#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 2.97 0.19 0.00 0.00 -1.26 -4.18 105.19 102.91 2i2r n GLY 4 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 3.63 0.71 -0.89 1.61 3.04 -2.07 -3.16 116.25 119.12 2i2r h VAL 5 Ca 0.00 -1.57 0.20 0.00 -1.01 0.00 0.00 66.70 64.32 2i2r h VAL 5 Cb 1.49 2.03 -0.06 0.00 -2.01 0.00 0.00 31.29 32.74 2i2r h VAL 5 CO 0.26 0.34 0.59 0.00 -1.01 0.00 0.00 177.57 177.74 2i2r h ALA 6 N 1.66 2.23 0.00 3.17 0.00 -2.04 -0.06 119.26 124.22 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 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2i2r h ALA 6 CO 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.78 2i2r n ALA 7 N -2.53 2.26 -0.01 0.00 0.00 -1.19 -2.81 120.51 116.22 2i2r n ALA 7 Ca 0.19 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.60 2i2r n ALA 7 Cb 0.70 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.15 0.00 -0.29 0.00 7.02 -0.04 -4.57 117.44 118.41 2i2r n TRP 8 Ca 0.14 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.64 2i2r n TRP 8 Cb 0.13 -0.49 0.16 0.00 -2.42 0.00 0.00 31.31 28.69 2i2r n TRP 8 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2i2r h LEU 9 N 0.00 0.71 -2.58 -0.99 6.46 -1.53 -2.68 115.31 114.69 2i2r h LEU 9 Ca -0.02 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2i2r h LEU 9 Cb 1.00 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 2i2r h LEU 9 CO 0.00 0.42 0.11 1.55 -0.62 0.00 0.00 178.44 179.90 2i2r h PRO 10 N 0.83 0.00 -0.04 5.25 0.13 -1.81 0.66 132.00 137.02 2i2r h PRO 10 Ca 0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.43 2i2r h PRO 10 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2i2r h PRO 10 CO -0.23 0.00 -0.40 0.74 -0.23 0.00 0.00 178.00 177.88 2i2r h PHE 11 N 0.00 0.09 0.19 1.56 0.05 -1.80 -1.08 116.94 115.96 2i2r h PHE 11 Ca 0.01 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.77 2i2r h PHE 11 Cb 0.24 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.17 2i2r h PHE 11 CO 0.00 0.47 -0.09 0.00 -0.18 0.00 0.00 178.31 178.51 2i2r h ALA 12 N 1.53 -0.26 -1.19 2.45 0.00 0.11 -3.31 119.26 118.60 2i2r h ALA 12 Ca 0.00 -0.16 0.34 0.00 0.00 0.00 0.00 54.91 55.10 2i2r h ALA 12 Cb 0.74 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2i2r h ALA 12 CO 0.05 -0.27 0.83 0.07 0.00 0.00 0.00 179.25 179.93 2i2r h ARG 13 N -1.00 0.09 -0.55 0.00 0.11 -0.93 0.22 114.38 112.32 2i2r h ARG 13 Ca -0.03 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 2i2r h ARG 13 Cb 0.40 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 2i2r h ARG 13 CO 0.04 0.06 0.30 0.00 0.10 0.00 0.00 179.97 180.47 2i2r h ALA 14 N 1.45 1.49 -0.00 0.08 0.00 -1.27 -2.59 119.26 118.42 2i2r h ALA 14 Ca 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2i2r h ALA 14 Cb 2.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2i2r h ALA 14 CO -0.09 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 2i2r n ALA 15 N -2.45 2.52 0.03 0.00 0.00 0.76 -3.49 120.51 117.89 2i2r n ALA 15 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 2i2r n ALA 15 Cb 0.10 -1.47 -0.14 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 3.44 -0.07 -0.33 0.00 0.00 -1.52 -3.47 119.26 117.30 2i2r h ALA 16 Ca 0.00 -0.65 -0.59 0.00 0.00 0.00 0.00 54.91 53.67 2i2r h ALA 16 Cb 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2i2r h ALA 16 CO 0.00 0.31 0.74 0.44 0.00 0.00 0.00 179.25 180.73 2i2r n ILE 17 N -4.22 0.00 0.00 0.00 -0.00 -1.23 -2.14 119.36 111.78 2i2r n ILE 17 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 2i2r n ILE 17 Cb 0.75 -0.36 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 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 4.22 1.40 0.00 3.28 0.00 -1.26 -5.06 105.19 107.77 2i2r n GLY 18 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.34 1.61 2.14 -0.91 -5.17 117.44 113.77 2i2r n TRP 19 Ca 0.00 0.00 -0.00 0.00 2.07 0.00 0.00 57.50 59.57 2i2r n TRP 19 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 2i2r n TRP 19 CO 0.00 0.00 0.00 -0.12 2.07 0.00 0.00 177.69 179.64 2i2r n MET 20 N 0.00 -0.66 -0.91 -2.67 0.00 -1.26 -5.03 117.12 106.58 2i2r n MET 20 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 57.70 58.33 2i2r n MET 20 Cb 0.00 -1.23 0.22 0.00 0.00 0.00 0.00 33.22 32.21 2i2r n MET 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2i2r s PRO 21 N -1.51 -0.62 -0.04 2.12 0.04 -1.26 -4.99 135.00 128.74 2i2r s PRO 21 Ca -0.01 0.43 0.19 0.00 0.04 0.00 0.00 61.00 61.65 2i2r s PRO 21 Cb 0.00 -1.62 -0.29 0.00 0.04 0.00 0.00 34.50 32.62 2i2r s PRO 21 CO 0.04 -3.42 0.40 1.55 0.04 0.00 0.00 177.00 175.61 2i2r n VAL 22 N -4.64 0.09 1.36 -0.36 3.14 -1.26 -4.11 118.33 112.54 2i2r n VAL 22 Ca 0.06 -0.46 0.06 0.00 -2.96 0.00 0.00 64.34 61.03 2i2r n VAL 22 Cb 0.57 0.02 0.33 0.00 -1.06 0.00 0.00 33.84 33.70 2i2r n VAL 22 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i2r n ALA 23 N -2.21 2.25 -3.91 1.55 0.00 -1.26 -4.71 120.51 112.22 2i2r n ALA 23 Ca -0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 2i2r n ALA 23 Cb 0.55 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.75 -1.28 -2.48 0.00 0.23 -1.26 -5.09 115.26 104.63 2i2r n ASN 24 Ca 0.08 -2.67 -0.02 0.00 -0.53 0.00 0.00 54.58 51.44 2i2r n ASN 24 Cb 0.04 2.36 0.01 0.00 -2.08 0.00 0.00 39.78 40.11 2i2r n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2i2r n PRO 26 N -1.72 4.27 -2.19 0.00 -0.05 -1.26 -4.23 135.00 129.82 2i2r n PRO 26 Ca -0.01 -3.65 -0.02 0.00 -0.05 0.00 0.00 63.50 59.77 2i2r n PRO 26 Cb 0.52 -2.72 0.01 0.00 -0.05 0.00 0.00 33.50 31.25 2i2r n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 2i2r n MET 27 N 2.39 0.24 0.00 0.54 2.81 -1.26 -5.11 117.12 116.73 2i2r n MET 27 Ca 0.50 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2i2r n MET 27 Cb 0.30 0.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 2i2r n MET 27 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2i2r n PRO 28 N -0.41 0.00 -1.71 0.03 -0.04 -1.26 -4.77 135.00 126.84 2i2r n PRO 28 Ca -0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 2i2r n PRO 28 Cb 0.61 -0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.07 2i2r n PRO 28 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i2r n LEU 29 N -1.00 3.75 -4.92 1.53 4.32 -1.26 -4.91 117.00 114.51 2i2r n LEU 29 Ca 0.00 1.21 -0.28 0.00 -0.02 0.00 0.00 56.01 56.92 2i2r n LEU 29 Cb 0.00 -1.51 0.11 0.00 -1.62 0.00 0.00 43.42 40.40 2i2r n LEU 29 CO 0.00 -0.38 0.75 0.00 -1.22 0.00 0.00 177.39 176.54 2i2r s ALA 30 N -1.09 2.76 0.00 -1.18 0.00 -1.26 -5.22 121.76 115.77 2i2r s ALA 30 Ca 0.55 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2i2r s ALA 30 Cb -0.55 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2i2r s ALA 30 CO 0.62 -1.75 0.00 2.89 0.00 0.00 0.00 175.76 177.52 2i2r n ARG 37 N -3.29 1.14 0.00 0.00 1.85 -1.26 -5.26 116.66 109.84 2i2r n ARG 37 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2i2r n ARG 37 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2i2r n ARG 37 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2i2r n GLN 38 N 0.00 3.77 -4.32 2.89 7.27 -1.26 -5.13 117.38 120.60 2i2r n GLN 38 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 2i2r n GLN 38 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 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 0.08 5.30 0.17 1.69 2.15 -1.26 -5.05 116.67 119.76 2i2r s ASP 39 Ca 0.00 0.14 0.10 0.00 0.43 0.00 0.00 52.55 53.22 2i2r s ASP 39 Cb 0.00 -1.56 -0.04 0.00 -0.30 0.00 0.00 42.92 41.02 2i2r s ASP 39 CO 0.00 0.36 -0.21 -1.61 -0.17 0.00 0.00 175.17 173.54 2i2r s GLU 40 N -0.74 1.38 0.14 4.34 2.02 -1.26 -5.02 118.70 119.56 2i2r s GLU 40 Ca 0.12 -1.45 -0.24 0.00 0.02 0.00 0.00 54.97 53.42 2i2r s GLU 40 Cb -0.12 -1.57 -0.08 0.00 0.10 0.00 0.00 34.13 32.47 2i2r s GLU 40 CO 0.02 0.33 0.72 -0.51 0.02 0.00 0.00 175.26 175.84 2i2r s LEU 41 N -2.63 4.58 0.23 1.80 1.02 -1.26 -0.96 118.68 121.46 2i2r s LEU 41 Ca 0.17 1.54 0.08 0.00 0.02 0.00 0.00 54.13 55.94 2i2r s LEU 41 Cb -0.07 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.92 2i2r s LEU 41 CO 0.08 0.23 0.05 0.27 0.02 0.00 0.00 176.35 177.00 2i2r s ILE 42 N -1.13 3.83 -0.21 -0.59 -4.36 0.14 -4.88 121.20 114.00 2i2r s ILE 42 Ca 0.34 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 2i2r s ILE 42 Cb -0.22 -3.01 0.02 0.00 1.25 0.00 0.00 42.46 40.51 2i2r s ILE 42 CO 0.24 -0.26 -0.15 -0.69 0.24 0.00 0.00 174.94 174.32 2i2r s VAL 43 N -2.04 2.30 -0.43 8.37 1.01 -1.26 -2.39 120.40 125.96 2i2r s VAL 43 Ca 0.30 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 2i2r s VAL 43 Cb -0.08 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.34 2i2r s VAL 43 CO 0.21 0.40 0.27 -0.76 0.00 0.00 0.00 175.10 175.21 2i2r s LEU 44 N 1.28 5.34 -0.27 3.92 1.43 0.23 -2.46 118.68 128.15 2i2r s LEU 44 Ca 0.02 -1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 51.04 2i2r s LEU 44 Cb -0.15 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2i2r s LEU 44 CO -0.10 -0.59 1.36 0.21 0.23 0.00 0.00 176.35 177.46 2i2r s ASN 45 N 2.23 6.64 -0.41 2.29 3.84 0.16 -0.03 114.94 129.66 2i2r s ASN 45 Ca 0.05 1.33 0.03 0.00 0.21 0.00 0.00 52.86 54.48 2i2r s ASN 45 Cb -0.24 -2.54 0.11 0.00 -0.55 0.00 0.00 41.25 38.04 2i2r s ASN 45 CO -0.01 -1.09 0.15 -0.69 -2.79 0.00 0.00 177.10 172.67 2i2r s VAL 46 N 4.47 2.14 -0.68 -5.21 1.01 0.11 -1.35 120.40 120.89 2i2r s VAL 46 Ca 0.59 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.97 2i2r s VAL 46 Cb -0.19 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2i2r s VAL 46 CO 0.24 -0.71 0.00 -1.54 0.00 0.00 0.00 175.10 173.09 2i2r n SER 47 N 3.85 -5.46 0.00 3.32 3.41 -0.47 -2.43 113.62 115.84 2i2r n SER 47 Ca 0.04 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2i2r n SER 47 Cb 0.38 -3.52 0.00 0.00 -0.26 0.00 0.00 64.21 60.80 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 0.04 3.06 3.64 5.00 0.00 -1.26 -5.04 105.19 110.63 2i2r n GLY 48 Ca -0.06 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 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 2.37 -2.93 1.61 5.12 -1.02 -4.89 116.66 116.92 2i2r n ARG 49 Ca 0.00 0.83 -0.44 0.00 -1.93 0.00 0.00 57.85 56.31 2i2r n ARG 49 Cb 0.00 -2.91 -0.03 0.00 -1.16 0.00 0.00 32.46 28.36 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 4.84 3.43 0.37 5.56 0.52 -1.26 0.06 118.95 132.47 2i2r s ARG 50 Ca 0.94 -1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 54.38 2i2r s ARG 50 Cb -0.52 -4.68 -0.09 0.00 0.52 0.00 0.00 34.95 30.18 2i2r s ARG 50 CO 0.44 -1.75 1.10 -0.06 0.02 0.00 0.00 175.30 175.04 2i2r s PHE 51 N 2.97 3.29 -0.01 -0.53 0.08 0.96 -4.85 117.98 119.89 2i2r s PHE 51 Ca 0.28 1.63 0.04 0.00 0.12 0.00 0.00 56.93 59.00 2i2r s PHE 51 Cb -0.10 -3.24 -0.01 0.00 -0.57 0.00 0.00 43.02 39.10 2i2r s PHE 51 CO -0.03 -0.81 -0.12 -0.65 -0.10 0.00 0.00 175.22 173.50 2i2r s GLN 52 N -2.17 1.01 0.08 0.44 -0.21 -1.26 0.77 119.66 118.32 2i2r s GLN 52 Ca 0.54 -0.44 -0.20 0.00 0.02 0.00 0.00 55.36 55.28 2i2r s GLN 52 Cb -0.27 -0.97 0.05 0.00 1.00 0.00 0.00 33.01 32.81 2i2r s GLN 52 CO 0.34 0.26 0.49 -0.08 -2.12 0.00 0.00 175.29 174.18 2i2r s THR 53 N -0.26 0.04 0.24 -0.19 -1.32 -1.01 -4.99 115.64 108.15 2i2r s THR 53 Ca 0.04 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 2i2r s THR 53 Cb -0.05 -1.02 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 2i2r s THR 53 CO -0.00 -0.17 1.18 0.26 -2.21 0.00 0.00 174.62 173.67 2i2r s TRP 54 N -2.98 3.43 0.18 9.09 0.52 -1.26 0.27 118.94 128.19 2i2r s TRP 54 Ca -0.02 1.53 -0.14 0.00 0.02 0.00 0.00 56.10 57.48 2i2r s TRP 54 Cb -0.00 -3.41 0.15 0.00 -1.15 0.00 0.00 33.47 29.05 2i2r s TRP 54 CO -0.06 -1.05 1.72 -0.09 0.02 0.00 0.00 176.95 177.49 2i2r h ARG 55 N 4.43 0.22 -0.88 4.98 2.43 -1.39 0.14 114.38 124.30 2i2r h ARG 55 Ca -0.46 -0.01 0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2i2r h ARG 55 Cb 1.21 -0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.59 2i2r h ARG 55 CO 0.70 0.15 0.38 1.79 -1.51 0.00 0.00 179.97 181.48 2i2r h THR 56 N 0.23 0.49 -0.98 0.20 1.35 -1.92 0.11 112.91 112.39 2i2r h THR 56 Ca 0.22 -0.14 0.21 0.00 -0.55 0.00 0.00 66.41 66.15 2i2r h THR 56 Cb 0.27 0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 66.65 2i2r h THR 56 CO -0.28 0.07 0.62 0.74 -0.25 0.00 0.00 175.52 176.42 2i2r h THR 57 N 0.41 0.66 0.18 6.82 2.02 -1.08 -0.98 112.91 120.94 2i2r h THR 57 Ca 0.55 -0.20 -0.29 0.00 0.77 0.00 0.00 66.41 67.24 2i2r h THR 57 Cb 1.01 0.04 0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2i2r h THR 57 CO -0.52 0.10 -1.24 -0.07 0.37 0.00 0.00 175.52 174.17 2i2r h LEU 58 N 0.57 0.78 -1.74 2.58 3.38 -1.00 -3.24 115.31 116.63 2i2r h LEU 58 Ca 0.55 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2i2r h LEU 58 Cb 1.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2i2r h LEU 58 CO -0.30 1.60 0.16 -0.33 0.09 0.00 0.00 178.44 179.66 2i2r h GLU 59 N 0.08 0.00 -0.50 1.13 5.08 -0.54 -2.97 114.58 116.86 2i2r h GLU 59 Ca -0.21 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2i2r h GLU 59 Cb 1.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 2i2r h GLU 59 CO 0.23 0.00 0.33 -0.09 -1.00 0.00 0.00 179.01 178.49 2i2r h ARG 60 N 0.00 0.54 -2.97 2.33 2.43 -1.48 -3.11 114.38 112.12 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 0.32 -0.12 -0.41 0.00 -0.42 0.00 0.00 29.97 29.34 2i2r h ARG 60 CO 0.00 0.36 -0.68 0.71 -1.51 0.00 0.00 179.97 178.85 2i2r s TYR 61 N -5.50 2.82 1.07 2.20 1.51 -1.12 -5.10 117.35 113.23 2i2r s TYR 61 Ca -0.08 -3.00 -0.14 0.00 -1.01 0.00 0.00 57.07 52.84 2i2r s TYR 61 Cb 0.18 -2.26 0.22 0.00 -0.11 0.00 0.00 41.96 40.00 2i2r s TYR 61 CO 0.74 -0.66 1.09 -1.25 -1.11 0.00 0.00 175.55 174.37 2i2r s PRO 62 N -0.77 -0.15 -1.10 -1.71 0.04 -1.18 -3.25 135.00 126.88 2i2r s PRO 62 Ca 0.24 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2i2r s PRO 62 Cb -0.08 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2i2r s PRO 62 CO -0.13 -3.09 0.00 -0.40 0.04 0.00 0.00 177.00 173.43 2i2r n ASP 63 N -4.39 -4.69 -4.20 6.66 3.85 -1.26 -4.83 116.55 107.68 2i2r n ASP 63 Ca 0.07 0.26 -0.27 0.00 -0.71 0.00 0.00 54.79 54.13 2i2r n ASP 63 Cb 0.58 -3.10 -0.16 0.00 -1.35 0.00 0.00 41.12 37.09 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 -2.24 1.64 0.00 2.12 -4.23 -1.20 -4.94 115.64 106.79 2i2r s THR 64 Ca 0.00 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 2i2r s THR 64 Cb 0.00 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.46 2i2r s THR 64 CO 0.00 0.46 0.00 -0.11 -0.54 0.00 0.00 174.62 174.43 2i2r n LEU 65 N 2.79 0.00 -0.02 4.79 0.00 -0.83 0.89 117.00 124.62 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 -0.09 0.00 0.00 0.00 0.00 43.42 43.86 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 0.69 -2.68 -1.96 4.07 -1.92 -2.76 115.31 110.75 2i2r h LEU 66 Ca 0.00 -0.66 -0.00 0.00 0.08 0.00 0.00 57.88 57.29 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 1.25 -0.01 1.23 -1.08 0.00 0.00 178.44 179.83 2i2r h GLY 67 N 0.19 0.00 0.00 0.83 0.00 0.40 -3.45 103.07 101.03 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 -3.17 0.35 0.11 0.19 3.41 0.50 -4.18 113.62 110.82 2i2r n SER 68 Ca -0.02 -0.46 -0.01 0.00 -0.26 0.00 0.00 58.87 58.11 2i2r n SER 68 Cb 0.11 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 0.08 1.24 -0.85 6.66 1.03 -1.87 -3.38 112.91 115.83 2i2r h THR 69 Ca 0.00 -2.69 0.21 0.00 -0.01 0.00 0.00 66.41 63.93 2i2r h THR 69 Cb 0.00 2.57 -0.14 0.00 -1.07 0.00 0.00 68.15 69.51 2i2r h THR 69 CO 0.00 0.69 0.11 -0.08 -0.01 0.00 0.00 175.52 176.24 2i2r h GLU 70 N 0.00 0.13 0.00 0.00 4.81 -1.92 0.14 114.58 117.75 2i2r h GLU 70 Ca -0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2i2r h GLU 70 Cb 1.51 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2i2r h GLU 70 CO 0.09 0.09 0.22 1.57 -0.73 0.00 0.00 179.01 180.25 2i2r h LYS 71 N 0.14 0.00 -0.10 1.92 2.10 -1.67 -0.75 116.57 118.20 2i2r h LYS 71 Ca 0.50 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 59.18 2i2r h LYS 71 Cb 0.97 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2i2r h LYS 71 CO -0.70 0.00 0.09 1.49 -2.00 0.00 0.00 179.45 178.34 2i2r h GLU 72 N 0.00 0.00 0.00 0.07 4.57 -1.01 -0.01 114.58 118.20 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 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 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 -4.08 0.00 0.02 0.92 3.72 -0.29 -2.74 117.46 115.01 2i2r n PHE 73 Ca -0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.42 2i2r n PHE 73 Cb 0.20 -0.36 0.06 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.36 0.15 -2.95 1.38 3.01 -0.02 -5.01 117.46 112.66 2i2r n PHE 74 Ca 0.06 -0.33 -0.40 0.00 1.01 0.00 0.00 57.45 57.79 2i2r n PHE 74 Cb 0.15 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.81 3.82 -0.30 1.38 2.19 -1.11 -1.62 117.98 121.53 2i2r s PHE 75 Ca 0.09 1.59 -0.10 0.00 0.33 0.00 0.00 56.93 58.84 2i2r s PHE 75 Cb 0.05 -2.83 -0.02 0.00 -1.31 0.00 0.00 43.02 38.92 2i2r s PHE 75 CO 0.07 0.37 0.15 1.21 1.83 0.00 0.00 175.22 178.86 2i2r s ASN 76 N -0.54 5.59 0.17 6.13 3.84 -0.32 -4.96 114.94 124.85 2i2r s ASN 76 Ca 0.38 -0.37 -0.15 0.00 0.21 0.00 0.00 52.86 52.93 2i2r s ASN 76 Cb -0.22 -2.02 0.13 0.00 -0.55 0.00 0.00 41.25 38.59 2i2r s ASN 76 CO 0.25 -0.14 1.68 -0.08 -2.79 0.00 0.00 177.10 176.02 2i2r h GLU 77 N 8.34 0.07 0.00 0.43 4.57 -1.96 0.11 114.58 126.15 2i2r h GLU 77 Ca -0.34 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2i2r h GLU 77 Cb 1.16 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2i2r h GLU 77 CO 0.60 0.05 0.00 -0.25 -1.18 0.00 0.00 179.01 178.23 2i2r n ASP 78 N -5.24 0.00 0.11 1.04 8.00 -1.26 -3.61 116.55 115.58 2i2r n ASP 78 Ca 0.03 0.62 0.05 0.00 0.71 0.00 0.00 54.79 56.21 2i2r n ASP 78 Cb 0.23 -0.37 0.27 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.61 0.98 -3.71 -3.53 -2.24 -1.25 -4.78 114.28 98.14 2i2r n THR 79 Ca 0.00 0.66 -0.27 0.00 -2.27 0.00 0.00 64.05 62.16 2i2r n THR 79 Cb 0.00 -1.66 0.04 0.00 -2.10 0.00 0.00 70.33 66.62 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 -1.84 -6.12 -3.64 -0.78 3.00 0.37 -4.97 118.16 104.18 2i2r n LYS 80 Ca -0.01 0.69 -0.12 0.00 -0.00 0.00 0.00 58.31 58.87 2i2r n LYS 80 Cb 0.20 -5.62 -0.06 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 -6.42 0.98 0.10 1.64 -1.05 -1.14 -4.91 118.70 107.90 2i2r s GLU 81 Ca 0.60 -0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.68 2i2r s GLU 81 Cb -0.29 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 33.78 2i2r s GLU 81 CO 0.74 -0.35 1.09 0.71 0.95 0.00 0.00 175.26 178.40 2i2r s TYR 82 N -2.83 3.59 -0.08 4.83 1.51 -1.03 -1.17 117.35 122.17 2i2r s TYR 82 Ca -0.03 1.55 0.03 0.00 -1.01 0.00 0.00 57.07 57.61 2i2r s TYR 82 Cb -0.00 -3.26 0.01 0.00 -0.11 0.00 0.00 41.96 38.59 2i2r s TYR 82 CO -0.05 -0.60 -0.19 0.12 -1.11 0.00 0.00 175.55 173.73 2i2r s PHE 83 N 0.42 2.03 -0.10 2.71 5.36 -0.64 0.38 117.98 128.14 2i2r s PHE 83 Ca 0.52 -0.79 0.02 0.00 -0.96 0.00 0.00 56.93 55.73 2i2r s PHE 83 Cb -0.27 -1.40 0.01 0.00 -0.34 0.00 0.00 43.02 41.02 2i2r s PHE 83 CO 0.31 -0.34 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.51 2i2r s PHE 84 N 0.45 1.98 -0.29 10.12 0.08 -0.45 -4.84 117.98 125.02 2i2r s PHE 84 Ca -0.16 -0.89 -0.02 0.00 0.12 0.00 0.00 56.93 55.99 2i2r s PHE 84 Cb -0.17 -1.41 0.14 0.00 -0.57 0.00 0.00 43.02 41.01 2i2r s PHE 84 CO 0.06 -0.44 2.22 -3.47 -0.10 0.00 0.00 175.22 173.49 2i2r n ASP 85 N 4.05 6.28 -5.02 1.36 2.03 -1.26 -1.37 116.55 122.62 2i2r n ASP 85 Ca -0.20 -2.98 -0.19 0.00 0.52 0.00 0.00 54.79 51.94 2i2r n ASP 85 Cb 0.51 -1.11 0.04 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 -1.45 2.45 0.22 -0.67 1.81 -1.26 -4.94 118.95 115.11 2i2r s ARG 86 Ca 0.34 -1.54 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 2i2r s ARG 86 Cb 0.24 -2.66 -0.10 0.00 -0.45 0.00 0.00 34.95 31.98 2i2r s ARG 86 CO -0.04 -0.68 1.54 0.34 -0.68 0.00 0.00 175.30 175.78 2i2r s ASP 87 N -4.56 6.56 0.11 0.23 2.15 -1.26 -4.18 116.67 115.71 2i2r s ASP 87 Ca 0.59 2.71 0.05 0.00 0.43 0.00 0.00 52.55 56.33 2i2r s ASP 87 Cb -0.07 -2.61 -0.22 0.00 -0.30 0.00 0.00 42.92 39.72 2i2r s ASP 87 CO 0.37 -0.81 1.25 1.55 -0.17 0.00 0.00 175.17 177.36 2i2r h PRO 88 N 5.78 0.05 0.80 4.34 0.13 -1.95 -3.29 132.00 137.86 2i2r h PRO 88 Ca -0.45 -0.09 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2i2r h PRO 88 Cb 1.21 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2i2r h PRO 88 CO 0.84 1.04 -0.43 1.49 -0.23 0.00 0.00 178.00 180.71 2i2r h GLU 89 N 0.01 -1.09 -0.77 0.86 4.57 -1.93 -3.06 114.58 113.18 2i2r h GLU 89 Ca -0.04 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2i2r h GLU 89 Cb 1.81 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 30.61 2i2r h GLU 89 CO 0.14 -0.73 0.50 0.28 -1.18 0.00 0.00 179.01 178.03 2i2r h VAL 90 N -1.13 1.12 -1.09 0.32 2.07 -1.99 -0.32 116.25 115.23 2i2r h VAL 90 Ca -0.11 -0.32 0.31 0.00 0.82 0.00 0.00 66.70 67.40 2i2r h VAL 90 Cb 0.88 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 2i2r h VAL 90 CO 0.15 0.17 0.78 0.15 0.02 0.00 0.00 177.57 178.84 2i2r h PHE 91 N 0.94 0.05 -0.57 1.57 3.57 -1.60 0.12 116.94 121.02 2i2r h PHE 91 Ca 0.30 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.92 2i2r h PHE 91 Cb 0.04 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 2i2r h PHE 91 CO -0.00 0.00 -0.02 0.00 -2.23 0.00 0.00 178.31 176.07 2i2r h ARG 92 N 0.03 0.10 -0.05 1.11 3.08 -1.00 0.20 114.38 117.85 2i2r h ARG 92 Ca 0.53 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 2i2r h ARG 92 Cb 2.05 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.08 2i2r h ARG 92 CO -0.03 0.07 -0.05 0.00 -1.07 0.00 0.00 179.97 178.89 2i2r h VAL 94 N -0.32 0.51 0.14 0.00 2.07 -1.33 0.31 116.25 117.63 2i2r h VAL 94 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2i2r h VAL 94 Cb 0.54 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2i2r h VAL 94 CO 0.01 0.00 -0.11 0.25 0.02 0.00 0.00 177.57 177.74 2i2r h LEU 95 N -0.08 -0.29 -2.55 2.57 5.85 -0.44 -2.39 115.31 117.98 2i2r h LEU 95 Ca 0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.94 2i2r h LEU 95 Cb 0.36 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2i2r h LEU 95 CO -0.42 -0.18 0.13 0.78 -0.34 0.00 0.00 178.44 178.41 2i2r h ASN 96 N -0.26 0.00 -0.14 1.25 2.35 0.34 0.28 115.58 119.39 2i2r h ASN 96 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 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 -0.01 0.00 -0.38 0.15 -1.65 0.00 0.00 177.43 175.53 2i2r h PHE 97 N 0.00 0.80 0.00 1.19 3.04 0.11 -2.38 116.94 119.70 2i2r h PHE 97 Ca 0.01 -0.23 -0.03 0.00 3.98 0.00 0.00 57.97 61.70 2i2r h PHE 97 Cb 0.28 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 2i2r h PHE 97 CO 0.00 0.95 -0.15 1.88 -2.02 0.00 0.00 178.31 178.97 2i2r h TYR 98 N 0.55 0.00 0.00 0.41 -1.99 -0.37 -3.37 116.97 112.20 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 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 2i2r h TYR 98 CO 0.04 0.15 0.00 0.54 -0.00 0.00 0.00 178.16 178.90 2i2r n ARG 99 N -3.39 0.00 -2.59 4.88 1.74 -1.04 -4.83 116.66 111.42 2i2r n ARG 99 Ca -0.00 0.23 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 2i2r n ARG 99 Cb 0.35 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.46 31.06 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 -0.60 4.51 0.55 0.55 -4.23 -0.92 -4.96 115.64 110.54 2i2r s THR 100 Ca 0.00 1.26 0.28 0.00 -1.18 0.00 0.00 61.69 62.05 2i2r s THR 100 Cb 0.00 -3.68 0.42 0.00 1.34 0.00 0.00 72.50 70.58 2i2r s THR 100 CO 0.00 -0.54 1.95 1.23 -0.54 0.00 0.00 174.62 176.72 2i2r h GLY 101 N 1.32 0.00 -4.49 3.99 0.00 -1.85 -3.38 103.07 98.66 2i2r h GLY 101 Ca -0.48 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.32 2i2r h GLY 101 CO 0.62 0.00 0.24 0.54 0.00 0.00 0.00 176.54 177.94 2i2r s LYS 102 N -4.89 4.55 -0.28 4.80 1.02 -1.26 -4.87 119.74 118.81 2i2r s LYS 102 Ca -0.05 1.21 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 2i2r s LYS 102 Cb 0.19 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 2i2r s LYS 102 CO 0.69 0.15 0.35 -1.17 -0.92 0.00 0.00 175.35 174.45 2i2r s LEU 103 N 0.35 4.09 -0.01 3.17 2.96 -1.26 -4.06 118.68 123.91 2i2r s LEU 103 Ca 0.43 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2i2r s LEU 103 Cb -0.21 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2i2r s LEU 103 CO 0.25 -0.19 0.12 -1.00 -1.32 0.00 0.00 176.35 174.21 2i2r s HIS 104 N 2.03 3.41 -0.43 5.38 3.76 -1.26 -3.15 115.29 125.03 2i2r s HIS 104 Ca 0.14 0.29 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 2i2r s HIS 104 Cb -0.16 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.77 2i2r s HIS 104 CO 0.10 0.60 0.54 -0.47 -0.85 0.00 0.00 174.74 174.66 2i2r s TYR 105 N -1.23 3.12 -0.48 1.40 5.04 -1.26 -4.97 117.35 118.97 2i2r s TYR 105 Ca 0.24 -0.22 -0.27 0.00 -2.44 0.00 0.00 57.07 54.38 2i2r s TYR 105 Cb -0.12 -3.11 -0.08 0.00 0.35 0.00 0.00 41.96 38.99 2i2r s TYR 105 CO 0.15 -0.78 2.41 -0.35 -1.34 0.00 0.00 175.55 175.63 2i2r n PRO 106 N 5.92 1.10 0.00 4.97 -0.04 -1.26 -4.82 135.00 140.87 2i2r n PRO 106 Ca -0.05 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2i2r n PRO 106 Cb 0.48 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 8.92 0.15 0.00 0.54 1.74 -1.26 -1.88 116.66 124.87 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 0.49 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 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 0.78 0.00 -1.27 -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 0.06 0.09 0.11 0.00 -0.38 0.00 0.00 39.34 39.23 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 -2.44 0.42 -2.50 -3.48 -0.58 -0.79 -4.96 120.64 106.32 2i2r n GLU 109 Ca 0.00 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.55 2i2r n GLU 109 Cb 0.30 -2.44 -0.04 0.00 -0.57 0.00 0.00 31.44 28.69 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 3.49 0.00 -0.74 0.00 1.08 -1.93 -2.11 117.51 117.30 2i2r h ILE 111 Ca -0.45 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.19 2i2r h ILE 111 Cb 1.21 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.84 2i2r h ILE 111 CO 0.71 0.00 0.10 -1.28 -0.69 0.00 0.00 178.15 176.98 2i2r h SER 112 N -0.15 -0.16 -0.97 1.72 0.87 -1.94 0.78 113.55 113.69 2i2r h SER 112 Ca 0.03 0.17 0.24 0.00 -1.23 0.00 0.00 61.79 61.00 2i2r h SER 112 Cb 0.23 0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 2i2r h SER 112 CO -0.24 -0.11 0.65 0.00 -0.53 0.00 0.00 176.83 176.60 2i2r h ALA 113 N 1.66 2.33 0.00 6.23 0.00 -1.78 -2.40 119.26 125.30 2i2r h ALA 113 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2i2r h ALA 113 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2i2r h ALA 113 CO -0.58 -0.66 -1.39 0.98 0.00 0.00 0.00 179.25 177.59 2i2r n TYR 114 N -4.51 0.00 -0.04 0.00 9.36 0.13 -3.72 117.16 118.38 2i2r n TYR 114 Ca 0.22 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.29 2i2r n TYR 114 Cb 0.82 -0.24 -0.07 0.00 -0.63 0.00 0.00 39.34 39.22 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 0.63 -0.53 2.98 3.32 -0.92 -2.24 116.42 119.66 2i2r h ASP 115 Ca 0.00 -0.59 0.11 0.00 0.02 0.00 0.00 57.03 56.57 2i2r h ASP 115 Cb 0.55 -0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.81 2i2r h ASP 115 CO 0.00 1.11 -0.19 0.44 -1.72 0.00 0.00 179.24 178.88 2i2r h ASP 116 N 0.19 -0.68 -0.38 6.45 3.45 -1.60 0.55 116.42 124.39 2i2r h ASP 116 Ca -0.01 0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2i2r h ASP 116 Cb 1.05 0.40 -0.02 0.00 -0.56 0.00 0.00 39.33 40.20 2i2r h ASP 116 CO 0.09 -0.23 0.11 -0.33 -1.57 0.00 0.00 179.24 177.31 2i2r h GLU 117 N -0.07 0.61 -0.89 3.56 4.39 -1.64 -2.59 114.58 117.96 2i2r h GLU 117 Ca 0.25 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.87 2i2r h GLU 117 Cb 0.46 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 2i2r h GLU 117 CO -0.58 0.62 0.58 -0.07 -1.16 0.00 0.00 179.01 178.40 2i2r h LEU 118 N 0.47 0.89 -0.89 1.33 3.38 -0.63 -1.78 115.31 118.08 2i2r h LEU 118 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2i2r h LEU 118 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2i2r h LEU 118 CO -0.00 0.58 0.30 0.00 0.09 0.00 0.00 178.44 179.41 2i2r h ALA 119 N 1.51 1.12 0.17 1.53 0.00 -0.69 -1.67 119.26 121.23 2i2r h ALA 119 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2i2r h ALA 119 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2i2r h ALA 119 CO -0.14 0.63 -0.08 0.35 0.00 0.00 0.00 179.25 180.01 2i2r h PHE 120 N 1.09 -0.22 0.00 0.00 3.57 -0.96 -3.18 116.94 117.23 2i2r h PHE 120 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2i2r h PHE 120 Cb 0.20 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2i2r h PHE 120 CO 0.02 0.01 0.00 0.66 -2.23 0.00 0.00 178.31 176.76 2i2r n TYR 121 N -5.11 0.00 -0.81 0.41 4.01 -0.87 -4.83 117.16 109.96 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 0.18 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.75 0.50 3.74 2.72 0.00 -0.97 -1.97 105.19 109.96 2i2r n GLY 122 Ca 0.19 -0.86 -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 5.40 0.04 -0.61 1.09 -0.67 -4.74 121.20 119.71 2i2r s ILE 123 Ca 0.00 0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.43 2i2r s ILE 123 Cb 0.00 -3.46 -0.05 0.00 -1.06 0.00 0.00 42.46 37.90 2i2r s ILE 123 CO 0.00 0.46 1.09 -0.76 -0.10 0.00 0.00 174.94 175.63 2i2r s LEU 124 N 0.23 4.38 0.06 2.97 2.01 -1.26 -4.27 118.68 122.79 2i2r s LEU 124 Ca 0.09 1.86 -0.10 0.00 0.01 0.00 0.00 54.13 55.98 2i2r s LEU 124 Cb -0.11 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.50 2i2r s LEU 124 CO -0.01 -0.36 0.53 -2.65 1.01 0.00 0.00 176.35 174.86 2i2r n PRO 125 N 3.84 -0.14 -2.82 1.29 -0.01 -1.26 -2.07 135.00 133.83 2i2r n PRO 125 Ca 0.07 0.52 -0.30 0.00 -0.01 0.00 0.00 63.50 63.78 2i2r n PRO 125 Cb 0.48 -0.76 -0.02 0.00 -0.01 0.00 0.00 33.50 33.19 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 -4.43 3.71 -0.12 -0.52 0.28 -1.26 -4.25 120.64 114.05 2i2r n GLU 126 Ca 0.01 -4.77 0.06 0.00 -0.16 0.00 0.00 57.16 52.30 2i2r n GLU 126 Cb 0.09 -2.29 0.19 0.00 1.43 0.00 0.00 31.44 30.87 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 0.32 -1.93 3.84 5.41 -0.88 -4.97 119.36 120.92 2i2r n ILE 127 Ca 0.35 -0.34 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 2i2r n ILE 127 Cb 0.38 0.19 -0.02 0.00 -0.71 0.00 0.00 39.64 39.48 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 -1.68 2.50 1.16 1.39 1.01 -1.26 -4.35 121.20 119.96 2i2r s ILE 128 Ca 0.21 0.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.14 2i2r s ILE 128 Cb 0.11 -3.25 0.28 0.00 0.01 0.00 0.00 42.46 39.61 2i2r s ILE 128 CO 0.16 0.05 1.03 -0.83 0.00 0.00 0.00 174.94 175.35 2i2r s GLY 129 N 0.64 1.55 0.49 6.18 0.00 -1.19 -4.60 107.32 110.40 2i2r s GLY 129 Ca 0.64 -0.08 0.18 0.00 0.00 0.00 0.00 44.72 45.46 2i2r s GLY 129 CO 0.40 0.63 2.07 -0.55 0.00 0.00 0.00 173.10 175.66 2i2r h ASP 130 N -2.61 0.00 -0.48 1.64 5.19 -1.94 -1.31 116.42 116.91 2i2r h ASP 130 Ca -0.61 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.78 2i2r h ASP 130 Cb 1.33 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 2i2r h ASP 130 CO 0.50 0.11 0.23 0.00 -3.12 0.00 0.00 179.24 176.95 2i2r n TYR 133 N -2.10 0.09 0.09 0.00 -0.00 -0.52 0.02 117.16 114.74 2i2r n TYR 133 Ca -0.07 0.04 -0.12 0.00 -0.00 0.00 0.00 57.90 57.74 2i2r n TYR 133 Cb 0.56 -0.56 -0.08 0.00 -0.00 0.00 0.00 39.34 39.26 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 -0.27 0.00 -3.48 4.39 -1.77 -3.07 114.58 110.39 2i2r h GLU 134 Ca 0.00 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2i2r h GLU 134 Cb 0.09 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2i2r h GLU 134 CO 0.00 0.11 -0.52 0.93 -1.16 0.00 0.00 179.01 178.37 2i2r h GLU 135 N -0.75 0.00 -0.15 2.33 4.39 -1.18 -2.72 114.58 116.49 2i2r h GLU 135 Ca -0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 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 0.52 -0.19 -0.92 -1.16 0.00 0.00 179.01 177.31 2i2r h TYR 136 N 0.00 0.28 0.26 4.33 5.03 -0.53 -3.00 116.97 123.33 2i2r h TYR 136 Ca -0.01 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.25 2i2r h TYR 136 Cb 1.22 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.43 2i2r h TYR 136 CO 0.00 0.44 -0.13 0.87 -1.32 0.00 0.00 178.16 178.02 2i2r h LYS 137 N 0.24 -0.34 0.00 1.82 1.79 -1.42 -3.18 116.57 115.48 2i2r h LYS 137 Ca 0.04 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2i2r h LYS 137 Cb 0.47 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2i2r h LYS 137 CO 0.03 -0.23 0.00 -0.25 -1.08 0.00 0.00 179.45 177.92 2i2r n ASP 138 N -3.50 0.00 -2.18 0.86 9.92 -1.04 -1.00 116.55 119.61 2i2r n ASP 138 Ca -0.04 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 2i2r n ASP 138 Cb 0.14 -0.22 0.05 0.00 -0.64 0.00 0.00 41.12 40.44 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 1.23 0.00 -1.24 1.85 -1.14 -5.09 116.66 111.04 2i2r n ARG 139 Ca 0.01 -3.00 0.00 0.00 -1.00 0.00 0.00 57.85 53.86 2i2r n ARG 139 Cb 0.01 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 2i2r n ARG 139 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25