#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 1.83 -0.16 -0.61 -4.36 -1.26 -5.13 121.20 111.51 2kma s ILE -4 Ca 0.00 -1.46 -0.00 0.00 -0.26 0.00 0.00 60.65 58.93 2kma s ILE -4 Cb 0.00 -1.62 -0.00 0.00 1.25 0.00 0.00 42.46 42.08 2kma s ILE -4 CO 0.00 0.09 -0.14 1.51 0.24 0.00 0.00 174.94 176.64 2kma s ASP -3 N -1.64 3.74 0.58 4.36 -4.77 -1.26 -5.12 116.67 112.56 2kma s ASP -3 Ca 0.09 -0.46 -0.10 0.00 -3.30 0.00 0.00 52.55 48.78 2kma s ASP -3 Cb -0.10 -1.58 -0.04 0.00 -1.09 0.00 0.00 42.92 40.11 2kma s ASP -3 CO 0.04 0.08 0.97 -2.16 0.70 0.00 0.00 175.17 174.79 2kma s PRO -2 N 0.87 3.59 -1.48 2.11 0.05 -1.26 -4.96 135.00 133.94 2kma s PRO -2 Ca -0.04 0.63 -0.12 0.00 0.05 0.00 0.00 61.00 61.52 2kma s PRO -2 Cb -0.15 -2.15 0.03 0.00 0.05 0.00 0.00 34.50 32.27 2kma s PRO -2 CO -0.01 -0.48 2.39 0.34 0.05 0.00 0.00 177.00 179.30 2kma n PHE -1 N -2.61 3.12 -2.54 0.56 7.35 -1.26 -4.94 117.46 117.14 2kma n PHE -1 Ca 0.05 -2.98 0.00 0.00 -0.76 0.00 0.00 57.45 53.76 2kma n PHE -1 Cb 0.54 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.94 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2kma n THR 0 N 4.31 0.00 -1.33 -2.13 -2.24 -1.26 -2.42 114.28 109.22 2kma n THR 0 Ca 0.58 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 62.06 2kma n THR 0 Cb 0.34 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.62 2kma n THR 0 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kma n MET 1 N 0.00 2.44 -0.14 -0.78 0.00 -1.26 -3.55 117.12 113.83 2kma n MET 1 Ca 0.00 -2.79 0.03 0.00 -0.00 0.00 0.00 57.70 54.94 2kma n MET 1 Cb 0.00 -2.10 0.05 0.00 0.00 0.00 0.00 33.22 31.17 2kma n MET 1 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2kma n VAL 2 N -0.36 0.87 -3.09 1.12 0.24 -1.02 -4.96 118.33 111.13 2kma n VAL 2 Ca 0.52 -0.99 -0.45 0.00 -2.04 0.00 0.00 64.34 61.38 2kma n VAL 2 Cb 0.56 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.26 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -1.19 3.67 -0.17 2.33 0.00 -1.14 -3.86 121.76 121.40 2kma s ALA 3 Ca 0.10 -3.00 -0.15 0.00 0.00 0.00 0.00 51.96 48.91 2kma s ALA 3 Cb 0.09 -3.84 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 2kma s ALA 3 CO 0.01 -2.70 0.63 1.28 0.00 0.00 0.00 175.76 174.98 2kma n LEU 4 N 5.49 0.33 -4.40 0.00 4.32 0.04 -4.42 117.00 118.36 2kma n LEU 4 Ca 0.20 0.32 -0.44 0.00 -0.02 0.00 0.00 56.01 56.07 2kma n LEU 4 Cb 0.48 -0.30 -0.05 0.00 -1.62 0.00 0.00 43.42 41.93 2kma n LEU 4 CO 0.44 -0.27 0.40 -0.44 -1.22 0.00 0.00 177.39 176.29 2kma s SER 5 N 1.51 6.19 -0.06 -1.43 0.01 -1.26 -1.04 113.70 117.62 2kma s SER 5 Ca 0.38 -1.28 0.03 0.00 1.31 0.00 0.00 55.95 56.39 2kma s SER 5 Cb -0.51 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.39 2kma s SER 5 CO 0.25 -1.07 -0.13 -0.76 0.41 0.00 0.00 173.24 171.95 2kma s LEU 6 N 2.72 2.81 -0.53 2.44 1.43 0.11 -1.25 118.68 126.42 2kma s LEU 6 Ca 0.13 -0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 52.79 2kma s LEU 6 Cb -0.23 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2kma s LEU 6 CO 0.08 0.34 1.05 -0.54 0.23 0.00 0.00 176.35 177.51 2kma s LYS 7 N -0.69 3.50 -0.67 1.70 1.02 -0.49 -1.39 119.74 122.72 2kma s LYS 7 Ca 0.10 0.13 -0.24 0.00 0.02 0.00 0.00 55.97 55.98 2kma s LYS 7 Cb -0.11 -3.99 0.05 0.00 -0.52 0.00 0.00 37.83 33.26 2kma s LYS 7 CO 0.01 -1.48 1.07 0.42 -0.92 0.00 0.00 175.35 174.45 2kma s ILE 8 N 4.31 4.13 -0.20 2.17 -1.09 0.28 0.47 121.20 131.28 2kma s ILE 8 Ca 0.39 -0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.61 2kma s ILE 8 Cb -0.09 -4.75 -0.03 0.00 -1.58 0.00 0.00 42.46 36.01 2kma s ILE 8 CO 0.25 -1.55 0.51 -0.55 -1.23 0.00 0.00 174.94 172.37 2kma s SER 9 N 3.59 6.56 -0.55 3.58 0.15 -0.88 0.01 113.70 126.17 2kma s SER 9 Ca 0.28 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.64 2kma s SER 9 Cb -0.13 -2.29 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 2kma s SER 9 CO 0.13 -0.17 0.34 -0.63 1.20 0.00 0.00 173.24 174.11 2kma s ILE 10 N 1.59 2.19 0.00 6.45 1.01 0.90 -0.98 121.20 132.36 2kma s ILE 10 Ca 0.24 -3.38 0.00 0.00 0.00 0.00 0.00 60.65 57.51 2kma s ILE 10 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2kma s ILE 10 CO 0.10 -0.93 0.00 0.61 0.00 0.00 0.00 174.94 174.72 2kma n GLY 11 N 2.83 1.79 0.56 6.18 0.00 -1.26 -3.09 105.19 112.20 2kma n GLY 11 Ca 0.13 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 2kma n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kma n ASN 12 N 4.61 1.32 -4.75 1.61 5.15 -1.26 -5.04 115.26 116.90 2kma n ASN 12 Ca 0.00 0.06 -0.36 0.00 -0.60 0.00 0.00 54.58 53.68 2kma n ASN 12 Cb 0.00 -0.21 0.04 0.00 -0.53 0.00 0.00 39.78 39.08 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kma s VAL 13 N -2.15 2.48 -0.07 3.44 0.11 -1.18 -5.04 120.40 117.99 2kma s VAL 13 Ca -0.11 0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.22 2kma s VAL 13 Cb 0.04 -3.11 0.03 0.00 -1.53 0.00 0.00 36.38 31.80 2kma s VAL 13 CO 0.16 -0.07 0.01 0.54 -3.33 0.00 0.00 175.10 172.41 2kma s VAL 14 N -1.55 0.32 0.04 2.04 0.11 -1.26 -0.07 120.40 120.04 2kma s VAL 14 Ca 0.79 0.15 0.06 0.00 -2.93 0.00 0.00 61.98 60.04 2kma s VAL 14 Cb -0.32 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2kma s VAL 14 CO 0.35 0.25 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.71 2kma s LYS 15 N 1.92 2.27 -0.29 1.54 -0.14 0.10 -4.90 119.74 120.25 2kma s LYS 15 Ca 0.04 -0.90 -0.13 0.00 -1.36 0.00 0.00 55.97 53.62 2kma s LYS 15 Cb -0.12 -2.34 -0.04 0.00 -1.68 0.00 0.00 37.83 33.65 2kma s LYS 15 CO -0.05 0.55 0.28 0.99 -0.76 0.00 0.00 175.35 176.37 2kma s THR 16 N -1.03 5.24 0.06 2.17 2.01 -1.26 0.10 115.64 122.93 2kma s THR 16 Ca 0.17 0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.50 2kma s THR 16 Cb -0.11 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2kma s THR 16 CO 0.08 0.16 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.01 2kma s MET 17 N 1.91 0.77 -0.03 4.92 -1.94 -0.49 -4.97 119.30 119.47 2kma s MET 17 Ca 0.11 -0.89 0.04 0.00 -1.71 0.00 0.00 55.69 53.24 2kma s MET 17 Cb -0.16 -0.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.92 2kma s MET 17 CO 0.11 0.16 -0.14 -0.65 -0.01 0.00 0.00 175.02 174.49 2kma s GLN 18 N -1.63 2.43 0.11 2.03 -0.21 -1.25 0.04 119.66 121.19 2kma s GLN 18 Ca -0.03 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.63 2kma s GLN 18 Cb -0.10 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2kma s GLN 18 CO 0.02 0.61 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.66 2kma s PHE 19 N -0.79 0.99 0.50 0.91 0.40 -0.21 -4.95 117.98 114.84 2kma s PHE 19 Ca 0.13 -0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 55.42 2kma s PHE 19 Cb -0.11 -0.55 -0.07 0.00 0.51 0.00 0.00 43.02 42.80 2kma s PHE 19 CO 0.02 -0.07 1.09 -1.21 0.70 0.00 0.00 175.22 175.75 2kma s GLU 20 N -3.59 3.63 0.53 0.44 8.01 -1.26 -0.78 118.70 125.67 2kma s GLU 20 Ca 0.11 1.53 0.35 0.00 0.01 0.00 0.00 54.97 56.97 2kma s GLU 20 Cb 0.03 -2.12 1.51 0.00 -4.31 0.00 0.00 34.13 29.23 2kma s GLU 20 CO -0.03 -0.61 1.81 -1.35 0.01 0.00 0.00 175.26 175.09 2kma h PRO 21 N 1.53 0.03 0.00 0.39 0.11 -1.96 -2.95 132.00 129.16 2kma h PRO 21 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kma h PRO 21 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kma h PRO 21 CO 0.58 0.02 0.00 0.43 -0.21 0.00 0.00 178.00 178.83 2kma n SER 22 N -4.23 0.00 0.00 -2.05 7.64 -1.26 -1.48 113.62 112.24 2kma n SER 22 Ca 0.25 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2kma n SER 22 Cb 1.19 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 2kma n SER 22 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kma n THR 23 N -1.39 0.00 0.00 0.44 -1.04 -1.11 -1.65 114.28 109.53 2kma n THR 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kma n THR 23 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2kma n THR 23 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kma n MET 24 N 0.00 0.00 -0.31 -2.82 1.56 -1.26 -4.38 117.12 109.91 2kma n MET 24 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.41 2kma n MET 24 Cb 0.00 0.00 0.04 0.00 2.15 0.00 0.00 33.22 35.41 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma h VAL 25 N 0.00 0.08 -0.15 1.12 2.07 -1.77 0.25 116.25 117.84 2kma h VAL 25 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2kma h VAL 25 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2kma h VAL 25 CO 0.00 0.00 -0.10 0.10 0.02 0.00 0.00 177.57 177.59 2kma h TYR 26 N -0.06 0.24 0.01 1.57 -0.00 -1.88 0.12 116.97 116.97 2kma h TYR 26 Ca 0.31 -0.02 -0.26 0.00 -0.00 0.00 0.00 58.73 58.77 2kma h TYR 26 Cb 0.59 -0.07 0.02 0.00 -0.00 0.00 0.00 36.73 37.27 2kma h TYR 26 CO -0.77 0.33 -1.01 0.22 -0.00 0.00 0.00 178.16 176.94 2kma h ASP 27 N 0.22 0.86 -0.63 0.10 3.58 -0.98 -3.15 116.42 116.42 2kma h ASP 27 Ca 0.05 -0.75 0.01 0.00 0.42 0.00 0.00 57.03 56.76 2kma h ASP 27 Cb 0.32 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2kma h ASP 27 CO 0.02 1.50 0.41 0.00 -2.88 0.00 0.00 179.24 178.29 2kma h ALA 28 N 0.37 0.80 -0.63 -0.78 0.00 -0.10 -2.72 119.26 116.21 2kma h ALA 28 Ca -0.13 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2kma h ALA 28 Cb 1.67 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2kma h ALA 28 CO 0.20 0.20 0.43 0.00 0.00 0.00 0.00 179.25 180.08 2kma h ARG 30 N 0.39 0.36 0.18 0.00 0.11 -1.44 -3.10 114.38 110.87 2kma h ARG 30 Ca 0.30 -0.50 -0.30 0.00 0.10 0.00 0.00 59.98 59.58 2kma h ARG 30 Cb 0.65 0.17 0.03 0.00 1.11 0.00 0.00 29.97 31.93 2kma h ARG 30 CO -0.08 1.19 -1.29 0.52 0.10 0.00 0.00 179.97 180.41 2kma h MET 31 N 0.15 0.56 -0.32 0.08 2.86 -1.31 -3.08 114.93 113.87 2kma h MET 31 Ca -0.12 -0.84 -0.01 0.00 -2.06 0.00 0.00 59.70 56.67 2kma h MET 31 Cb 1.81 0.29 -0.01 0.00 0.06 0.00 0.00 31.60 33.75 2kma h MET 31 CO 0.19 1.39 0.15 0.97 1.06 0.00 0.00 176.91 180.67 2kma h ILE 32 N 0.14 1.16 0.00 -1.22 2.10 -1.14 -1.21 117.51 117.35 2kma h ILE 32 Ca -0.21 -0.47 -0.02 0.00 1.08 0.00 0.00 64.86 65.24 2kma h ILE 32 Cb 1.98 0.89 -0.00 0.00 -1.09 0.00 0.00 36.82 38.60 2kma h ILE 32 CO 0.24 0.17 -0.07 0.03 -1.08 0.00 0.00 178.15 177.44 2kma h ARG 33 N 0.37 0.00 0.57 2.19 3.08 -1.66 0.40 114.38 119.32 2kma h ARG 33 Ca 0.11 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2kma h ARG 33 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.19 2kma h ARG 33 CO -0.01 0.07 -0.27 1.49 -1.07 0.00 0.00 179.97 180.18 2kma h GLU 34 N 0.00 -0.74 0.20 0.04 4.57 -1.14 -3.36 114.58 114.16 2kma h GLU 34 Ca -0.00 0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.93 2kma h GLU 34 Cb 0.16 0.17 0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2kma h GLU 34 CO 0.01 -0.43 -1.38 0.07 -1.18 0.00 0.00 179.01 176.10 2kma h ARG 35 N -1.07 0.41 -4.50 1.92 -0.00 -1.39 -3.44 114.38 106.31 2kma h ARG 35 Ca -0.08 -0.71 -0.72 0.00 -0.00 0.00 0.00 59.98 58.48 2kma h ARG 35 Cb 0.65 0.26 -0.23 0.00 -0.00 0.00 0.00 29.97 30.65 2kma h ARG 35 CO 0.13 1.34 -0.45 0.42 -0.00 0.00 0.00 179.97 181.41 2kma s ILE 36 N -2.54 4.93 -0.13 0.08 1.01 0.14 -4.94 121.20 119.74 2kma s ILE 36 Ca -0.13 -0.85 0.23 0.00 0.00 0.00 0.00 60.65 59.90 2kma s ILE 36 Cb 0.04 -3.80 0.25 0.00 0.01 0.00 0.00 42.46 38.96 2kma s ILE 36 CO 0.87 -0.34 1.69 1.55 0.00 0.00 0.00 174.94 178.71 2kma h PRO 37 N 8.56 0.00 0.00 2.79 0.13 -1.80 -3.16 132.00 138.52 2kma h PRO 37 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2kma h PRO 37 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.73 0.18 -0.18 0.93 -0.23 0.00 0.00 178.00 179.44 2kma h GLU 38 N 0.00 0.00 -0.89 0.86 3.07 -1.93 -2.82 114.58 112.87 2kma h GLU 38 Ca -0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 2kma h GLU 38 Cb 0.95 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.81 2kma h GLU 38 CO 0.02 0.18 0.58 0.00 -1.40 0.00 0.00 179.01 178.39 2kma h ALA 39 N 1.82 1.16 -0.77 3.43 0.00 -1.88 -2.60 119.26 120.43 2kma h ALA 39 Ca -0.00 -0.05 -0.44 0.00 0.00 0.00 0.00 54.91 54.42 2kma h ALA 39 Cb 0.34 -0.33 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 2kma h ALA 39 CO 0.02 0.48 0.57 1.47 0.00 0.00 0.00 179.25 181.79 2kma n LEU 40 N -4.50 6.34 0.28 0.00 -0.00 -1.06 -4.59 117.00 113.47 2kma n LEU 40 Ca 0.11 -3.38 0.16 0.00 -0.00 0.00 0.00 56.01 52.90 2kma n LEU 40 Cb 0.06 -0.85 0.78 0.00 -0.00 0.00 0.00 43.42 43.41 2kma n LEU 40 CO 0.35 1.08 1.14 0.00 -0.00 0.00 0.00 177.39 179.96 2kma h ALA 41 N 1.42 1.54 -3.00 1.47 0.00 -1.57 -3.42 119.26 115.69 2kma h ALA 41 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2kma h ALA 41 Cb 1.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2kma h ALA 41 CO 0.99 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2kma n GLY 42 N -1.29 5.37 3.63 0.00 0.00 -1.26 -5.09 105.19 106.56 2kma n GLY 42 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 2kma n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kma s PRO 43 N 1.90 3.84 0.57 1.61 0.02 -1.26 -4.88 135.00 136.80 2kma s PRO 43 Ca 0.00 1.78 0.28 0.00 0.02 0.00 0.00 61.00 63.09 2kma s PRO 43 Cb 0.00 -4.04 1.49 0.00 0.02 0.00 0.00 34.50 31.96 2kma s PRO 43 CO 0.00 -1.25 1.94 -1.00 -0.33 0.00 0.00 177.00 176.36 2kma h PRO 44 N 10.70 0.00 0.00 5.54 0.13 -1.95 0.13 132.00 146.56 2kma h PRO 44 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2kma h PRO 44 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kma h PRO 44 CO 0.99 0.00 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.82 2kma h ASN 45 N 0.00 0.00 -0.59 1.44 2.35 -2.01 -2.74 115.58 114.03 2kma h ASN 45 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2kma h ASN 45 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 2kma h ASN 45 CO -0.00 0.03 0.00 0.47 -1.65 0.00 0.00 177.43 176.28 2kma n ASP 46 N -3.12 4.12 -4.38 5.81 8.00 0.47 -4.89 116.55 122.57 2kma n ASP 46 Ca 0.02 -2.32 -0.33 0.00 0.71 0.00 0.00 54.79 52.88 2kma n ASP 46 Cb 0.42 -0.52 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kma s PHE 47 N -1.68 2.73 0.20 1.24 0.08 -1.03 0.99 117.98 120.51 2kma s PHE 47 Ca 0.45 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.98 2kma s PHE 47 Cb 0.28 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.95 2kma s PHE 47 CO 0.23 -0.13 0.16 0.41 -0.10 0.00 0.00 175.22 175.79 2kma n GLY 48 N 3.17 3.39 3.53 4.36 0.00 -0.31 -4.81 105.19 114.51 2kma n GLY 48 Ca -0.18 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2kma n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kma s LEU 49 N 0.00 4.57 -0.18 0.99 1.43 -1.26 -2.22 118.68 122.00 2kma s LEU 49 Ca 0.22 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2kma s LEU 49 Cb 0.01 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2kma s LEU 49 CO 0.16 -0.30 0.00 0.12 0.23 0.00 0.00 176.35 176.56 2kma s PHE 50 N 1.82 3.07 -0.45 0.29 5.36 0.51 0.07 117.98 128.65 2kma s PHE 50 Ca 0.08 -0.31 -0.20 0.00 -0.96 0.00 0.00 56.93 55.54 2kma s PHE 50 Cb -0.17 -2.05 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 2kma s PHE 50 CO 0.11 -0.11 0.63 -1.17 -1.46 0.00 0.00 175.22 173.22 2kma s LEU 51 N 0.71 4.60 0.45 6.12 1.98 0.52 0.22 118.68 133.28 2kma s LEU 51 Ca 0.00 -0.47 0.25 0.00 -2.89 0.00 0.00 54.13 51.02 2kma s LEU 51 Cb -0.14 -2.65 0.52 0.00 0.66 0.00 0.00 46.19 44.58 2kma s LEU 51 CO 0.02 -0.80 1.67 0.28 -1.89 0.00 0.00 176.35 175.64 2kma h SER 52 N 8.90 0.00 0.00 3.68 0.02 -1.85 0.01 113.55 124.31 2kma h SER 52 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2kma h SER 52 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2kma h SER 52 CO 0.90 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.92 2kma n ASP 53 N -3.06 0.00 0.00 3.07 -0.08 -1.26 -3.67 116.55 111.55 2kma n ASP 53 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2kma n ASP 53 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kma n ASP 54 N 1.46 0.00 -4.51 1.67 2.03 -1.26 -4.97 116.55 110.97 2kma n ASP 54 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 2kma n ASP 54 Cb 0.00 0.42 -0.12 0.00 -0.72 0.00 0.00 41.12 40.69 2kma n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma s ASP 55 N -2.38 4.20 0.54 1.67 2.15 -1.24 -5.02 116.67 116.59 2kma s ASP 55 Ca 0.00 -0.19 0.35 0.00 0.43 0.00 0.00 52.55 53.14 2kma s ASP 55 Cb 0.00 -0.91 1.53 0.00 -0.30 0.00 0.00 42.92 43.24 2kma s ASP 55 CO 0.00 0.32 1.83 1.55 -0.17 0.00 0.00 175.17 178.71 2kma h PRO 56 N 5.06 0.00 0.00 4.34 0.13 -1.94 0.27 132.00 139.86 2kma h PRO 56 Ca -0.47 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2kma h PRO 56 Cb 1.16 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2kma h PRO 56 CO 0.51 0.00 -0.64 0.87 -0.23 0.00 0.00 178.00 178.51 2kma h LYS 57 N 0.00 0.00 0.00 0.86 1.79 -1.94 -3.11 116.57 114.18 2kma h LYS 57 Ca 0.52 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.84 2kma h LYS 57 Cb 2.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.70 2kma h LYS 57 CO -0.01 0.64 -0.86 0.87 -1.08 0.00 0.00 179.45 179.01 2kma h LYS 58 N 0.00 0.00 -7.19 3.15 6.56 -0.91 -3.47 116.57 114.72 2kma h LYS 58 Ca -0.01 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 59.06 2kma h LYS 58 Cb 1.42 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 33.21 2kma h LYS 58 CO 0.08 0.51 0.38 0.20 -2.06 0.00 0.00 179.45 178.56 2kma s GLY 59 N -4.61 2.26 0.02 3.86 0.00 -0.01 -4.76 107.32 104.08 2kma s GLY 59 Ca 0.01 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.49 2kma s GLY 59 CO 0.78 1.14 -0.03 -0.26 0.00 0.00 0.00 173.10 174.73 2kma s ILE 60 N -2.13 0.12 -0.21 0.90 -4.36 -0.01 -4.98 121.20 110.53 2kma s ILE 60 Ca 0.71 -0.64 -0.23 0.00 -0.26 0.00 0.00 60.65 60.24 2kma s ILE 60 Cb -0.26 -0.22 -0.02 0.00 1.25 0.00 0.00 42.46 43.22 2kma s ILE 60 CO 0.44 -0.33 0.74 0.26 0.24 0.00 0.00 174.94 176.29 2kma s TRP 61 N -0.99 3.36 -0.47 1.37 0.52 -1.26 -0.36 118.94 121.11 2kma s TRP 61 Ca -0.10 1.05 -0.29 0.00 0.02 0.00 0.00 56.10 56.78 2kma s TRP 61 Cb -0.07 -2.93 0.03 0.00 -1.15 0.00 0.00 33.47 29.35 2kma s TRP 61 CO -0.01 -0.28 1.19 -0.51 0.02 0.00 0.00 176.95 177.37 2kma s LEU 62 N 2.31 3.62 0.61 2.99 1.43 0.11 -4.97 118.68 124.78 2kma s LEU 62 Ca 0.32 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.82 2kma s LEU 62 Cb -0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2kma s LEU 62 CO 0.10 -1.29 1.03 -1.83 0.23 0.00 0.00 176.35 174.58 2kma s GLU 63 N 4.55 3.51 0.17 1.70 -1.05 -1.26 -4.32 118.70 122.00 2kma s GLU 63 Ca 0.50 0.90 0.22 0.00 -0.15 0.00 0.00 54.97 56.44 2kma s GLU 63 Cb -0.08 -2.07 0.88 0.00 -0.44 0.00 0.00 34.13 32.42 2kma s GLU 63 CO 0.32 -0.64 1.67 0.00 0.95 0.00 0.00 175.26 177.56 2kma n ALA 64 N -2.46 1.79 -0.03 -0.84 0.00 -1.26 -2.97 120.51 114.75 2kma n ALA 64 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.57 2kma n ALA 64 Cb 0.54 -1.37 0.23 0.00 0.00 0.00 0.00 19.45 18.86 2kma n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 65 N 0.28 2.21 3.26 0.00 0.00 -1.26 -4.57 105.19 105.11 2kma n GLY 65 Ca 0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2kma n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s LYS 66 N -1.96 1.01 0.59 1.61 0.00 -1.16 -5.14 119.74 114.70 2kma s LYS 66 Ca 0.32 -1.17 0.01 0.00 0.00 0.00 0.00 55.97 55.13 2kma s LYS 66 Cb 0.23 0.34 0.06 0.00 0.00 0.00 0.00 37.83 38.46 2kma s LYS 66 CO 0.11 -0.34 0.83 0.00 0.00 0.00 0.00 175.35 175.94 2kma s ALA 67 N -3.95 3.89 -0.02 0.59 0.00 -1.26 -3.74 121.76 117.27 2kma s ALA 67 Ca 0.15 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 2kma s ALA 67 Cb 0.05 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 2kma s ALA 67 CO -0.03 -0.93 0.59 -0.07 0.00 0.00 0.00 175.76 175.32 2kma h LEU 68 N -0.07 -0.32 -1.22 0.00 3.38 -1.37 -3.28 115.31 112.43 2kma h LEU 68 Ca -0.40 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2kma h LEU 68 Cb 1.29 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2kma h LEU 68 CO 0.48 -0.05 0.00 -0.78 0.09 0.00 0.00 178.44 178.18 2kma h ASP 69 N -0.74 0.00 -0.79 -0.43 3.58 -1.44 -1.95 116.42 114.66 2kma h ASP 69 Ca -0.04 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.60 2kma h ASP 69 Cb 0.29 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 2kma h ASP 69 CO 0.06 0.00 0.54 0.22 -2.88 0.00 0.00 179.24 177.18 2kma h TYR 70 N 0.00 0.34 0.00 0.28 3.20 -1.77 -3.41 116.97 115.61 2kma h TYR 70 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kma h TYR 70 Cb 0.16 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2kma h TYR 70 CO 0.00 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.29 2kma n TYR 71 N -4.44 0.00 0.47 -3.82 4.01 -0.73 -4.96 117.16 107.69 2kma n TYR 71 Ca 0.16 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.00 2kma n TYR 71 Cb 0.67 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.85 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kma n MET 72 N 0.00 2.13 -4.13 -0.72 2.81 -1.26 -5.00 117.12 110.95 2kma n MET 72 Ca 0.00 -1.97 -0.27 0.00 -1.81 0.00 0.00 57.70 53.65 2kma n MET 72 Cb 0.00 -1.42 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 2kma n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kma s LEU 73 N -1.48 3.59 0.00 4.03 0.05 -1.26 -5.07 118.68 118.54 2kma s LEU 73 Ca 0.30 -0.23 0.00 0.00 0.05 0.00 0.00 54.13 54.25 2kma s LEU 73 Cb 0.19 -2.23 0.00 0.00 -2.05 0.00 0.00 46.19 42.10 2kma s LEU 73 CO 0.27 0.09 0.00 -2.11 -0.55 0.00 0.00 176.35 174.04 2kma n ARG 74 N -0.19 0.00 -1.62 1.48 -4.01 -1.26 -4.25 116.66 106.81 2kma n ARG 74 Ca -0.09 0.00 -0.44 0.00 -1.04 0.00 0.00 57.85 56.29 2kma n ARG 74 Cb 0.55 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.93 2kma n ARG 74 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2kma n ASN 75 N 0.00 3.58 0.00 2.89 3.02 -1.26 -2.61 115.26 120.87 2kma n ASN 75 Ca 0.00 0.55 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 2kma n ASN 75 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 2kma n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kma n GLY 76 N 5.23 1.95 3.87 7.41 0.00 -0.38 -4.88 105.19 118.39 2kma n GLY 76 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2kma n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kma s ASP 77 N -1.62 6.29 -0.23 1.61 1.01 -1.07 -4.82 116.67 117.84 2kma s ASP 77 Ca 0.00 1.33 -0.11 0.00 0.71 0.00 0.00 52.55 54.47 2kma s ASP 77 Cb 0.00 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 2kma s ASP 77 CO 0.00 -0.76 0.18 -0.89 0.21 0.00 0.00 175.17 173.91 2kma s THR 78 N -3.00 5.35 -0.17 -1.27 2.01 -1.26 -1.39 115.64 115.91 2kma s THR 78 Ca 0.54 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.79 2kma s THR 78 Cb -0.11 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2kma s THR 78 CO 0.49 0.35 -0.15 -0.32 -0.69 0.00 0.00 174.62 174.29 2kma s MET 79 N 0.97 2.47 -0.14 4.92 1.75 0.18 -3.94 119.30 125.51 2kma s MET 79 Ca 0.09 -0.73 -0.23 0.00 -1.25 0.00 0.00 55.69 53.57 2kma s MET 79 Cb -0.13 -2.34 -0.03 0.00 2.84 0.00 0.00 34.83 35.17 2kma s MET 79 CO 0.04 -0.27 0.70 -2.00 -0.65 0.00 0.00 175.02 172.83 2kma s GLU 80 N 1.39 4.32 -0.53 4.11 2.12 0.13 -2.08 118.70 128.17 2kma s GLU 80 Ca 0.03 0.80 -0.17 0.00 0.36 0.00 0.00 54.97 56.00 2kma s GLU 80 Cb -0.14 -3.52 0.10 0.00 0.26 0.00 0.00 34.13 30.83 2kma s GLU 80 CO -0.11 -0.13 0.55 -0.47 -0.54 0.00 0.00 175.26 174.56 2kma s TYR 81 N 1.51 3.14 0.21 5.30 5.04 -0.15 -0.36 117.35 132.04 2kma s TYR 81 Ca 0.34 -0.99 0.02 0.00 -2.44 0.00 0.00 57.07 54.00 2kma s TYR 81 Cb -0.17 -3.68 -0.05 0.00 0.35 0.00 0.00 41.96 38.42 2kma s TYR 81 CO 0.14 -1.05 0.04 -0.98 -1.34 0.00 0.00 175.55 172.35 2kma s ARG 82 N 2.09 1.24 0.18 4.97 1.70 -0.94 -4.49 118.95 123.70 2kma s ARG 82 Ca 0.08 -1.63 -0.31 0.00 -0.47 0.00 0.00 55.73 53.40 2kma s ARG 82 Cb -0.25 -0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 33.74 2kma s ARG 82 CO 0.06 -0.19 1.43 0.21 -1.08 0.00 0.00 175.30 175.73 2kma s LYS 83 N -3.96 4.29 0.56 3.89 2.20 -1.26 -1.16 119.74 124.30 2kma s LYS 83 Ca 0.30 2.20 0.27 0.00 -0.36 0.00 0.00 55.97 58.37 2kma s LYS 83 Cb 0.07 -3.18 1.48 0.00 -1.51 0.00 0.00 37.83 34.69 2kma s LYS 83 CO 0.08 -0.44 2.01 0.87 -0.36 0.00 0.00 175.35 177.52 2kma h LYS 84 N 6.03 0.00 -6.20 4.03 1.79 0.32 -3.42 116.57 119.12 2kma h LYS 84 Ca -0.44 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.50 2kma h LYS 84 Cb 1.21 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 2kma h LYS 84 CO 0.83 0.00 -0.36 -0.65 -1.08 0.00 0.00 179.45 178.20 2kma s GLN 85 N -4.83 3.50 0.08 3.15 -0.21 -1.26 -0.04 119.66 120.05 2kma s GLN 85 Ca -0.05 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 54.97 2kma s GLN 85 Cb 0.17 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 2kma s GLN 85 CO 0.64 0.41 -0.15 -0.98 -2.12 0.00 0.00 175.29 173.10 2kma s ARG 86 N -3.40 0.87 -0.52 2.91 1.04 0.00 -4.78 118.95 115.08 2kma s ARG 86 Ca 0.37 -1.01 -0.27 0.00 -1.04 0.00 0.00 55.73 53.79 2kma s ARG 86 Cb -0.11 -0.88 -0.04 0.00 -2.04 0.00 0.00 34.95 31.89 2kma s ARG 86 CO 0.29 0.19 2.06 -1.25 -0.04 0.00 0.00 175.30 176.55 2kma s PRO 87 N -1.88 2.56 -0.20 3.89 0.04 -1.26 -2.22 135.00 135.93 2kma s PRO 87 Ca 0.00 1.05 -0.09 0.00 0.04 0.00 0.00 61.00 62.01 2kma s PRO 87 Cb -0.09 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 2kma s PRO 87 CO 0.02 -2.78 0.10 -0.51 0.04 0.00 0.00 177.00 173.87 2kma s LEU 88 N 9.85 3.98 -0.40 -3.56 1.43 0.23 -4.73 118.68 125.47 2kma s LEU 88 Ca 0.81 0.13 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 2kma s LEU 88 Cb -0.16 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.05 2kma s LEU 88 CO 0.25 0.15 0.61 -0.54 0.23 0.00 0.00 176.35 177.05 2kma s LYS 89 N 0.50 3.42 -0.05 1.70 3.01 -1.26 -1.23 119.74 125.83 2kma s LYS 89 Ca 0.05 -0.26 0.05 0.00 -1.01 0.00 0.00 55.97 54.80 2kma s LYS 89 Cb -0.12 -3.89 -0.01 0.00 -1.01 0.00 0.00 37.83 32.80 2kma s LYS 89 CO 0.00 -0.88 -0.21 0.42 0.51 0.00 0.00 175.35 175.19 2kma s ILE 90 N 2.68 1.76 -0.20 2.17 -1.09 -0.38 -0.42 121.20 125.72 2kma s ILE 90 Ca 0.22 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 57.68 2kma s ILE 90 Cb -0.15 -1.50 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 2kma s ILE 90 CO 0.17 0.50 0.02 -0.60 -1.23 0.00 0.00 174.94 173.79 2kma s ARG 91 N -0.02 3.71 0.87 2.79 3.52 -0.33 -1.19 118.95 128.30 2kma s ARG 91 Ca -0.05 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 54.96 2kma s ARG 91 Cb -0.13 -3.13 0.15 0.00 -1.56 0.00 0.00 34.95 30.29 2kma s ARG 91 CO 0.03 0.07 1.21 -1.64 -0.81 0.00 0.00 175.30 174.16 2kma s MET 92 N 0.87 1.19 0.37 5.12 -1.94 0.28 -2.86 119.30 122.34 2kma s MET 92 Ca 0.02 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.59 2kma s MET 92 Cb -0.14 -1.99 0.72 0.00 2.01 0.00 0.00 34.83 35.43 2kma s MET 92 CO 0.02 -1.99 2.01 -0.07 -0.01 0.00 0.00 175.02 174.98 2kma h LEU 93 N -1.24 0.65 -0.23 -0.03 -0.00 -1.86 0.31 115.31 112.91 2kma h LEU 93 Ca -0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2kma h LEU 93 Cb 1.26 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2kma h LEU 93 CO 0.45 0.46 -0.05 0.47 -0.00 0.00 0.00 178.44 179.77 2kma n ASP 94 N -4.46 0.41 0.00 -0.43 8.00 -1.26 -4.84 116.55 113.97 2kma n ASP 94 Ca 0.07 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2kma n ASP 94 Cb 0.09 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kma n GLY 95 N 1.19 0.91 3.65 0.44 0.00 0.11 -5.04 105.19 106.44 2kma n GLY 95 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2kma n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s THR 96 N -2.01 4.31 -0.09 2.61 2.01 -1.22 -4.66 115.64 116.58 2kma s THR 96 Ca 0.00 1.56 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2kma s THR 96 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2kma s THR 96 CO 0.00 -0.24 -0.08 0.54 -0.69 0.00 0.00 174.62 174.15 2kma s VAL 97 N 3.68 3.55 0.05 3.82 0.11 -1.26 0.10 120.40 130.46 2kma s VAL 97 Ca 0.53 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2kma s VAL 97 Cb -0.19 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 2kma s VAL 97 CO 0.15 0.56 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.86 2kma s LYS 98 N -0.36 0.60 -0.36 1.54 -2.85 -0.33 -4.98 119.74 113.00 2kma s LYS 98 Ca 0.05 -1.15 -0.05 0.00 -1.00 0.00 0.00 55.97 53.82 2kma s LYS 98 Cb -0.12 0.12 0.07 0.00 -2.06 0.00 0.00 37.83 35.84 2kma s LYS 98 CO 0.02 -0.08 0.14 0.99 0.10 0.00 0.00 175.35 176.52 2kma s THR 99 N -3.50 3.59 0.09 3.79 2.01 -1.26 -1.25 115.64 119.11 2kma s THR 99 Ca 0.04 -1.45 0.09 0.00 0.31 0.00 0.00 61.69 60.68 2kma s THR 99 Cb 0.05 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2kma s THR 99 CO -0.08 -0.35 -0.24 -0.51 -0.69 0.00 0.00 174.62 172.75 2kma s ILE 100 N 1.32 1.96 -0.37 1.82 -1.16 -0.36 -4.84 121.20 119.56 2kma s ILE 100 Ca 0.01 -1.51 -0.21 0.00 -0.51 0.00 0.00 60.65 58.44 2kma s ILE 100 Cb -0.21 -1.73 0.01 0.00 0.61 0.00 0.00 42.46 41.14 2kma s ILE 100 CO 0.00 0.13 0.65 -0.04 -2.81 0.00 0.00 174.94 172.87 2kma s MET 101 N -1.66 3.60 -0.03 3.50 -1.94 -1.26 -0.60 119.30 120.91 2kma s MET 101 Ca 0.10 -0.02 0.07 0.00 -1.71 0.00 0.00 55.69 54.13 2kma s MET 101 Cb -0.10 -3.84 -0.02 0.00 2.01 0.00 0.00 34.83 32.89 2kma s MET 101 CO 0.04 -0.80 -0.25 0.08 -0.01 0.00 0.00 175.02 174.07 2kma s VAL 102 N 2.76 2.07 0.20 -6.03 1.01 -0.94 -4.74 120.40 114.73 2kma s VAL 102 Ca 0.24 -1.09 -0.32 0.00 0.00 0.00 0.00 61.98 60.82 2kma s VAL 102 Cb -0.14 -1.72 -0.12 0.00 0.00 0.00 0.00 36.38 34.40 2kma s VAL 102 CO 0.16 0.58 1.74 -1.81 0.00 0.00 0.00 175.10 175.76 2kma s ASP 103 N -0.45 6.38 0.01 3.32 1.11 -1.26 -0.82 116.67 124.96 2kma s ASP 103 Ca 0.05 2.86 0.25 0.00 0.18 0.00 0.00 52.55 55.90 2kma s ASP 103 Cb -0.11 -2.60 0.53 0.00 1.07 0.00 0.00 42.92 41.81 2kma s ASP 103 CO 0.01 -0.98 1.43 -0.67 1.18 0.00 0.00 175.17 176.14 2kma n ASP 104 N 4.15 0.49 -1.66 0.27 2.03 0.94 -3.98 116.55 118.78 2kma n ASP 104 Ca 0.16 -0.20 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 2kma n ASP 104 Cb 0.35 0.22 0.22 0.00 -0.72 0.00 0.00 41.12 41.19 2kma n ASP 104 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kma n SER 105 N -1.53 4.04 -3.83 1.67 2.88 -1.25 -4.37 113.62 111.22 2kma n SER 105 Ca 0.05 -2.87 -0.11 0.00 -1.33 0.00 0.00 58.87 54.61 2kma n SER 105 Cb 0.34 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 63.07 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kma s LYS 106 N -2.30 1.60 0.84 -1.46 0.00 -1.26 -5.09 119.74 112.08 2kma s LYS 106 Ca 0.40 -1.42 -0.12 0.00 0.00 0.00 0.00 55.97 54.82 2kma s LYS 106 Cb 0.32 0.44 0.10 0.00 0.00 0.00 0.00 37.83 38.69 2kma s LYS 106 CO 0.10 -0.65 1.13 0.95 0.00 0.00 0.00 175.35 176.88 2kma s THR 107 N -3.77 2.43 0.08 3.79 -4.23 -1.26 -4.69 115.64 107.99 2kma s THR 107 Ca 0.26 0.14 -0.17 0.00 -1.18 0.00 0.00 61.69 60.74 2kma s THR 107 Cb 0.00 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 2kma s THR 107 CO 0.12 -0.18 1.43 0.58 -0.54 0.00 0.00 174.62 176.03 2kma h VAL 108 N -1.23 1.30 -0.74 2.29 2.07 -1.55 -2.52 116.25 115.88 2kma h VAL 108 Ca -0.48 -1.26 0.17 0.00 0.82 0.00 0.00 66.70 65.94 2kma h VAL 108 Cb 1.31 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.54 2kma h VAL 108 CO 0.62 0.39 0.08 0.74 0.02 0.00 0.00 177.57 179.43 2kma h THR 109 N 0.27 0.42 -0.65 2.57 2.02 -1.69 0.27 112.91 116.13 2kma h THR 109 Ca 0.05 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2kma h THR 109 Cb 0.67 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2kma h THR 109 CO 0.04 0.03 0.12 -0.78 0.37 0.00 0.00 175.52 175.30 2kma h ASP 110 N 0.17 1.02 -0.53 4.18 1.82 -1.82 -1.74 116.42 119.52 2kma h ASP 110 Ca 0.41 -0.25 0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2kma h ASP 110 Cb 0.72 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.43 2kma h ASP 110 CO -0.59 1.02 0.35 -0.03 -1.61 0.00 0.00 179.24 178.38 2kma h MET 111 N 0.99 0.69 -0.85 0.28 4.05 -0.64 -0.89 114.93 118.55 2kma h MET 111 Ca 0.20 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2kma h MET 111 Cb 0.42 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 2kma h MET 111 CO 0.01 0.46 0.44 1.25 0.23 0.00 0.00 176.91 179.30 2kma h LEU 112 N 0.71 1.09 -0.19 3.39 5.85 -0.25 -0.72 115.31 125.19 2kma h LEU 112 Ca 0.19 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2kma h LEU 112 Cb -0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 2kma h LEU 112 CO -0.04 0.89 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.91 2kma h MET 113 N 1.20 0.05 -0.39 1.25 4.05 -0.82 0.18 114.93 120.45 2kma h MET 113 Ca 0.30 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.78 2kma h MET 113 Cb 0.07 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 2kma h MET 113 CO -0.04 0.03 0.04 1.15 0.23 0.00 0.00 176.91 178.31 2kma h THR 114 N 0.05 0.75 -0.03 -0.77 2.02 -0.32 -0.85 112.91 113.75 2kma h THR 114 Ca 0.09 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2kma h THR 114 Cb 0.12 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2kma h THR 114 CO -0.16 0.03 -0.15 0.40 0.37 0.00 0.00 175.52 176.00 2kma h ILE 115 N 0.15 1.48 -0.39 3.11 2.04 -0.79 -3.06 117.51 120.05 2kma h ILE 115 Ca 0.19 -1.64 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2kma h ILE 115 Cb 0.25 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2kma h ILE 115 CO -0.29 0.45 0.17 0.00 0.00 0.00 0.00 178.15 178.49 2kma h ALA 117 N 1.64 1.34 -0.53 0.00 0.00 -1.15 0.30 119.26 120.85 2kma h ALA 117 Ca 0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2kma h ALA 117 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kma h ALA 117 CO -0.02 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.53 2kma h ARG 118 N 0.00 0.95 -0.01 0.00 2.47 -1.02 -2.99 114.38 113.79 2kma h ARG 118 Ca -0.00 -0.32 -0.17 0.00 -1.26 0.00 0.00 59.98 58.23 2kma h ARG 118 Cb 0.54 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2kma h ARG 118 CO 0.03 0.98 -0.78 0.82 0.56 0.00 0.00 179.97 181.58 2kma h ILE 119 N 0.82 1.51 0.00 2.04 1.08 -1.35 -3.47 117.51 118.15 2kma h ILE 119 Ca 0.15 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 2kma h ILE 119 Cb 0.56 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.69 2kma h ILE 119 CO 0.03 0.73 0.00 0.61 -0.69 0.00 0.00 178.15 178.83 2kma n GLY 120 N 0.68 1.10 3.63 5.37 0.00 -0.68 -5.07 105.19 110.22 2kma n GLY 120 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2kma n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kma s ILE 121 N -2.00 3.67 0.05 -0.61 1.01 0.01 -4.89 121.20 118.44 2kma s ILE 121 Ca 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 2kma s ILE 121 Cb 0.00 -3.68 -0.27 0.00 0.01 0.00 0.00 42.46 38.52 2kma s ILE 121 CO 0.00 -0.28 1.03 0.00 0.00 0.00 0.00 174.94 175.69 2kma h THR 122 N 6.15 1.37 -3.37 2.92 1.03 -1.97 -3.37 112.91 115.67 2kma h THR 122 Ca -0.34 -2.99 -0.73 0.00 -0.01 0.00 0.00 66.41 62.35 2kma h THR 122 Cb 1.16 2.85 -0.30 0.00 -1.07 0.00 0.00 68.15 70.79 2kma h THR 122 CO 1.00 0.86 -0.36 0.21 -0.01 0.00 0.00 175.52 177.21 2kma s ASN 123 N -7.01 5.71 0.00 0.00 2.47 -1.26 -4.87 114.94 109.98 2kma s ASN 123 Ca -0.05 -2.07 0.23 0.00 0.42 0.00 0.00 52.86 51.39 2kma s ASN 123 Cb 0.07 -2.00 0.24 0.00 -1.45 0.00 0.00 41.25 38.12 2kma s ASN 123 CO 0.86 -0.65 1.28 0.00 -3.72 0.00 0.00 177.10 174.88 2kma n HIS 124 N 4.69 0.12 0.22 0.43 1.44 -1.26 -4.24 115.22 116.61 2kma n HIS 124 Ca -0.05 -0.06 0.10 0.00 -2.01 0.00 0.00 57.72 55.71 2kma n HIS 124 Cb 0.41 -0.00 0.36 0.00 0.12 0.00 0.00 29.99 30.88 2kma n HIS 124 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2kma h ASP 125 N 4.56 0.00 0.11 4.39 3.58 -1.98 -2.82 116.42 124.26 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kma h ASP 125 Cb 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2kma h ASP 125 CO 0.00 0.19 0.00 -0.62 -2.88 0.00 0.00 179.24 175.93 2kma n GLU 126 N -3.25 0.58 -4.40 0.28 1.02 -1.26 -4.79 120.64 108.82 2kma n GLU 126 Ca 0.01 0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 2kma n GLU 126 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.29 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kma s TYR 127 N -2.15 2.54 0.55 -0.32 2.02 -1.06 0.10 117.35 119.02 2kma s TYR 127 Ca 0.30 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 2kma s TYR 127 Cb 0.15 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.36 2kma s TYR 127 CO 0.27 0.35 0.22 -1.54 -1.57 0.00 0.00 175.55 173.28 2kma s SER 128 N -1.94 4.40 0.07 2.29 1.04 0.16 -4.78 113.70 114.93 2kma s SER 128 Ca 0.17 -1.50 0.09 0.00 0.48 0.00 0.00 55.95 55.19 2kma s SER 128 Cb -0.11 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2kma s SER 128 CO 0.09 -1.05 -0.22 -0.22 0.98 0.00 0.00 173.24 172.81 2kma s LEU 129 N -4.12 2.43 -0.11 2.42 0.20 -1.25 -1.54 118.68 116.72 2kma s LEU 129 Ca 0.17 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.39 2kma s LEU 129 Cb -0.01 -1.39 0.05 0.00 -0.43 0.00 0.00 46.19 44.41 2kma s LEU 129 CO 0.11 0.23 0.11 0.54 -0.29 0.00 0.00 176.35 177.04 2kma s VAL 130 N -0.95 -0.16 -0.45 1.68 0.11 0.71 0.13 120.40 121.47 2kma s VAL 130 Ca 0.14 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 2kma s VAL 130 Cb -0.10 -0.38 0.09 0.00 -1.53 0.00 0.00 36.38 34.45 2kma s VAL 130 CO 0.05 -0.02 0.33 -0.13 -3.33 0.00 0.00 175.10 171.99 2kma s ARG 131 N 2.21 2.71 -0.40 1.54 0.52 0.10 -0.07 118.95 125.55 2kma s ARG 131 Ca 0.04 -1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 53.46 2kma s ARG 131 Cb -0.14 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.41 2kma s ARG 131 CO -0.07 -1.04 1.31 -1.21 0.02 0.00 0.00 175.30 174.31 2kma s GLU 132 N 1.48 3.71 0.32 3.54 2.02 -1.16 -3.52 118.70 125.09 2kma s GLU 132 Ca 0.04 0.92 0.05 0.00 0.02 0.00 0.00 54.97 56.00 2kma s GLU 132 Cb -0.24 -3.95 0.05 0.00 0.10 0.00 0.00 34.13 30.08 2kma s GLU 132 CO 0.03 -1.40 0.41 1.28 0.02 0.00 0.00 175.26 175.60 2kma n LEU 133 N 8.24 0.00 -0.09 1.80 4.77 -1.21 -3.39 117.00 127.12 2kma n LEU 133 Ca 0.15 -1.41 0.09 0.00 -0.03 0.00 0.00 56.01 54.81 2kma n LEU 133 Cb 0.48 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.50 2kma n LEU 133 CO 0.69 -0.59 0.55 1.15 -1.33 0.00 0.00 177.39 177.86 2kma n MET 134 N -1.63 1.26 -2.02 3.23 0.00 -1.26 -4.79 117.12 111.91 2kma n MET 134 Ca 0.08 -2.48 -0.41 0.00 0.00 0.00 0.00 57.70 54.88 2kma n MET 134 Cb 0.33 -1.44 -0.02 0.00 0.00 0.00 0.00 33.22 32.09 2kma n MET 134 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2kma s GLU 135 N -2.70 4.28 0.04 3.17 2.02 -1.26 -4.89 118.70 119.35 2kma s GLU 135 Ca 0.30 2.31 0.28 0.00 0.02 0.00 0.00 54.97 57.88 2kma s GLU 135 Cb 0.26 -3.07 1.11 0.00 0.10 0.00 0.00 34.13 32.53 2kma s GLU 135 CO 0.03 -0.34 1.86 -0.85 0.02 0.00 0.00 175.26 175.98 2kma n GLU 136 N 1.42 0.05 0.00 1.61 0.28 -1.26 -3.23 120.64 119.51 2kma n GLU 136 Ca 0.03 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 2kma n GLU 136 Cb 0.41 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.72 2kma n GLU 136 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2kma n LYS 137 N -1.63 0.00 -0.06 3.44 5.02 -1.26 -4.80 118.16 118.87 2kma n LYS 137 Ca 0.07 0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 2kma n LYS 137 Cb 0.36 -0.62 -0.01 0.00 -0.02 0.00 0.00 35.03 34.74 2kma n LYS 137 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kma h LYS 138 N 0.00 0.00 -5.80 1.97 1.57 -1.99 -3.49 116.57 108.83 2kma h LYS 138 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2kma h LYS 138 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kma h LYS 138 CO 0.00 0.01 -0.62 -3.47 -0.57 0.00 0.00 179.45 174.80 2kma n ASP 169 N -4.73 -6.93 -4.20 0.86 2.03 -1.20 -5.02 116.55 97.35 2kma n ASP 169 Ca -0.02 0.01 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 2kma n ASP 169 Cb 0.09 -4.02 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 2kma n ASP 169 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2kma s GLU 170 N -3.02 1.08 0.41 -0.67 -6.30 -1.26 -5.01 118.70 103.92 2kma s GLU 170 Ca 0.18 -1.53 0.22 0.00 -2.50 0.00 0.00 54.97 51.33 2kma s GLU 170 Cb -0.04 0.03 0.71 0.00 0.00 0.00 0.00 34.13 34.84 2kma s GLU 170 CO 0.81 -0.24 1.74 -0.07 0.02 0.00 0.00 175.26 177.51 2kma h LEU 171 N 2.72 0.00 -3.08 2.70 3.38 -1.97 -3.20 115.31 115.86 2kma h LEU 171 Ca -0.36 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.36 2kma h LEU 171 Cb 1.21 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2kma h LEU 171 CO 0.60 0.27 -0.90 0.59 0.09 0.00 0.00 178.44 179.09 2kma n ASN 172 N -3.35 -6.40 -4.55 -0.43 3.02 -1.23 -0.09 115.26 102.23 2kma n ASN 172 Ca 0.01 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 2kma n ASN 172 Cb 0.50 -3.12 -0.03 0.00 -0.61 0.00 0.00 39.78 36.51 2kma n ASN 172 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2kma s TRP 173 N -2.07 2.51 0.14 3.10 0.52 -1.26 0.01 118.94 121.89 2kma s TRP 173 Ca 0.29 0.06 -0.31 0.00 0.02 0.00 0.00 56.10 56.15 2kma s TRP 173 Cb -0.04 -4.47 -0.10 0.00 -1.15 0.00 0.00 33.47 27.71 2kma s TRP 173 CO 0.84 -1.76 1.60 -0.51 0.02 0.00 0.00 176.95 177.13 2kma s LEU 174 N 5.03 4.37 0.00 2.99 1.43 0.35 -4.85 118.68 128.00 2kma s LEU 174 Ca 0.36 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 56.12 2kma s LEU 174 Cb -0.09 -3.58 0.50 0.00 0.03 0.00 0.00 46.19 43.04 2kma s LEU 174 CO 0.19 -0.84 1.00 -0.90 0.23 0.00 0.00 176.35 176.03 2kma n ASP 175 N 4.47 0.00 0.00 2.29 5.75 -1.26 -3.74 116.55 124.06 2kma n ASP 175 Ca 0.14 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 2kma n ASP 175 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kma n HIS 176 N -0.72 0.00 0.00 2.11 8.25 -1.26 -4.81 115.22 118.79 2kma n HIS 176 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kma n HIS 176 Cb 0.03 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.66 2kma n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kma n GLY 177 N -2.03 -0.04 3.61 -1.41 0.00 -1.26 -1.75 105.19 102.31 2kma n GLY 177 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 2kma n GLY 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kma n ARG 178 N -2.54 1.33 -0.67 1.61 0.63 -1.26 -3.52 116.66 112.23 2kma n ARG 178 Ca 0.00 0.48 -0.30 0.00 -0.92 0.00 0.00 57.85 57.11 2kma n ARG 178 Cb 0.00 -2.15 0.19 0.00 0.45 0.00 0.00 32.46 30.95 2kma n ARG 178 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2kma s THR 179 N 0.84 2.11 -0.14 5.15 -1.32 -1.26 -4.59 115.64 116.42 2kma s THR 179 Ca 0.85 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 61.25 2kma s THR 179 Cb -0.91 -2.09 -0.25 0.00 -1.51 0.00 0.00 72.50 67.74 2kma s THR 179 CO 0.47 -0.04 0.34 -0.07 -2.21 0.00 0.00 174.62 173.10 2kma h LEU 180 N -2.10 0.31 -2.05 9.08 3.38 -1.84 -3.26 115.31 118.83 2kma h LEU 180 Ca -0.50 -0.83 0.10 0.00 0.09 0.00 0.00 57.88 56.74 2kma h LEU 180 Cb 1.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2kma h LEU 180 CO 0.45 1.76 0.37 -0.09 0.09 0.00 0.00 178.44 181.01 2kma h ARG 181 N -0.23 0.00 0.00 1.13 1.12 -1.80 0.72 114.38 115.32 2kma h ARG 181 Ca -0.40 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.25 2kma h ARG 181 Cb 1.83 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.76 2kma h ARG 181 CO 0.01 0.00 -1.23 1.49 -3.11 0.00 0.00 179.97 177.13 2kma h GLU 182 N 0.00 0.00 -0.01 0.20 4.57 -1.89 -3.35 114.58 114.10 2kma h GLU 182 Ca 0.16 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.21 2kma h GLU 182 Cb 0.90 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2kma h GLU 182 CO -0.00 0.65 -0.64 1.96 -1.18 0.00 0.00 179.01 179.80 2kma h GLN 183 N 0.00 0.04 0.00 1.92 4.20 -0.89 -3.47 115.11 116.91 2kma h GLN 183 Ca -0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2kma h GLN 183 Cb 1.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.56 2kma h GLN 183 CO 0.09 0.66 0.00 0.41 -0.67 0.00 0.00 178.83 179.33 2kma n GLY 184 N 0.32 0.69 3.72 3.46 0.00 -1.12 -5.07 105.19 107.18 2kma n GLY 184 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -2.00 4.98 0.00 1.61 -7.23 -1.21 -5.03 120.40 111.52 2kma s VAL 185 Ca 0.00 1.62 0.00 0.00 -1.81 0.00 0.00 61.98 61.79 2kma s VAL 185 Cb 0.00 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.82 2kma s VAL 185 CO 0.00 0.23 0.00 -0.62 -0.31 0.00 0.00 175.10 174.40 2kma n GLU 186 N 3.75 3.57 -0.10 4.82 -0.58 -1.26 -4.52 120.64 126.32 2kma n GLU 186 Ca 0.01 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.84 2kma n GLU 186 Cb 0.51 0.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.52 2kma n GLU 186 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kma n GLU 187 N 0.00 1.53 -0.00 3.49 4.71 -1.26 -4.64 120.64 124.46 2kma n GLU 187 Ca 0.00 -2.53 0.04 0.00 -0.01 0.00 0.00 57.16 54.65 2kma n GLU 187 Cb 0.00 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.89 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2kma n HIS 188 N -1.30 0.00 -3.78 -0.32 1.44 -1.26 -4.84 115.22 105.16 2kma n HIS 188 Ca 0.15 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.54 2kma n HIS 188 Cb 0.64 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.69 2kma n HIS 188 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2kma s GLU 189 N -1.77 3.55 -0.13 -1.40 8.01 -1.26 -4.99 118.70 120.71 2kma s GLU 189 Ca 0.03 -0.19 -0.24 0.00 0.01 0.00 0.00 54.97 54.58 2kma s GLU 189 Cb 0.06 -3.00 -0.03 0.00 -4.31 0.00 0.00 34.13 26.86 2kma s GLU 189 CO 0.32 0.58 0.76 0.99 0.01 0.00 0.00 175.26 177.93 2kma s THR 190 N -1.47 4.96 0.01 3.63 2.01 -1.22 -4.60 115.64 118.97 2kma s THR 190 Ca 0.34 1.51 0.03 0.00 0.31 0.00 0.00 61.69 63.88 2kma s THR 190 Cb -0.13 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2kma s THR 190 CO 0.22 0.13 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.46 2kma s LEU 191 N 1.56 3.23 0.14 4.42 2.01 0.43 -2.99 118.68 127.48 2kma s LEU 191 Ca 0.37 -0.14 0.09 0.00 0.01 0.00 0.00 54.13 54.46 2kma s LEU 191 Cb -0.17 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.12 2kma s LEU 191 CO 0.15 0.27 -0.19 -0.76 1.01 0.00 0.00 176.35 176.83 2kma s LEU 192 N -1.53 2.39 0.05 1.79 1.43 0.89 -1.19 118.68 122.51 2kma s LEU 192 Ca 0.18 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2kma s LEU 192 Cb -0.11 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 2kma s LEU 192 CO 0.09 0.00 0.03 -1.48 0.23 0.00 0.00 176.35 175.22 2kma s LEU 193 N -2.41 3.60 0.03 1.79 0.05 -1.13 -0.21 118.68 120.40 2kma s LEU 193 Ca 0.13 -0.05 0.06 0.00 0.05 0.00 0.00 54.13 54.32 2kma s LEU 193 Cb -0.07 -2.20 -0.02 0.00 -2.05 0.00 0.00 46.19 41.84 2kma s LEU 193 CO 0.06 0.22 -0.18 -0.13 -0.55 0.00 0.00 176.35 175.77 2kma s ARG 194 N -2.01 1.28 -0.38 1.48 1.81 -0.59 -4.65 118.95 115.89 2kma s ARG 194 Ca 0.24 -0.81 -0.29 0.00 -1.72 0.00 0.00 55.73 53.16 2kma s ARG 194 Cb -0.12 -1.32 0.02 0.00 -0.45 0.00 0.00 34.95 33.08 2kma s ARG 194 CO 0.16 0.34 1.16 0.50 -0.68 0.00 0.00 175.30 176.78 2kma s ARG 195 N -0.95 3.89 -0.11 3.54 3.52 -1.26 0.38 118.95 127.95 2kma s ARG 195 Ca 0.06 0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 56.45 2kma s ARG 195 Cb -0.08 -3.84 -0.26 0.00 -1.56 0.00 0.00 34.95 29.21 2kma s ARG 195 CO 0.01 -1.16 0.45 -0.22 -0.81 0.00 0.00 175.30 173.57 2kma h LYS 196 N 8.86 0.25 -6.04 5.12 3.64 0.40 -3.46 116.57 125.34 2kma h LYS 196 Ca -0.23 -0.43 -0.60 0.00 -1.27 0.00 0.00 60.65 58.12 2kma h LYS 196 Cb 1.07 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2kma h LYS 196 CO 1.07 1.21 -0.18 -0.06 -2.27 0.00 0.00 179.45 179.22 2kma s PHE 197 N -2.52 3.74 -0.23 1.91 0.08 -0.58 -5.00 117.98 115.38 2kma s PHE 197 Ca -0.21 1.03 0.10 0.00 0.12 0.00 0.00 56.93 57.97 2kma s PHE 197 Cb 0.06 -2.31 0.43 0.00 -0.57 0.00 0.00 43.02 40.63 2kma s PHE 197 CO 0.76 0.64 1.25 1.19 -0.10 0.00 0.00 175.22 178.96 2kma n PHE 198 N 1.78 0.39 0.09 0.36 3.72 -1.26 -4.52 117.46 118.02 2kma n PHE 198 Ca -0.13 -1.59 0.01 0.00 -0.05 0.00 0.00 57.45 55.69 2kma n PHE 198 Cb 0.52 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 2kma n PHE 198 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2kma h TYR 199 N 1.11 0.00 -5.72 1.38 -0.00 -1.98 -3.49 116.97 108.28 2kma h TYR 199 Ca 0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.46 2kma h TYR 199 Cb 1.12 0.00 0.15 0.00 -0.00 0.00 0.00 36.73 38.00 2kma h TYR 199 CO 0.80 0.55 -0.81 0.43 -0.00 0.00 0.00 178.16 179.13 2kma n SER 200 N -3.08 -3.20 -0.57 0.10 7.64 -1.26 -1.69 113.62 111.56 2kma n SER 200 Ca -0.03 -0.70 -0.07 0.00 1.01 0.00 0.00 58.87 59.07 2kma n SER 200 Cb 0.79 -4.84 -0.03 0.00 -1.01 0.00 0.00 64.21 59.11 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -3.12 -5.67 -0.93 6.43 2.03 -1.26 -5.24 116.55 108.80 2kma n ASP 201 Ca -0.23 0.18 0.12 0.00 0.52 0.00 0.00 54.79 55.39 2kma n ASP 201 Cb 0.65 -3.82 0.12 0.00 -0.72 0.00 0.00 41.12 37.36 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95