#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8d n LYS 5 N 0.00 1.01 0.00 0.03 4.81 -1.26 -4.98 118.16 117.77 2k8d n LYS 5 Ca 0.00 -2.89 0.00 0.00 -0.87 0.00 0.00 58.31 54.55 2k8d n LYS 5 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 2k8d n LYS 5 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2k8d n ASP 6 N 0.23 0.37 -4.58 3.14 9.92 -1.26 -4.97 116.55 119.40 2k8d n ASP 6 Ca 0.17 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.19 2k8d n ASP 6 Cb 0.70 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.09 2k8d n ASP 6 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2k8d s ARG 7 N 1.15 1.98 0.03 -1.24 3.52 -1.26 -0.25 118.95 122.87 2k8d s ARG 7 Ca 0.00 -1.70 0.02 0.00 -0.13 0.00 0.00 55.73 53.91 2k8d s ARG 7 Cb 0.00 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 2k8d s ARG 7 CO 0.00 0.24 -0.06 0.96 -0.81 0.00 0.00 175.30 175.63 2k8d s ILE 8 N -2.48 0.45 0.10 4.11 -4.36 0.26 -4.88 121.20 114.40 2k8d s ILE 8 Ca 0.32 -0.80 -0.30 0.00 -0.26 0.00 0.00 60.65 59.62 2k8d s ILE 8 Cb -0.03 -0.49 -0.06 0.00 1.25 0.00 0.00 42.46 43.14 2k8d s ILE 8 CO 0.18 -0.24 0.97 -2.16 0.24 0.00 0.00 174.94 173.92 2k8d s PRO 9 N -1.12 4.68 -0.39 0.37 0.04 -1.26 -0.63 135.00 136.68 2k8d s PRO 9 Ca -0.07 1.46 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2k8d s PRO 9 Cb -0.07 -3.38 0.11 0.00 0.04 0.00 0.00 34.50 31.19 2k8d s PRO 9 CO 0.00 0.18 0.17 0.42 0.04 0.00 0.00 177.00 177.81 2k8d s ILE 10 N 0.11 3.07 -0.24 0.56 -1.09 0.11 -4.15 121.20 119.57 2k8d s ILE 10 Ca 0.48 -2.11 -0.10 0.00 -2.23 0.00 0.00 60.65 56.68 2k8d s ILE 10 Cb -0.23 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 2k8d s ILE 10 CO 0.30 -0.67 0.16 0.12 -1.23 0.00 0.00 174.94 173.62 2k8d s PHE 11 N 1.09 3.29 -0.88 3.97 5.36 -1.26 -1.01 117.98 128.54 2k8d s PHE 11 Ca 0.09 0.18 -0.11 0.00 -0.96 0.00 0.00 56.93 56.12 2k8d s PHE 11 Cb -0.22 -2.28 0.23 0.00 -0.34 0.00 0.00 43.02 40.41 2k8d s PHE 11 CO -0.05 0.01 0.82 -1.12 -1.46 0.00 0.00 175.22 173.43 2k8d s SER 12 N 1.17 6.71 0.30 6.13 0.01 0.12 -4.77 113.70 123.38 2k8d s SER 12 Ca 0.07 -2.99 0.04 0.00 1.31 0.00 0.00 55.95 54.38 2k8d s SER 12 Cb -0.14 -2.16 0.64 0.00 0.21 0.00 0.00 66.02 64.58 2k8d s SER 12 CO 0.05 -0.46 1.84 1.62 0.41 0.00 0.00 173.24 176.70 2k8d h VAL 13 N 4.51 0.87 -0.41 3.43 3.04 -1.88 0.71 116.25 126.51 2k8d h VAL 13 Ca 0.12 -0.31 0.12 0.00 -1.01 0.00 0.00 66.70 65.62 2k8d h VAL 13 Cb 0.98 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 2k8d h VAL 13 CO 0.82 0.16 0.46 0.00 -1.01 0.00 0.00 177.57 178.00 2k8d h ALA 14 N 1.57 2.11 0.00 3.17 0.00 -1.91 0.54 119.26 124.74 2k8d h ALA 14 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2k8d h ALA 14 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k8d h ALA 14 CO -0.27 -0.67 0.00 1.63 0.00 0.00 0.00 179.25 179.94 2k8d n LYS 15 N -3.67 1.41 -3.79 0.00 5.02 -0.70 -5.03 118.16 111.39 2k8d n LYS 15 Ca 0.07 -1.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.08 2k8d n LYS 15 Cb 0.63 -0.88 0.01 0.00 -0.02 0.00 0.00 35.03 34.77 2k8d n LYS 15 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k8d n ASN 16 N -0.27 -2.89 -4.76 4.39 5.15 0.18 -5.00 115.26 112.05 2k8d n ASN 16 Ca 0.00 -0.82 -0.22 0.00 -0.60 0.00 0.00 54.58 52.94 2k8d n ASN 16 Cb 0.24 -1.06 -0.06 0.00 -0.53 0.00 0.00 39.78 38.37 2k8d n ASN 16 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k8d s ARG 17 N -5.87 2.50 0.02 1.20 0.52 -0.15 -4.95 118.95 112.23 2k8d s ARG 17 Ca 0.23 -1.43 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 2k8d s ARG 17 Cb -0.13 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 2k8d s ARG 17 CO 0.64 0.15 -0.08 0.54 0.02 0.00 0.00 175.30 176.57 2k8d s VAL 18 N -2.36 0.60 0.17 3.52 0.11 -1.26 -0.70 120.40 120.47 2k8d s VAL 18 Ca 0.38 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 2k8d s VAL 18 Cb -0.04 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2k8d s VAL 18 CO 0.24 -0.10 0.04 -1.83 -3.33 0.00 0.00 175.10 170.12 2k8d s GLU 19 N -0.87 1.09 -0.16 1.54 -1.05 -0.18 -5.00 118.70 114.07 2k8d s GLU 19 Ca -0.03 -1.53 -0.00 0.00 -0.15 0.00 0.00 54.97 53.26 2k8d s GLU 19 Cb -0.06 -0.08 0.03 0.00 -0.44 0.00 0.00 34.13 33.59 2k8d s GLU 19 CO 0.00 -0.20 -0.08 1.41 0.95 0.00 0.00 175.26 177.34 2k8d s MET 20 N -3.98 1.69 -0.02 -4.83 1.75 -1.26 0.08 119.30 112.73 2k8d s MET 20 Ca 0.26 -0.52 0.05 0.00 -1.25 0.00 0.00 55.69 54.23 2k8d s MET 20 Cb 0.07 -1.99 -0.01 0.00 2.84 0.00 0.00 34.83 35.73 2k8d s MET 20 CO 0.05 -0.36 -0.17 0.08 -0.65 0.00 0.00 175.02 173.96 2k8d s VAL 21 N 1.59 1.36 0.23 10.11 1.01 0.20 -4.90 120.40 129.99 2k8d s VAL 21 Ca 0.02 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2k8d s VAL 21 Cb -0.14 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 2k8d s VAL 21 CO -0.08 0.39 0.59 -1.83 0.00 0.00 0.00 175.10 174.16 2k8d s GLU 22 N -0.32 3.89 0.48 2.72 1.03 -1.26 -0.58 118.70 124.67 2k8d s GLU 22 Ca 0.05 0.42 -0.23 0.00 0.03 0.00 0.00 54.97 55.23 2k8d s GLU 22 Cb -0.07 -2.66 -0.07 0.00 -0.80 0.00 0.00 34.13 30.53 2k8d s GLU 22 CO -0.00 0.32 1.23 0.50 -1.33 0.00 0.00 175.26 175.97 2k8d s ARG 23 N -2.66 3.59 -0.09 -4.83 6.06 0.65 -4.85 118.95 116.83 2k8d s ARG 23 Ca 0.47 1.93 -0.29 0.00 -2.50 0.00 0.00 55.73 55.33 2k8d s ARG 23 Cb -0.12 -2.38 -0.05 0.00 0.06 0.00 0.00 34.95 32.46 2k8d s ARG 23 CO 0.20 -0.73 1.67 -1.50 -2.50 0.00 0.00 175.30 172.44 2k8d s ILE 24 N -1.46 3.58 -0.27 4.11 -1.16 -1.26 -4.87 121.20 119.87 2k8d s ILE 24 Ca 0.65 0.69 -0.03 0.00 -0.51 0.00 0.00 60.65 61.45 2k8d s ILE 24 Cb -0.32 -3.48 0.09 0.00 0.61 0.00 0.00 42.46 39.36 2k8d s ILE 24 CO 0.39 -0.10 0.11 -1.83 -2.81 0.00 0.00 174.94 170.70 2k8d s GLU 25 N 4.22 0.33 0.37 3.50 -1.05 -1.26 -5.07 118.70 119.74 2k8d s GLU 25 Ca 0.74 -0.60 0.05 0.00 -0.15 0.00 0.00 54.97 55.01 2k8d s GLU 25 Cb -0.32 -1.49 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 2k8d s GLU 25 CO 0.30 -0.95 0.18 -0.51 0.95 0.00 0.00 175.26 175.23 2k8d s LEU 26 N 1.97 1.86 0.00 1.83 1.43 -1.26 -5.11 118.68 119.40 2k8d s LEU 26 Ca 0.08 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 2k8d s LEU 26 Cb -0.16 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2k8d s LEU 26 CO -0.29 -0.97 0.00 -0.24 0.23 0.00 0.00 176.35 175.08 2k8d n SER 27 N -1.32 0.00 0.00 2.29 2.88 -1.26 -5.12 113.62 111.09 2k8d n SER 27 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2k8d n SER 27 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 2k8d n SER 27 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k8d n ASP 28 N 0.00 0.00 0.00 -3.46 2.03 -1.26 -4.96 116.55 108.90 2k8d n ASP 28 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2k8d n ASP 28 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 2k8d n ASP 28 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2k8d n ASP 29 N 0.00 0.00 -0.15 1.67 2.03 -1.26 -4.15 116.55 114.69 2k8d n ASP 29 Ca 0.00 -0.21 -0.08 0.00 0.52 0.00 0.00 54.79 55.02 2k8d n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k8d n ASP 29 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k8d h GLU 30 N 0.00 0.66 -2.29 -0.67 5.08 -1.99 -2.93 114.58 112.44 2k8d h GLU 30 Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2k8d h GLU 30 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2k8d h GLU 30 CO 0.00 0.58 0.06 0.91 -1.00 0.00 0.00 179.01 179.56 2k8d n TRP 31 N -4.63 0.00 0.00 4.33 7.02 -1.26 -1.07 117.44 121.84 2k8d n TRP 31 Ca 0.01 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.95 2k8d n TRP 31 Cb 0.13 -0.64 0.00 0.00 -2.42 0.00 0.00 31.31 28.38 2k8d n TRP 31 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2k8d n ARG 32 N 2.29 0.00 0.15 -0.99 0.00 -1.11 -4.79 116.66 112.20 2k8d n ARG 32 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.96 2k8d n ARG 32 Cb 0.31 -0.05 0.16 0.00 -0.00 0.00 0.00 32.46 32.88 2k8d n ARG 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2k8d h GLU 33 N 0.00 0.00 -0.42 2.89 4.11 -1.38 -3.14 114.58 116.64 2k8d h GLU 33 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 2k8d h GLU 33 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 2k8d h GLU 33 CO 0.00 0.55 0.03 0.44 0.07 0.00 0.00 179.01 180.09 2k8d n ILE 34 N -3.48 2.60 -4.44 -1.06 -5.35 -0.23 -5.01 119.36 102.39 2k8d n ILE 34 Ca 0.00 -2.50 -0.26 0.00 -0.27 0.00 0.00 62.75 59.72 2k8d n ILE 34 Cb 0.65 -0.33 -0.10 0.00 -1.74 0.00 0.00 39.64 38.12 2k8d n ILE 34 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k8d s LEU 35 N -3.19 2.90 0.55 7.28 1.43 -1.19 -4.95 118.68 121.51 2k8d s LEU 35 Ca 0.46 -1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.20 2k8d s LEU 35 Cb 0.41 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 45.43 2k8d s LEU 35 CO 0.03 -0.31 1.34 -1.81 0.23 0.00 0.00 176.35 175.83 2k8d s ASP 36 N -3.70 5.27 0.00 2.29 1.11 -1.26 -4.90 116.67 115.47 2k8d s ASP 36 Ca 0.35 2.71 0.11 0.00 0.18 0.00 0.00 52.55 55.90 2k8d s ASP 36 Cb 0.03 -2.63 0.46 0.00 1.07 0.00 0.00 42.92 41.85 2k8d s ASP 36 CO 0.18 -1.56 1.33 -0.81 1.18 0.00 0.00 175.17 175.49 2k8d n PRO 37 N -1.08 0.01 -0.05 8.23 -0.04 -1.26 -1.16 135.00 139.65 2k8d n PRO 37 Ca 0.11 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2k8d n PRO 37 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 2k8d n PRO 37 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k8d h GLU 38 N 0.00 -0.02 -0.83 0.54 4.81 -2.00 -3.31 114.58 113.78 2k8d h GLU 38 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2k8d h GLU 38 Cb 0.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2k8d h GLU 38 CO 0.00 0.75 0.54 0.00 -0.73 0.00 0.00 179.01 179.58 2k8d h ALA 39 N -0.13 1.50 -0.18 2.92 0.00 -1.50 0.37 119.26 122.24 2k8d h ALA 39 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2k8d h ALA 39 Cb 0.77 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2k8d h ALA 39 CO 0.00 0.41 -0.22 0.35 0.00 0.00 0.00 179.25 179.80 2k8d h PHE 40 N 1.01 -0.57 0.04 0.00 3.57 -1.48 0.03 116.94 119.54 2k8d h PHE 40 Ca 0.33 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.72 2k8d h PHE 40 Cb 0.05 0.28 0.01 0.00 2.79 0.00 0.00 35.95 39.09 2k8d h PHE 40 CO -0.00 -0.30 -0.58 0.07 -2.23 0.00 0.00 178.31 175.27 2k8d h ARG 41 N -0.25 0.32 -0.67 1.11 0.11 -1.36 -3.26 114.38 110.38 2k8d h ARG 41 Ca 0.12 -0.40 0.18 0.00 0.10 0.00 0.00 59.98 59.97 2k8d h ARG 41 Cb 0.43 0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 2k8d h ARG 41 CO -0.33 1.11 0.47 0.28 0.10 0.00 0.00 179.97 181.60 2k8d h VAL 42 N -0.28 0.71 0.00 0.08 2.07 -0.23 0.23 116.25 118.83 2k8d h VAL 42 Ca -0.08 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2k8d h VAL 42 Cb 1.35 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2k8d h VAL 42 CO 0.11 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2k8d h ALA 43 N 1.67 1.00 0.00 1.67 0.00 -1.02 0.31 119.26 122.89 2k8d h ALA 43 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.89 2k8d h ALA 43 Cb 1.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2k8d h ALA 43 CO -0.04 0.00 -2.28 2.89 0.00 0.00 0.00 179.25 179.82 2k8d n ARG 44 N -2.82 0.72 -0.10 0.00 1.85 0.78 -4.61 116.66 112.49 2k8d n ARG 44 Ca -0.01 0.09 0.12 0.00 -1.00 0.00 0.00 57.85 57.05 2k8d n ARG 44 Cb 0.16 -1.46 0.24 0.00 -1.05 0.00 0.00 32.46 30.35 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2k8d n LYS 45 N -3.02 2.25 -0.96 2.89 2.85 -0.95 -4.96 118.16 116.26 2k8d n LYS 45 Ca -0.37 -1.86 -0.05 0.00 -1.05 0.00 0.00 58.31 54.97 2k8d n LYS 45 Cb 0.98 -1.48 -0.02 0.00 -0.65 0.00 0.00 35.03 33.86 2k8d n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k8d n ALA 46 N 1.14 -0.08 0.00 0.58 0.00 0.09 -3.86 120.51 118.38 2k8d n ALA 46 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2k8d n ALA 46 Cb 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.78 2k8d n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8d n GLY 47 N 0.32 -0.24 2.93 0.00 0.00 -1.19 -3.67 105.19 103.34 2k8d n GLY 47 Ca -0.05 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2k8d n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 48 N 0.00 1.04 0.06 2.61 2.01 -1.25 -4.51 115.64 115.59 2k8d s THR 48 Ca 0.00 -0.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 2k8d s THR 48 Cb 0.00 -1.03 -0.15 0.00 0.01 0.00 0.00 72.50 71.33 2k8d s THR 48 CO 0.00 0.36 1.46 -0.33 -0.69 0.00 0.00 174.62 175.42 2k8d h GLU 49 N 7.84 -0.92 -7.54 4.92 5.08 -1.99 -3.43 114.58 118.55 2k8d h GLU 49 Ca -0.30 0.06 -0.45 0.00 -1.00 0.00 0.00 59.36 57.67 2k8d h GLU 49 Cb 1.15 0.21 0.14 0.00 0.50 0.00 0.00 28.75 30.74 2k8d h GLU 49 CO 0.43 -0.61 0.31 -1.25 -1.00 0.00 0.00 179.01 176.88 2k8d s PRO 50 N -5.38 0.85 1.14 2.33 0.04 -1.26 -5.08 135.00 127.65 2k8d s PRO 50 Ca -0.15 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 60.89 2k8d s PRO 50 Cb 0.03 -1.82 0.27 0.00 0.04 0.00 0.00 34.50 33.02 2k8d s PRO 50 CO 0.49 -2.36 1.04 -1.25 0.04 0.00 0.00 177.00 174.96 2k8d s PRO 51 N -5.40 -0.74 0.19 0.56 0.04 -1.26 -5.08 135.00 123.30 2k8d s PRO 51 Ca 0.66 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.33 2k8d s PRO 51 Cb -0.12 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2k8d s PRO 51 CO 0.53 -3.56 0.14 0.12 0.04 0.00 0.00 177.00 174.28 2k8d s PHE 52 N -2.61 1.00 0.04 0.56 5.36 -1.26 -5.08 117.98 115.99 2k8d s PHE 52 Ca 0.68 -1.28 -0.05 0.00 -0.96 0.00 0.00 56.93 55.32 2k8d s PHE 52 Cb -0.22 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 41.97 2k8d s PHE 52 CO 0.62 -0.64 0.09 0.99 -1.46 0.00 0.00 175.22 174.83 2k8d s THR 53 N -4.12 0.14 0.00 0.12 2.01 -1.26 -5.05 115.64 107.48 2k8d s THR 53 Ca 0.33 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 61.19 2k8d s THR 53 Cb 0.06 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2k8d s THR 53 CO 0.09 -0.63 0.75 0.61 -0.69 0.00 0.00 174.62 174.74 2k8d n GLY 54 N 0.67 1.25 0.39 4.40 0.00 -1.26 -4.56 105.19 106.08 2k8d n GLY 54 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.00 2k8d n GLY 54 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k8d h LYS 55 N 1.73 0.50 -0.13 1.61 3.11 -2.02 -2.33 116.57 119.04 2k8d h LYS 55 Ca 0.00 -0.03 -0.22 0.00 -2.81 0.00 0.00 60.65 57.59 2k8d h LYS 55 Cb 0.50 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.63 2k8d h LYS 55 CO 0.00 0.33 -0.80 1.88 -2.81 0.00 0.00 179.45 178.06 2k8d h TYR 56 N 0.52 1.02 -1.59 1.91 -1.99 -2.06 -3.46 116.97 111.31 2k8d h TYR 56 Ca 0.48 -0.46 0.10 0.00 2.00 0.00 0.00 58.73 60.85 2k8d h TYR 56 Cb 1.04 -0.15 -0.26 0.00 2.00 0.00 0.00 36.73 39.35 2k8d h TYR 56 CO -0.00 1.29 0.36 -3.38 -0.00 0.00 0.00 178.16 176.42 2k8d s HIS 57 N -3.70 -0.61 -0.46 4.88 -3.43 -0.88 -5.08 115.29 106.02 2k8d s HIS 57 Ca -0.10 1.24 0.06 0.00 -0.80 0.00 0.00 55.06 55.47 2k8d s HIS 57 Cb 0.09 0.38 0.18 0.00 -1.43 0.00 0.00 32.58 31.79 2k8d s HIS 57 CO 0.90 -0.30 0.61 0.34 -2.00 0.00 0.00 174.74 174.29 2k8d s ASP 58 N 1.21 -0.72 0.00 7.38 2.15 -1.25 -4.87 116.67 120.58 2k8d s ASP 58 Ca -0.07 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.19 2k8d s ASP 58 Cb -0.04 1.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.98 2k8d s ASP 58 CO -0.14 -0.12 0.00 0.00 -0.17 0.00 0.00 175.17 174.74 2k8d n LEU 59 N 3.40 0.00 -3.82 -1.34 -0.00 -1.26 -5.06 117.00 108.92 2k8d n LEU 59 Ca 0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.10 2k8d n LEU 59 Cb 0.54 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.97 2k8d n LEU 59 CO 0.01 0.00 0.53 -2.28 -0.00 0.00 0.00 177.39 175.66 2k8d s HIS 60 N -1.00 0.07 -1.40 1.47 5.04 -1.26 -5.08 115.29 113.12 2k8d s HIS 60 Ca 0.00 -0.70 -0.08 0.00 -1.54 0.00 0.00 55.06 52.74 2k8d s HIS 60 Cb 0.00 0.82 0.07 0.00 0.04 0.00 0.00 32.58 33.51 2k8d s HIS 60 CO 0.00 -1.50 2.39 -0.25 -2.34 0.00 0.00 174.74 173.05 2k8d n ASP 61 N -1.25 7.13 -4.16 9.88 9.92 -1.26 -4.87 116.55 131.95 2k8d n ASP 61 Ca -0.08 -2.97 -0.10 0.00 -0.53 0.00 0.00 54.79 51.11 2k8d n ASP 61 Cb 0.60 -1.46 -0.10 0.00 -0.64 0.00 0.00 41.12 39.51 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k8d s ASP 62 N 1.19 1.06 0.00 -2.24 2.15 -1.26 -4.99 116.67 112.58 2k8d s ASP 62 Ca 0.54 -1.00 0.00 0.00 0.43 0.00 0.00 52.55 52.51 2k8d s ASP 62 Cb 0.16 0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.89 2k8d s ASP 62 CO -0.06 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 2k8d n GLY 63 N -0.02 2.34 3.24 2.66 0.00 -1.26 -4.92 105.19 107.23 2k8d n GLY 63 Ca -0.12 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.92 2k8d n GLY 63 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8d s ILE 64 N -2.46 0.00 -0.43 -0.61 -4.36 -0.00 -3.17 121.20 110.16 2k8d s ILE 64 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 2k8d s ILE 64 Cb 0.00 -2.50 0.04 0.00 1.25 0.00 0.00 42.46 41.25 2k8d s ILE 64 CO 0.00 0.00 0.34 -0.31 0.24 0.00 0.00 174.94 175.21 2k8d s TYR 65 N -3.80 3.24 -0.03 1.37 1.51 0.47 -0.89 117.35 119.22 2k8d s TYR 65 Ca 0.40 -0.69 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 2k8d s TYR 65 Cb 0.05 -2.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.03 2k8d s TYR 65 CO 0.20 -0.67 1.48 1.03 -1.11 0.00 0.00 175.55 176.48 2k8d s ARG 66 N 1.70 4.24 -0.92 -0.62 1.81 0.78 -0.96 118.95 124.97 2k8d s ARG 66 Ca 0.05 2.03 -0.24 0.00 -1.72 0.00 0.00 55.73 55.85 2k8d s ARG 66 Cb -0.21 -3.72 -0.02 0.00 -0.45 0.00 0.00 34.95 30.55 2k8d s ARG 66 CO 0.09 -0.69 1.83 0.00 -0.68 0.00 0.00 175.30 175.85 2k8d h ILE 68 N 7.14 0.17 0.00 0.00 2.10 -1.44 -0.50 117.51 124.97 2k8d h ILE 68 Ca 0.11 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2k8d h ILE 68 Cb 1.01 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 38.03 2k8d h ILE 68 CO 1.26 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 178.37 2k8d n GLY 71 N 0.00 -0.75 3.59 0.00 0.00 -0.27 -5.02 105.19 102.74 2k8d n GLY 71 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2k8d n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s THR 72 N -3.47 0.00 0.00 2.61 2.01 -0.88 -5.02 115.64 110.89 2k8d s THR 72 Ca 0.25 -1.40 0.03 0.00 0.31 0.00 0.00 61.69 60.88 2k8d s THR 72 Cb -0.05 -2.74 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 2k8d s THR 72 CO 0.78 0.00 -0.10 -1.81 -0.69 0.00 0.00 174.62 172.80 2k8d s ASP 73 N -3.19 1.18 0.00 3.53 1.11 -1.26 0.55 116.67 118.58 2k8d s ASP 73 Ca 0.26 -0.23 0.00 0.00 0.18 0.00 0.00 52.55 52.76 2k8d s ASP 73 Cb -0.02 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.86 2k8d s ASP 73 CO 0.18 0.09 0.00 0.00 1.18 0.00 0.00 175.17 176.62 2k8d n LEU 74 N 2.65 0.00 -4.57 1.23 -0.00 -0.14 -4.69 117.00 111.47 2k8d n LEU 74 Ca -0.15 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.50 2k8d n LEU 74 Cb 0.56 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 44.05 2k8d n LEU 74 CO 0.24 0.00 0.41 0.49 -0.00 0.00 0.00 177.39 178.53 2k8d n PHE 75 N -0.05 0.33 -4.27 1.47 3.72 -1.25 -4.70 117.46 112.72 2k8d n PHE 75 Ca 0.00 0.41 -0.22 0.00 -0.05 0.00 0.00 57.45 57.58 2k8d n PHE 75 Cb 0.00 -2.06 -0.12 0.00 -0.94 0.00 0.00 39.48 36.36 2k8d n PHE 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k8d s ASP 76 N -1.42 2.37 0.62 4.37 -1.08 -1.26 -0.39 116.67 119.88 2k8d s ASP 76 Ca 0.73 -0.70 0.36 0.00 -0.52 0.00 0.00 52.55 52.42 2k8d s ASP 76 Cb -0.38 -0.12 2.08 0.00 -1.46 0.00 0.00 42.92 43.04 2k8d s ASP 76 CO 0.50 0.01 2.31 -1.28 0.52 0.00 0.00 175.17 177.23 2k8d h SER 77 N 4.01 0.00 0.05 -0.34 0.87 -1.88 -2.64 113.55 113.62 2k8d h SER 77 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2k8d h SER 77 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2k8d h SER 77 CO 0.41 0.00 0.00 1.05 -0.53 0.00 0.00 176.83 177.76 2k8d h GLU 78 N 0.00 0.00 -0.00 2.24 4.11 -1.94 -1.94 114.58 117.05 2k8d h GLU 78 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k8d h GLU 78 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k8d h GLU 78 CO -0.00 0.00 -0.01 -2.37 0.07 0.00 0.00 179.01 176.70 2k8d n THR 79 N -3.03 0.00 -3.19 -1.06 5.66 -1.01 -4.96 114.28 106.69 2k8d n THR 79 Ca -0.03 -0.50 -0.46 0.00 -3.05 0.00 0.00 64.05 60.02 2k8d n THR 79 Cb 0.08 1.01 -0.03 0.00 -1.55 0.00 0.00 70.33 69.83 2k8d n THR 79 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2k8d s LYS 80 N -0.41 3.35 0.13 1.09 2.36 -0.73 -3.86 119.74 121.67 2k8d s LYS 80 Ca 0.00 -1.89 -0.31 0.00 -2.55 0.00 0.00 55.97 51.22 2k8d s LYS 80 Cb 0.00 -4.45 -0.10 0.00 -1.05 0.00 0.00 37.83 32.23 2k8d s LYS 80 CO 0.01 -1.46 1.67 -0.06 1.55 0.00 0.00 175.35 177.06 2k8d s PHE 81 N 1.58 2.64 0.33 4.03 0.40 -1.26 -4.77 117.98 120.94 2k8d s PHE 81 Ca 0.17 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2k8d s PHE 81 Cb -0.16 -4.02 0.00 0.00 0.51 0.00 0.00 43.02 39.35 2k8d s PHE 81 CO -0.03 -3.97 0.00 -3.47 0.70 0.00 0.00 175.22 168.45 2k8d n ASP 82 N 4.88 -1.54 -4.50 1.36 2.03 -1.26 -3.29 116.55 114.23 2k8d n ASP 82 Ca 0.16 0.60 -0.50 0.00 0.52 0.00 0.00 54.79 55.56 2k8d n ASP 82 Cb 0.39 1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 42.31 2k8d n ASP 82 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k8d n SER 83 N -3.39 2.37 0.00 1.67 7.64 -1.26 -2.12 113.62 118.53 2k8d n SER 83 Ca 0.00 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2k8d n SER 83 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2k8d n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k8d n GLY 84 N 6.09 0.64 0.00 0.23 0.00 -1.26 -4.42 105.19 106.48 2k8d n GLY 84 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2k8d n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8d n THR 85 N 0.00 0.00 -4.04 2.61 -1.04 -1.24 -4.97 114.28 105.60 2k8d n THR 85 Ca 0.00 0.40 -0.30 0.00 -2.04 0.00 0.00 64.05 62.11 2k8d n THR 85 Cb 0.00 -1.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.27 2k8d n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k8d n GLY 86 N 2.06 -0.34 3.88 3.41 0.00 -0.90 -4.88 105.19 108.42 2k8d n GLY 86 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2k8d n GLY 86 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k8d s TRP 87 N -3.63 3.50 -1.24 1.61 -0.00 -1.26 -4.91 118.94 113.02 2k8d s TRP 87 Ca 0.35 0.77 -0.16 0.00 -0.00 0.00 0.00 56.10 57.06 2k8d s TRP 87 Cb -0.19 -2.16 -0.04 0.00 -0.00 0.00 0.00 33.47 31.09 2k8d s TRP 87 CO 0.89 0.41 2.20 -0.35 -0.00 0.00 0.00 176.95 180.10 2k8d n PRO 88 N 0.33 2.48 -4.00 5.86 -0.04 -1.26 -4.80 135.00 133.56 2k8d n PRO 88 Ca -0.03 -2.27 -0.10 0.00 -0.04 0.00 0.00 63.50 61.05 2k8d n PRO 88 Cb 0.52 -3.09 -0.11 0.00 -0.04 0.00 0.00 33.50 30.78 2k8d n PRO 88 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k8d s SER 89 N 3.66 0.40 0.25 3.54 1.04 -1.26 -2.75 113.70 118.58 2k8d s SER 89 Ca 0.52 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.47 2k8d s SER 89 Cb 0.14 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 2k8d s SER 89 CO -0.02 -0.28 0.00 -0.36 0.98 0.00 0.00 173.24 173.56 2k8d s PHE 90 N -1.48 1.67 0.00 5.02 0.40 0.43 -4.37 117.98 119.66 2k8d s PHE 90 Ca -0.14 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2k8d s PHE 90 Cb -0.10 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2k8d s PHE 90 CO -0.01 0.00 0.00 2.48 0.70 0.00 0.00 175.22 178.40 2k8d n TYR 91 N -0.48 0.00 -4.23 0.36 0.18 -1.25 -0.44 117.16 111.31 2k8d n TYR 91 Ca -0.05 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.57 2k8d n TYR 91 Cb 0.64 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.52 2k8d n TYR 91 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2k8d s ASP 92 N -1.35 1.07 0.05 9.48 1.01 -1.26 -4.62 116.67 121.05 2k8d s ASP 92 Ca 0.00 -1.59 -0.08 0.00 0.71 0.00 0.00 52.55 51.59 2k8d s ASP 92 Cb 0.00 0.52 -0.00 0.00 1.01 0.00 0.00 42.92 44.44 2k8d s ASP 92 CO 0.00 -1.03 0.15 0.54 0.21 0.00 0.00 175.17 175.05 2k8d s VAL 93 N -3.63 0.13 0.34 -1.27 0.11 -1.26 -4.84 120.40 109.97 2k8d s VAL 93 Ca 0.39 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 2k8d s VAL 93 Cb 0.03 -1.00 0.24 0.00 -1.53 0.00 0.00 36.38 34.12 2k8d s VAL 93 CO 0.22 -0.58 1.97 1.62 -3.33 0.00 0.00 175.10 175.00 2k8d h VAL 94 N 3.40 1.18 0.00 2.04 3.04 -1.96 -3.48 116.25 120.46 2k8d h VAL 94 Ca -0.33 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.94 2k8d h VAL 94 Cb 1.19 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2k8d h VAL 94 CO 0.51 0.19 0.00 -1.20 -1.01 0.00 0.00 177.57 176.06 2k8d n SER 95 N -4.40 0.00 -2.35 3.17 7.64 -1.26 -4.88 113.62 111.54 2k8d n SER 95 Ca 0.06 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.79 2k8d n SER 95 Cb 0.09 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2k8d n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k8d n GLU 96 N -1.99 1.88 -0.10 1.43 4.71 -1.26 -4.29 120.64 121.03 2k8d n GLU 96 Ca 0.00 -1.02 -0.21 0.00 -0.01 0.00 0.00 57.16 55.92 2k8d n GLU 96 Cb 0.00 -2.06 -0.07 0.00 -1.01 0.00 0.00 31.44 28.30 2k8d n GLU 96 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2k8d n HIS 97 N 2.88 0.00 -1.47 -0.32 1.44 -1.26 -4.62 115.22 111.87 2k8d n HIS 97 Ca 0.40 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.18 2k8d n HIS 97 Cb 0.61 -0.72 0.12 0.00 0.12 0.00 0.00 29.99 30.12 2k8d n HIS 97 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 2k8d n ASN 98 N -3.82 1.67 -3.97 4.39 5.15 -1.26 -4.52 115.26 112.90 2k8d n ASN 98 Ca -0.39 -2.98 -0.26 0.00 -0.60 0.00 0.00 54.58 50.35 2k8d n ASN 98 Cb 0.79 -0.40 -0.17 0.00 -0.53 0.00 0.00 39.78 39.47 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2k8d s ILE 99 N -2.20 1.09 0.05 -1.44 -1.16 -1.26 -1.44 121.20 114.85 2k8d s ILE 99 Ca 0.28 -0.40 0.01 0.00 -0.51 0.00 0.00 60.65 60.03 2k8d s ILE 99 Cb 0.26 -1.05 -0.04 0.00 0.61 0.00 0.00 42.46 42.24 2k8d s ILE 99 CO -0.01 0.36 0.12 -0.75 -2.81 0.00 0.00 174.94 171.85 2k8d s LYS 100 N 1.13 3.10 0.12 3.50 2.36 0.10 -4.32 119.74 125.73 2k8d s LYS 100 Ca -0.06 -0.56 0.02 0.00 -2.55 0.00 0.00 55.97 52.82 2k8d s LYS 100 Cb -0.14 -2.86 -0.04 0.00 -1.05 0.00 0.00 37.83 33.74 2k8d s LYS 100 CO -0.02 0.60 -0.07 -0.51 1.55 0.00 0.00 175.35 176.90 2k8d s LEU 101 N -2.28 2.46 -0.05 5.43 1.02 -1.26 -1.86 118.68 122.15 2k8d s LEU 101 Ca 0.30 -1.03 0.01 0.00 0.02 0.00 0.00 54.13 53.43 2k8d s LEU 101 Cb -0.12 -0.14 0.02 0.00 0.02 0.00 0.00 46.19 45.97 2k8d s LEU 101 CO 0.22 -0.45 -0.06 -0.13 0.02 0.00 0.00 176.35 175.96 2k8d s ARG 102 N -3.82 0.95 0.35 1.70 3.00 -1.25 -4.97 118.95 114.91 2k8d s ARG 102 Ca 0.15 -0.16 -0.28 0.00 0.00 0.00 0.00 55.73 55.44 2k8d s ARG 102 Cb 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 34.95 33.99 2k8d s ARG 102 CO -0.02 -0.05 1.32 -2.00 0.00 0.00 0.00 175.30 174.54 2k8d s GLU 103 N 0.83 4.24 0.24 3.54 -6.30 -1.26 -0.87 118.70 119.12 2k8d s GLU 103 Ca -0.12 2.23 -0.02 0.00 -2.50 0.00 0.00 54.97 54.56 2k8d s GLU 103 Cb -0.14 -2.99 -0.03 0.00 0.00 0.00 0.00 34.13 30.97 2k8d s GLU 103 CO 0.01 -0.29 0.24 0.34 0.02 0.00 0.00 175.26 175.58 2k8d s ASP 104 N -0.52 0.37 -0.05 -1.70 -1.08 -1.24 -4.88 116.67 107.57 2k8d s ASP 104 Ca 0.51 -1.36 0.08 0.00 -0.52 0.00 0.00 52.55 51.25 2k8d s ASP 104 Cb -0.40 0.46 0.12 0.00 -1.46 0.00 0.00 42.92 41.64 2k8d s ASP 104 CO 0.53 -0.96 1.03 -2.11 0.52 0.00 0.00 175.17 174.19 2k8d n ARG 105 N -0.36 0.68 -0.30 4.34 1.85 -1.26 0.04 116.66 121.65 2k8d n ARG 105 Ca 0.02 -1.65 0.09 0.00 -1.00 0.00 0.00 57.85 55.31 2k8d n ARG 105 Cb 0.64 -0.94 0.31 0.00 -1.05 0.00 0.00 32.46 31.43 2k8d n ARG 105 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k8d h SER 106 N 0.00 0.78 0.66 2.89 0.87 -1.83 0.12 113.55 117.04 2k8d h SER 106 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2k8d h SER 106 Cb 1.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2k8d h SER 106 CO 0.00 0.42 0.00 0.00 -0.53 0.00 0.00 176.83 176.72 2k8d n LEU 107 N -4.58 0.00 0.00 2.23 -0.00 -1.26 -4.85 117.00 108.55 2k8d n LEU 107 Ca 0.17 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 2k8d n LEU 107 Cb 0.40 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2k8d n LEU 107 CO 0.29 -0.09 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 2k8d n GLY 108 N 0.81 0.83 0.00 1.47 0.00 0.40 -5.01 105.19 103.69 2k8d n GLY 108 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k8d n GLY 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8d n MET 109 N -1.48 0.00 -3.47 1.61 2.81 -1.08 -5.10 117.12 110.41 2k8d n MET 109 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 2k8d n MET 109 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.39 2k8d n MET 109 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2k8d s VAL 110 N 0.92 -0.26 -0.71 2.03 1.01 -1.26 -4.35 120.40 117.78 2k8d s VAL 110 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2k8d s VAL 110 Cb 0.00 -0.95 0.33 0.00 0.00 0.00 0.00 36.38 35.75 2k8d s VAL 110 CO 0.00 -0.55 1.16 -1.14 0.00 0.00 0.00 175.10 174.57 2k8d n ARG 111 N 5.29 3.75 -2.26 2.72 0.63 0.11 -3.85 116.66 123.04 2k8d n ARG 111 Ca -0.04 -4.79 -0.41 0.00 -0.92 0.00 0.00 57.85 51.69 2k8d n ARG 111 Cb 0.45 -2.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.02 2k8d n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k8d s GLU 113 N -1.02 1.79 -0.27 0.00 -1.05 -0.04 -0.37 118.70 117.74 2k8d s GLU 113 Ca 0.51 1.46 -0.04 0.00 -0.15 0.00 0.00 54.97 56.75 2k8d s GLU 113 Cb -0.36 -1.82 0.09 0.00 -0.44 0.00 0.00 34.13 31.60 2k8d s GLU 113 CO 0.44 -2.04 0.12 0.08 0.95 0.00 0.00 175.26 174.81 2k8d s VAL 114 N -2.56 0.02 0.14 1.83 1.01 0.06 -3.90 120.40 117.00 2k8d s VAL 114 Ca 0.67 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.00 2k8d s VAL 114 Cb -0.22 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2k8d s VAL 114 CO 0.53 -0.62 -0.09 -0.76 0.00 0.00 0.00 175.10 174.15 2k8d s LEU 115 N 2.06 2.52 0.06 3.92 1.02 -0.78 -1.17 118.68 126.31 2k8d s LEU 115 Ca 0.07 -1.02 -0.31 0.00 0.02 0.00 0.00 54.13 52.90 2k8d s LEU 115 Cb -0.16 -0.30 -0.06 0.00 0.02 0.00 0.00 46.19 45.68 2k8d s LEU 115 CO -0.30 -0.36 1.34 0.00 0.02 0.00 0.00 176.35 177.06 2k8d h ALA 117 N 7.17 1.00 0.15 0.00 0.00 -1.52 -1.59 119.26 124.47 2k8d h ALA 117 Ca -0.40 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 2k8d h ALA 117 Cb 1.20 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k8d h ALA 117 CO 0.87 0.00 -1.29 -0.09 0.00 0.00 0.00 179.25 178.73 2k8d h ARG 118 N 0.00 0.49 -2.06 0.00 9.65 -1.89 -3.45 114.38 117.12 2k8d h ARG 118 Ca 0.00 -0.73 -0.41 0.00 -1.10 0.00 0.00 59.98 57.74 2k8d h ARG 118 Cb 0.59 0.26 -0.32 0.00 -1.39 0.00 0.00 29.97 29.11 2k8d h ARG 118 CO 0.00 1.33 -0.72 0.00 2.80 0.00 0.00 179.97 183.38 2k8d n ASP 120 N 4.13 1.13 0.00 0.00 9.92 -0.90 -3.57 116.55 127.26 2k8d n ASP 120 Ca 0.12 -1.88 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 2k8d n ASP 120 Cb 0.44 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8d n ALA 121 N 3.90 -0.04 -0.32 2.24 0.00 -1.26 -4.94 120.51 120.09 2k8d n ALA 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k8d n ALA 121 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2k8d n ALA 121 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k8d n HIS 122 N -0.91 0.00 0.00 0.00 -0.00 -1.26 -5.10 115.22 107.95 2k8d n HIS 122 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2k8d n HIS 122 Cb 0.00 0.31 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2k8d n HIS 122 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2k8d n LEU 123 N -2.02 0.00 0.00 0.27 7.99 -0.90 -4.86 117.00 117.48 2k8d n LEU 123 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2k8d n LEU 123 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2k8d n LEU 123 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2k8d n GLY 124 N 0.00 -0.45 3.71 -0.72 0.00 -0.32 -0.47 105.19 106.94 2k8d n GLY 124 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2k8d n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k8d s HIS 125 N 0.00 0.23 0.02 1.61 -3.43 -0.39 -0.76 115.29 112.57 2k8d s HIS 125 Ca 0.00 -0.67 0.06 0.00 -0.80 0.00 0.00 55.06 53.64 2k8d s HIS 125 Cb 0.00 0.45 -0.03 0.00 -1.43 0.00 0.00 32.58 31.57 2k8d s HIS 125 CO 0.00 -1.21 -0.14 0.54 -2.00 0.00 0.00 174.74 171.93 2k8d s VAL 126 N -3.51 3.09 0.06 -5.38 0.11 0.50 -0.35 120.40 114.92 2k8d s VAL 126 Ca 0.18 -1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.15 2k8d s VAL 126 Cb -0.03 -2.31 -0.01 0.00 -1.53 0.00 0.00 36.38 32.50 2k8d s VAL 126 CO 0.10 0.38 0.13 0.72 -3.33 0.00 0.00 175.10 173.10 2k8d s PHE 127 N -0.93 0.21 -0.57 1.54 -0.71 -0.34 -2.51 117.98 114.68 2k8d s PHE 127 Ca 0.15 -0.60 -0.27 0.00 -1.04 0.00 0.00 56.93 55.17 2k8d s PHE 127 Cb -0.11 -0.13 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 2k8d s PHE 127 CO 0.06 -0.45 1.75 -0.51 -1.34 0.00 0.00 175.22 174.72 2k8d s ASP 128 N -2.57 5.55 0.00 1.98 1.11 -1.25 -0.13 116.67 121.36 2k8d s ASP 128 Ca 0.01 0.43 0.00 0.00 0.18 0.00 0.00 52.55 53.18 2k8d s ASP 128 Cb 0.03 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.49 2k8d s ASP 128 CO -0.08 -2.14 0.00 -0.67 1.18 0.00 0.00 175.17 173.46 2k8d n ASP 129 N 11.68 0.00 -4.24 0.27 -0.08 -0.91 -4.92 116.55 118.35 2k8d n ASP 129 Ca 0.18 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.17 2k8d n ASP 129 Cb 0.51 0.31 0.23 0.00 2.34 0.00 0.00 41.12 44.51 2k8d n ASP 129 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2k8d s GLY 130 N -1.87 1.54 0.92 0.27 0.00 -1.24 -4.81 107.32 102.13 2k8d s GLY 130 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 44.72 44.07 2k8d s GLY 130 CO 0.00 0.25 1.11 2.56 0.00 0.00 0.00 173.10 177.02 2k8d s PRO 131 N -4.94 1.05 0.68 2.90 0.04 -1.26 -3.28 135.00 130.19 2k8d s PRO 131 Ca 0.68 0.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 2k8d s PRO 131 Cb -0.18 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2k8d s PRO 131 CO 0.59 -2.30 1.26 1.03 0.04 0.00 0.00 177.00 177.62 2k8d s ARG 132 N -5.10 2.40 0.09 4.56 0.52 -1.26 -0.54 118.95 119.62 2k8d s ARG 132 Ca 0.64 1.96 -0.15 0.00 -0.52 0.00 0.00 55.73 57.65 2k8d s ARG 132 Cb -0.16 -1.84 -0.12 0.00 0.52 0.00 0.00 34.95 33.34 2k8d s ARG 132 CO 0.55 -1.68 1.35 -1.00 0.02 0.00 0.00 175.30 174.54 2k8d h PRO 133 N 0.25 0.69 0.00 3.54 0.13 -1.95 -3.44 132.00 131.22 2k8d h PRO 133 Ca -0.50 -0.44 -0.18 0.00 -0.87 0.00 0.00 66.00 64.01 2k8d h PRO 133 Cb 1.32 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 2k8d h PRO 133 CO 0.52 1.06 -0.87 1.79 -0.23 0.00 0.00 178.00 180.28 2k8d h THR 134 N 0.39 1.62 -0.08 1.56 1.35 -1.82 -3.47 112.91 112.46 2k8d h THR 134 Ca 0.01 -2.96 -0.03 0.00 -0.55 0.00 0.00 66.41 62.87 2k8d h THR 134 Cb 1.04 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 70.05 2k8d h THR 134 CO 0.10 0.85 -0.03 0.61 -0.25 0.00 0.00 175.52 176.79 2k8d n GLY 135 N 0.96 0.51 3.25 5.82 0.00 0.30 -5.03 105.19 111.01 2k8d n GLY 135 Ca -0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 2k8d n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8d s LYS 136 N -1.15 1.06 -0.29 1.61 -2.85 -1.20 -2.15 119.74 114.77 2k8d s LYS 136 Ca 0.00 -1.26 0.03 0.00 -1.00 0.00 0.00 55.97 53.74 2k8d s LYS 136 Cb 0.00 -0.97 0.08 0.00 -2.06 0.00 0.00 37.83 34.87 2k8d s LYS 136 CO 0.00 0.19 -0.04 0.50 0.10 0.00 0.00 175.35 176.10 2k8d s ARG 137 N -2.66 1.88 0.02 1.78 3.52 0.81 -3.58 118.95 120.72 2k8d s ARG 137 Ca 0.10 -1.50 -0.30 0.00 -0.13 0.00 0.00 55.73 53.89 2k8d s ARG 137 Cb -0.05 -2.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.33 2k8d s ARG 137 CO 0.03 -0.71 1.32 0.71 -0.81 0.00 0.00 175.30 175.84 2k8d s TYR 138 N 1.07 3.10 -0.05 5.12 1.51 0.42 -1.19 117.35 127.33 2k8d s TYR 138 Ca -0.01 1.01 0.00 0.00 -1.01 0.00 0.00 57.07 57.06 2k8d s TYR 138 Cb -0.19 -3.57 0.03 0.00 -0.11 0.00 0.00 41.96 38.11 2k8d s TYR 138 CO -0.07 -1.99 -0.02 0.00 -1.11 0.00 0.00 175.55 172.36 2k8d s MET 140 N 1.26 0.45 -0.03 0.00 0.23 -1.11 -1.26 119.30 118.84 2k8d s MET 140 Ca -0.06 -0.20 -0.01 0.00 -1.03 0.00 0.00 55.69 54.39 2k8d s MET 140 Cb -0.13 0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.39 2k8d s MET 140 CO -0.02 -0.10 0.06 -0.80 -2.03 0.00 0.00 175.02 172.13 2k8d s ASN 141 N -1.01 0.02 0.14 -1.18 0.01 0.38 -4.76 114.94 108.54 2k8d s ASN 141 Ca -0.11 0.10 -0.24 0.00 -0.71 0.00 0.00 52.86 51.90 2k8d s ASN 141 Cb -0.06 -0.00 0.08 0.00 0.41 0.00 0.00 41.25 41.68 2k8d s ASN 141 CO 0.02 -0.13 1.05 -0.94 -1.51 0.00 0.00 177.10 175.59 2k8d s SER 142 N 1.07 -0.07 0.00 -1.22 1.04 -1.26 -2.12 113.70 111.14 2k8d s SER 142 Ca -0.09 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2k8d s SER 142 Cb -0.12 0.44 0.19 0.00 0.10 0.00 0.00 66.02 66.63 2k8d s SER 142 CO -0.04 -0.84 1.10 0.00 0.98 0.00 0.00 173.24 174.44 2k8d n ALA 143 N -0.60 1.23 0.27 5.32 0.00 -1.24 -3.49 120.51 122.00 2k8d n ALA 143 Ca -0.04 -0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.55 2k8d n ALA 143 Cb 0.60 -1.07 0.67 0.00 0.00 0.00 0.00 19.45 19.65 2k8d n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8d h ALA 144 N 2.16 1.01 -0.66 0.00 0.00 -1.93 -3.42 119.26 116.41 2k8d h ALA 144 Ca 0.00 -0.02 -0.71 0.00 0.00 0.00 0.00 54.91 54.18 2k8d h ALA 144 Cb 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2k8d h ALA 144 CO 0.00 0.03 2.41 1.28 0.00 0.00 0.00 179.25 182.97 2k8d n LEU 145 N -3.13 6.03 -4.59 0.00 4.77 -1.23 -1.41 117.00 117.45 2k8d n LEU 145 Ca 0.01 -4.21 -0.39 0.00 -0.03 0.00 0.00 56.01 51.38 2k8d n LEU 145 Cb 0.32 -1.65 -0.10 0.00 -2.33 0.00 0.00 43.42 39.66 2k8d n LEU 145 CO 0.28 0.82 -0.07 -0.75 -1.33 0.00 0.00 177.39 176.34 2k8d s LYS 146 N 2.75 3.90 0.51 3.23 2.20 -0.79 -5.01 119.74 126.52 2k8d s LYS 146 Ca 0.47 -0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.63 2k8d s LYS 146 Cb 0.08 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.65 2k8d s LYS 146 CO -0.01 -0.27 1.23 -0.06 -0.36 0.00 0.00 175.35 175.88 2k8d s PHE 147 N 1.89 2.60 0.21 4.03 0.08 -1.26 -0.16 117.98 125.37 2k8d s PHE 147 Ca 0.10 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.62 2k8d s PHE 147 Cb -0.16 -3.52 -0.04 0.00 -0.57 0.00 0.00 43.02 38.73 2k8d s PHE 147 CO 0.11 -2.06 0.16 0.96 -0.10 0.00 0.00 175.22 174.29 2k8d s ILE 148 N -1.49 0.00 1.22 0.64 -4.36 -0.07 -4.79 121.20 112.35 2k8d s ILE 148 Ca 0.69 -1.96 -0.18 0.00 -0.26 0.00 0.00 60.65 58.94 2k8d s ILE 148 Cb -0.32 -2.48 0.26 0.00 1.25 0.00 0.00 42.46 41.17 2k8d s ILE 148 CO 0.38 0.00 0.57 -0.81 0.24 0.00 0.00 174.94 175.32 2k8d n PRO 149 N -0.29 -3.23 -0.21 0.37 -0.04 -1.26 -0.82 135.00 129.52 2k8d n PRO 149 Ca 0.02 -0.95 0.11 0.00 -0.04 0.00 0.00 63.50 62.64 2k8d n PRO 149 Cb 0.66 -1.74 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 2k8d n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k8d n ARG 150 N -3.66 -0.05 0.00 0.54 5.12 -1.26 -3.79 116.66 113.56 2k8d n ARG 150 Ca 0.08 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 2k8d n ARG 150 Cb 0.49 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2k8d n ARG 150 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2k8d n ASP 151 N -4.73 0.00 0.00 0.55 2.03 -1.26 -4.67 116.55 108.47 2k8d n ASP 151 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2k8d n ASP 151 Cb 0.53 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.23 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k8d n GLN 152 N -1.98 0.00 0.16 -0.67 -0.00 -1.26 -4.98 117.38 108.65 2k8d n GLN 152 Ca 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 57.00 56.76 2k8d n GLN 152 Cb 0.00 -0.28 0.32 0.00 -0.00 0.00 0.00 30.24 30.28 2k8d n GLN 152 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.06 176.22 2k8d h ILE 153 N 2.84 1.28 0.00 -0.39 -0.00 -1.95 -3.52 117.51 115.77 2k8d h ILE 153 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 64.86 63.51 2k8d h ILE 153 Cb 0.96 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.46 2k8d h ILE 153 CO 0.00 0.39 0.00 0.61 -0.00 0.00 0.00 178.15 179.15