 43 Ca 0.32 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2i2r s VAL 43 Cb -0.09 -2.35 0.11 0.00 0.00 0.00 0.00 36.38 34.05 2i2r s VAL 43 CO 0.25 0.31 0.30 -0.76 0.00 0.00 0.00 175.10 175.20 2i2r s LEU 44 N 1.34 5.47 -0.29 3.92 1.43 0.27 -2.76 118.68 128.07 2i2r s LEU 44 Ca 0.02 -1.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.00 2i2r s LEU 44 Cb -0.15 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2i2r s LEU 44 CO -0.06 -0.63 1.29 0.21 0.23 0.00 0.00 176.35 177.40 2i2r s ASN 45 N 2.39 6.70 -0.44 2.29 3.84 0.14 0.03 114.94 129.89 2i2r s ASN 45 Ca 0.05 1.25 0.03 0.00 0.21 0.00 0.00 52.86 54.40 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 -0.01 -1.05 0.20 -0.69 -2.79 0.00 0.00 177.10 172.76 2i2r s VAL 46 N 4.28 2.07 0.00 -5.21 1.01 0.16 -0.91 120.40 121.80 2i2r s VAL 46 Ca 0.56 -2.75 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2i2r s VAL 46 Cb -0.17 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2i2r s VAL 46 CO 0.22 -0.77 0.00 -1.54 0.00 0.00 0.00 175.10 173.01 2i2r n SER 47 N 3.62 -4.67 0.00 3.32 3.41 -0.71 -2.65 113.62 115.94 2i2r n SER 47 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2i2r n SER 47 Cb 0.36 -2.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.01 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 -0.62 2.91 3.63 5.00 0.00 -1.26 -5.05 105.19 109.80 2i2r n GLY 48 Ca 0.00 -0.54 -0.49 0.00 0.00 0.00 0.00 46.02 44.99 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 1.92 -2.95 1.61 5.12 -1.09 -4.89 116.66 116.39 2i2r n ARG 49 Ca 0.00 0.66 -0.44 0.00 -1.93 0.00 0.00 57.85 56.15 2i2r n ARG 49 Cb 0.00 -2.66 -0.03 0.00 -1.16 0.00 0.00 32.46 28.60 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 4.72 3.32 0.42 5.56 0.52 -1.26 0.37 118.95 132.60 2i2r s ARG 50 Ca 0.97 -1.37 -0.23 0.00 -0.52 0.00 0.00 55.73 54.58 2i2r s ARG 50 Cb -0.70 -4.54 -0.09 0.00 0.52 0.00 0.00 34.95 30.15 2i2r s ARG 50 CO 0.50 -1.73 1.06 -0.06 0.02 0.00 0.00 175.30 175.08 2i2r s PHE 51 N 3.11 3.17 -0.03 -0.53 0.08 0.10 -4.87 117.98 119.02 2i2r s PHE 51 Ca 0.25 1.62 0.02 0.00 0.12 0.00 0.00 56.93 58.94 2i2r s PHE 51 Cb -0.13 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2i2r s PHE 51 CO 0.00 -0.74 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.65 2i2r s GLN 52 N -2.67 0.91 0.10 0.44 -0.21 -1.26 0.97 119.66 117.93 2i2r s GLN 52 Ca 0.60 -0.28 -0.16 0.00 0.02 0.00 0.00 55.36 55.55 2i2r s GLN 52 Cb -0.21 -0.86 0.03 0.00 1.00 0.00 0.00 33.01 32.97 2i2r s GLN 52 CO 0.26 0.09 0.38 -0.08 -2.12 0.00 0.00 175.29 173.82 2i2r s THR 53 N 0.24 0.07 0.28 -0.19 -1.32 -0.75 -4.99 115.64 108.99 2i2r s THR 53 Ca -0.04 -0.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.54 2i2r s THR 53 Cb -0.09 -1.12 -0.10 0.00 -1.51 0.00 0.00 72.50 69.69 2i2r s THR 53 CO 0.00 -0.34 1.21 0.26 -2.21 0.00 0.00 174.62 173.55 2i2r s TRP 54 N -3.40 3.33 0.16 9.09 0.52 -1.26 0.58 118.94 127.95 2i2r s TRP 54 Ca 0.01 1.52 -0.17 0.00 0.02 0.00 0.00 56.10 57.48 2i2r s TRP 54 Cb 0.01 -3.48 0.09 0.00 -1.15 0.00 0.00 33.47 28.94 2i2r s TRP 54 CO -0.09 -1.25 1.69 -0.09 0.02 0.00 0.00 176.95 177.23 2i2r h ARG 55 N 3.93 0.06 -0.91 4.98 2.43 -1.33 0.87 114.38 124.40 2i2r h ARG 55 Ca -0.47 -0.00 0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2i2r h ARG 55 Cb 1.22 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 30.63 2i2r h ARG 55 CO 0.68 0.04 0.43 1.79 -1.51 0.00 0.00 179.97 181.39 2i2r h THR 56 N 0.06 0.51 -1.00 0.20 1.35 -1.92 -0.38 112.91 111.73 2i2r h THR 56 Ca 0.19 -0.15 0.18 0.00 -0.55 0.00 0.00 66.41 66.07 2i2r h THR 56 Cb 0.27 0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 66.62 2i2r h THR 56 CO -0.35 0.08 0.62 0.74 -0.25 0.00 0.00 175.52 176.36 2i2r h THR 57 N 0.45 0.74 0.00 6.82 2.02 -1.18 -0.85 112.91 120.91 2i2r h THR 57 Ca 0.56 -0.27 -0.23 0.00 0.77 0.00 0.00 66.41 67.25 2i2r h THR 57 Cb 1.04 -0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2i2r h THR 57 CO -0.50 0.14 -0.88 -0.07 0.37 0.00 0.00 175.52 174.58 2i2r h LEU 58 N 0.78 0.77 -1.70 2.58 3.38 -1.05 -3.20 115.31 116.86 2i2r h LEU 58 Ca 0.56 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2i2r h LEU 58 Cb 0.85 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2i2r h LEU 58 CO -0.35 1.42 0.10 -0.33 0.09 0.00 0.00 178.44 179.37 2i2r h GLU 59 N 0.20 0.00 -0.73 1.13 5.08 -0.50 -3.00 114.58 116.75 2i2r h GLU 59 Ca -0.11 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 2i2r h GLU 59 Cb 1.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.76 2i2r h GLU 59 CO 0.17 0.00 0.48 -0.09 -1.00 0.00 0.00 179.01 178.57 2i2r h ARG 60 N 0.00 0.66 -2.98 2.33 2.43 -1.43 -3.12 114.38 112.27 2i2r h ARG 60 Ca 0.00 -0.04 -0.62 0.00 -0.81 0.00 0.00 59.98 58.51 2i2r h ARG 60 Cb 0.20 -0.15 -0.41 0.00 -0.42 0.00 0.00 29.97 29.19 2i2r h ARG 60 CO 0.00 0.44 -0.67 0.71 -1.51 0.00 0.00 179.97 178.93 2i2r s TYR 61 N -5.62 2.89 1.02 2.20 1.51 -1.13 -5.09 117.35 113.12 2i2r s TYR 61 Ca -0.09 -3.03 -0.13 0.00 -1.01 0.00 0.00 57.07 52.81 2i2r s TYR 61 Cb 0.20 -2.30 0.20 0.00 -0.11 0.00 0.00 41.96 39.94 2i2r s TYR 61 CO 0.77 -0.65 1.10 -1.25 -1.11 0.00 0.00 175.55 174.41 2i2r s PRO 62 N -0.82 0.27 -0.71 -1.71 0.04 -1.18 -3.34 135.00 127.55 2i2r s PRO 62 Ca 0.24 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2i2r s PRO 62 Cb -0.08 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2i2r s PRO 62 CO -0.13 -2.81 0.00 -0.40 0.04 0.00 0.00 177.00 173.70 2i2r n ASP 63 N -4.21 -4.39 -4.21 6.66 3.85 -1.26 -4.83 116.55 108.15 2i2r n ASP 63 Ca 0.06 0.16 -0.28 0.00 -0.71 0.00 0.00 54.79 54.03 2i2r n ASP 63 Cb 0.58 -2.48 -0.16 0.00 -1.35 0.00 0.00 41.12 37.71 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 -2.05 1.66 0.00 2.12 -4.23 -1.21 -4.94 115.64 107.00 2i2r s THR 64 Ca 0.00 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2i2r s THR 64 Cb 0.00 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.44 2i2r s THR 64 CO 0.00 0.47 0.00 -0.11 -0.54 0.00 0.00 174.62 174.44 2i2r n LEU 65 N 2.76 0.00 -0.03 4.79 0.00 -0.90 0.97 117.00 124.59 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 -0.07 0.00 0.00 0.00 0.00 43.42 43.87 2i2r n LEU 65 CO 0.24 0.00 0.31 -0.07 0.00 0.00 0.00 177.39 177.87 2i2r h LEU 66 N 0.00 0.85 -2.49 -1.96 4.07 -1.92 -2.83 115.31 111.03 2i2r h LEU 66 Ca 0.00 -0.62 -0.00 0.00 0.08 0.00 0.00 57.88 57.33 2i2r h LEU 66 Cb 0.00 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.49 2i2r h LEU 66 CO 0.00 1.33 -0.02 1.23 -1.08 0.00 0.00 178.44 179.90 2i2r h GLY 67 N 0.42 0.00 0.00 0.83 0.00 0.49 -3.45 103.07 101.36 2i2r h GLY 67 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 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 -3.39 0.11 0.11 0.19 3.41 0.37 -4.25 113.62 110.17 2i2r n SER 68 Ca -0.02 -0.16 0.05 0.00 -0.26 0.00 0.00 58.87 58.48 2i2r n SER 68 Cb 0.13 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.01 0.48 -0.77 6.66 1.03 -1.86 -3.39 112.91 115.06 2i2r h THR 69 Ca 0.00 -1.77 0.18 0.00 -0.01 0.00 0.00 66.41 64.81 2i2r h THR 69 Cb 0.00 2.08 -0.13 0.00 -1.07 0.00 0.00 68.15 69.03 2i2r h THR 69 CO 0.00 0.27 0.08 -0.08 -0.01 0.00 0.00 175.52 175.79 2i2r h GLU 70 N 0.00 0.15 0.00 0.00 4.81 -1.92 0.02 114.58 117.63 2i2r h GLU 70 Ca -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2i2r h GLU 70 Cb 1.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2i2r h GLU 70 CO 0.04 0.10 0.38 1.57 -0.73 0.00 0.00 179.01 180.37 2i2r h LYS 71 N 0.16 0.00 -0.06 1.92 2.10 -1.70 -0.60 116.57 118.39 2i2r h LYS 71 Ca 0.44 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 59.10 2i2r h LYS 71 Cb 0.79 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2i2r h LYS 71 CO -0.63 0.00 0.06 1.49 -2.00 0.00 0.00 179.45 178.37 2i2r h GLU 72 N 0.00 0.00 0.00 0.07 4.57 -1.30 0.17 114.58 118.09 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 0.76 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 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 -4.00 0.00 -0.07 0.92 3.72 -0.23 -2.79 117.46 115.01 2i2r n PHE 73 Ca -0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 2i2r n PHE 73 Cb 0.15 -0.42 0.06 0.00 -0.94 0.00 0.00 39.48 38.33 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 -1.42 0.18 -2.99 1.38 3.01 0.59 -5.00 117.46 113.21 2i2r n PHE 74 Ca 0.05 -0.50 -0.40 0.00 1.01 0.00 0.00 57.45 57.61 2i2r n PHE 74 Cb 0.16 -0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.00 3.82 -0.28 1.38 2.19 -1.12 -1.55 117.98 121.41 2i2r s PHE 75 Ca 0.09 1.54 -0.09 0.00 0.33 0.00 0.00 56.93 58.81 2i2r s PHE 75 Cb 0.05 -2.79 -0.02 0.00 -1.31 0.00 0.00 43.02 38.94 2i2r s PHE 75 CO 0.06 0.39 0.13 1.21 1.83 0.00 0.00 175.22 178.84 2i2r s ASN 76 N -0.57 5.47 0.16 6.13 3.84 0.40 -4.96 114.94 125.41 2i2r s ASN 76 Ca 0.37 -0.31 -0.18 0.00 0.21 0.00 0.00 52.86 52.95 2i2r s ASN 76 Cb -0.22 -1.99 0.08 0.00 -0.55 0.00 0.00 41.25 38.57 2i2r s ASN 76 CO 0.24 -0.11 1.66 -0.08 -2.79 0.00 0.00 177.10 176.03 2i2r h GLU 77 N 8.31 -0.06 0.00 0.43 4.57 -1.96 -0.12 114.58 125.75 2i2r h GLU 77 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2i2r h GLU 77 Cb 1.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2i2r h GLU 77 CO 0.59 -0.04 0.00 -0.25 -1.18 0.00 0.00 179.01 178.13 2i2r n ASP 78 N -5.33 0.00 0.13 1.04 8.00 -1.26 -3.53 116.55 115.60 2i2r n ASP 78 Ca 0.02 0.58 0.05 0.00 0.71 0.00 0.00 54.79 56.15 2i2r n ASP 78 Cb 0.24 -0.27 0.28 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.31 0.72 -3.54 -3.53 -2.24 -1.25 -4.76 114.28 98.36 2i2r n THR 79 Ca 0.00 0.69 -0.26 0.00 -2.27 0.00 0.00 64.05 62.21 2i2r n THR 79 Cb 0.00 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 66.57 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 -1.89 -5.47 -3.75 -0.78 3.00 -0.07 -4.97 118.16 104.23 2i2r n LYS 80 Ca -0.01 0.69 -0.11 0.00 -0.00 0.00 0.00 58.31 58.89 2i2r n LYS 80 Cb 0.30 -5.58 -0.07 0.00 0.00 0.00 0.00 35.03 29.68 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 -6.24 0.86 0.03 1.64 -1.05 -1.12 -4.92 118.70 107.92 2i2r s GLU 81 Ca 0.52 -0.61 -0.30 0.00 -0.15 0.00 0.00 54.97 54.43 2i2r s GLU 81 Cb -0.25 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 2i2r s GLU 81 CO 0.64 -0.29 1.16 0.71 0.95 0.00 0.00 175.26 178.43 2i2r s TYR 82 N -2.97 3.44 -0.08 4.83 1.51 -1.11 -0.45 117.35 122.52 2i2r s TYR 82 Ca -0.02 1.36 0.03 0.00 -1.01 0.00 0.00 57.07 57.43 2i2r s TYR 82 Cb 0.01 -3.37 0.01 0.00 -0.11 0.00 0.00 41.96 38.49 2i2r s TYR 82 CO -0.06 -1.06 -0.18 0.12 -1.11 0.00 0.00 175.55 173.26 2i2r s PHE 83 N 1.21 2.02 -0.12 2.71 5.36 -0.60 0.25 117.98 128.82 2i2r s PHE 83 Ca 0.57 -0.79 0.02 0.00 -0.96 0.00 0.00 56.93 55.78 2i2r s PHE 83 Cb -0.27 -1.39 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 2i2r s PHE 83 CO 0.28 -0.34 -0.19 -0.06 -1.46 0.00 0.00 175.22 173.45 2i2r s PHE 84 N 0.46 2.33 -0.25 10.12 0.08 -0.09 -4.85 117.98 125.79 2i2r s PHE 84 Ca -0.16 -1.10 -0.01 0.00 0.12 0.00 0.00 56.93 55.78 2i2r s PHE 84 Cb -0.17 -1.61 0.15 0.00 -0.57 0.00 0.00 43.02 40.82 2i2r s PHE 84 CO 0.06 -0.51 2.07 -3.47 -0.10 0.00 0.00 175.22 173.27 2i2r n ASP 85 N 4.01 6.21 -5.03 1.36 2.03 -1.26 -1.73 116.55 122.14 2i2r n ASP 85 Ca -0.20 -2.92 -0.20 0.00 0.52 0.00 0.00 54.79 52.00 2i2r n ASP 85 Cb 0.52 -1.09 0.07 0.00 -0.72 0.00 0.00 41.12 39.90 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 -1.37 2.26 0.16 -0.67 1.81 -1.26 -4.94 118.95 114.94 2i2r s ARG 86 Ca 0.26 -1.65 -0.31 0.00 -1.72 0.00 0.00 55.73 52.31 2i2r s ARG 86 Cb 0.20 -2.63 -0.09 0.00 -0.45 0.00 0.00 34.95 31.98 2i2r s ARG 86 CO -0.01 -0.91 1.38 0.34 -0.68 0.00 0.00 175.30 175.42 2i2r s ASP 87 N -4.69 6.82 0.12 0.23 2.15 -1.26 -4.20 116.67 115.84 2i2r s ASP 87 Ca 0.62 2.40 0.02 0.00 0.43 0.00 0.00 52.55 56.02 2i2r s ASP 87 Cb -0.05 -2.60 -0.17 0.00 -0.30 0.00 0.00 42.92 39.79 2i2r s ASP 87 CO 0.39 -0.62 1.26 1.55 -0.17 0.00 0.00 175.17 177.58 2i2r h PRO 88 N 6.12 0.15 0.73 4.34 0.13 -1.95 -3.27 132.00 138.25 2i2r h PRO 88 Ca -0.43 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 64.44 2i2r h PRO 88 Cb 1.21 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2i2r h PRO 88 CO 0.83 1.06 -0.45 1.49 -0.23 0.00 0.00 178.00 180.69 2i2r h GLU 89 N 0.06 -1.07 -0.65 0.86 4.57 -1.93 -2.97 114.58 113.46 2i2r h GLU 89 Ca -0.06 0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2i2r h GLU 89 Cb 1.76 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 30.56 2i2r h GLU 89 CO 0.16 -0.71 0.43 0.28 -1.18 0.00 0.00 179.01 177.98 2i2r h VAL 90 N -1.11 1.12 -1.17 0.32 2.07 -1.99 0.90 116.25 116.39 2i2r h VAL 90 Ca -0.09 -0.28 0.34 0.00 0.82 0.00 0.00 66.70 67.49 2i2r h VAL 90 Cb 0.90 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2i2r h VAL 90 CO 0.09 0.15 0.85 0.15 0.02 0.00 0.00 177.57 178.83 2i2r h PHE 91 N 0.81 0.00 -0.68 1.57 3.57 -1.57 0.41 116.94 121.05 2i2r h PHE 91 Ca 0.25 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.86 2i2r h PHE 91 Cb -0.00 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.66 2i2r h PHE 91 CO -0.00 0.00 0.27 0.00 -2.23 0.00 0.00 178.31 176.35 2i2r h ARG 92 N 0.00 0.43 -0.10 1.11 3.08 -0.77 0.88 114.38 119.02 2i2r h ARG 92 Ca 0.56 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.50 2i2r h ARG 92 Cb 2.26 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 32.21 2i2r h ARG 92 CO -0.01 0.28 -0.27 0.00 -1.07 0.00 0.00 179.97 178.91 2i2r h VAL 94 N -0.10 0.78 -0.19 0.00 2.07 -1.31 0.27 116.25 117.77 2i2r h VAL 94 Ca -0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2i2r h VAL 94 Cb 0.88 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2i2r h VAL 94 CO 0.06 0.04 0.06 0.25 0.02 0.00 0.00 177.57 177.99 2i2r h LEU 95 N 0.22 0.27 -2.54 2.57 5.85 -0.72 -2.58 115.31 118.38 2i2r h LEU 95 Ca 0.20 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2i2r h LEU 95 Cb 0.25 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2i2r h LEU 95 CO -0.26 0.41 0.06 0.78 -0.34 0.00 0.00 178.44 179.08 2i2r h ASN 96 N 0.12 0.00 -0.06 1.25 2.35 -0.12 0.60 115.58 119.71 2i2r h ASN 96 Ca 0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 2i2r h ASN 96 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2i2r h ASN 96 CO -0.00 0.00 -0.37 0.15 -1.65 0.00 0.00 177.43 175.55 2i2r h PHE 97 N 0.00 0.67 0.00 1.19 3.04 -0.09 -2.52 116.94 119.23 2i2r h PHE 97 Ca 0.02 -0.19 -0.04 0.00 3.98 0.00 0.00 57.97 61.74 2i2r h PHE 97 Cb 0.13 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 2i2r h PHE 97 CO 0.00 0.87 -0.20 1.88 -2.02 0.00 0.00 178.31 178.83 2i2r h TYR 98 N 0.48 0.00 0.00 0.41 -1.99 -0.79 -3.37 116.97 111.70 2i2r h TYR 98 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2i2r h TYR 98 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 2i2r h TYR 98 CO 0.03 0.20 0.00 0.54 -0.00 0.00 0.00 178.16 178.94 2i2r n ARG 99 N -3.54 0.00 -2.25 4.88 1.74 -0.98 -4.78 116.66 111.74 2i2r n ARG 99 Ca -0.01 0.19 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 2i2r n ARG 99 Cb 0.35 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.41 4.01 0.59 0.55 -4.23 -1.06 -4.96 115.64 110.13 2i2r s THR 100 Ca 0.00 1.02 0.29 0.00 -1.18 0.00 0.00 61.69 61.81 2i2r s THR 100 Cb 0.00 -3.49 0.37 0.00 1.34 0.00 0.00 72.50 70.72 2i2r s THR 100 CO 0.00 -0.50 2.03 1.23 -0.54 0.00 0.00 174.62 176.83 2i2r h GLY 101 N 0.80 0.00 -4.57 3.99 0.00 -1.85 -3.38 103.07 98.06 2i2r h GLY 101 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.31 2i2r h GLY 101 CO 0.59 0.00 0.16 0.54 0.00 0.00 0.00 176.54 177.83 2i2r s LYS 102 N -4.63 4.50 -0.27 4.80 1.02 -1.26 -4.89 119.74 119.01 2i2r s LYS 102 Ca -0.04 1.07 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 2i2r s LYS 102 Cb 0.15 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 2i2r s LYS 102 CO 0.55 0.26 0.29 -1.17 -0.92 0.00 0.00 175.35 174.36 2i2r s LEU 103 N 0.01 4.04 0.01 3.17 2.96 -1.26 -4.03 118.68 123.58 2i2r s LEU 103 Ca 0.39 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 2i2r s LEU 103 Cb -0.20 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 2i2r s LEU 103 CO 0.23 -0.11 0.08 -1.00 -1.32 0.00 0.00 176.35 174.23 2i2r s HIS 104 N 1.83 3.26 -0.41 5.38 3.76 -1.26 -3.18 115.29 124.67 2i2r s HIS 104 Ca 0.12 0.18 -0.19 0.00 -0.15 0.00 0.00 55.06 55.02 2i2r s HIS 104 Cb -0.16 -1.72 0.02 0.00 1.11 0.00 0.00 32.58 31.83 2i2r s HIS 104 CO 0.10 0.54 0.54 -0.47 -0.85 0.00 0.00 174.74 174.60 2i2r s TYR 105 N -1.22 3.13 -0.48 1.40 5.04 -1.26 -4.96 117.35 118.99 2i2r s TYR 105 Ca 0.24 -0.14 -0.27 0.00 -2.44 0.00 0.00 57.07 54.46 2i2r s TYR 105 Cb -0.12 -3.09 -0.08 0.00 0.35 0.00 0.00 41.96 39.02 2i2r s TYR 105 CO 0.15 -0.74 2.40 -0.35 -1.34 0.00 0.00 175.55 175.67 2i2r n PRO 106 N 5.90 1.12 0.00 4.97 -0.04 -1.26 -4.83 135.00 140.86 2i2r n PRO 106 Ca -0.04 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2i2r n PRO 106 Cb 0.48 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 8.89 0.16 0.00 0.54 1.74 -1.26 -1.94 116.66 124.79 2i2r n ARG 107 Ca 0.38 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2i2r n ARG 107 Cb 0.48 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 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 -1.36 -1.55 0.18 -1.26 -5.10 117.16 108.87 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 0.07 0.11 0.10 0.00 -0.38 0.00 0.00 39.34 39.24 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 -1.81 2.03 0.20 -3.48 0.41 -0.82 -4.97 118.70 110.26 2i2r s GLU 109 Ca 0.00 1.77 -0.30 0.00 -0.41 0.00 0.00 54.97 56.03 2i2r s GLU 109 Cb 0.00 -1.82 -0.08 0.00 -1.78 0.00 0.00 34.13 30.45 2i2r s GLU 109 CO 0.00 -1.92 1.07 0.00 -0.49 0.00 0.00 175.26 173.92 2i2r h ILE 111 N 3.57 0.00 -0.74 0.00 1.08 -1.93 -1.91 117.51 117.59 2i2r h ILE 111 Ca -0.45 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.18 2i2r h ILE 111 Cb 1.21 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 2i2r h ILE 111 CO 0.71 0.00 0.20 -1.28 -0.69 0.00 0.00 178.15 177.09 2i2r h SER 112 N -0.20 0.06 -0.94 1.72 0.87 -1.94 0.01 113.55 113.14 2i2r h SER 112 Ca 0.03 0.14 0.21 0.00 -1.23 0.00 0.00 61.79 60.94 2i2r h SER 112 Cb 0.29 0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 2i2r h SER 112 CO -0.29 -0.01 0.61 0.00 -0.53 0.00 0.00 176.83 176.61 2i2r h ALA 113 N 1.60 2.13 0.00 6.23 0.00 -1.75 -2.40 119.26 125.07 2i2r h ALA 113 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2i2r h ALA 113 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2i2r h ALA 113 CO -0.49 -0.44 -1.27 0.98 0.00 0.00 0.00 179.25 178.03 2i2r n TYR 114 N -4.56 0.00 -0.04 0.00 9.36 -0.14 -3.75 117.16 118.04 2i2r n TYR 114 Ca 0.21 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.29 2i2r n TYR 114 Cb 0.70 -0.20 -0.09 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.23 -0.78 2.98 3.32 -1.00 -2.29 116.42 118.87 2i2r h ASP 115 Ca 0.00 -0.52 0.16 0.00 0.02 0.00 0.00 57.03 56.69 2i2r h ASP 115 Cb 0.53 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 39.87 2i2r h ASP 115 CO 0.00 0.70 -0.18 0.44 -1.72 0.00 0.00 179.24 178.48 2i2r h ASP 116 N -0.24 -0.70 -0.35 6.45 3.45 -1.59 0.66 116.42 124.10 2i2r h ASP 116 Ca 0.01 0.23 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 2i2r h ASP 116 Cb 0.65 0.48 -0.01 0.00 -0.56 0.00 0.00 39.33 39.89 2i2r h ASP 116 CO 0.02 -0.26 -0.18 -0.33 -1.57 0.00 0.00 179.24 176.93 2i2r h GLU 117 N 0.01 0.74 -0.64 3.56 4.39 -1.64 -2.57 114.58 118.42 2i2r h GLU 117 Ca 0.38 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2i2r h GLU 117 Cb 0.59 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2i2r h GLU 117 CO -0.80 0.94 0.40 -0.07 -1.16 0.00 0.00 179.01 178.32 2i2r h LEU 118 N 0.52 0.75 -0.73 1.33 3.38 -0.41 -1.90 115.31 118.25 2i2r h LEU 118 Ca 0.08 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2i2r h LEU 118 Cb 0.73 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2i2r h LEU 118 CO 0.05 0.57 0.14 0.00 0.09 0.00 0.00 178.44 179.28 2i2r h ALA 119 N 1.57 0.95 0.17 1.53 0.00 -0.79 -1.74 119.26 120.95 2i2r h ALA 119 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2i2r h ALA 119 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2i2r h ALA 119 CO -0.05 0.66 -0.08 0.35 0.00 0.00 0.00 179.25 180.14 2i2r h PHE 120 N 1.04 -0.21 -0.00 0.00 3.57 -0.96 -3.16 116.94 117.22 2i2r h PHE 120 Ca 0.21 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 2i2r h PHE 120 Cb 0.41 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2i2r h PHE 120 CO 0.03 -0.08 0.00 0.66 -2.23 0.00 0.00 178.31 176.69 2i2r n TYR 121 N -5.16 0.00 -0.83 0.41 4.01 -0.80 -4.83 117.16 109.97 2i2r n TYR 121 Ca -0.09 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2i2r n TYR 121 Cb 0.14 0.00 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 0.99 0.49 3.71 2.72 0.00 -0.96 -2.12 105.19 110.02 2i2r n GLY 122 Ca 0.23 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 5.13 0.06 -0.61 1.09 -0.69 -4.74 121.20 119.44 2i2r s ILE 123 Ca 0.00 0.09 -0.30 0.00 -1.10 0.00 0.00 60.65 59.33 2i2r s ILE 123 Cb 0.00 -3.31 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2i2r s ILE 123 CO 0.00 0.48 1.03 -0.76 -0.10 0.00 0.00 174.94 175.59 2i2r s LEU 124 N 0.11 4.41 0.05 2.97 2.01 -1.26 -4.26 118.68 122.71 2i2r s LEU 124 Ca 0.07 1.81 -0.10 0.00 0.01 0.00 0.00 54.13 55.92 2i2r s LEU 124 Cb -0.12 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.48 2i2r s LEU 124 CO -0.00 -0.25 0.52 -2.65 1.01 0.00 0.00 176.35 174.98 2i2r n PRO 125 N 3.47 -0.15 -2.81 1.29 -0.01 -1.26 -2.20 135.00 133.33 2i2r n PRO 125 Ca 0.05 0.51 -0.30 0.00 -0.01 0.00 0.00 63.50 63.75 2i2r n PRO 125 Cb 0.49 -0.76 -0.02 0.00 -0.01 0.00 0.00 33.50 33.20 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 -4.34 3.73 -0.17 -0.52 0.28 -1.26 -4.23 120.64 114.13 2i2r n GLU 126 Ca 0.01 -4.76 0.06 0.00 -0.16 0.00 0.00 57.16 52.30 2i2r n GLU 126 Cb 0.09 -2.29 0.15 0.00 1.43 0.00 0.00 31.44 30.82 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 -0.24 0.46 -1.94 3.84 5.41 -0.94 -4.96 119.36 121.00 2i2r n ILE 127 Ca 0.36 -0.46 -0.42 0.00 1.00 0.00 0.00 62.75 63.23 2i2r n ILE 127 Cb 0.38 0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 39.51 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 -1.54 2.56 1.16 1.39 1.01 -1.26 -4.35 121.20 120.18 2i2r s ILE 128 Ca 0.23 0.43 -0.13 0.00 0.00 0.00 0.00 60.65 61.18 2i2r s ILE 128 Cb 0.12 -3.27 0.28 0.00 0.01 0.00 0.00 42.46 39.60 2i2r s ILE 128 CO 0.16 0.05 1.03 -0.83 0.00 0.00 0.00 174.94 175.34 2i2r s GLY 129 N 0.86 1.54 0.46 6.18 0.00 -1.19 -4.59 107.32 110.58 2i2r s GLY 129 Ca 0.66 -0.22 0.16 0.00 0.00 0.00 0.00 44.72 45.33 2i2r s GLY 129 CO 0.36 0.51 2.02 -0.55 0.00 0.00 0.00 173.10 175.44 2i2r h ASP 130 N -2.60 0.00 -0.76 1.64 5.19 -1.94 -1.65 116.42 116.31 2i2r h ASP 130 Ca -0.62 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.80 2i2r h ASP 130 Cb 1.34 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.81 2i2r h ASP 130 CO 0.52 0.16 0.49 0.00 -3.12 0.00 0.00 179.24 177.29 2i2r n TYR 133 N -2.16 0.14 0.07 0.00 -0.00 -0.65 0.31 117.16 114.88 2i2r n TYR 133 Ca -0.09 0.07 -0.12 0.00 -0.00 0.00 0.00 57.90 57.76 2i2r n TYR 133 Cb 0.63 -0.61 -0.08 0.00 -0.00 0.00 0.00 39.34 39.28 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 -0.23 0.00 -3.48 4.39 -1.77 -3.01 114.58 110.48 2i2r h GLU 134 Ca 0.00 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2i2r h GLU 134 Cb 0.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2i2r h GLU 134 CO 0.00 0.18 -0.30 0.93 -1.16 0.00 0.00 179.01 178.66 2i2r h GLU 135 N -0.74 0.00 -0.06 2.33 4.39 -1.00 -2.81 114.58 116.69 2i2r h GLU 135 Ca -0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 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 0.04 0.30 -0.43 -0.92 -1.16 0.00 0.00 179.01 176.84 2i2r h TYR 136 N 0.00 0.14 0.18 4.33 5.03 -0.26 -3.19 116.97 123.21 2i2r h TYR 136 Ca -0.00 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 2i2r h TYR 136 Cb 1.17 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.42 2i2r h TYR 136 CO 0.00 0.53 -0.09 0.87 -1.32 0.00 0.00 178.16 178.15 2i2r h LYS 137 N 0.10 -0.24 0.00 1.82 1.79 -1.40 -3.24 116.57 115.41 2i2r h LYS 137 Ca 0.01 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2i2r h LYS 137 Cb 0.80 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2i2r h LYS 137 CO 0.06 -0.16 0.02 -0.25 -1.08 0.00 0.00 179.45 178.04 2i2r n ASP 138 N -2.97 0.00 -2.33 0.86 9.92 -1.07 -1.30 116.55 119.66 2i2r n ASP 138 Ca -0.03 0.23 -0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2i2r n ASP 138 Cb 0.10 -0.23 0.04 0.00 -0.64 0.00 0.00 41.12 40.39 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 1.35 0.00 -1.24 1.85 -1.21 -5.10 116.66 111.10 2i2r n ARG 139 Ca 0.00 -3.11 0.00 0.00 -1.00 0.00 0.00 57.85 53.74 2i2r n ARG 139 Cb 0.02 -1.19 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 2i2r n ARG 139 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25