#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i4r s HIS -1 N 0.00 1.67 -0.04 0.66 4.02 -1.26 -4.04 115.29 116.31 2i4r s HIS -1 Ca 0.00 -0.32 -0.02 0.00 1.02 0.00 0.00 55.06 55.75 2i4r s HIS -1 Cb 0.00 -1.08 0.03 0.00 -1.02 0.00 0.00 32.58 30.52 2i4r s HIS -1 CO 0.00 -0.03 0.08 -1.17 1.02 0.00 0.00 174.74 174.64 2i4r s LEU 4 N -0.43 0.68 0.11 0.89 0.20 -1.26 -4.17 118.68 114.70 2i4r s LEU 4 Ca 0.07 0.15 0.10 0.00 0.69 0.00 0.00 54.13 55.15 2i4r s LEU 4 Cb -0.07 0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.73 2i4r s LEU 4 CO -0.01 -0.17 -0.26 0.00 -0.29 0.00 0.00 176.35 175.62 2i4r s ALA 5 N 1.43 2.29 -0.02 5.97 0.00 1.00 -4.43 121.76 128.01 2i4r s ALA 5 Ca -0.05 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.55 2i4r s ALA 5 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2i4r s ALA 5 CO -0.04 0.52 -0.16 0.08 0.00 0.00 0.00 175.76 176.16 2i4r s VAL 6 N -1.01 1.25 -0.13 0.00 1.01 -0.60 0.14 120.40 121.07 2i4r s VAL 6 Ca 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2i4r s VAL 6 Cb -0.10 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2i4r s VAL 6 CO 0.05 0.36 -0.21 -0.69 0.00 0.00 0.00 175.10 174.61 2i4r s VAL 7 N -0.24 1.95 0.00 2.92 1.01 0.03 -0.48 120.40 125.59 2i4r s VAL 7 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2i4r s VAL 7 Cb -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2i4r s VAL 7 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2i4r n GLY 8 N 3.99 0.79 3.75 4.51 0.00 -0.77 -4.27 105.19 113.18 2i4r n GLY 8 Ca -0.20 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2i4r n GLY 8 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i4r s ASP 9 N 0.00 4.73 0.54 1.61 -4.77 -1.00 -1.81 116.67 115.96 2i4r s ASP 9 Ca 0.00 2.23 0.35 0.00 -3.30 0.00 0.00 52.55 51.83 2i4r s ASP 9 Cb 0.00 -2.58 1.53 0.00 -1.09 0.00 0.00 42.92 40.78 2i4r s ASP 9 CO 0.00 -1.89 1.81 1.55 0.70 0.00 0.00 175.17 177.34 2i4r h PRO 10 N 0.07 0.02 -0.14 2.11 0.13 -1.94 0.12 132.00 132.37 2i4r h PRO 10 Ca -0.48 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2i4r h PRO 10 Cb 1.28 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2i4r h PRO 10 CO 0.52 0.01 -0.79 -0.44 -0.23 0.00 0.00 178.00 177.08 2i4r h ASP 11 N 0.02 0.91 0.13 1.44 5.19 -1.98 -2.10 116.42 120.04 2i4r h ASP 11 Ca 0.56 -0.61 -0.18 0.00 -0.62 0.00 0.00 57.03 56.18 2i4r h ASP 11 Cb 2.19 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 41.43 2i4r h ASP 11 CO -0.02 1.40 -0.67 0.15 -3.12 0.00 0.00 179.24 176.99 2i4r h PHE 12 N 0.52 0.65 -0.02 4.55 3.04 -1.18 -3.25 116.94 121.25 2i4r h PHE 12 Ca -0.06 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.63 2i4r h PHE 12 Cb 1.42 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2i4r h PHE 12 CO 0.08 1.02 0.00 0.25 -2.02 0.00 0.00 178.31 177.64 2i4r n THR 13 N -3.89 0.01 0.02 4.41 -2.24 -0.25 -4.22 114.28 108.12 2i4r n THR 13 Ca -0.04 -0.21 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 2i4r n THR 13 Cb 0.67 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 2i4r n THR 13 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2i4r h ILE 14 N 1.93 1.34 0.00 2.28 6.09 -1.41 -3.17 117.51 124.57 2i4r h ILE 14 Ca 0.00 -2.16 0.00 0.00 -1.37 0.00 0.00 64.86 61.33 2i4r h ILE 14 Cb 0.41 2.45 0.00 0.00 0.47 0.00 0.00 36.82 40.15 2i4r h ILE 14 CO 0.00 0.65 0.00 1.23 -3.07 0.00 0.00 178.15 176.96 2i4r h GLY 15 N 0.20 0.00 -2.13 8.18 0.00 -1.78 -1.83 103.07 105.71 2i4r h GLY 15 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 2i4r h GLY 15 CO 0.17 0.00 0.09 0.69 0.00 0.00 0.00 176.54 177.49 2i4r n PHE 16 N -3.06 0.66 0.00 5.60 3.01 -1.20 -2.90 117.46 119.57 2i4r n PHE 16 Ca -0.02 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.89 2i4r n PHE 16 Cb 0.15 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 2i4r n PHE 16 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2i4r n LEU 18 N 0.12 0.00 -0.69 4.37 4.77 -0.69 -1.10 117.00 123.77 2i4r n LEU 18 Ca 0.12 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 2i4r n LEU 18 Cb 0.66 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.89 2i4r n LEU 18 CO 0.12 0.00 0.56 0.00 -1.33 0.00 0.00 177.39 176.74 2i4r n ALA 19 N 0.00 2.66 0.00 -1.18 0.00 -1.14 -4.90 120.51 115.95 2i4r n ALA 19 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2i4r n ALA 19 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2i4r n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i4r n GLY 20 N 0.68 3.28 3.70 0.00 0.00 -1.11 -5.05 105.19 106.70 2i4r n GLY 20 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2i4r n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2i4r s ILE 21 N -2.86 2.68 -0.08 -0.61 1.01 -0.26 -4.89 121.20 116.19 2i4r s ILE 21 Ca 0.00 0.35 0.11 0.00 0.00 0.00 0.00 60.65 61.12 2i4r s ILE 21 Cb 0.00 -3.23 0.20 0.00 0.01 0.00 0.00 42.46 39.44 2i4r s ILE 21 CO 0.00 0.01 1.10 -1.54 0.00 0.00 0.00 174.94 174.51 2i4r n SER 22 N 4.77 1.26 -3.36 3.58 3.41 -1.26 -4.72 113.62 117.29 2i4r n SER 22 Ca 0.15 -2.65 -0.33 0.00 -0.26 0.00 0.00 58.87 55.79 2i4r n SER 22 Cb 0.39 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2i4r n SER 22 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2i4r n ASP 23 N -0.68 5.37 -4.89 4.04 -0.08 -1.26 -5.04 116.55 114.00 2i4r n ASP 23 Ca 0.09 -3.61 -0.34 0.00 -1.51 0.00 0.00 54.79 49.42 2i4r n ASP 23 Cb 0.71 -0.84 -0.05 0.00 2.34 0.00 0.00 41.12 43.28 2i4r n ASP 23 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2i4r s ILE 24 N -3.82 5.35 -0.39 5.18 1.09 -1.26 -1.55 121.20 125.80 2i4r s ILE 24 Ca 0.42 0.09 0.02 0.00 -1.10 0.00 0.00 60.65 60.09 2i4r s ILE 24 Cb 0.20 -3.55 0.11 0.00 -1.06 0.00 0.00 42.46 38.16 2i4r s ILE 24 CO -0.08 0.38 0.13 -0.31 -0.10 0.00 0.00 174.94 174.96 2i4r s TYR 25 N -1.28 3.64 -0.51 3.97 2.02 0.37 -4.94 117.35 120.61 2i4r s TYR 25 Ca 0.26 -2.90 -0.28 0.00 -0.37 0.00 0.00 57.07 53.78 2i4r s TYR 25 Cb -0.13 -2.99 0.02 0.00 -0.40 0.00 0.00 41.96 38.46 2i4r s TYR 25 CO 0.16 -0.92 1.30 -1.21 -1.57 0.00 0.00 175.55 173.30 2i4r s GLU 26 N 0.74 3.51 0.10 -0.62 2.02 -1.26 -1.85 118.70 121.34 2i4r s GLU 26 Ca 0.12 0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.73 2i4r s GLU 26 Cb -0.21 -4.02 -0.03 0.00 0.10 0.00 0.00 34.13 29.96 2i4r s GLU 26 CO -0.06 -1.66 -0.22 0.54 0.02 0.00 0.00 175.26 173.88 2i4r s VAL 27 N 5.28 1.79 0.10 2.63 0.11 -0.75 -4.96 120.40 124.60 2i4r s VAL 27 Ca 0.51 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 2i4r s VAL 27 Cb -0.10 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.14 2i4r s VAL 27 CO 0.29 -0.02 0.00 0.35 -3.33 0.00 0.00 175.10 172.38 2i4r n THR 28 N 1.11 0.10 -2.26 5.04 -2.24 -1.26 -2.38 114.28 112.39 2i4r n THR 28 Ca -0.19 0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2i4r n THR 28 Cb 0.53 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 2i4r n THR 28 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2i4r s SER 29 N -4.60 6.92 0.26 3.42 1.04 -1.26 -4.87 113.70 114.61 2i4r s SER 29 Ca 0.00 2.26 0.18 0.00 0.48 0.00 0.00 55.95 58.88 2i4r s SER 29 Cb 0.00 -2.59 0.91 0.00 0.10 0.00 0.00 66.02 64.44 2i4r s SER 29 CO 0.00 -0.56 0.98 -0.67 0.98 0.00 0.00 173.24 173.98 2i4r n ASP 30 N 3.50 0.16 0.18 7.02 -0.08 -1.26 0.60 116.55 126.67 2i4r n ASP 30 Ca 0.09 0.92 -0.13 0.00 -1.51 0.00 0.00 54.79 54.16 2i4r n ASP 30 Cb 0.44 -0.45 -0.08 0.00 2.34 0.00 0.00 41.12 43.37 2i4r n ASP 30 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2i4r h GLU 31 N 0.00 -0.47 -0.29 -0.67 4.11 -1.95 -3.16 114.58 112.16 2i4r h GLU 31 Ca 0.55 0.03 0.08 0.00 0.07 0.00 0.00 59.36 60.09 2i4r h GLU 31 Cb 1.68 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 2i4r h GLU 31 CO -0.35 -0.15 0.22 0.93 0.07 0.00 0.00 179.01 179.73 2i4r h GLU 32 N -0.85 0.00 0.77 1.06 5.08 -0.20 -2.48 114.58 117.96 2i4r h GLU 32 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2i4r h GLU 32 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2i4r h GLU 32 CO 0.08 0.00 -0.37 0.82 -1.00 0.00 0.00 179.01 178.54 2i4r h ILE 33 N 0.00 0.23 -0.81 3.13 2.04 -1.42 -1.21 117.51 119.47 2i4r h ILE 33 Ca 0.14 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.02 2i4r h ILE 33 Cb 0.57 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2i4r h ILE 33 CO -0.00 0.00 0.53 0.58 0.00 0.00 0.00 178.15 179.26 2i4r h VAL 34 N -1.06 1.07 0.15 1.67 2.07 -1.43 -1.33 116.25 117.38 2i4r h VAL 34 Ca -0.11 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2i4r h VAL 34 Cb 0.80 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2i4r h VAL 34 CO 0.17 0.17 -0.07 0.50 0.02 0.00 0.00 177.57 178.36 2i4r h LYS 35 N 0.93 -0.19 -0.42 1.57 3.64 -1.31 -1.66 116.57 119.13 2i4r h LYS 35 Ca 0.34 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.82 2i4r h LYS 35 Cb 0.17 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.94 2i4r h LYS 35 CO -0.12 0.06 -0.33 0.00 -2.27 0.00 0.00 179.45 176.79 2i4r h ALA 36 N 0.40 -0.18 -0.72 5.00 0.00 -0.59 0.56 119.26 123.72 2i4r h ALA 36 Ca -0.02 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2i4r h ALA 36 Cb 0.33 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2i4r h ALA 36 CO 0.03 -0.73 0.47 0.28 0.00 0.00 0.00 179.25 179.31 2i4r h VAL 37 N -0.25 1.00 -0.24 0.00 2.07 -1.22 0.85 116.25 118.47 2i4r h VAL 37 Ca 0.18 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2i4r h VAL 37 Cb 0.54 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2i4r h VAL 37 CO -0.56 0.13 -0.17 -0.33 0.02 0.00 0.00 177.57 176.66 2i4r h GLU 38 N 0.71 0.54 -0.04 1.57 5.08 0.54 -1.91 114.58 121.08 2i4r h GLU 38 Ca 0.32 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2i4r h GLU 38 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 2i4r h GLU 38 CO -0.11 0.83 0.02 -0.44 -1.00 0.00 0.00 179.01 178.32 2i4r h ASP 39 N 0.25 0.04 -0.17 1.42 3.32 0.97 -0.95 116.42 121.29 2i4r h ASP 39 Ca 0.05 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2i4r h ASP 39 Cb 0.70 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2i4r h ASP 39 CO 0.05 0.07 0.10 1.62 -1.72 0.00 0.00 179.24 179.36 2i4r h VAL 40 N 0.02 1.06 0.00 -1.35 3.04 -0.88 0.18 116.25 118.32 2i4r h VAL 40 Ca 0.01 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 2i4r h VAL 40 Cb 0.03 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2i4r h VAL 40 CO -0.00 0.06 0.00 0.18 -1.01 0.00 0.00 177.57 176.80 2i4r n LEU 41 N -4.49 0.42 0.05 3.16 4.77 -0.72 -2.99 117.00 117.20 2i4r n LEU 41 Ca -0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2i4r n LEU 41 Cb 0.09 -0.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2i4r n LEU 41 CO 0.35 -0.10 0.22 1.17 -1.33 0.00 0.00 177.39 177.70 2i4r n LYS 42 N -1.89 0.32 -1.83 3.23 4.81 0.58 -4.92 118.16 118.46 2i4r n LYS 42 Ca 0.06 0.06 -0.29 0.00 -0.87 0.00 0.00 58.31 57.28 2i4r n LYS 42 Cb 0.38 -1.67 0.11 0.00 0.02 0.00 0.00 35.03 33.87 2i4r n LYS 42 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2i4r s ARG 43 N -3.19 1.71 0.00 1.64 0.52 -0.90 -5.02 118.95 113.71 2i4r s ARG 43 Ca 0.05 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 2i4r s ARG 43 Cb 0.13 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.68 2i4r s ARG 43 CO 0.75 -1.77 0.44 -0.40 0.02 0.00 0.00 175.30 174.33 2i4r n ASP 44 N -3.44 0.86 -0.54 0.23 5.75 -1.26 -4.74 116.55 113.40 2i4r n ASP 44 Ca 0.08 -1.05 0.07 0.00 -0.01 0.00 0.00 54.79 53.88 2i4r n ASP 44 Cb 0.61 0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.88 2i4r n ASP 44 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2i4r n ASP 45 N -0.03 1.78 -4.19 -1.12 5.75 -1.26 -4.88 116.55 112.60 2i4r n ASP 45 Ca 0.00 -3.68 -0.34 0.00 -0.01 0.00 0.00 54.79 50.76 2i4r n ASP 45 Cb 0.06 -0.50 -0.14 0.00 -1.03 0.00 0.00 41.12 39.51 2i4r n ASP 45 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2i4r s VAL 46 N -3.02 2.84 -0.13 2.12 1.01 -1.26 -4.14 120.40 117.83 2i4r s VAL 46 Ca 0.36 -1.10 0.22 0.00 0.00 0.00 0.00 61.98 61.46 2i4r s VAL 46 Cb 0.35 -2.48 -0.18 0.00 0.00 0.00 0.00 36.38 34.07 2i4r s VAL 46 CO -0.06 0.15 0.74 0.61 0.00 0.00 0.00 175.10 176.54 2i4r n GLY 47 N 4.65 -1.22 3.46 4.51 0.00 -1.26 -3.48 105.19 111.85 2i4r n GLY 47 Ca -0.16 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 2i4r n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i4r s VAL 48 N -3.43 0.01 -0.07 1.61 0.11 -1.26 -1.54 120.40 115.82 2i4r s VAL 48 Ca -0.05 -0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2i4r s VAL 48 Cb 0.12 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 2i4r s VAL 48 CO 0.85 -0.02 -0.03 0.54 -3.33 0.00 0.00 175.10 173.11 2i4r s VAL 49 N -0.06 0.58 0.37 2.04 0.11 -0.75 -0.00 120.40 122.69 2i4r s VAL 49 Ca -0.03 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 2i4r s VAL 49 Cb -0.04 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 2i4r s VAL 49 CO 0.02 0.27 0.65 -0.63 -3.33 0.00 0.00 175.10 172.08 2i4r s ILE 50 N 1.53 4.97 0.26 7.04 1.01 0.12 -1.18 121.20 134.96 2i4r s ILE 50 Ca -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2i4r s ILE 50 Cb -0.13 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2i4r s ILE 50 CO -0.04 -0.54 0.58 -0.54 0.00 0.00 0.00 174.94 174.41 2i4r s LYS 52 N -4.05 3.79 0.22 2.79 1.02 -1.26 -0.79 119.74 121.46 2i4r s LYS 52 Ca 0.45 0.29 -0.08 0.00 0.02 0.00 0.00 55.97 56.65 2i4r s LYS 52 Cb -0.10 -2.61 0.19 0.00 -0.52 0.00 0.00 37.83 34.79 2i4r s LYS 52 CO 0.35 0.26 1.85 0.37 -0.92 0.00 0.00 175.35 177.26 2i4r h GLN 53 N 2.30 1.20 0.00 1.68 -0.00 -0.66 -2.82 115.11 116.81 2i4r h GLN 53 Ca -0.47 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.04 2i4r h GLN 53 Cb 1.17 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 28.42 2i4r h GLN 53 CO 0.68 0.88 0.00 -0.85 0.00 0.00 0.00 178.83 179.54 2i4r n GLU 54 N -4.37 0.23 -0.00 1.69 0.28 -1.26 -2.96 120.64 114.25 2i4r n GLU 54 Ca 0.09 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.18 2i4r n GLU 54 Cb 0.09 -1.05 -0.12 0.00 1.43 0.00 0.00 31.44 31.79 2i4r n GLU 54 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2i4r n TYR 55 N -0.55 0.00 -0.02 -1.84 0.53 -1.07 -4.56 117.16 109.64 2i4r n TYR 55 Ca 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.76 2i4r n TYR 55 Cb 0.00 -0.05 -0.09 0.00 -1.03 0.00 0.00 39.34 38.17 2i4r n TYR 55 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2i4r h LEU 56 N 0.00 0.10 -1.85 7.72 -0.00 -1.77 -3.08 115.31 116.42 2i4r h LEU 56 Ca 0.00 -0.46 0.19 0.00 -0.00 0.00 0.00 57.88 57.61 2i4r h LEU 56 Cb 0.52 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.12 2i4r h LEU 56 CO 0.00 0.54 0.51 0.07 -0.00 0.00 0.00 178.44 179.55 2i4r h LYS 57 N -0.34 0.13 0.00 1.13 2.10 -1.83 0.35 116.57 118.11 2i4r h LYS 57 Ca 0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2i4r h LYS 57 Cb 0.51 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 2i4r h LYS 57 CO 0.01 0.09 0.00 1.63 -2.00 0.00 0.00 179.45 179.17 2i4r n LYS 58 N -4.38 0.67 -4.09 0.07 5.02 -1.16 -4.79 118.16 109.49 2i4r n LYS 58 Ca 0.14 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 2i4r n LYS 58 Cb 0.70 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.13 2i4r n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2i4r s LEU 59 N -2.03 3.98 0.13 -0.35 1.43 0.12 -4.79 118.68 117.17 2i4r s LEU 59 Ca 0.32 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.38 2i4r s LEU 59 Cb 0.15 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 2i4r s LEU 59 CO 0.26 0.35 1.80 -2.65 0.23 0.00 0.00 176.35 176.35 2i4r n PRO 60 N 2.35 2.72 0.06 1.29 -0.02 -1.26 -4.54 135.00 135.60 2i4r n PRO 60 Ca -0.19 0.99 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 2i4r n PRO 60 Cb 0.54 -2.86 0.26 0.00 -0.02 0.00 0.00 33.50 31.42 2i4r n PRO 60 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2i4r h PRO 61 N 8.11 0.00 -0.23 0.52 0.11 -1.94 1.25 132.00 139.81 2i4r h PRO 61 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 2i4r h PRO 61 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2i4r h PRO 61 CO 0.94 0.00 -0.19 0.28 -0.21 0.00 0.00 178.00 178.82 2i4r h VAL 62 N 0.00 1.32 0.06 3.15 2.07 -1.93 -1.56 116.25 119.35 2i4r h VAL 62 Ca 0.24 -1.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.22 2i4r h VAL 62 Cb 2.38 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 33.83 2i4r h VAL 62 CO -0.00 0.41 -0.86 0.25 0.02 0.00 0.00 177.57 177.39 2i4r h LEU 63 N 0.24 0.65 -2.14 2.57 6.46 0.11 -1.89 115.31 121.32 2i4r h LEU 63 Ca 0.04 -0.82 0.03 0.00 -0.12 0.00 0.00 57.88 57.02 2i4r h LEU 63 Cb 0.73 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2i4r h LEU 63 CO 0.05 1.40 0.09 -0.09 -0.62 0.00 0.00 178.44 179.27 2i4r h ARG 64 N -0.02 0.00 -0.33 1.25 9.65 -0.99 0.19 114.38 124.14 2i4r h ARG 64 Ca -0.13 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 2i4r h ARG 64 Cb 1.58 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.13 2i4r h ARG 64 CO 0.17 0.00 0.01 0.54 2.80 0.00 0.00 179.97 183.49 2i4r n ARG 65 N -4.25 2.78 -0.09 0.20 3.00 -0.59 -4.14 116.66 113.57 2i4r n ARG 65 Ca -0.00 -2.94 -0.14 0.00 -0.01 0.00 0.00 57.85 54.76 2i4r n ARG 65 Cb 0.21 -1.88 -0.14 0.00 0.00 0.00 0.00 32.46 30.65 2i4r n ARG 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2i4r n GLU 66 N -0.60 0.68 -0.19 5.56 0.28 0.64 -3.43 120.64 123.56 2i4r n GLU 66 Ca 0.26 0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.39 2i4r n GLU 66 Cb 0.97 -1.56 0.11 0.00 1.43 0.00 0.00 31.44 32.39 2i4r n GLU 66 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2i4r n ILE 67 N -3.03 0.56 0.21 3.84 -5.35 -1.06 -3.51 119.36 111.03 2i4r n ILE 67 Ca -0.36 -0.37 -0.15 0.00 -0.27 0.00 0.00 62.75 61.61 2i4r n ILE 67 Cb 1.08 -0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.79 2i4r n ILE 67 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2i4r h ASP 68 N 1.29 -0.78 0.09 7.28 1.82 -1.72 -2.45 116.42 121.95 2i4r h ASP 68 Ca 0.00 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2i4r h ASP 68 Cb 0.61 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.88 2i4r h ASP 68 CO 0.07 -0.43 -0.04 -0.33 -1.61 0.00 0.00 179.24 176.90 2i4r h GLU 69 N -0.64 -0.12 -5.80 0.28 4.39 -1.81 -3.46 114.58 107.41 2i4r h GLU 69 Ca -0.02 0.01 -0.44 0.00 0.34 0.00 0.00 59.36 59.25 2i4r h GLU 69 Cb 0.57 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 2i4r h GLU 69 CO -0.04 -0.05 -0.68 1.63 -1.16 0.00 0.00 179.01 178.71 2i4r n LYS 70 N -5.13 -4.66 0.15 2.33 5.02 -0.93 -4.90 118.16 110.03 2i4r n LYS 70 Ca -0.08 0.59 -0.06 0.00 -2.02 0.00 0.00 58.31 56.74 2i4r n LYS 70 Cb 0.09 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 29.65 2i4r n LYS 70 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2i4r h VAL 71 N -1.61 0.00 -2.51 -0.18 -1.51 -1.90 -3.39 116.25 105.15 2i4r h VAL 71 Ca -0.53 -0.12 -0.09 0.00 -1.23 0.00 0.00 66.70 64.73 2i4r h VAL 71 Cb 1.35 0.00 -0.25 0.00 -2.13 0.00 0.00 31.29 30.26 2i4r h VAL 71 CO 0.62 0.00 -0.23 -1.61 -1.23 0.00 0.00 177.57 175.12 2i4r s GLU 72 N -3.31 0.47 0.83 5.19 2.02 -1.26 -4.57 118.70 118.06 2i4r s GLU 72 Ca -0.06 0.87 -0.12 0.00 0.02 0.00 0.00 54.97 55.69 2i4r s GLU 72 Cb 0.01 0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.35 2i4r s GLU 72 CO 0.17 -0.15 1.11 -1.25 0.02 0.00 0.00 175.26 175.16 2i4r s PRO 73 N 1.38 1.84 -0.01 0.39 0.04 -1.23 -5.00 135.00 132.42 2i4r s PRO 73 Ca -0.09 0.53 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 2i4r s PRO 73 Cb -0.07 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2i4r s PRO 73 CO -0.13 -1.76 0.50 0.99 0.04 0.00 0.00 177.00 176.63 2i4r s THR 74 N -3.20 4.97 -0.00 1.26 2.01 -0.59 -4.67 115.64 115.42 2i4r s THR 74 Ca 0.62 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 63.54 2i4r s THR 74 Cb -0.14 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 2i4r s THR 74 CO 0.54 0.48 0.33 -0.36 -0.69 0.00 0.00 174.62 174.92 2i4r s PHE 75 N -0.52 3.64 -0.26 4.92 0.40 -1.26 -1.80 117.98 123.09 2i4r s PHE 75 Ca 0.27 0.77 0.01 0.00 -0.60 0.00 0.00 56.93 57.38 2i4r s PHE 75 Cb -0.17 -2.13 0.07 0.00 0.51 0.00 0.00 43.02 41.30 2i4r s PHE 75 CO 0.15 0.63 -0.01 0.08 0.70 0.00 0.00 175.22 176.76 2i4r s VAL 76 N -1.19 1.57 -0.16 -0.44 1.01 -0.32 -4.94 120.40 115.93 2i4r s VAL 76 Ca 0.25 -1.45 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 2i4r s VAL 76 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 2i4r s VAL 76 CO 0.13 -0.28 0.31 -0.94 0.00 0.00 0.00 175.10 174.33 2i4r s SER 77 N 1.34 6.45 -0.30 3.32 1.04 -1.26 -4.37 113.70 119.91 2i4r s SER 77 Ca -0.01 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 2i4r s SER 77 Cb -0.19 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 2i4r s SER 77 CO -0.09 0.09 0.43 -0.69 0.98 0.00 0.00 173.24 173.95 2i4r s VAL 78 N 0.51 5.12 -2.00 5.02 1.01 -1.26 -4.74 120.40 124.05 2i4r s VAL 78 Ca 0.17 0.47 0.27 0.00 0.00 0.00 0.00 61.98 62.89 2i4r s VAL 78 Cb -0.13 -3.81 0.76 0.00 0.00 0.00 0.00 36.38 33.20 2i4r s VAL 78 CO 0.04 0.01 1.94 0.61 0.00 0.00 0.00 175.10 177.70