#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 0.95 -3.83 2.12 3.00 -1.26 -5.15 118.16 113.99 2k8d n LYS 5 Ca 0.00 -1.69 -0.09 0.00 -0.00 0.00 0.00 58.31 56.53 2k8d n LYS 5 Cb 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 35.03 34.52 2k8d n LYS 5 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2k8d s ASP 6 N -1.07 0.01 0.08 3.14 1.47 -1.26 -5.12 116.67 113.92 2k8d s ASP 6 Ca 0.21 -1.08 0.08 0.00 1.18 0.00 0.00 52.55 52.93 2k8d s ASP 6 Cb 0.31 0.82 -0.03 0.00 -0.34 0.00 0.00 42.92 43.69 2k8d s ASP 6 CO -0.08 -1.62 -0.21 -0.13 0.68 0.00 0.00 175.17 173.82 2k8d s ARG 7 N -2.60 1.21 0.01 2.11 1.81 -1.26 -2.32 118.95 117.91 2k8d s ARG 7 Ca 0.16 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.10 2k8d s ARG 7 Cb -0.05 -1.41 -0.01 0.00 -0.45 0.00 0.00 34.95 33.03 2k8d s ARG 7 CO 0.11 0.34 -0.03 0.96 -0.68 0.00 0.00 175.30 176.00 2k8d s ILE 8 N -1.02 0.20 -0.29 1.52 -4.36 0.89 -4.88 121.20 113.24 2k8d s ILE 8 Ca 0.07 -0.53 -0.29 0.00 -0.26 0.00 0.00 60.65 59.63 2k8d s ILE 8 Cb -0.10 -0.25 0.01 0.00 1.25 0.00 0.00 42.46 43.38 2k8d s ILE 8 CO 0.03 -0.22 1.09 -2.16 0.24 0.00 0.00 174.94 173.92 2k8d s PRO 9 N -0.79 4.11 -0.70 0.37 0.04 -1.26 -1.01 135.00 135.75 2k8d s PRO 9 Ca -0.07 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 61.87 2k8d s PRO 9 Cb -0.05 -3.72 0.03 0.00 0.04 0.00 0.00 34.50 30.79 2k8d s PRO 9 CO -0.00 -0.84 1.29 0.42 0.04 0.00 0.00 177.00 177.90 2k8d s ILE 10 N 3.58 3.76 -0.35 0.56 -1.09 0.12 -4.21 121.20 123.57 2k8d s ILE 10 Ca 0.46 0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 59.30 2k8d s ILE 10 Cb -0.13 -4.84 0.04 0.00 -1.58 0.00 0.00 42.46 35.94 2k8d s ILE 10 CO 0.14 -1.72 0.12 0.12 -1.23 0.00 0.00 174.94 172.37 2k8d s PHE 11 N 5.73 3.26 -0.82 3.97 2.19 -1.26 -1.18 117.98 129.88 2k8d s PHE 11 Ca 0.38 -1.40 -0.24 0.00 0.33 0.00 0.00 56.93 56.00 2k8d s PHE 11 Cb -0.08 -2.35 0.06 0.00 -1.31 0.00 0.00 43.02 39.34 2k8d s PHE 11 CO 0.17 -0.73 1.24 0.45 1.83 0.00 0.00 175.22 178.18 2k8d s SER 12 N 1.47 6.31 0.29 6.13 0.15 0.05 -4.84 113.70 123.25 2k8d s SER 12 Ca -0.01 -1.02 0.03 0.00 0.70 0.00 0.00 55.95 55.65 2k8d s SER 12 Cb -0.20 -2.51 0.44 0.00 -1.71 0.00 0.00 66.02 62.04 2k8d s SER 12 CO 0.03 -1.58 1.75 1.62 1.20 0.00 0.00 173.24 176.26 2k8d h VAL 13 N 6.20 1.25 -0.11 4.45 3.04 -1.81 0.23 116.25 129.50 2k8d h VAL 13 Ca -0.10 -1.18 0.03 0.00 -1.01 0.00 0.00 66.70 64.43 2k8d h VAL 13 Cb 1.04 1.27 -0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2k8d h VAL 13 CO 1.28 0.38 0.58 0.00 -1.01 0.00 0.00 177.57 178.80 2k8d h ALA 14 N 1.34 1.71 0.00 3.17 0.00 -1.88 -1.02 119.26 122.58 2k8d h ALA 14 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k8d h ALA 14 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k8d h ALA 14 CO 0.04 -0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.28 2k8d n LYS 15 N -2.90 0.10 -3.88 0.00 5.02 -1.05 -5.00 118.16 110.46 2k8d n LYS 15 Ca 0.01 -0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 55.53 2k8d n LYS 15 Cb 0.65 -0.72 0.01 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.07 -3.77 -4.77 4.39 5.15 0.54 -5.02 115.26 111.70 2k8d n ASN 16 Ca 0.00 -1.02 -0.24 0.00 -0.60 0.00 0.00 54.58 52.72 2k8d n ASN 16 Cb 0.22 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.05 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 -6.12 2.77 -0.01 1.20 0.52 0.28 -4.95 118.95 112.65 2k8d s ARG 17 Ca 0.25 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 2k8d s ARG 17 Cb -0.14 -2.51 0.01 0.00 0.52 0.00 0.00 34.95 32.83 2k8d s ARG 17 CO 0.82 0.42 -0.02 0.54 0.02 0.00 0.00 175.30 177.09 2k8d s VAL 18 N -2.01 0.18 0.09 3.52 0.11 -1.26 -0.77 120.40 120.27 2k8d s VAL 18 Ca 0.31 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2k8d s VAL 18 Cb -0.08 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2k8d s VAL 18 CO 0.23 0.08 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.16 2k8d s GLU 19 N 0.23 0.81 -0.12 1.54 -1.05 -0.32 -5.01 118.70 114.78 2k8d s GLU 19 Ca -0.02 -1.18 -0.00 0.00 -0.15 0.00 0.00 54.97 53.61 2k8d s GLU 19 Cb -0.04 -0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 33.23 2k8d s GLU 19 CO -0.01 0.04 -0.11 1.41 0.95 0.00 0.00 175.26 177.55 2k8d s MET 20 N -3.05 3.29 0.07 -4.83 1.75 -1.26 0.15 119.30 115.42 2k8d s MET 20 Ca 0.06 -0.65 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 2k8d s MET 20 Cb -0.01 -2.65 -0.03 0.00 2.84 0.00 0.00 34.83 34.98 2k8d s MET 20 CO -0.01 0.30 -0.07 0.08 -0.65 0.00 0.00 175.02 174.67 2k8d s VAL 21 N 0.14 0.61 0.66 10.11 1.01 -0.18 -4.95 120.40 127.80 2k8d s VAL 21 Ca -0.05 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 2k8d s VAL 21 Cb -0.15 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.03 2k8d s VAL 21 CO 0.04 -0.67 1.13 -1.61 0.00 0.00 0.00 175.10 173.99 2k8d s GLU 22 N -2.86 2.74 0.52 2.72 8.01 -1.26 -0.08 118.70 128.48 2k8d s GLU 22 Ca 0.02 1.47 -0.21 0.00 0.01 0.00 0.00 54.97 56.26 2k8d s GLU 22 Cb -0.01 -1.94 -0.06 0.00 -4.31 0.00 0.00 34.13 27.81 2k8d s GLU 22 CO -0.03 -1.31 1.21 0.50 0.01 0.00 0.00 175.26 175.64 2k8d s ARG 23 N -3.99 3.41 0.07 1.61 3.00 -0.98 -4.75 118.95 117.31 2k8d s ARG 23 Ca 0.69 1.86 -0.30 0.00 -1.00 0.00 0.00 55.73 56.97 2k8d s ARG 23 Cb -0.22 -2.22 -0.09 0.00 0.00 0.00 0.00 34.95 32.41 2k8d s ARG 23 CO 0.41 -0.87 1.90 -1.50 0.00 0.00 0.00 175.30 175.24 2k8d s ILE 24 N -1.53 2.85 -0.24 4.11 2.07 -1.21 -4.96 121.20 122.30 2k8d s ILE 24 Ca 0.69 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.98 2k8d s ILE 24 Cb -0.31 -3.04 0.12 0.00 0.13 0.00 0.00 42.46 39.36 2k8d s ILE 24 CO 0.36 -0.00 0.30 -1.83 -1.91 0.00 0.00 174.94 171.86 2k8d s GLU 25 N 3.74 0.28 0.35 3.50 -1.05 -1.26 -4.98 118.70 119.29 2k8d s GLU 25 Ca 0.85 0.28 0.05 0.00 -0.15 0.00 0.00 54.97 56.00 2k8d s GLU 25 Cb -0.44 -0.80 -0.03 0.00 -0.44 0.00 0.00 34.13 32.43 2k8d s GLU 25 CO 0.39 -0.72 0.20 -0.51 0.95 0.00 0.00 175.26 175.57 2k8d s LEU 26 N 2.43 1.81 0.86 1.83 1.43 -1.26 -5.17 118.68 120.60 2k8d s LEU 26 Ca 0.10 -1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 51.40 2k8d s LEU 26 Cb -0.15 0.26 0.15 0.00 0.03 0.00 0.00 46.19 46.48 2k8d s LEU 26 CO -0.17 -0.99 1.19 -0.94 0.23 0.00 0.00 176.35 175.67 2k8d s SER 27 N -3.46 3.77 0.09 2.29 1.04 -1.26 -5.02 113.70 111.15 2k8d s SER 27 Ca 0.33 0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.75 2k8d s SER 27 Cb 0.03 -0.45 -0.11 0.00 0.10 0.00 0.00 66.02 65.58 2k8d s SER 27 CO 0.21 -2.29 1.66 -0.78 0.98 0.00 0.00 173.24 173.01 2k8d h ASP 28 N -1.19 0.16 0.71 7.02 3.58 -2.03 -3.28 116.42 121.39 2k8d h ASP 28 Ca -0.43 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 56.90 2k8d h ASP 28 Cb 1.26 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k8d h ASP 28 CO 0.44 0.23 -0.03 0.44 -2.88 0.00 0.00 179.24 177.44 2k8d h ASP 29 N 0.08 0.00 -0.80 2.28 3.32 -2.04 -2.96 116.42 116.29 2k8d h ASP 29 Ca 0.04 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2k8d h ASP 29 Cb 0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 2k8d h ASP 29 CO -0.01 0.03 0.52 -0.33 -1.72 0.00 0.00 179.24 177.73 2k8d h GLU 30 N 0.00 0.98 -0.01 3.56 4.39 -1.97 -3.14 114.58 118.39 2k8d h GLU 30 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2k8d h GLU 30 Cb 0.39 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2k8d h GLU 30 CO 0.00 0.65 0.00 0.91 -1.16 0.00 0.00 179.01 179.41 2k8d n TRP 31 N -4.58 0.00 0.00 4.33 7.02 -1.12 -0.93 117.44 122.16 2k8d n TRP 31 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 2k8d n TRP 31 Cb 0.08 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.97 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 -0.40 2.64 -0.00 -0.99 0.00 -1.19 -4.37 116.66 112.35 2k8d n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2k8d n ARG 32 Cb 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 32.46 32.26 2k8d n ARG 32 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2k8d n GLU 33 N -0.38 1.75 -0.07 2.89 0.28 -0.10 -4.59 120.64 120.41 2k8d n GLU 33 Ca 0.00 -0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 2k8d n GLU 33 Cb 0.00 -0.88 0.08 0.00 1.43 0.00 0.00 31.44 32.08 2k8d n GLU 33 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 2k8d n ILE 34 N -1.38 0.49 -4.10 3.84 -5.35 -0.21 -5.04 119.36 107.61 2k8d n ILE 34 Ca -0.00 -0.74 -0.23 0.00 -0.27 0.00 0.00 62.75 61.51 2k8d n ILE 34 Cb 0.00 0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 38.70 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 -0.90 3.35 0.28 7.28 1.43 -1.26 -5.02 118.68 123.86 2k8d s LEU 35 Ca 0.15 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2k8d s LEU 35 Cb 0.09 -1.86 -0.12 0.00 0.03 0.00 0.00 46.19 44.33 2k8d s LEU 35 CO 0.13 -0.23 1.46 0.47 0.23 0.00 0.00 176.35 178.41 2k8d n ASP 36 N -1.14 3.20 0.21 2.29 9.92 -1.26 -4.84 116.55 124.94 2k8d n ASP 36 Ca -0.04 1.16 0.15 0.00 -0.53 0.00 0.00 54.79 55.53 2k8d n ASP 36 Cb 0.60 -1.51 0.69 0.00 -0.64 0.00 0.00 41.12 40.26 2k8d n ASP 36 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2k8d h PRO 37 N 4.05 0.00 -0.18 -0.24 0.13 -1.94 -0.80 132.00 133.02 2k8d h PRO 37 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 2k8d h PRO 37 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k8d h PRO 37 CO 0.74 0.00 -0.60 1.49 -0.23 0.00 0.00 178.00 179.40 2k8d h GLU 38 N 0.00 0.73 -0.40 0.86 4.81 -1.99 -2.66 114.58 115.92 2k8d h GLU 38 Ca 0.00 -0.54 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2k8d h GLU 38 Cb 0.27 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k8d h GLU 38 CO 0.00 1.16 0.23 0.00 -0.73 0.00 0.00 179.01 179.67 2k8d h ALA 39 N 0.57 0.52 -0.41 2.92 0.00 -1.47 0.15 119.26 121.53 2k8d h ALA 39 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k8d h ALA 39 Cb 1.22 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2k8d h ALA 39 CO 0.13 0.03 0.13 0.35 0.00 0.00 0.00 179.25 179.89 2k8d h PHE 40 N 0.52 0.23 -0.04 0.00 3.57 -1.48 0.53 116.94 120.28 2k8d h PHE 40 Ca 0.14 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2k8d h PHE 40 Cb 0.03 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2k8d h PHE 40 CO -0.03 0.08 -0.16 0.07 -2.23 0.00 0.00 178.31 176.04 2k8d h ARG 41 N 0.29 0.17 -0.44 1.11 0.11 -1.21 -3.15 114.38 111.26 2k8d h ARG 41 Ca 0.19 -0.14 0.13 0.00 0.10 0.00 0.00 59.98 60.26 2k8d h ARG 41 Cb 0.20 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 2k8d h ARG 41 CO -0.21 0.79 0.32 0.28 0.10 0.00 0.00 179.97 181.25 2k8d h VAL 42 N -0.40 0.74 0.00 0.08 2.07 -0.45 0.22 116.25 118.51 2k8d h VAL 42 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2k8d h VAL 42 Cb 0.82 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2k8d h VAL 42 CO 0.03 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.58 2k8d h ALA 43 N 1.76 1.19 0.04 1.67 0.00 -0.84 0.12 119.26 123.20 2k8d h ALA 43 Ca 0.21 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.77 2k8d h ALA 43 Cb 0.86 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2k8d h ALA 43 CO -0.00 0.05 -1.82 2.89 0.00 0.00 0.00 179.25 180.37 2k8d n ARG 44 N -3.41 0.67 0.00 0.00 -4.01 0.75 -4.46 116.66 106.21 2k8d n ARG 44 Ca -0.02 0.28 0.11 0.00 -1.04 0.00 0.00 57.85 57.18 2k8d n ARG 44 Cb 0.16 -1.76 0.07 0.00 -3.04 0.00 0.00 32.46 27.89 2k8d n ARG 44 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2k8d n LYS 45 N -3.18 1.86 -4.49 2.89 2.85 -1.01 -4.96 118.16 112.12 2k8d n LYS 45 Ca -0.22 -1.60 -0.42 0.00 -1.05 0.00 0.00 58.31 55.03 2k8d n LYS 45 Cb 1.05 -1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 33.95 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 0.93 -1.22 -0.03 0.58 0.00 0.38 -1.17 120.51 119.99 2k8d n ALA 46 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k8d n ALA 46 Cb 0.51 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.11 0.75 3.33 0.00 0.00 -1.11 -4.55 105.19 102.49 2k8d n GLY 47 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 2k8d n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k8d s THR 48 N -2.29 -0.58 0.11 2.61 -1.32 -0.31 -5.03 115.64 108.83 2k8d s THR 48 Ca 0.00 0.13 -0.33 0.00 -1.21 0.00 0.00 61.69 60.28 2k8d s THR 48 Cb 0.00 -0.71 -0.13 0.00 -1.51 0.00 0.00 72.50 70.15 2k8d s THR 48 CO 0.00 0.05 1.57 -0.33 -2.21 0.00 0.00 174.62 173.70 2k8d h GLU 49 N 7.96 -0.69 -7.25 7.08 4.39 -1.96 -3.41 114.58 120.69 2k8d h GLU 49 Ca -0.19 0.05 -0.49 0.00 0.34 0.00 0.00 59.36 59.06 2k8d h GLU 49 Cb 1.12 0.16 0.05 0.00 -0.10 0.00 0.00 28.75 29.98 2k8d h GLU 49 CO 0.14 -0.46 0.38 -1.25 -1.16 0.00 0.00 179.01 176.67 2k8d s PRO 50 N -5.82 3.55 0.28 2.33 0.04 -1.26 -5.03 135.00 129.09 2k8d s PRO 50 Ca -0.16 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2k8d s PRO 50 Cb 0.07 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 2k8d s PRO 50 CO 0.62 -0.61 1.50 -1.25 0.04 0.00 0.00 177.00 177.30 2k8d s PRO 51 N -4.48 4.20 0.27 0.56 0.04 -1.26 -5.01 135.00 129.32 2k8d s PRO 51 Ca 0.59 2.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.96 2k8d s PRO 51 Cb -0.12 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2k8d s PRO 51 CO 0.42 -0.51 0.48 0.12 0.04 0.00 0.00 177.00 177.55 2k8d s PHE 52 N -0.15 0.50 -0.21 0.56 5.36 -1.26 -5.14 117.98 117.63 2k8d s PHE 52 Ca 0.60 -0.85 -0.19 0.00 -0.96 0.00 0.00 56.93 55.53 2k8d s PHE 52 Cb -0.45 0.14 0.05 0.00 -0.34 0.00 0.00 43.02 42.43 2k8d s PHE 52 CO 0.47 -1.03 0.56 0.99 -1.46 0.00 0.00 175.22 174.75 2k8d s THR 53 N -3.79 -0.00 0.19 0.12 2.01 -1.26 -5.10 115.64 107.82 2k8d s THR 53 Ca 0.24 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.24 2k8d s THR 53 Cb -0.00 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2k8d s THR 53 CO 0.11 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2k8d n GLY 54 N 2.81 -1.83 3.65 4.40 0.00 -1.26 -5.06 105.19 107.90 2k8d n GLY 54 Ca -0.14 -1.23 -0.02 0.00 0.00 0.00 0.00 46.02 44.63 2k8d n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8d s LYS 55 N -1.47 0.72 0.02 1.61 1.02 -1.26 -5.18 119.74 115.19 2k8d s LYS 55 Ca 0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.60 2k8d s LYS 55 Cb 0.00 0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 37.56 2k8d s LYS 55 CO 0.00 -0.32 0.03 0.71 -0.92 0.00 0.00 175.35 174.85 2k8d s TYR 56 N -2.81 0.19 -0.06 3.18 2.02 -1.26 -4.95 117.35 113.65 2k8d s TYR 56 Ca 0.12 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 2k8d s TYR 56 Cb 0.01 -0.14 0.08 0.00 -0.40 0.00 0.00 41.96 41.51 2k8d s TYR 56 CO -0.03 -0.23 1.12 -2.39 -1.57 0.00 0.00 175.55 172.45 2k8d n HIS 57 N 1.48 -0.10 -0.96 2.71 1.44 -1.26 -5.16 115.22 113.37 2k8d n HIS 57 Ca -0.23 -0.47 -0.30 0.00 -2.01 0.00 0.00 57.72 54.71 2k8d n HIS 57 Cb 0.55 0.20 0.16 0.00 0.12 0.00 0.00 29.99 31.03 2k8d n HIS 57 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 2k8d s ASP 58 N -3.45 2.90 0.09 4.39 -4.77 -1.26 -5.02 116.67 109.55 2k8d s ASP 58 Ca 0.27 1.67 -0.17 0.00 -3.30 0.00 0.00 52.55 51.02 2k8d s ASP 58 Cb -0.00 -2.31 0.04 0.00 -1.09 0.00 0.00 42.92 39.55 2k8d s ASP 58 CO -0.02 -3.03 0.41 -1.48 0.70 0.00 0.00 175.17 171.75 2k8d s LEU 59 N -6.49 0.39 -0.14 2.11 2.34 -1.26 -5.14 118.68 110.48 2k8d s LEU 59 Ca 0.65 -0.19 -0.04 0.00 0.06 0.00 0.00 54.13 54.61 2k8d s LEU 59 Cb -0.20 1.81 0.05 0.00 -0.56 0.00 0.00 46.19 47.29 2k8d s LEU 59 CO 0.59 -0.78 0.06 -1.00 -1.06 0.00 0.00 176.35 174.16 2k8d s HIS 60 N -3.29 0.43 -0.53 3.48 3.76 -1.26 -5.05 115.29 112.82 2k8d s HIS 60 Ca -0.00 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 2k8d s HIS 60 Cb 0.01 -0.75 0.52 0.00 1.11 0.00 0.00 32.58 33.47 2k8d s HIS 60 CO -0.08 -0.46 1.86 -0.25 -0.85 0.00 0.00 174.74 174.96 2k8d n ASP 61 N 5.21 5.80 -4.14 1.40 8.00 -1.26 -4.70 116.55 126.87 2k8d n ASP 61 Ca -0.07 -3.74 -0.36 0.00 0.71 0.00 0.00 54.79 51.34 2k8d n ASP 61 Cb 0.49 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.62 2k8d n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8d s ASP 62 N -1.94 5.12 0.00 -2.24 -1.08 -1.26 -3.85 116.67 111.42 2k8d s ASP 62 Ca 0.59 -1.77 0.00 0.00 -0.52 0.00 0.00 52.55 50.85 2k8d s ASP 62 Cb 0.48 -1.78 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 2k8d s ASP 62 CO 0.03 -0.44 0.00 0.61 0.52 0.00 0.00 175.17 175.89 2k8d n GLY 63 N 4.59 -1.86 3.16 2.66 0.00 -1.26 -4.63 105.19 107.85 2k8d n GLY 63 Ca -0.06 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.06 0.84 0.37 -0.61 -4.36 -0.20 -1.46 121.20 113.71 2k8d s ILE 64 Ca 0.00 -1.60 -0.24 0.00 -0.26 0.00 0.00 60.65 58.54 2k8d s ILE 64 Cb 0.00 -1.30 -0.10 0.00 1.25 0.00 0.00 42.46 42.31 2k8d s ILE 64 CO 0.00 -0.58 0.97 -0.31 0.24 0.00 0.00 174.94 175.26 2k8d s TYR 65 N -2.48 3.49 -0.18 1.37 1.51 0.77 -0.69 117.35 121.14 2k8d s TYR 65 Ca 0.04 1.71 -0.04 0.00 -1.01 0.00 0.00 57.07 57.77 2k8d s TYR 65 Cb -0.03 -2.95 0.06 0.00 -0.11 0.00 0.00 41.96 38.93 2k8d s TYR 65 CO -0.01 -0.07 0.08 0.50 -1.11 0.00 0.00 175.55 174.94 2k8d s ARG 66 N -2.45 0.26 -0.51 -0.62 3.00 0.42 -0.75 118.95 118.29 2k8d s ARG 66 Ca 0.55 -0.22 -0.26 0.00 -1.00 0.00 0.00 55.73 54.80 2k8d s ARG 66 Cb -0.17 -1.89 -0.05 0.00 0.00 0.00 0.00 34.95 32.84 2k8d s ARG 66 CO 0.22 -0.68 2.16 0.00 0.00 0.00 0.00 175.30 176.99 2k8d h ILE 68 N 7.31 0.93 -0.12 0.00 2.10 -1.15 0.19 117.51 126.76 2k8d h ILE 68 Ca -0.26 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.20 2k8d h ILE 68 Cb 1.22 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2k8d h ILE 68 CO 1.16 0.13 0.00 0.00 -1.08 0.00 0.00 178.15 178.36 2k8d n GLY 71 N 0.00 0.79 3.38 0.00 0.00 0.55 -4.94 105.19 104.97 2k8d n GLY 71 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.03 2.24 0.33 2.61 2.01 -1.03 -4.86 115.64 113.90 2k8d s THR 72 Ca 0.00 -1.59 -0.05 0.00 0.31 0.00 0.00 61.69 60.36 2k8d s THR 72 Cb 0.00 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 2k8d s THR 72 CO 0.00 0.21 0.60 1.51 -0.69 0.00 0.00 174.62 176.25 2k8d s ASP 73 N -1.71 6.42 0.00 3.53 -4.77 -1.26 -0.10 116.67 118.77 2k8d s ASP 73 Ca 0.13 0.75 0.00 0.00 -3.30 0.00 0.00 52.55 50.13 2k8d s ASP 73 Cb -0.10 -2.16 0.00 0.00 -1.09 0.00 0.00 42.92 39.57 2k8d s ASP 73 CO 0.04 -0.27 0.00 0.00 0.70 0.00 0.00 175.17 175.64 2k8d n LEU 74 N -1.22 0.00 -4.70 2.11 -0.00 0.07 -4.83 117.00 108.43 2k8d n LEU 74 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 56.01 55.47 2k8d n LEU 74 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.90 2k8d n LEU 74 CO 0.49 0.00 1.41 0.49 -0.00 0.00 0.00 177.39 179.77 2k8d n PHE 75 N 0.00 2.19 -2.38 1.47 3.72 -1.26 -4.35 117.46 116.86 2k8d n PHE 75 Ca 0.00 0.26 -0.40 0.00 -0.05 0.00 0.00 57.45 57.26 2k8d n PHE 75 Cb 0.00 -2.56 -0.04 0.00 -0.94 0.00 0.00 39.48 35.94 2k8d n PHE 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k8d s ASP 76 N 3.76 7.13 0.62 4.37 1.11 -1.26 -0.16 116.67 132.24 2k8d s ASP 76 Ca 0.95 2.37 0.39 0.00 0.18 0.00 0.00 52.55 56.45 2k8d s ASP 76 Cb -0.88 -2.63 2.00 0.00 1.07 0.00 0.00 42.92 42.48 2k8d s ASP 76 CO 0.58 -0.26 2.23 0.28 1.18 0.00 0.00 175.17 179.18 2k8d h SER 77 N 3.81 0.00 0.40 0.27 0.02 -1.50 0.71 113.55 117.26 2k8d h SER 77 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2k8d h SER 77 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2k8d h SER 77 CO 0.67 0.01 0.00 -1.84 -1.14 0.00 0.00 176.83 174.53 2k8d n GLU 78 N -3.16 0.12 0.16 3.45 0.28 -1.25 -0.63 120.64 119.60 2k8d n GLU 78 Ca -0.02 0.46 0.12 0.00 -0.16 0.00 0.00 57.16 57.56 2k8d n GLU 78 Cb 0.16 -1.78 0.12 0.00 1.43 0.00 0.00 31.44 31.37 2k8d n GLU 78 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2k8d h THR 79 N 0.00 0.00 -2.65 3.84 1.35 -1.18 -3.43 112.91 110.84 2k8d h THR 79 Ca 0.00 -0.94 -0.59 0.00 -0.55 0.00 0.00 66.41 64.33 2k8d h THR 79 Cb 0.20 1.72 -0.39 0.00 -1.73 0.00 0.00 68.15 67.95 2k8d h THR 79 CO 0.00 0.00 -0.84 -0.75 -0.25 0.00 0.00 175.52 173.68 2k8d s LYS 80 N -3.26 0.93 -0.03 4.72 2.36 0.20 -3.18 119.74 121.48 2k8d s LYS 80 Ca 0.04 -1.82 0.01 0.00 -2.55 0.00 0.00 55.97 51.66 2k8d s LYS 80 Cb 0.08 -1.71 0.01 0.00 -1.05 0.00 0.00 37.83 35.16 2k8d s LYS 80 CO 0.72 -1.25 -0.05 0.12 1.55 0.00 0.00 175.35 176.44 2k8d s PHE 81 N 0.48 0.63 -0.13 4.03 5.36 -1.23 -4.77 117.98 122.35 2k8d s PHE 81 Ca 0.22 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 2k8d s PHE 81 Cb -0.15 -0.53 0.06 0.00 -0.34 0.00 0.00 43.02 42.06 2k8d s PHE 81 CO -0.06 -0.12 0.13 0.34 -1.46 0.00 0.00 175.22 174.06 2k8d s ASP 82 N 0.53 1.52 -0.87 6.13 -1.08 -1.26 -4.98 116.67 116.66 2k8d s ASP 82 Ca -0.07 -0.17 -0.22 0.00 -0.52 0.00 0.00 52.55 51.58 2k8d s ASP 82 Cb -0.10 0.05 -0.14 0.00 -1.46 0.00 0.00 42.92 41.27 2k8d s ASP 82 CO -0.00 -0.30 1.93 -1.54 0.52 0.00 0.00 175.17 175.78 2k8d n SER 83 N 5.30 2.69 0.00 -0.34 3.41 -1.26 -1.59 113.62 121.83 2k8d n SER 83 Ca -0.05 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2k8d n SER 83 Cb 0.49 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2k8d n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k8d n GLY 84 N 4.75 4.37 0.10 5.00 0.00 -1.26 -4.94 105.19 113.20 2k8d n GLY 84 Ca 0.49 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 2k8d n GLY 84 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k8d h THR 85 N 0.00 1.60 -0.77 2.61 2.02 -1.97 -3.47 112.91 112.94 2k8d h THR 85 Ca 0.00 -2.39 -0.17 0.00 0.77 0.00 0.00 66.41 64.62 2k8d h THR 85 Cb 0.00 3.19 -0.07 0.00 -1.74 0.00 0.00 68.15 69.53 2k8d h THR 85 CO 0.00 0.66 -0.16 0.61 0.37 0.00 0.00 175.52 177.00 2k8d n GLY 86 N 1.55 0.81 3.55 2.16 0.00 -0.62 -4.88 105.19 107.77 2k8d n GLY 86 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2k8d n GLY 86 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2k8d n TRP 87 N -1.72 0.57 -1.20 1.61 4.27 -1.26 -4.80 117.44 114.90 2k8d n TRP 87 Ca -0.09 0.57 -0.36 0.00 -3.89 0.00 0.00 57.50 53.74 2k8d n TRP 87 Cb 0.42 -2.14 -0.03 0.00 -1.36 0.00 0.00 31.31 28.21 2k8d n TRP 87 CO 0.00 0.00 0.00 -0.35 -2.29 0.00 0.00 177.69 175.05 2k8d n PRO 88 N 0.24 2.45 -4.53 -2.67 -0.04 -1.26 -4.80 135.00 124.40 2k8d n PRO 88 Ca 0.11 -1.99 -0.21 0.00 -0.04 0.00 0.00 63.50 61.37 2k8d n PRO 88 Cb 0.39 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 30.86 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 3.52 1.65 0.16 3.54 1.04 -1.26 -1.57 113.70 120.79 2k8d s SER 89 Ca 0.52 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 2k8d s SER 89 Cb 0.14 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2k8d s SER 89 CO -0.01 0.12 0.10 0.72 0.98 0.00 0.00 173.24 175.15 2k8d s PHE 90 N -0.53 0.98 0.00 5.02 -0.71 0.68 -4.61 117.98 118.80 2k8d s PHE 90 Ca 0.04 -1.28 0.00 0.00 -1.04 0.00 0.00 56.93 54.65 2k8d s PHE 90 Cb -0.06 -0.49 0.00 0.00 -1.21 0.00 0.00 43.02 41.25 2k8d s PHE 90 CO 0.00 -0.59 0.06 2.48 -1.34 0.00 0.00 175.22 175.83 2k8d n TYR 91 N -0.18 0.00 -3.89 3.49 0.18 -1.19 -0.09 117.16 115.48 2k8d n TYR 91 Ca -0.02 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.65 2k8d n TYR 91 Cb 0.65 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.62 2k8d n TYR 91 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2k8d s ASP 92 N -0.76 0.36 0.19 9.48 -1.08 -1.26 -4.61 116.67 118.98 2k8d s ASP 92 Ca 0.00 -1.32 0.04 0.00 -0.52 0.00 0.00 52.55 50.75 2k8d s ASP 92 Cb 0.00 0.82 -0.05 0.00 -1.46 0.00 0.00 42.92 42.23 2k8d s ASP 92 CO 0.00 -1.62 -0.06 0.68 0.52 0.00 0.00 175.17 174.69 2k8d s VAL 93 N -2.33 1.12 0.32 1.11 -7.23 -1.26 -4.85 120.40 107.28 2k8d s VAL 93 Ca 0.21 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 2k8d s VAL 93 Cb -0.04 -2.08 0.29 0.00 0.56 0.00 0.00 36.38 35.11 2k8d s VAL 93 CO 0.15 -0.55 1.88 1.62 -0.31 0.00 0.00 175.10 177.90 2k8d h VAL 94 N 2.63 0.97 0.00 1.32 3.04 -1.91 -3.48 116.25 118.81 2k8d h VAL 94 Ca -0.37 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2k8d h VAL 94 Cb 1.21 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2k8d h VAL 94 CO 0.64 0.17 0.00 -1.20 -1.01 0.00 0.00 177.57 176.17 2k8d n SER 95 N -4.54 0.00 -3.15 3.17 7.64 -1.26 -4.59 113.62 110.88 2k8d n SER 95 Ca 0.16 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.82 2k8d n SER 95 Cb 0.31 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.91 2.07 -0.10 1.43 4.71 -1.26 -4.24 120.64 121.34 2k8d n GLU 96 Ca 0.00 -1.44 -0.20 0.00 -0.01 0.00 0.00 57.16 55.51 2k8d n GLU 96 Cb 0.00 -2.44 -0.08 0.00 -1.01 0.00 0.00 31.44 27.92 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 4.17 0.00 -0.56 -0.32 1.44 -1.26 -4.71 115.22 113.98 2k8d n HIS 97 Ca 0.44 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.17 2k8d n HIS 97 Cb 0.14 -0.73 0.02 0.00 0.12 0.00 0.00 29.99 29.55 2k8d n HIS 97 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2k8d n ASN 98 N -3.73 1.47 -4.34 4.39 5.03 -1.26 -4.24 115.26 112.58 2k8d n ASN 98 Ca -0.39 -1.97 -0.29 0.00 0.87 0.00 0.00 54.58 52.80 2k8d n ASN 98 Cb 0.80 -0.09 -0.14 0.00 -1.02 0.00 0.00 39.78 39.33 2k8d n ASN 98 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2k8d s ILE 99 N -1.03 2.08 0.05 2.41 -1.16 -1.26 -0.12 121.20 122.17 2k8d s ILE 99 Ca 0.06 -1.45 0.09 0.00 -0.51 0.00 0.00 60.65 58.84 2k8d s ILE 99 Cb 0.05 -1.80 -0.03 0.00 0.61 0.00 0.00 42.46 41.29 2k8d s ILE 99 CO 0.01 0.27 -0.26 -0.75 -2.81 0.00 0.00 174.94 171.39 2k8d s LYS 100 N -1.43 1.76 0.12 3.50 2.36 0.77 -4.43 119.74 122.40 2k8d s LYS 100 Ca 0.11 -1.13 0.04 0.00 -2.55 0.00 0.00 55.97 52.45 2k8d s LYS 100 Cb -0.10 -1.97 -0.04 0.00 -1.05 0.00 0.00 37.83 34.68 2k8d s LYS 100 CO 0.03 0.51 -0.11 -0.51 1.55 0.00 0.00 175.35 176.82 2k8d s LEU 101 N -1.31 2.46 0.01 5.43 1.02 -1.26 -1.90 118.68 123.13 2k8d s LEU 101 Ca 0.12 -0.90 0.02 0.00 0.02 0.00 0.00 54.13 53.39 2k8d s LEU 101 Cb -0.10 -0.37 -0.01 0.00 0.02 0.00 0.00 46.19 45.73 2k8d s LEU 101 CO 0.02 -0.27 -0.07 -0.13 0.02 0.00 0.00 176.35 175.92 2k8d s ARG 102 N -3.18 0.52 -0.07 1.70 3.00 -1.25 -4.97 118.95 114.70 2k8d s ARG 102 Ca 0.11 -0.38 0.03 0.00 0.00 0.00 0.00 55.73 55.48 2k8d s ARG 102 Cb -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 34.95 34.50 2k8d s ARG 102 CO 0.01 0.11 -0.15 -2.00 0.00 0.00 0.00 175.30 173.27 2k8d s GLU 103 N -0.57 1.96 0.03 3.54 2.12 -1.26 -0.65 118.70 123.87 2k8d s GLU 103 Ca -0.01 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2k8d s GLU 103 Cb -0.05 -1.59 -0.00 0.00 0.26 0.00 0.00 34.13 32.76 2k8d s GLU 103 CO 0.00 0.09 0.04 -3.47 -0.54 0.00 0.00 175.26 171.38 2k8d n ASP 104 N 3.66 -0.11 -0.26 -1.70 2.03 0.45 -4.98 116.55 115.65 2k8d n ASP 104 Ca -0.21 -1.21 0.02 0.00 0.52 0.00 0.00 54.79 53.91 2k8d n ASP 104 Cb 0.52 0.22 0.05 0.00 -0.72 0.00 0.00 41.12 41.19 2k8d n ASP 104 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2k8d n ARG 105 N -0.06 1.94 -0.02 -0.67 1.85 -1.26 -0.65 116.66 117.79 2k8d n ARG 105 Ca 0.00 -1.45 0.00 0.00 -1.00 0.00 0.00 57.85 55.40 2k8d n ARG 105 Cb 0.06 -1.11 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 2k8d n ARG 105 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2k8d n SER 106 N 0.05 1.01 0.00 2.89 7.64 -1.26 -0.32 113.62 123.64 2k8d n SER 106 Ca 0.04 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2k8d n SER 106 Cb 0.27 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2k8d n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8d n LEU 107 N 1.01 0.10 0.00 -3.43 -0.00 -1.26 -4.93 117.00 108.50 2k8d n LEU 107 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 2k8d n LEU 107 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 2k8d n LEU 107 CO 0.00 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.02 2k8d n GLY 108 N 0.25 0.77 0.00 1.47 0.00 0.57 -5.00 105.19 103.24 2k8d n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.26 0.00 -3.37 1.61 2.81 -1.10 -5.11 117.12 110.71 2k8d n MET 109 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 2k8d n MET 109 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 2k8d n MET 109 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2k8d s VAL 110 N 0.00 -0.56 -0.16 2.03 0.11 -1.26 -4.41 120.40 116.15 2k8d s VAL 110 Ca 0.00 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2k8d s VAL 110 Cb 0.00 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 2k8d s VAL 110 CO 0.00 -0.14 -0.17 -0.60 -3.33 0.00 0.00 175.10 170.86 2k8d s ARG 111 N 2.51 3.13 0.04 1.54 3.52 0.18 -3.37 118.95 126.51 2k8d s ARG 111 Ca 0.12 -0.79 0.07 0.00 -0.13 0.00 0.00 55.73 55.00 2k8d s ARG 111 Cb -0.15 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2k8d s ARG 111 CO -0.16 -0.04 -0.19 0.00 -0.81 0.00 0.00 175.30 174.11 2k8d s GLU 113 N -1.10 3.27 -0.18 0.00 -1.05 0.18 -0.34 118.70 119.48 2k8d s GLU 113 Ca 0.06 1.04 -0.03 0.00 -0.15 0.00 0.00 54.97 55.88 2k8d s GLU 113 Cb -0.08 -2.03 0.06 0.00 -0.44 0.00 0.00 34.13 31.63 2k8d s GLU 113 CO 0.01 -0.84 0.05 0.08 0.95 0.00 0.00 175.26 175.52 2k8d s VAL 114 N -2.77 0.29 0.05 1.83 1.01 0.11 -3.87 120.40 117.06 2k8d s VAL 114 Ca 0.60 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2k8d s VAL 114 Cb -0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2k8d s VAL 114 CO 0.45 -0.20 -0.08 -0.76 0.00 0.00 0.00 175.10 174.51 2k8d s LEU 115 N 1.97 2.27 -0.43 3.92 1.02 -0.80 -1.33 118.68 125.29 2k8d s LEU 115 Ca 0.00 -0.58 -0.28 0.00 0.02 0.00 0.00 54.13 53.29 2k8d s LEU 115 Cb -0.16 -0.17 -0.00 0.00 0.02 0.00 0.00 46.19 45.88 2k8d s LEU 115 CO -0.08 -0.22 1.57 0.00 0.02 0.00 0.00 176.35 177.64 2k8d h ALA 117 N 11.82 2.12 0.00 0.00 0.00 -0.78 -0.16 119.26 132.26 2k8d h ALA 117 Ca -0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k8d h ALA 117 Cb 1.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k8d h ALA 117 CO 1.10 -0.16 -0.03 -0.09 0.00 0.00 0.00 179.25 180.07 2k8d h ARG 118 N 0.02 0.00 0.00 0.00 9.65 -1.88 -3.41 114.38 118.76 2k8d h ARG 118 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k8d h ARG 118 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2k8d h ARG 118 CO -0.00 0.03 0.00 0.00 2.80 0.00 0.00 179.97 182.80 2k8d n ASP 120 N 0.00 0.00 -4.82 0.00 5.68 -0.24 -4.83 116.55 112.34 2k8d n ASP 120 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 54.79 54.07 2k8d n ASP 120 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 2k8d n ASP 120 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k8d s ALA 121 N 0.00 3.79 0.00 2.12 0.00 -1.26 -4.95 121.76 121.46 2k8d s ALA 121 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 2k8d s ALA 121 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2k8d s ALA 121 CO 0.00 -0.03 0.30 0.72 0.00 0.00 0.00 175.76 176.75 2k8d n HIS 122 N -1.35 0.00 0.00 0.00 8.25 -1.26 -3.87 115.22 117.00 2k8d n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2k8d n HIS 122 Cb 0.61 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2k8d n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2k8d n LEU 123 N -1.06 0.00 0.00 2.41 4.77 -1.24 -4.74 117.00 117.14 2k8d n LEU 123 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k8d n LEU 123 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k8d n LEU 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k8d n GLY 124 N 0.00 -0.90 3.47 -0.72 0.00 -0.44 -0.22 105.19 106.37 2k8d n GLY 124 Ca 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.45 2k8d n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k8d s HIS 125 N 0.00 1.22 0.03 1.61 3.76 -0.49 -0.71 115.29 120.72 2k8d s HIS 125 Ca 0.00 -1.40 0.04 0.00 -0.15 0.00 0.00 55.06 53.56 2k8d s HIS 125 Cb 0.00 -0.17 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 2k8d s HIS 125 CO 0.00 -1.14 -0.13 0.54 -0.85 0.00 0.00 174.74 173.16 2k8d s VAL 126 N -2.95 1.00 0.12 -0.90 0.11 0.54 -0.30 120.40 118.02 2k8d s VAL 126 Ca 0.32 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 2k8d s VAL 126 Cb -0.00 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2k8d s VAL 126 CO 0.23 0.02 -0.04 0.72 -3.33 0.00 0.00 175.10 172.70 2k8d s PHE 127 N -0.76 0.97 -0.18 1.54 -0.71 0.21 -1.53 117.98 117.52 2k8d s PHE 127 Ca 0.01 -0.97 -0.29 0.00 -1.04 0.00 0.00 56.93 54.63 2k8d s PHE 127 Cb -0.07 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.16 2k8d s PHE 127 CO 0.01 -0.20 1.45 0.34 -1.34 0.00 0.00 175.22 175.47 2k8d s ASP 128 N -3.08 6.69 0.00 1.98 2.15 -1.22 0.20 116.67 123.40 2k8d s ASP 128 Ca 0.16 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.84 2k8d s ASP 128 Cb 0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2k8d s ASP 128 CO -0.02 -0.98 0.00 -0.67 -0.17 0.00 0.00 175.17 173.33 2k8d n ASP 129 N 7.39 0.00 -4.84 -0.34 -0.08 -0.32 -4.88 116.55 113.48 2k8d n ASP 129 Ca 0.16 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.12 2k8d n ASP 129 Cb 0.45 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.89 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 -0.89 2.00 0.20 0.27 0.00 0.47 -4.95 107.32 104.41 2k8d s GLY 130 Ca 0.00 0.17 0.24 0.00 0.00 0.00 0.00 44.72 45.13 2k8d s GLY 130 CO 0.00 0.45 1.74 -1.55 0.00 0.00 0.00 173.10 173.74 2k8d n PRO 131 N -1.87 0.19 0.00 2.90 -0.04 -1.26 -4.39 135.00 130.53 2k8d n PRO 131 Ca 0.07 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2k8d n PRO 131 Cb 0.54 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2k8d n PRO 131 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k8d n ARG 132 N -2.14 0.00 0.33 0.54 1.85 -1.26 -4.90 116.66 111.08 2k8d n ARG 132 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.74 2k8d n ARG 132 Cb 0.32 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.65 2k8d n ARG 132 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2k8d h PRO 133 N 0.00 -0.82 0.00 2.89 0.13 -1.96 -3.40 132.00 128.84 2k8d h PRO 133 Ca 0.00 0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2k8d h PRO 133 Cb 0.00 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 2k8d h PRO 133 CO 0.00 -0.51 -0.25 1.79 -0.23 0.00 0.00 178.00 178.81 2k8d h THR 134 N -1.10 0.68 0.00 1.56 1.35 -1.95 -3.47 112.91 109.98 2k8d h THR 134 Ca -0.09 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2k8d h THR 134 Cb 0.70 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2k8d h THR 134 CO 0.14 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2k8d n GLY 135 N -0.08 1.79 3.52 5.82 0.00 -1.26 -4.97 105.19 110.00 2k8d n GLY 135 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.08 1.89 -0.28 1.61 -2.85 -1.26 -0.40 119.74 118.38 2k8d s LYS 136 Ca 0.00 -1.25 0.02 0.00 -1.00 0.00 0.00 55.97 53.74 2k8d s LYS 136 Cb 0.00 -2.11 0.08 0.00 -2.06 0.00 0.00 37.83 33.73 2k8d s LYS 136 CO 0.00 0.45 -0.02 0.50 0.10 0.00 0.00 175.35 176.38 2k8d s ARG 137 N -2.52 1.67 0.18 1.78 6.06 0.13 -4.37 118.95 121.88 2k8d s ARG 137 Ca 0.22 -1.37 -0.30 0.00 -2.50 0.00 0.00 55.73 51.78 2k8d s ARG 137 Cb -0.09 -2.80 -0.08 0.00 0.06 0.00 0.00 34.95 32.03 2k8d s ARG 137 CO 0.13 -0.73 1.30 0.71 -2.50 0.00 0.00 175.30 174.20 2k8d s TYR 138 N 1.18 3.28 -0.03 5.12 1.51 0.87 -0.62 117.35 128.67 2k8d s TYR 138 Ca -0.00 1.23 -0.01 0.00 -1.01 0.00 0.00 57.07 57.28 2k8d s TYR 138 Cb -0.19 -3.58 0.03 0.00 -0.11 0.00 0.00 41.96 38.11 2k8d s TYR 138 CO -0.08 -1.81 0.05 0.00 -1.11 0.00 0.00 175.55 172.60 2k8d s MET 140 N 1.16 0.92 -0.29 0.00 0.23 -0.61 -1.39 119.30 119.32 2k8d s MET 140 Ca -0.08 -0.84 -0.04 0.00 -1.03 0.00 0.00 55.69 53.70 2k8d s MET 140 Cb -0.13 -0.95 0.10 0.00 -1.53 0.00 0.00 34.83 32.33 2k8d s MET 140 CO -0.04 0.23 0.13 -0.80 -2.03 0.00 0.00 175.02 172.51 2k8d s ASN 141 N -1.36 3.58 0.17 -1.18 0.01 0.69 -4.68 114.94 112.16 2k8d s ASN 141 Ca 0.01 -1.32 -0.00 0.00 -0.71 0.00 0.00 52.86 50.83 2k8d s ASN 141 Cb -0.09 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 2k8d s ASN 141 CO 0.02 -0.44 0.07 -0.94 -1.51 0.00 0.00 177.10 174.30 2k8d s SER 142 N 2.06 0.45 0.18 -1.22 1.04 -1.26 -3.63 113.70 111.32 2k8d s SER 142 Ca 0.09 -1.27 0.24 0.00 0.48 0.00 0.00 55.95 55.49 2k8d s SER 142 Cb -0.16 0.29 0.91 0.00 0.10 0.00 0.00 66.02 67.15 2k8d s SER 142 CO -0.36 -0.74 1.72 0.00 0.98 0.00 0.00 173.24 174.84 2k8d n ALA 143 N -0.19 1.93 1.92 5.32 0.00 -1.26 -4.17 120.51 124.06 2k8d n ALA 143 Ca -0.03 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2k8d n ALA 143 Cb 0.64 -1.40 0.88 0.00 0.00 0.00 0.00 19.45 19.57 2k8d n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k8d n ALA 144 N -1.71 2.67 -1.10 0.00 0.00 -1.26 -4.65 120.51 114.46 2k8d n ALA 144 Ca 0.04 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 2k8d n ALA 144 Cb 0.30 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 2k8d n ALA 144 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k8d n LEU 145 N -0.81 6.57 -4.77 0.00 4.77 -1.26 -0.62 117.00 120.88 2k8d n LEU 145 Ca 0.23 -3.61 -0.38 0.00 -0.03 0.00 0.00 56.01 52.23 2k8d n LEU 145 Cb 0.15 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 39.77 2k8d n LEU 145 CO 0.18 1.79 0.83 -0.75 -1.33 0.00 0.00 177.39 178.11 2k8d s LYS 146 N 1.55 3.95 0.45 3.23 2.20 -1.17 -4.89 119.74 125.07 2k8d s LYS 146 Ca 0.67 1.79 -0.10 0.00 -0.36 0.00 0.00 55.97 57.96 2k8d s LYS 146 Cb 0.25 -2.56 -0.06 0.00 -1.51 0.00 0.00 37.83 33.95 2k8d s LYS 146 CO -0.02 -0.39 0.81 -0.06 -0.36 0.00 0.00 175.35 175.33 2k8d s PHE 147 N -1.48 3.50 0.13 4.03 0.40 -1.26 -0.44 117.98 122.86 2k8d s PHE 147 Ca 0.60 1.05 0.01 0.00 -0.60 0.00 0.00 56.93 57.98 2k8d s PHE 147 Cb -0.29 -2.46 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 2k8d s PHE 147 CO 0.36 -0.21 -0.01 0.96 0.70 0.00 0.00 175.22 177.02 2k8d s ILE 148 N -2.54 0.49 1.16 0.64 -4.36 0.13 -4.78 121.20 111.94 2k8d s ILE 148 Ca 0.51 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 2k8d s ILE 148 Cb -0.10 -1.92 0.28 0.00 1.25 0.00 0.00 42.46 41.97 2k8d s ILE 148 CO 0.36 -0.64 1.03 -2.16 0.24 0.00 0.00 174.94 173.78 2k8d s PRO 149 N -3.93 -0.86 0.25 0.37 0.04 -1.26 -1.03 135.00 128.58 2k8d s PRO 149 Ca 0.19 0.93 0.18 0.00 0.04 0.00 0.00 61.00 62.34 2k8d s PRO 149 Cb 0.06 -1.55 0.86 0.00 0.04 0.00 0.00 34.50 33.92 2k8d s PRO 149 CO -0.00 -3.71 0.92 0.54 0.04 0.00 0.00 177.00 174.78 2k8d n ARG 150 N -4.92 -0.02 0.04 4.56 5.12 -1.26 -4.01 116.66 116.16 2k8d n ARG 150 Ca 0.04 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 2k8d n ARG 150 Cb 0.54 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 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 -3.92 -0.69 -2.80 0.55 -0.08 -1.26 -4.59 116.55 103.75 2k8d n ASP 151 Ca 0.24 0.47 -0.10 0.00 -1.51 0.00 0.00 54.79 53.88 2k8d n ASP 151 Cb 0.90 0.98 0.05 0.00 2.34 0.00 0.00 41.12 45.39 2k8d n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k8d n GLN 152 N -2.89 0.86 0.00 -0.67 1.13 -1.26 -4.86 117.38 109.67 2k8d n GLN 152 Ca 0.00 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.06 2k8d n GLN 152 Cb 0.00 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.03 2k8d n GLN 152 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2k8d n ILE 153 N 1.17 0.00 -1.97 5.09 -6.64 -1.26 -5.18 119.36 110.57 2k8d n ILE 153 Ca 0.10 -0.46 0.00 0.00 -1.77 0.00 0.00 62.75 60.62 2k8d n ILE 153 Cb 0.64 1.06 0.00 0.00 -1.44 0.00 0.00 39.64 39.91 2k8d n ILE 153 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39