#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 2.54 -0.26 -0.61 -4.36 -1.26 -5.12 121.20 112.13 2kma s ILE -4 Ca 0.00 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 2kma s ILE -4 Cb 0.00 -3.00 0.05 0.00 1.25 0.00 0.00 42.46 40.76 2kma s ILE -4 CO 0.00 -0.03 -0.09 -1.81 0.24 0.00 0.00 174.94 173.24 2kma s ASP -3 N -3.95 4.34 -0.34 4.36 1.01 -1.26 -5.08 116.67 115.74 2kma s ASP -3 Ca 0.42 -1.19 -0.28 0.00 0.71 0.00 0.00 52.55 52.21 2kma s ASP -3 Cb 0.01 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.33 2kma s ASP -3 CO 0.24 -0.17 1.80 -2.84 0.21 0.00 0.00 175.17 174.41 2kma s PRO -2 N 1.19 3.31 -0.58 8.23 0.02 -1.26 -4.94 135.00 140.97 2kma s PRO -2 Ca -0.05 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.41 2kma s PRO -2 Cb -0.18 -4.20 0.16 0.00 0.02 0.00 0.00 34.50 30.30 2kma s PRO -2 CO -0.05 -1.89 0.41 -0.06 -0.33 0.00 0.00 177.00 175.08 2kma s PHE -1 N 6.96 2.64 0.00 6.54 0.08 -1.26 -4.93 117.98 128.02 2kma s PHE -1 Ca 0.79 -2.92 0.00 0.00 0.12 0.00 0.00 56.93 54.92 2kma s PHE -1 Cb -0.22 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 2kma s PHE -1 CO 0.33 -0.67 0.00 0.25 -0.10 0.00 0.00 175.22 175.03 2kma n THR 0 N 2.48 0.00 -1.04 0.64 -2.24 -1.26 -4.92 114.28 107.94 2kma n THR 0 Ca 0.20 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.71 2kma n THR 0 Cb 0.38 -0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 67.91 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 2.80 -2.45 -0.78 1.56 -1.26 -3.12 117.12 113.86 2kma n MET 1 Ca 0.00 -1.69 -0.02 0.00 -0.27 0.00 0.00 57.70 55.72 2kma n MET 1 Cb 0.00 -2.51 0.11 0.00 2.15 0.00 0.00 33.22 32.96 2kma n MET 1 CO 0.00 0.00 0.00 1.55 -0.73 0.00 0.00 175.97 176.79 2kma n VAL 2 N 3.56 0.00 -4.12 1.12 3.14 -1.26 -5.12 118.33 115.66 2kma n VAL 2 Ca 0.60 -0.82 -0.12 0.00 -2.96 0.00 0.00 64.34 61.04 2kma n VAL 2 Cb 0.31 0.91 -0.11 0.00 -1.06 0.00 0.00 33.84 33.89 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kma s ALA 3 N 0.11 0.78 -0.14 1.55 0.00 -1.18 -4.00 121.76 118.87 2kma s ALA 3 Ca 0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2kma s ALA 3 Cb 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 2kma s ALA 3 CO -0.10 -0.12 -0.11 -0.51 0.00 0.00 0.00 175.76 174.92 2kma s LEU 4 N -2.30 2.85 -0.58 0.00 1.43 0.22 -4.75 118.68 115.55 2kma s LEU 4 Ca 0.01 -0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2kma s LEU 4 Cb -0.03 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.63 2kma s LEU 4 CO -0.02 0.16 0.69 -0.94 0.23 0.00 0.00 176.35 176.47 2kma s SER 5 N 0.39 6.19 -0.09 2.29 1.04 -1.26 -1.51 113.70 120.75 2kma s SER 5 Ca -0.09 -1.35 -0.00 0.00 0.48 0.00 0.00 55.95 55.00 2kma s SER 5 Cb -0.15 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 2kma s SER 5 CO 0.05 -1.07 -0.07 -0.76 0.98 0.00 0.00 173.24 172.36 2kma s LEU 6 N 2.66 3.13 -0.52 2.42 1.43 -0.09 -0.92 118.68 126.79 2kma s LEU 6 Ca 0.12 -0.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.90 2kma s LEU 6 Cb -0.23 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.33 2kma s LEU 6 CO 0.07 0.31 0.92 -0.54 0.23 0.00 0.00 176.35 177.34 2kma s LYS 7 N -0.47 3.38 -0.58 1.70 1.02 -0.85 -1.48 119.74 122.47 2kma s LYS 7 Ca 0.07 -0.15 -0.22 0.00 0.02 0.00 0.00 55.97 55.69 2kma s LYS 7 Cb -0.12 -4.01 0.06 0.00 -0.52 0.00 0.00 37.83 33.24 2kma s LYS 7 CO 0.02 -1.39 0.86 0.42 -0.92 0.00 0.00 175.35 174.34 2kma s ILE 8 N 3.84 4.51 -0.14 2.17 1.09 0.20 0.53 121.20 133.41 2kma s ILE 8 Ca 0.32 -0.20 -0.13 0.00 -1.10 0.00 0.00 60.65 59.54 2kma s ILE 8 Cb -0.12 -4.53 -0.05 0.00 -1.06 0.00 0.00 42.46 36.71 2kma s ILE 8 CO 0.21 -1.15 0.27 -0.44 -0.10 0.00 0.00 174.94 173.73 2kma s SER 9 N 3.13 6.45 -0.40 3.58 0.01 -1.11 0.40 113.70 125.77 2kma s SER 9 Ca 0.23 0.53 0.02 0.00 1.31 0.00 0.00 55.95 58.03 2kma s SER 9 Cb -0.16 -2.17 0.12 0.00 0.21 0.00 0.00 66.02 64.02 2kma s SER 9 CO 0.14 0.18 0.18 -0.63 0.41 0.00 0.00 173.24 173.52 2kma s ILE 10 N 0.06 1.39 0.00 1.44 1.01 0.17 -1.79 121.20 123.48 2kma s ILE 10 Ca 0.16 -2.25 0.00 0.00 0.00 0.00 0.00 60.65 58.56 2kma s ILE 10 Cb -0.13 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.34 2kma s ILE 10 CO 0.04 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.79 2kma n GLY 11 N 3.95 1.77 0.00 6.18 0.00 -1.26 -2.46 105.19 113.36 2kma n GLY 11 Ca 0.05 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.25 2kma n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kma n ASN 12 N 4.85 4.50 -4.96 1.61 0.23 -1.26 -5.05 115.26 115.18 2kma n ASN 12 Ca 0.00 -0.02 -0.22 0.00 -0.53 0.00 0.00 54.58 53.82 2kma n ASN 12 Cb 0.00 1.07 -0.01 0.00 -2.08 0.00 0.00 39.78 38.76 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kma s VAL 13 N -2.07 4.76 -0.14 3.53 0.11 -1.03 -5.11 120.40 120.46 2kma s VAL 13 Ca -0.01 -0.78 -0.06 0.00 -2.93 0.00 0.00 61.98 58.20 2kma s VAL 13 Cb 0.01 -3.70 0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2kma s VAL 13 CO 0.06 -0.35 0.31 0.54 -3.33 0.00 0.00 175.10 172.33 2kma s VAL 14 N -2.20 -0.15 0.08 2.04 0.11 -1.26 0.41 120.40 119.42 2kma s VAL 14 Ca 0.40 0.16 0.09 0.00 -2.93 0.00 0.00 61.98 59.70 2kma s VAL 14 Cb -0.09 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 2kma s VAL 14 CO 0.33 0.07 -0.23 -0.54 -3.33 0.00 0.00 175.10 171.39 2kma s LYS 15 N 1.62 1.76 -0.37 1.54 -0.14 0.16 -4.92 119.74 119.40 2kma s LYS 15 Ca -0.07 -1.15 -0.13 0.00 -1.36 0.00 0.00 55.97 53.26 2kma s LYS 15 Cb -0.10 -2.03 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 2kma s LYS 15 CO -0.10 0.50 0.24 0.99 -0.76 0.00 0.00 175.35 176.22 2kma s THR 16 N -0.95 5.02 0.06 2.17 2.01 -1.26 0.62 115.64 123.31 2kma s THR 16 Ca 0.14 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.63 2kma s THR 16 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2kma s THR 16 CO 0.05 -0.16 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.38 2kma s MET 17 N 1.65 0.72 0.01 4.92 1.75 -0.55 -4.98 119.30 122.83 2kma s MET 17 Ca 0.05 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 53.64 2kma s MET 17 Cb -0.18 -0.65 -0.03 0.00 2.84 0.00 0.00 34.83 36.80 2kma s MET 17 CO 0.09 0.14 -0.06 -0.65 -0.65 0.00 0.00 175.02 173.88 2kma s GLN 18 N -1.65 2.55 0.16 4.11 -0.21 -1.26 -0.91 119.66 122.44 2kma s GLN 18 Ca -0.05 -0.73 0.05 0.00 0.02 0.00 0.00 55.36 54.66 2kma s GLN 18 Cb -0.10 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 2kma s GLN 18 CO 0.02 0.60 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.61 2kma s PHE 19 N -1.01 1.37 0.65 0.91 0.08 -0.57 -4.90 117.98 114.51 2kma s PHE 19 Ca 0.17 -0.70 -0.13 0.00 0.12 0.00 0.00 56.93 56.40 2kma s PHE 19 Cb -0.11 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2kma s PHE 19 CO 0.08 0.15 1.05 -1.21 -0.10 0.00 0.00 175.22 175.19 2kma s GLU 20 N -3.62 3.16 0.25 0.44 2.02 -1.26 0.69 118.70 120.38 2kma s GLU 20 Ca 0.17 1.03 -0.02 0.00 0.02 0.00 0.00 54.97 56.16 2kma s GLU 20 Cb 0.01 -2.02 0.48 0.00 0.10 0.00 0.00 34.13 32.71 2kma s GLU 20 CO 0.02 -0.93 1.77 -1.35 0.02 0.00 0.00 175.26 174.79 2kma h PRO 21 N -0.22 0.61 0.00 0.39 0.11 -1.92 -3.13 132.00 127.84 2kma h PRO 21 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kma h PRO 21 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2kma h PRO 21 CO 0.57 0.40 0.00 0.43 -0.21 0.00 0.00 178.00 179.20 2kma n SER 22 N -4.86 0.00 0.00 -2.05 7.64 -1.26 -1.18 113.62 111.90 2kma n SER 22 Ca 0.16 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2kma n SER 22 Cb 0.39 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.06 0.00 0.00 0.44 -1.04 -1.18 -1.78 114.28 109.66 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 -0.33 -2.82 1.56 -1.26 -4.29 117.12 109.98 2kma n MET 24 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 2kma n MET 24 Cb 0.00 0.00 0.07 0.00 2.15 0.00 0.00 33.22 35.44 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 0.06 -0.26 1.12 2.07 -1.74 0.28 116.25 117.79 2kma h VAL 25 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kma h VAL 25 Cb 0.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2kma h VAL 25 CO 0.00 0.00 0.14 0.10 0.02 0.00 0.00 177.57 177.83 2kma h TYR 26 N -0.03 0.34 0.14 1.57 -0.00 -1.88 0.83 116.97 117.93 2kma h TYR 26 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.80 2kma h TYR 26 Cb 0.62 -0.11 0.03 0.00 0.00 0.00 0.00 36.73 37.26 2kma h TYR 26 CO -0.77 0.24 -1.27 0.22 -0.00 0.00 0.00 178.16 176.58 2kma h ASP 27 N 0.36 0.80 -0.20 0.10 1.82 -0.76 -3.14 116.42 115.40 2kma h ASP 27 Ca 0.09 -0.76 -0.00 0.00 -0.39 0.00 0.00 57.03 55.97 2kma h ASP 27 Cb 0.01 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 2kma h ASP 27 CO -0.02 1.57 0.12 0.00 -1.61 0.00 0.00 179.24 179.31 2kma h ALA 28 N 0.34 0.25 -0.62 -0.78 0.00 -0.09 -2.63 119.26 115.72 2kma h ALA 28 Ca -0.19 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.83 2kma h ALA 28 Cb 1.94 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2kma h ALA 28 CO 0.24 -0.25 0.42 0.00 0.00 0.00 0.00 179.25 179.66 2kma h ARG 30 N 0.24 0.47 -0.10 0.00 0.11 -1.43 -2.93 114.38 110.74 2kma h ARG 30 Ca 0.30 -0.78 -0.22 0.00 0.10 0.00 0.00 59.98 59.37 2kma h ARG 30 Cb 0.83 0.29 0.01 0.00 1.11 0.00 0.00 29.97 32.21 2kma h ARG 30 CO -0.06 1.37 -0.83 0.52 0.10 0.00 0.00 179.97 181.07 2kma h MET 31 N -0.01 0.67 -0.33 0.08 2.86 -1.11 -2.34 114.93 114.75 2kma h MET 31 Ca -0.21 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 56.82 2kma h MET 31 Cb 1.97 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.75 2kma h MET 31 CO 0.23 1.20 0.10 0.97 1.06 0.00 0.00 176.91 180.47 2kma h ILE 32 N 0.44 1.21 -0.05 -1.22 2.10 -0.91 -0.51 117.51 118.56 2kma h ILE 32 Ca -0.06 -0.68 0.02 0.00 1.08 0.00 0.00 64.86 65.21 2kma h ILE 32 Cb 1.45 1.03 -0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2kma h ILE 32 CO 0.16 0.23 0.04 -0.09 -1.08 0.00 0.00 178.15 177.41 2kma h ARG 33 N 0.37 0.00 0.25 2.19 2.43 -1.56 0.99 114.38 119.06 2kma h ARG 33 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2kma h ARG 33 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2kma h ARG 33 CO -0.00 0.00 -0.12 1.49 -1.51 0.00 0.00 179.97 179.83 2kma h GLU 34 N 0.00 -0.32 0.04 0.20 4.81 -0.65 -3.39 114.58 115.27 2kma h GLU 34 Ca 0.03 0.02 -0.26 0.00 -0.13 0.00 0.00 59.36 59.02 2kma h GLU 34 Cb 0.11 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2kma h GLU 34 CO -0.00 -0.21 -1.34 0.07 -0.73 0.00 0.00 179.01 176.80 2kma h ARG 35 N -1.02 0.09 -4.36 1.92 0.11 -1.16 -3.42 114.38 106.54 2kma h ARG 35 Ca -0.03 -0.16 -0.73 0.00 0.10 0.00 0.00 59.98 59.15 2kma h ARG 35 Cb 0.25 0.06 -0.24 0.00 1.11 0.00 0.00 29.97 31.15 2kma h ARG 35 CO 0.06 0.94 -0.38 0.42 0.10 0.00 0.00 179.97 181.10 2kma s ILE 36 N -2.65 4.90 -0.08 0.08 1.01 0.34 -4.93 121.20 119.86 2kma s ILE 36 Ca -0.04 -1.15 0.30 0.00 0.00 0.00 0.00 60.65 59.77 2kma s ILE 36 Cb 0.08 -3.93 0.36 0.00 0.01 0.00 0.00 42.46 38.98 2kma s ILE 36 CO 0.84 -0.54 1.88 1.55 0.00 0.00 0.00 174.94 178.67 2kma h PRO 37 N 8.63 0.00 0.00 2.79 0.13 -1.80 -2.63 132.00 139.12 2kma h PRO 37 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2kma h PRO 37 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.83 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.33 2kma h GLU 38 N 0.00 0.00 -0.67 0.86 3.07 -1.91 -3.07 114.58 112.86 2kma h GLU 38 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2kma h GLU 38 Cb 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2kma h GLU 38 CO 0.00 0.20 0.28 0.00 -1.40 0.00 0.00 179.01 178.08 2kma h ALA 39 N 1.80 0.87 -0.55 3.43 0.00 -1.76 -2.86 119.26 120.19 2kma h ALA 39 Ca -0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 2kma h ALA 39 Cb 0.56 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 2kma h ALA 39 CO 0.03 0.49 0.30 1.47 0.00 0.00 0.00 179.25 181.53 2kma n LEU 40 N -4.40 4.96 -1.86 0.00 -0.00 -1.16 -4.65 117.00 109.90 2kma n LEU 40 Ca 0.05 -2.60 -0.03 0.00 -0.00 0.00 0.00 56.01 53.43 2kma n LEU 40 Cb 0.17 -0.69 -0.05 0.00 -0.00 0.00 0.00 43.42 42.85 2kma n LEU 40 CO 0.39 0.75 0.94 0.00 -0.00 0.00 0.00 177.39 179.47 2kma n ALA 41 N -0.28 3.88 0.00 1.47 0.00 -1.08 -4.66 120.51 119.84 2kma n ALA 41 Ca 0.32 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2kma n ALA 41 Cb 1.13 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2kma n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 42 N 2.06 -0.91 3.47 0.00 0.00 -1.26 -5.07 105.19 103.48 2kma n GLY 42 Ca 0.12 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2kma n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kma s PRO 43 N -0.45 3.20 0.35 1.61 0.05 -1.26 -4.93 135.00 133.57 2kma s PRO 43 Ca 0.00 -0.67 0.24 0.00 0.05 0.00 0.00 61.00 60.62 2kma s PRO 43 Cb 0.00 -4.11 1.28 0.00 0.05 0.00 0.00 34.50 31.72 2kma s PRO 43 CO 0.00 -1.43 1.74 -1.00 0.05 0.00 0.00 177.00 176.36 2kma h PRO 44 N 9.21 0.00 0.00 0.56 0.13 -1.91 -0.93 132.00 139.06 2kma h PRO 44 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 2kma h PRO 44 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2kma h PRO 44 CO 1.05 0.00 -0.21 -0.91 -0.23 0.00 0.00 178.00 177.70 2kma h ASN 45 N 0.00 0.00 -0.31 1.44 2.35 -2.00 -2.89 115.58 114.16 2kma h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2kma h ASN 45 CO 0.00 0.21 0.00 0.47 -1.65 0.00 0.00 177.43 176.46 2kma n ASP 46 N -3.21 3.03 -4.65 5.81 8.00 -0.36 -4.92 116.55 120.26 2kma n ASP 46 Ca 0.02 -1.93 -0.38 0.00 0.71 0.00 0.00 54.79 53.21 2kma n ASP 46 Cb 0.55 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.60 3.33 0.44 1.24 0.08 -1.09 0.84 117.98 121.21 2kma s PHE 47 Ca 0.37 0.47 0.03 0.00 0.12 0.00 0.00 56.93 57.92 2kma s PHE 47 Cb 0.21 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2kma s PHE 47 CO 0.30 -0.05 0.08 0.20 -0.10 0.00 0.00 175.22 175.66 2kma s GLY 48 N 1.19 2.73 -0.42 4.36 0.00 0.15 -4.85 107.32 110.48 2kma s GLY 48 Ca 0.15 -1.02 -0.14 0.00 0.00 0.00 0.00 44.72 43.71 2kma s GLY 48 CO 0.08 -1.96 0.31 1.08 0.00 0.00 0.00 173.10 172.60 2kma s LEU 49 N -3.70 5.21 -0.19 0.66 1.43 -1.26 -2.04 118.68 118.79 2kma s LEU 49 Ca 0.19 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.09 2kma s LEU 49 Cb 0.03 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 2kma s LEU 49 CO 0.11 -0.50 0.25 0.12 0.23 0.00 0.00 176.35 176.56 2kma s PHE 50 N 1.64 3.41 -0.33 0.29 5.36 0.37 0.17 117.98 128.89 2kma s PHE 50 Ca 0.04 0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 56.31 2kma s PHE 50 Cb -0.21 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 2kma s PHE 50 CO 0.08 0.17 0.50 -1.17 -1.46 0.00 0.00 175.22 173.34 2kma s LEU 51 N 0.70 4.28 -0.86 6.12 1.98 0.69 0.89 118.68 132.49 2kma s LEU 51 Ca 0.14 0.07 -0.25 0.00 -2.89 0.00 0.00 54.13 51.20 2kma s LEU 51 Cb -0.13 -2.58 0.04 0.00 0.66 0.00 0.00 46.19 44.19 2kma s LEU 51 CO 0.03 -0.42 1.33 -0.44 -1.89 0.00 0.00 176.35 174.96 2kma s SER 52 N 1.72 6.32 -0.10 3.68 0.01 -0.27 -2.56 113.70 122.50 2kma s SER 52 Ca 0.19 -0.94 -0.19 0.00 1.31 0.00 0.00 55.95 56.32 2kma s SER 52 Cb -0.16 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.36 2kma s SER 52 CO 0.12 -1.66 0.63 -0.78 0.41 0.00 0.00 173.24 171.96 2kma h ASP 53 N 9.88 -0.06 0.00 2.44 3.58 -1.85 -3.37 116.42 127.03 2kma h ASP 53 Ca -0.07 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2kma h ASP 53 Cb 1.03 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2kma h ASP 53 CO 1.33 0.65 0.00 -0.67 -2.88 0.00 0.00 179.24 177.67 2kma n ASP 54 N -4.77 0.00 -4.78 2.28 2.03 -1.26 -5.01 116.55 105.04 2kma n ASP 54 Ca -0.07 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.90 2kma n ASP 54 Cb 0.28 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.61 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 0.00 5.74 0.48 1.67 -1.08 -1.26 -5.00 116.67 117.22 2kma s ASP 55 Ca 0.00 0.23 0.31 0.00 -0.52 0.00 0.00 52.55 52.57 2kma s ASP 55 Cb 0.00 -1.70 1.41 0.00 -1.46 0.00 0.00 42.92 41.17 2kma s ASP 55 CO 0.00 0.33 1.75 1.55 0.52 0.00 0.00 175.17 179.33 2kma h PRO 56 N 4.60 0.13 0.00 4.34 0.13 -1.99 0.19 132.00 139.40 2kma h PRO 56 Ca -0.51 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 2kma h PRO 56 Cb 1.20 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kma h PRO 56 CO 0.59 0.09 -1.19 0.87 -0.23 0.00 0.00 178.00 178.13 2kma h LYS 57 N 0.13 0.00 0.00 0.86 1.57 -1.95 -3.26 116.57 113.93 2kma h LYS 57 Ca 0.64 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.29 2kma h LYS 57 Cb 2.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.49 2kma h LYS 57 CO -0.15 0.46 -0.59 0.87 -0.57 0.00 0.00 179.45 179.46 2kma h LYS 58 N 0.00 0.00 -7.11 3.15 1.57 -1.09 -3.45 116.57 109.64 2kma h LYS 58 Ca -0.12 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.11 2kma h LYS 58 Cb 1.63 0.00 0.18 0.00 0.08 0.00 0.00 32.23 34.12 2kma h LYS 58 CO 0.07 0.59 0.23 0.41 -0.57 0.00 0.00 179.45 180.18 2kma n GLY 59 N 0.19 -0.20 3.05 3.86 0.00 -0.26 -4.75 105.19 107.08 2kma n GLY 59 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 2kma n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2kma s ILE 60 N -2.03 0.21 -0.24 -0.61 -4.36 -1.06 -4.97 121.20 108.15 2kma s ILE 60 Ca 0.73 -1.42 -0.15 0.00 -0.26 0.00 0.00 60.65 59.55 2kma s ILE 60 Cb -0.31 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.39 2kma s ILE 60 CO 0.51 -0.76 0.37 0.26 0.24 0.00 0.00 174.94 175.56 2kma s TRP 61 N -2.80 3.30 -0.38 1.37 0.52 -1.26 -0.22 118.94 119.48 2kma s TRP 61 Ca -0.03 0.49 -0.29 0.00 0.02 0.00 0.00 56.10 56.29 2kma s TRP 61 Cb -0.00 -2.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2kma s TRP 61 CO -0.06 -0.12 1.11 -0.51 0.02 0.00 0.00 176.95 177.40 2kma s LEU 62 N 1.69 3.82 0.60 2.99 1.43 0.13 -4.99 118.68 124.34 2kma s LEU 62 Ca 0.16 0.84 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 2kma s LEU 62 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 2kma s LEU 62 CO 0.09 -1.03 1.04 -1.83 0.23 0.00 0.00 176.35 174.84 2kma s GLU 63 N 3.98 3.42 0.42 1.70 -1.05 -1.26 -4.37 118.70 121.54 2kma s GLU 63 Ca 0.47 1.07 0.14 0.00 -0.15 0.00 0.00 54.97 56.49 2kma s GLU 63 Cb -0.11 -2.05 0.90 0.00 -0.44 0.00 0.00 34.13 32.43 2kma s GLU 63 CO 0.22 -0.72 1.93 0.00 0.95 0.00 0.00 175.26 177.64 2kma h ALA 64 N 0.28 1.59 -0.17 -0.84 0.00 -1.95 -3.15 119.26 115.02 2kma h ALA 64 Ca -0.46 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.12 2kma h ALA 64 Cb 1.21 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2kma h ALA 64 CO 0.59 0.31 0.13 0.41 0.00 0.00 0.00 179.25 180.69 2kma n GLY 65 N -0.82 2.78 3.41 0.00 0.00 -1.26 -4.32 105.19 104.98 2kma n GLY 65 Ca -0.02 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.61 1.11 0.74 1.61 0.00 -1.19 -5.12 119.74 116.28 2kma s LYS 66 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 55.97 55.72 2kma s LYS 66 Cb 0.08 0.51 0.09 0.00 0.00 0.00 0.00 37.83 38.51 2kma s LYS 66 CO 0.01 -0.42 1.06 0.00 0.00 0.00 0.00 175.35 175.99 2kma s ALA 67 N -2.76 3.08 -0.07 0.59 0.00 -1.26 -3.20 121.76 118.15 2kma s ALA 67 Ca -0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 2kma s ALA 67 Cb -0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2kma s ALA 67 CO -0.04 -1.47 0.40 -0.07 0.00 0.00 0.00 175.76 174.58 2kma h LEU 68 N -0.74 -0.23 0.00 0.00 3.38 -1.40 -3.28 115.31 113.04 2kma h LEU 68 Ca -0.44 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kma h LEU 68 Cb 1.30 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2kma h LEU 68 CO 0.56 0.26 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 2kma n ASP 69 N -4.95 0.00 -0.17 -0.43 2.03 -0.33 -1.56 116.55 111.15 2kma n ASP 69 Ca -0.04 0.25 0.04 0.00 0.52 0.00 0.00 54.79 55.55 2kma n ASP 69 Cb 0.14 -0.38 0.32 0.00 -0.72 0.00 0.00 41.12 40.48 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kma h TYR 70 N 0.00 0.80 -0.20 -0.67 3.20 -1.76 -3.42 116.97 114.92 2kma h TYR 70 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kma h TYR 70 Cb 0.20 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2kma h TYR 70 CO 0.00 0.47 0.00 0.66 -1.64 0.00 0.00 178.16 177.65 2kma n TYR 71 N -4.46 0.00 0.88 -3.82 4.01 -0.60 -4.95 117.16 108.23 2kma n TYR 71 Ca 0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.93 2kma n TYR 71 Cb 0.12 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.97 -2.49 -0.72 2.81 -1.26 -4.96 117.12 112.47 2kma n MET 72 Ca 0.00 -1.48 -0.37 0.00 -1.81 0.00 0.00 57.70 54.04 2kma n MET 72 Cb 0.00 -1.41 -0.04 0.00 -0.71 0.00 0.00 33.22 31.06 2kma n MET 72 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2kma s LEU 73 N -1.43 4.20 0.00 4.03 1.43 -1.26 -4.98 118.68 120.67 2kma s LEU 73 Ca 0.33 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2kma s LEU 73 Cb 0.18 -4.09 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2kma s LEU 73 CO 0.26 -0.49 0.00 -2.11 0.23 0.00 0.00 176.35 174.25 2kma n ARG 74 N 0.10 0.00 -1.56 1.70 1.85 -1.26 -4.29 116.66 113.20 2kma n ARG 74 Ca 0.04 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.51 2kma n ARG 74 Cb 0.48 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.86 2kma n ARG 74 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2kma n ASN 75 N -0.11 2.51 0.00 2.89 3.02 -1.26 -1.96 115.26 120.35 2kma n ASN 75 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 2kma n ASN 75 Cb 0.00 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.60 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 5.97 1.41 3.74 7.41 0.00 -0.09 -4.88 105.19 118.75 2kma n GLY 76 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.10 7.50 -0.08 1.61 1.11 -0.83 -4.81 116.67 120.07 2kma s ASP 77 Ca 0.00 1.94 -0.23 0.00 0.18 0.00 0.00 52.55 54.44 2kma s ASP 77 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2kma s ASP 77 CO 0.00 -0.01 0.67 -0.89 1.18 0.00 0.00 175.17 176.12 2kma s THR 78 N -0.57 5.06 -0.19 -1.27 2.01 -1.26 -2.01 115.64 117.41 2kma s THR 78 Ca 0.45 1.38 -0.00 0.00 0.31 0.00 0.00 61.69 63.83 2kma s THR 78 Cb -0.26 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.29 2kma s THR 78 CO 0.32 0.26 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.14 2kma s MET 79 N 0.80 1.46 -0.13 4.92 1.75 0.19 -1.11 119.30 127.18 2kma s MET 79 Ca 0.36 -0.67 -0.25 0.00 -1.25 0.00 0.00 55.69 53.88 2kma s MET 79 Cb -0.17 -2.22 -0.02 0.00 2.84 0.00 0.00 34.83 35.26 2kma s MET 79 CO 0.17 -0.50 0.82 -2.00 -0.65 0.00 0.00 175.02 172.86 2kma s GLU 80 N 1.57 4.36 -0.60 4.11 2.12 0.26 -2.74 118.70 127.77 2kma s GLU 80 Ca -0.01 1.03 -0.17 0.00 0.36 0.00 0.00 54.97 56.18 2kma s GLU 80 Cb -0.17 -3.53 0.13 0.00 0.26 0.00 0.00 34.13 30.82 2kma s GLU 80 CO -0.07 -0.21 0.64 -0.47 -0.54 0.00 0.00 175.26 174.61 2kma s TYR 81 N 1.71 3.18 0.30 5.30 5.04 -0.74 -0.48 117.35 131.66 2kma s TYR 81 Ca 0.40 -1.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.85 2kma s TYR 81 Cb -0.17 -3.92 -0.04 0.00 0.35 0.00 0.00 41.96 38.18 2kma s TYR 81 CO 0.15 -1.16 0.16 -0.98 -1.34 0.00 0.00 175.55 172.38 2kma s ARG 82 N 2.00 1.57 0.08 4.97 1.70 -0.87 -4.60 118.95 123.82 2kma s ARG 82 Ca 0.09 -1.89 -0.31 0.00 -0.47 0.00 0.00 55.73 53.15 2kma s ARG 82 Cb -0.25 -0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 33.99 2kma s ARG 82 CO 0.03 -0.45 1.21 0.21 -1.08 0.00 0.00 175.30 175.22 2kma s LYS 83 N -3.83 4.44 0.48 3.89 2.20 -1.26 0.33 119.74 125.99 2kma s LYS 83 Ca 0.36 1.80 0.23 0.00 -0.36 0.00 0.00 55.97 58.00 2kma s LYS 83 Cb 0.05 -3.33 1.27 0.00 -1.51 0.00 0.00 37.83 34.32 2kma s LYS 83 CO 0.17 -0.24 1.92 0.87 -0.36 0.00 0.00 175.35 177.71 2kma h LYS 84 N 6.61 0.18 -6.08 4.03 1.79 0.12 -3.43 116.57 119.79 2kma h LYS 84 Ca -0.42 -0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 57.47 2kma h LYS 84 Cb 1.21 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2kma h LYS 84 CO 0.81 0.12 -0.41 -0.65 -1.08 0.00 0.00 179.45 178.23 2kma s GLN 85 N -5.19 3.49 0.11 3.15 -0.21 -1.26 0.34 119.66 120.09 2kma s GLN 85 Ca -0.06 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 54.97 2kma s GLN 85 Cb 0.21 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 2kma s GLN 85 CO 0.76 0.50 -0.14 -0.98 -2.12 0.00 0.00 175.29 173.31 2kma s ARG 86 N -2.99 0.97 -0.05 2.91 1.04 -0.52 -4.80 118.95 115.51 2kma s ARG 86 Ca 0.37 -1.16 -0.30 0.00 -1.04 0.00 0.00 55.73 53.60 2kma s ARG 86 Cb -0.12 -0.89 -0.06 0.00 -2.04 0.00 0.00 34.95 31.83 2kma s ARG 86 CO 0.28 0.18 1.81 -2.14 -0.04 0.00 0.00 175.30 175.39 2kma s PRO 87 N -2.40 4.05 -0.21 3.89 0.02 -1.26 -2.88 135.00 136.21 2kma s PRO 87 Ca 0.06 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.28 2kma s PRO 87 Cb -0.06 -4.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.33 2kma s PRO 87 CO 0.03 -1.02 0.09 -0.51 -0.33 0.00 0.00 177.00 175.25 2kma s LEU 88 N 4.63 3.81 -0.46 -5.54 1.02 -0.47 -4.58 118.68 117.09 2kma s LEU 88 Ca 0.81 0.03 -0.24 0.00 0.02 0.00 0.00 54.13 54.75 2kma s LEU 88 Cb -0.36 -1.99 0.03 0.00 0.02 0.00 0.00 46.19 43.89 2kma s LEU 88 CO 0.34 0.10 0.84 -0.54 0.02 0.00 0.00 176.35 177.12 2kma s LYS 89 N 0.80 3.45 -0.08 1.70 -0.14 -1.26 -2.26 119.74 121.95 2kma s LYS 89 Ca 0.05 -0.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.68 2kma s LYS 89 Cb -0.13 -3.94 0.01 0.00 -1.68 0.00 0.00 37.83 32.09 2kma s LYS 89 CO 0.02 -1.16 -0.18 0.42 -0.76 0.00 0.00 175.35 173.69 2kma s ILE 90 N 3.47 1.55 -0.22 2.17 -1.09 -0.04 0.55 121.20 127.59 2kma s ILE 90 Ca 0.33 -0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 2kma s ILE 90 Cb -0.11 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.37 2kma s ILE 90 CO 0.24 0.45 0.04 -0.60 -1.23 0.00 0.00 174.94 173.84 2kma s ARG 91 N 0.45 3.68 0.84 2.79 3.52 -0.57 -0.20 118.95 129.45 2kma s ARG 91 Ca -0.15 -0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2kma s ARG 91 Cb -0.16 -3.21 0.13 0.00 -1.56 0.00 0.00 34.95 30.14 2kma s ARG 91 CO 0.06 -0.05 1.18 -1.64 -0.81 0.00 0.00 175.30 174.04 2kma s MET 92 N 1.22 1.47 0.26 5.12 -1.94 0.26 -1.45 119.30 124.24 2kma s MET 92 Ca 0.04 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.70 2kma s MET 92 Cb -0.14 -1.99 0.37 0.00 2.01 0.00 0.00 34.83 35.07 2kma s MET 92 CO 0.02 -1.82 1.89 -0.07 -0.01 0.00 0.00 175.02 175.03 2kma h LEU 93 N -1.14 1.05 -0.34 -0.03 -0.00 -1.87 0.31 115.31 113.29 2kma h LEU 93 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 2kma h LEU 93 Cb 1.28 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2kma h LEU 93 CO 0.51 0.68 0.00 -0.67 -0.00 0.00 0.00 178.44 178.97 2kma n ASP 94 N -4.49 0.32 0.00 -0.43 2.03 -1.26 -4.82 116.55 107.91 2kma n ASP 94 Ca 0.15 0.58 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2kma n ASP 94 Cb 0.15 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kma n GLY 95 N -0.03 0.98 3.69 0.27 0.00 0.11 -5.07 105.19 105.14 2kma n GLY 95 Ca 0.03 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 5.21 -0.12 2.61 2.01 -1.22 -4.76 115.64 117.37 2kma s THR 96 Ca 0.00 0.75 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 2kma s THR 96 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2kma s THR 96 CO 0.00 0.29 0.02 0.54 -0.69 0.00 0.00 174.62 174.78 2kma s VAL 97 N 0.98 4.44 0.07 3.82 0.11 -1.26 0.90 120.40 129.46 2kma s VAL 97 Ca 0.21 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2kma s VAL 97 Cb -0.14 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2kma s VAL 97 CO 0.08 0.56 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.76 2kma s LYS 98 N -0.43 0.66 -0.23 1.54 -2.85 0.72 -4.97 119.74 114.18 2kma s LYS 98 Ca 0.08 -1.12 -0.03 0.00 -1.00 0.00 0.00 55.97 53.91 2kma s LYS 98 Cb -0.12 -0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.59 2kma s LYS 98 CO 0.02 -0.04 -0.06 0.99 0.10 0.00 0.00 175.35 176.37 2kma s THR 99 N -3.06 3.10 0.07 3.79 2.01 -1.26 -0.87 115.64 119.42 2kma s THR 99 Ca 0.03 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2kma s THR 99 Cb 0.02 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2kma s THR 99 CO -0.05 0.33 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.51 2kma s ILE 100 N 1.41 1.56 -0.39 1.82 -1.16 -0.96 -4.90 121.20 118.57 2kma s ILE 100 Ca 0.04 -1.29 -0.21 0.00 -0.51 0.00 0.00 60.65 58.67 2kma s ILE 100 Cb -0.15 -1.39 0.01 0.00 0.61 0.00 0.00 42.46 41.54 2kma s ILE 100 CO -0.04 0.05 0.66 -0.04 -2.81 0.00 0.00 174.94 172.76 2kma s MET 101 N -1.46 3.54 -0.02 3.50 -1.94 -1.26 -1.37 119.30 120.27 2kma s MET 101 Ca 0.05 -0.07 0.06 0.00 -1.71 0.00 0.00 55.69 54.02 2kma s MET 101 Cb -0.09 -3.87 -0.01 0.00 2.01 0.00 0.00 34.83 32.87 2kma s MET 101 CO 0.03 -0.87 -0.19 0.08 -0.01 0.00 0.00 175.02 174.05 2kma s VAL 102 N 2.84 1.55 0.19 -6.03 1.01 -1.14 -4.83 120.40 113.98 2kma s VAL 102 Ca 0.25 -0.82 -0.33 0.00 0.00 0.00 0.00 61.98 61.08 2kma s VAL 102 Cb -0.14 -1.30 -0.15 0.00 0.00 0.00 0.00 36.38 34.80 2kma s VAL 102 CO 0.17 0.44 1.33 0.47 0.00 0.00 0.00 175.10 177.51 2kma n ASP 103 N 2.76 2.15 0.20 3.32 9.92 -1.26 -1.44 116.55 132.20 2kma n ASP 103 Ca -0.16 1.13 0.12 0.00 -0.53 0.00 0.00 54.79 55.35 2kma n ASP 103 Cb 0.53 -1.32 0.18 0.00 -0.64 0.00 0.00 41.12 39.86 2kma n ASP 103 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kma h ASP 104 N 4.12 0.00 1.22 -2.24 3.58 -0.43 -3.30 116.42 119.37 2kma h ASP 104 Ca -0.45 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2kma h ASP 104 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2kma h ASP 104 CO 0.75 0.00 0.00 0.77 -2.88 0.00 0.00 179.24 177.88 2kma h SER 105 N 0.00 0.00 -2.21 2.28 4.64 -1.90 -3.39 113.55 112.97 2kma h SER 105 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2kma h SER 105 Cb 0.97 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.93 2kma h SER 105 CO 0.00 0.00 -0.65 -1.59 -0.87 0.00 0.00 176.83 173.72 2kma s LYS 106 N -3.38 1.78 0.00 4.77 0.00 -1.25 -5.03 119.74 116.65 2kma s LYS 106 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 55.97 54.07 2kma s LYS 106 Cb 0.09 -1.48 0.00 0.00 0.00 0.00 0.00 37.83 36.44 2kma s LYS 106 CO 0.54 0.03 0.00 0.25 0.00 0.00 0.00 175.35 176.17 2kma n THR 107 N -0.79 0.00 0.05 3.79 -2.24 -1.26 -4.58 114.28 109.25 2kma n THR 107 Ca -0.05 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.53 2kma n THR 107 Cb 0.65 -1.93 -0.14 0.00 -2.10 0.00 0.00 70.33 66.80 2kma n THR 107 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kma h VAL 108 N -0.02 0.89 -0.32 2.28 2.07 -1.76 -3.25 116.25 116.14 2kma h VAL 108 Ca 0.00 -2.54 0.07 0.00 0.82 0.00 0.00 66.70 65.05 2kma h VAL 108 Cb 0.00 2.67 -0.08 0.00 -1.52 0.00 0.00 31.29 32.36 2kma h VAL 108 CO 0.00 0.84 -0.34 0.74 0.02 0.00 0.00 177.57 178.83 2kma h THR 109 N 0.08 0.23 -0.65 2.57 2.02 -1.96 0.45 112.91 115.65 2kma h THR 109 Ca -0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2kma h THR 109 Cb 2.06 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2kma h THR 109 CO 0.15 0.00 0.35 -0.78 0.37 0.00 0.00 175.52 175.60 2kma h ASP 110 N -0.31 0.80 0.11 4.18 3.58 -1.93 -1.97 116.42 120.88 2kma h ASP 110 Ca 0.14 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2kma h ASP 110 Cb 0.55 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2kma h ASP 110 CO -0.49 0.66 -0.05 -0.03 -2.88 0.00 0.00 179.24 176.45 2kma h MET 111 N 0.91 -0.15 -0.53 0.28 4.05 -1.17 -1.78 114.93 116.53 2kma h MET 111 Ca 0.23 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.62 2kma h MET 111 Cb 0.04 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2kma h MET 111 CO -0.04 -0.06 0.17 1.25 0.23 0.00 0.00 176.91 178.47 2kma h LEU 112 N -0.20 0.72 -0.51 3.39 5.85 0.09 0.18 115.31 124.83 2kma h LEU 112 Ca -0.02 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2kma h LEU 112 Cb 0.16 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2kma h LEU 112 CO 0.03 0.69 0.26 -0.03 -0.34 0.00 0.00 178.44 179.04 2kma h MET 113 N 0.77 0.48 -0.58 1.25 4.05 -1.15 0.18 114.93 119.93 2kma h MET 113 Ca 0.18 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 2kma h MET 113 Cb 0.22 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 2kma h MET 113 CO -0.01 0.32 0.08 1.15 0.23 0.00 0.00 176.91 178.68 2kma h THR 114 N 0.50 1.26 -0.07 -0.77 2.02 -0.28 -2.75 112.91 112.82 2kma h THR 114 Ca 0.23 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.30 2kma h THR 114 Cb 0.14 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2kma h THR 114 CO -0.16 0.37 -0.31 0.40 0.37 0.00 0.00 175.52 176.18 2kma h ILE 115 N 0.86 1.43 -0.02 3.11 2.04 -0.15 -2.66 117.51 122.12 2kma h ILE 115 Ca 0.17 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 2kma h ILE 115 Cb 0.44 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2kma h ILE 115 CO 0.01 0.49 -0.13 0.00 0.00 0.00 0.00 178.15 178.53 2kma h ALA 117 N 1.84 0.98 -0.38 0.00 0.00 -1.38 0.25 119.26 120.57 2kma h ALA 117 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2kma h ALA 117 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kma h ALA 117 CO 0.02 0.43 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 2kma h ARG 118 N 0.00 0.74 -0.01 0.00 2.47 -0.73 -3.26 114.38 113.59 2kma h ARG 118 Ca -0.00 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.36 2kma h ARG 118 Cb 0.89 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 29.17 2kma h ARG 118 CO 0.04 0.88 -0.28 0.82 0.56 0.00 0.00 179.97 181.99 2kma h ILE 119 N 0.54 1.51 0.00 2.04 1.08 -1.35 -3.48 117.51 117.86 2kma h ILE 119 Ca 0.10 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 2kma h ILE 119 Cb 0.60 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2kma h ILE 119 CO 0.04 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.63 2kma n GLY 120 N 0.97 1.97 0.15 5.37 0.00 -0.06 -5.04 105.19 108.55 2kma n GLY 120 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2kma n GLY 120 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kma h ILE 121 N 0.00 1.13 0.00 -0.61 2.04 -0.90 -3.48 117.51 115.69 2kma h ILE 121 Ca 0.00 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2kma h ILE 121 Cb 0.00 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2kma h ILE 121 CO 0.00 0.83 0.00 0.41 0.00 0.00 0.00 178.15 179.39 2kma n THR 122 N -3.67 0.00 -2.35 -0.27 -1.04 -1.19 -4.90 114.28 100.87 2kma n THR 122 Ca -0.20 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.39 2kma n THR 122 Cb 1.09 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.57 2kma n THR 122 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2kma s ASN 123 N 0.00 7.04 0.00 8.00 3.84 -1.26 -4.80 114.94 127.75 2kma s ASN 123 Ca 0.00 2.22 0.00 0.00 0.21 0.00 0.00 52.86 55.29 2kma s ASN 123 Cb 0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 2kma s ASN 123 CO 0.00 -0.43 0.00 0.00 -2.79 0.00 0.00 177.10 173.88 2kma n HIS 124 N 2.92 0.00 0.12 0.43 1.44 -1.26 -4.84 115.22 114.03 2kma n HIS 124 Ca 0.06 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 2kma n HIS 124 Cb 0.45 0.01 -0.00 0.00 0.12 0.00 0.00 29.99 30.56 2kma n HIS 124 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 2kma h ASP 125 N 0.00 0.00 -0.44 4.39 3.32 -1.97 -3.15 116.42 118.57 2kma h ASP 125 Ca 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 2kma h ASP 125 Cb 0.41 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 2kma h ASP 125 CO 0.00 0.58 0.16 -1.84 -1.72 0.00 0.00 179.24 176.43 2kma n GLU 126 N -3.24 2.66 -4.32 3.56 0.28 -1.26 -4.79 120.64 113.53 2kma n GLU 126 Ca 0.01 -1.83 -0.18 0.00 -0.16 0.00 0.00 57.16 55.00 2kma n GLU 126 Cb 0.77 -1.85 -0.15 0.00 1.43 0.00 0.00 31.44 31.64 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2kma s TYR 127 N -2.00 0.76 0.50 -1.84 2.02 -1.19 0.11 117.35 115.71 2kma s TYR 127 Ca 0.33 -0.16 0.04 0.00 -0.37 0.00 0.00 57.07 56.92 2kma s TYR 127 Cb 0.26 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 41.36 2kma s TYR 127 CO 0.08 -0.04 0.37 -1.13 -1.57 0.00 0.00 175.55 173.26 2kma n SER 128 N 3.03 2.59 -4.25 2.29 3.41 0.14 -4.77 113.62 116.05 2kma n SER 128 Ca -0.15 -2.71 -0.25 0.00 -0.26 0.00 0.00 58.87 55.50 2kma n SER 128 Cb 0.56 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 64.34 2kma n SER 128 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kma s LEU 129 N 0.00 2.19 -0.12 1.04 0.20 -1.24 -1.71 118.68 119.05 2kma s LEU 129 Ca 0.28 -0.55 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 2kma s LEU 129 Cb -0.02 -0.96 0.04 0.00 -0.43 0.00 0.00 46.19 44.82 2kma s LEU 129 CO 0.18 0.14 0.03 0.54 -0.29 0.00 0.00 176.35 176.95 2kma s VAL 130 N -0.86 0.32 -0.50 1.68 0.11 -0.33 0.13 120.40 120.95 2kma s VAL 130 Ca 0.07 -0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 58.87 2kma s VAL 130 Cb -0.09 -0.65 0.09 0.00 -1.53 0.00 0.00 36.38 34.20 2kma s VAL 130 CO 0.02 0.05 0.45 -0.13 -3.33 0.00 0.00 175.10 172.16 2kma s ARG 131 N 1.98 2.99 -0.57 1.54 0.52 0.18 0.17 118.95 125.76 2kma s ARG 131 Ca 0.03 -1.45 -0.25 0.00 -0.52 0.00 0.00 55.73 53.53 2kma s ARG 131 Cb -0.14 -4.19 0.04 0.00 0.52 0.00 0.00 34.95 31.17 2kma s ARG 131 CO -0.06 -1.16 1.03 -1.21 0.02 0.00 0.00 175.30 173.92 2kma s GLU 132 N 1.71 3.38 0.04 3.54 2.02 -0.79 -3.36 118.70 125.24 2kma s GLU 132 Ca 0.04 -0.12 0.00 0.00 0.02 0.00 0.00 54.97 54.92 2kma s GLU 132 Cb -0.26 -4.05 0.01 0.00 0.10 0.00 0.00 34.13 29.93 2kma s GLU 132 CO 0.06 -1.58 0.06 1.28 0.02 0.00 0.00 175.26 175.10 2kma n LEU 133 N 7.84 0.00 0.00 1.80 4.77 -1.21 -3.38 117.00 126.82 2kma n LEU 133 Ca 0.04 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2kma n LEU 133 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2kma n LEU 133 CO 0.66 -0.52 0.19 1.15 -1.33 0.00 0.00 177.39 177.55 2kma n MET 134 N -1.09 0.02 -1.46 3.23 0.00 -1.26 -4.82 117.12 111.73 2kma n MET 134 Ca 0.01 -0.38 -0.58 0.00 0.00 0.00 0.00 57.70 56.75 2kma n MET 134 Cb 0.04 -0.87 -0.08 0.00 0.00 0.00 0.00 33.22 32.31 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N -0.11 0.00 0.08 3.17 -0.58 -1.26 -4.82 120.64 117.12 2kma n GLU 135 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2kma n GLU 135 Cb 0.03 -1.45 0.44 0.00 -0.57 0.00 0.00 31.44 29.88 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2kma h GLU 136 N 3.00 0.36 0.00 3.49 4.11 -2.00 -2.86 114.58 120.67 2kma h GLU 136 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2kma h GLU 136 Cb 1.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2kma h GLU 136 CO 0.65 0.32 -0.11 0.87 0.07 0.00 0.00 179.01 180.81 2kma h LYS 137 N 0.36 0.00 0.00 1.06 1.57 -2.02 -3.44 116.57 114.09 2kma h LYS 137 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kma h LYS 137 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2kma h LYS 137 CO -0.01 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.50 2kma n LYS 138 N -2.81 0.00 -3.12 3.15 5.02 -1.26 -4.89 118.16 114.26 2kma n LYS 138 Ca -0.02 0.24 -0.22 0.00 -2.02 0.00 0.00 58.31 56.30 2kma n LYS 138 Cb 0.06 -1.01 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2kma n LYS 138 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kma n ASP 169 N -1.22 -4.76 -4.93 4.39 2.03 -1.08 -4.96 116.55 106.02 2kma n ASP 169 Ca 0.00 -0.28 -0.21 0.00 0.52 0.00 0.00 54.79 54.82 2kma n ASP 169 Cb 0.00 -3.90 0.05 0.00 -0.72 0.00 0.00 41.12 36.55 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 -5.77 2.42 0.33 -0.67 -6.30 -1.26 -4.84 118.70 102.60 2kma s GLU 170 Ca 0.31 -0.96 0.17 0.00 -2.50 0.00 0.00 54.97 52.00 2kma s GLU 170 Cb -0.16 -2.51 0.40 0.00 0.00 0.00 0.00 34.13 31.86 2kma s GLU 170 CO 0.39 -0.79 1.60 -0.07 0.02 0.00 0.00 175.26 176.41 2kma h LEU 171 N 0.05 0.00 -3.09 2.70 3.38 -1.94 -3.19 115.31 113.22 2kma h LEU 171 Ca -0.40 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.32 2kma h LEU 171 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2kma h LEU 171 CO 0.48 0.43 -0.69 0.59 0.09 0.00 0.00 178.44 179.34 2kma n ASN 172 N -3.36 -6.30 -4.52 -0.43 3.02 -1.21 0.49 115.26 102.95 2kma n ASN 172 Ca 0.01 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 2kma n ASN 172 Cb 0.62 -3.31 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 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 -2.69 2.46 0.12 3.10 0.52 -1.26 0.20 118.94 121.39 2kma s TRP 173 Ca 0.10 -0.20 -0.31 0.00 0.02 0.00 0.00 56.10 55.71 2kma s TRP 173 Cb -0.02 -4.48 -0.09 0.00 -1.15 0.00 0.00 33.47 27.74 2kma s TRP 173 CO 0.83 -1.87 1.48 -0.51 0.02 0.00 0.00 176.95 176.90 2kma s LEU 174 N 5.04 4.37 0.00 2.99 1.43 0.34 -4.88 118.68 127.97 2kma s LEU 174 Ca 0.31 2.43 0.30 0.00 -1.03 0.00 0.00 54.13 56.15 2kma s LEU 174 Cb -0.11 -3.58 1.58 0.00 0.03 0.00 0.00 46.19 44.10 2kma s LEU 174 CO 0.14 -0.74 2.05 -0.90 0.23 0.00 0.00 176.35 177.13 2kma n ASP 175 N 4.23 0.31 -0.35 2.29 5.75 -1.26 -3.59 116.55 123.94 2kma n ASP 175 Ca 0.13 -0.84 -0.04 0.00 -0.01 0.00 0.00 54.79 54.03 2kma n ASP 175 Cb 0.41 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.87 -0.04 0.00 2.11 8.25 -1.26 -4.87 115.22 118.54 2kma n HIS 176 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2kma n HIS 176 Cb 0.20 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 30.12 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 -2.19 0.00 3.77 -1.41 0.00 -1.26 -3.98 105.19 100.12 2kma n GLY 177 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2kma n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kma s ARG 178 N -1.56 4.23 0.48 1.61 6.06 -1.26 -4.83 118.95 123.68 2kma s ARG 178 Ca 0.00 2.40 -0.13 0.00 -2.50 0.00 0.00 55.73 55.50 2kma s ARG 178 Cb 0.00 -3.02 -0.07 0.00 0.06 0.00 0.00 34.95 31.92 2kma s ARG 178 CO 0.00 -0.37 0.89 0.95 -2.50 0.00 0.00 175.30 174.27 2kma s THR 179 N -1.07 4.67 0.11 4.11 -4.23 -1.26 -4.36 115.64 113.62 2kma s THR 179 Ca 0.51 0.88 -0.15 0.00 -1.18 0.00 0.00 61.69 61.76 2kma s THR 179 Cb -0.43 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.60 2kma s THR 179 CO 0.57 -0.69 1.48 -0.07 -0.54 0.00 0.00 174.62 175.38 2kma h LEU 180 N 0.86 0.73 -1.56 4.79 3.38 -1.81 0.38 115.31 122.09 2kma h LEU 180 Ca -0.47 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.11 2kma h LEU 180 Cb 1.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2kma h LEU 180 CO 0.62 0.97 0.30 -0.09 0.09 0.00 0.00 178.44 180.34 2kma h ARG 181 N 0.49 0.58 -0.01 1.13 2.43 -1.91 -2.22 114.38 114.88 2kma h ARG 181 Ca 0.08 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2kma h ARG 181 Cb 0.69 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2kma h ARG 181 CO 0.05 0.38 -0.82 1.49 -1.51 0.00 0.00 179.97 179.56 2kma h GLU 182 N 0.60 0.17 0.00 0.20 4.81 -1.71 -2.73 114.58 115.91 2kma h GLU 182 Ca 0.17 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kma h GLU 182 Cb -0.04 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2kma h GLU 182 CO -0.04 0.90 -0.20 1.96 -0.73 0.00 0.00 179.01 180.90 2kma h GLN 183 N 0.10 0.00 -1.82 1.92 4.20 -0.35 -3.47 115.11 115.69 2kma h GLN 183 Ca -0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.47 2kma h GLN 183 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2kma h GLN 183 CO 0.12 0.20 -0.28 0.41 -0.67 0.00 0.00 178.83 178.62 2kma n GLY 184 N -0.54 -0.00 3.91 3.46 0.00 -1.01 -5.03 105.19 105.97 2kma n GLY 184 Ca -0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.63 4.95 0.04 1.61 -7.23 -1.23 -5.06 120.40 110.84 2kma s VAL 185 Ca 0.05 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2kma s VAL 185 Cb -0.02 -3.82 0.01 0.00 0.56 0.00 0.00 36.38 33.11 2kma s VAL 185 CO 0.07 -0.64 0.05 -0.62 -0.31 0.00 0.00 175.10 173.66 2kma n GLU 186 N -1.74 0.84 -0.02 4.82 -0.58 -1.26 -4.90 120.64 117.80 2kma n GLU 186 Ca -0.01 -0.19 0.08 0.00 -0.42 0.00 0.00 57.16 56.62 2kma n GLU 186 Cb 0.55 -0.02 -0.16 0.00 -0.57 0.00 0.00 31.44 31.23 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 -1.09 0.66 0.00 3.49 1.02 -1.26 -4.39 120.64 119.06 2kma n GLU 187 Ca 0.01 -0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.11 2kma n GLU 187 Cb 0.04 -1.49 0.32 0.00 -0.02 0.00 0.00 31.44 30.29 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kma n HIS 188 N -2.28 0.00 -3.07 -0.32 1.44 -1.26 -4.28 115.22 105.45 2kma n HIS 188 Ca -0.07 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.24 2kma n HIS 188 Cb 0.62 -0.12 -0.06 0.00 0.12 0.00 0.00 29.99 30.55 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 -2.55 4.45 -0.13 -1.40 2.02 -1.26 -4.99 118.70 114.84 2kma s GLU 189 Ca 0.22 1.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.93 2kma s GLU 189 Cb 0.19 -3.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 2kma s GLU 189 CO 0.54 0.53 1.05 0.99 0.02 0.00 0.00 175.26 178.40 2kma s THR 190 N -0.91 4.67 -0.03 3.63 2.01 -1.22 -4.26 115.64 119.53 2kma s THR 190 Ca 0.34 1.96 0.03 0.00 0.31 0.00 0.00 61.69 64.33 2kma s THR 190 Cb -0.21 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 2kma s THR 190 CO 0.23 -0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.27 2kma s LEU 191 N 2.39 3.08 -0.05 4.42 2.01 0.19 -1.89 118.68 128.84 2kma s LEU 191 Ca 0.48 -0.13 0.05 0.00 0.01 0.00 0.00 54.13 54.55 2kma s LEU 191 Cb -0.18 -1.72 -0.02 0.00 0.01 0.00 0.00 46.19 44.27 2kma s LEU 191 CO 0.15 0.32 -0.21 -0.76 1.01 0.00 0.00 176.35 176.86 2kma s LEU 192 N -1.13 2.34 -0.16 1.79 1.43 0.13 -1.51 118.68 121.57 2kma s LEU 192 Ca 0.15 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.64 2kma s LEU 192 Cb -0.11 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2kma s LEU 192 CO 0.04 0.29 0.72 -0.22 0.23 0.00 0.00 176.35 177.41 2kma s LEU 193 N -0.43 4.20 0.08 1.79 0.20 -0.53 -1.18 118.68 122.82 2kma s LEU 193 Ca 0.05 1.04 0.09 0.00 0.69 0.00 0.00 54.13 56.00 2kma s LEU 193 Cb -0.12 -3.05 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 2kma s LEU 193 CO 0.01 -0.28 -0.25 -0.13 -0.29 0.00 0.00 176.35 175.42 2kma s ARG 194 N 1.71 1.48 -0.01 1.98 1.81 -0.69 -4.50 118.95 120.74 2kma s ARG 194 Ca 0.34 -1.18 -0.26 0.00 -1.72 0.00 0.00 55.73 52.92 2kma s ARG 194 Cb -0.16 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 32.51 2kma s ARG 194 CO 0.13 0.44 0.79 -0.98 -0.68 0.00 0.00 175.30 175.00 2kma s ARG 195 N -1.63 4.49 -0.19 3.54 1.70 -1.26 0.24 118.95 125.85 2kma s ARG 195 Ca 0.11 1.08 0.18 0.00 -0.47 0.00 0.00 55.73 56.63 2kma s ARG 195 Cb -0.10 -3.42 -0.25 0.00 -0.57 0.00 0.00 34.95 30.61 2kma s ARG 195 CO 0.04 0.12 0.10 1.17 -1.08 0.00 0.00 175.30 175.65 2kma n LYS 196 N 3.43 0.69 -4.47 3.89 4.81 0.31 -4.77 118.16 122.06 2kma n LYS 196 Ca 0.00 -0.01 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 2kma n LYS 196 Cb 0.51 -1.53 -0.09 0.00 0.02 0.00 0.00 35.03 33.94 2kma n LYS 196 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kma s PHE 197 N -2.54 1.79 -0.17 5.64 0.08 -0.79 -4.98 117.98 117.02 2kma s PHE 197 Ca -0.10 -1.21 0.21 0.00 0.12 0.00 0.00 56.93 55.95 2kma s PHE 197 Cb 0.06 -1.14 0.43 0.00 -0.57 0.00 0.00 43.02 41.80 2kma s PHE 197 CO 0.83 -0.25 1.18 1.97 -0.10 0.00 0.00 175.22 178.85 2kma n PHE 198 N -0.79 0.34 0.08 0.36 1.16 -1.26 -4.78 117.46 112.57 2kma n PHE 198 Ca -0.04 -1.43 -0.04 0.00 -1.87 0.00 0.00 57.45 54.07 2kma n PHE 198 Cb 0.65 0.08 0.15 0.00 -1.61 0.00 0.00 39.48 38.76 2kma n PHE 198 CO 0.00 0.00 0.00 0.10 -1.87 0.00 0.00 176.76 174.99 2kma h TYR 199 N 1.68 0.32 -6.06 2.97 -0.00 -1.95 -3.48 116.97 110.44 2kma h TYR 199 Ca -0.24 -0.11 -0.33 0.00 0.00 0.00 0.00 58.73 58.05 2kma h TYR 199 Cb 1.48 -0.06 0.06 0.00 0.00 0.00 0.00 36.73 38.21 2kma h TYR 199 CO 0.27 0.73 -0.75 0.43 -0.00 0.00 0.00 178.16 178.84 2kma n SER 200 N -3.93 -5.92 0.00 0.10 7.64 -1.26 -1.72 113.62 108.53 2kma n SER 200 Ca -0.02 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2kma n SER 200 Cb 0.57 -3.66 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 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 -2.51 0.00 -0.75 6.43 2.03 -1.26 -5.14 116.55 115.34 2kma n ASP 201 Ca -0.11 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.29 2kma n ASP 201 Cb 0.59 -0.25 0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2kma n ASP 201 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28