#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma n ILE -4 N 0.00 5.06 -3.15 -0.61 5.41 -1.26 -5.02 119.36 119.79 2kma n ILE -4 Ca 0.00 -5.55 -0.39 0.00 1.00 0.00 0.00 62.75 57.81 2kma n ILE -4 Cb 0.00 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 36.70 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2kma s ASP -3 N -0.92 7.00 0.85 4.38 1.01 -1.26 -5.07 116.67 122.66 2kma s ASP -3 Ca 0.33 1.19 -0.11 0.00 0.71 0.00 0.00 52.55 54.67 2kma s ASP -3 Cb 0.05 -2.38 0.10 0.00 1.01 0.00 0.00 42.92 41.69 2kma s ASP -3 CO 0.07 0.05 1.09 -2.84 0.21 0.00 0.00 175.17 173.76 2kma s PRO -2 N 0.01 1.65 -0.49 8.23 0.02 -1.26 -4.28 135.00 138.88 2kma s PRO -2 Ca 0.33 0.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.21 2kma s PRO -2 Cb -0.18 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.50 2kma s PRO -2 CO 0.18 -1.99 0.39 1.97 -0.33 0.00 0.00 177.00 177.22 2kma n PHE -1 N -3.72 -1.37 0.00 6.54 -1.74 -1.26 -4.99 117.46 110.91 2kma n PHE -1 Ca 0.08 0.57 0.00 0.00 -0.56 0.00 0.00 57.45 57.53 2kma n PHE -1 Cb 0.55 -1.66 0.00 0.00 1.52 0.00 0.00 39.48 39.89 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2kma n THR 0 N -1.59 0.00 -0.83 1.97 -2.24 -1.26 -4.79 114.28 105.54 2kma n THR 0 Ca -0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2kma n THR 0 Cb 0.45 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.60 -3.22 -0.78 1.56 -1.26 -4.22 117.12 110.80 2kma n MET 1 Ca 0.00 -0.89 -0.16 0.00 -0.27 0.00 0.00 57.70 56.38 2kma n MET 1 Cb 0.00 -1.53 -0.06 0.00 2.15 0.00 0.00 33.22 33.78 2kma n MET 1 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2kma s VAL 2 N -0.53 -0.32 0.08 1.12 -7.23 -1.26 -5.13 120.40 107.12 2kma s VAL 2 Ca 0.31 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2kma s VAL 2 Cb 0.18 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 2kma s VAL 2 CO -0.03 -0.62 -0.13 0.00 -0.31 0.00 0.00 175.10 174.01 2kma s ALA 3 N 0.89 1.16 -0.19 1.32 0.00 -1.26 -4.15 121.76 119.53 2kma s ALA 3 Ca 0.25 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2kma s ALA 3 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2kma s ALA 3 CO -0.08 0.12 -0.00 -0.51 0.00 0.00 0.00 175.76 175.29 2kma s LEU 4 N -1.89 3.31 -0.61 0.00 1.02 0.22 -4.75 118.68 115.99 2kma s LEU 4 Ca -0.01 -0.15 -0.20 0.00 0.02 0.00 0.00 54.13 53.79 2kma s LEU 4 Cb -0.09 -1.83 0.10 0.00 0.02 0.00 0.00 46.19 44.39 2kma s LEU 4 CO 0.02 0.10 0.76 -0.44 0.02 0.00 0.00 176.35 176.81 2kma s SER 5 N 0.78 6.18 -0.19 2.29 0.01 -1.26 -0.87 113.70 120.64 2kma s SER 5 Ca 0.00 -1.35 -0.04 0.00 1.31 0.00 0.00 55.95 55.87 2kma s SER 5 Cb -0.14 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2kma s SER 5 CO 0.02 -1.18 -0.04 -0.76 0.41 0.00 0.00 173.24 171.69 2kma s LEU 6 N 2.95 3.09 -0.18 2.44 1.43 -0.36 -1.24 118.68 126.82 2kma s LEU 6 Ca 0.14 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 2kma s LEU 6 Cb -0.23 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2kma s LEU 6 CO 0.07 0.08 1.05 -0.54 0.23 0.00 0.00 176.35 177.24 2kma s LYS 7 N 0.92 4.32 -0.54 1.70 1.02 -0.68 -2.59 119.74 123.89 2kma s LYS 7 Ca -0.00 1.41 -0.17 0.00 0.02 0.00 0.00 55.97 57.22 2kma s LYS 7 Cb -0.15 -3.61 0.10 0.00 -0.52 0.00 0.00 37.83 33.66 2kma s LYS 7 CO 0.01 -0.52 0.55 0.42 -0.92 0.00 0.00 175.35 174.89 2kma s ILE 8 N 2.77 5.08 -0.37 2.17 -1.09 0.22 0.55 121.20 130.52 2kma s ILE 8 Ca 0.47 -1.16 -0.22 0.00 -2.23 0.00 0.00 60.65 57.51 2kma s ILE 8 Cb -0.17 -4.33 0.01 0.00 -1.58 0.00 0.00 42.46 36.39 2kma s ILE 8 CO 0.11 -0.87 0.70 -0.94 -1.23 0.00 0.00 174.94 172.71 2kma s SER 9 N 3.29 6.46 -0.82 3.58 1.04 -1.17 -0.08 113.70 126.01 2kma s SER 9 Ca 0.07 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.62 2kma s SER 9 Cb -0.26 -2.35 0.21 0.00 0.10 0.00 0.00 66.02 63.71 2kma s SER 9 CO 0.06 -0.67 0.71 -0.63 0.98 0.00 0.00 173.24 173.68 2kma s ILE 10 N 2.89 4.54 0.00 -1.02 1.01 0.27 -2.12 121.20 126.77 2kma s ILE 10 Ca 0.27 -3.31 0.00 0.00 0.00 0.00 0.00 60.65 57.61 2kma s ILE 10 Cb -0.14 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2kma s ILE 10 CO 0.16 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 174.69 2kma n GLY 11 N 3.00 2.31 0.00 6.18 0.00 -1.26 -3.13 105.19 112.30 2kma n GLY 11 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 5.66 4.06 -4.76 1.61 5.15 -1.26 -5.06 115.26 120.65 2kma n ASN 12 Ca 0.00 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.64 2kma n ASN 12 Cb 0.00 0.18 0.05 0.00 -0.53 0.00 0.00 39.78 39.48 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 -1.92 3.05 -0.08 3.44 0.11 -1.18 -5.04 120.40 118.77 2kma s VAL 13 Ca 0.00 0.52 0.01 0.00 -2.93 0.00 0.00 61.98 59.57 2kma s VAL 13 Cb 0.00 -3.06 0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2kma s VAL 13 CO 0.00 -0.27 -0.07 0.54 -3.33 0.00 0.00 175.10 171.96 2kma s VAL 14 N -2.18 0.87 0.06 2.04 0.11 -1.26 -0.56 120.40 119.48 2kma s VAL 14 Ca 0.69 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.56 2kma s VAL 14 Cb -0.23 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2kma s VAL 14 CO 0.40 0.32 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.72 2kma s LYS 15 N 1.20 1.42 -0.25 1.54 -0.14 0.89 -4.95 119.74 119.45 2kma s LYS 15 Ca -0.05 -1.05 -0.08 0.00 -1.36 0.00 0.00 55.97 53.43 2kma s LYS 15 Cb -0.14 -1.61 -0.03 0.00 -1.68 0.00 0.00 37.83 34.37 2kma s LYS 15 CO -0.02 0.40 0.08 0.99 -0.76 0.00 0.00 175.35 176.04 2kma s THR 16 N -0.89 4.39 0.05 2.17 2.01 -1.26 0.72 115.64 122.84 2kma s THR 16 Ca 0.09 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 61.99 2kma s THR 16 Cb -0.09 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2kma s THR 16 CO 0.03 0.33 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.12 2kma s MET 17 N 1.61 0.81 -0.05 4.92 -1.94 -1.07 -4.98 119.30 118.60 2kma s MET 17 Ca 0.06 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.24 2kma s MET 17 Cb -0.15 -0.79 -0.03 0.00 2.01 0.00 0.00 34.83 35.87 2kma s MET 17 CO 0.04 0.18 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.50 2kma s GLN 18 N -1.41 2.64 0.16 2.03 -0.21 -1.26 -1.22 119.66 120.39 2kma s GLN 18 Ca -0.01 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.80 2kma s GLN 18 Cb -0.09 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 2kma s GLN 18 CO 0.02 0.64 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.65 2kma s PHE 19 N -0.82 1.41 0.60 0.91 0.40 -0.05 -4.89 117.98 115.53 2kma s PHE 19 Ca 0.13 -0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 55.60 2kma s PHE 19 Cb -0.11 -0.69 -0.03 0.00 0.51 0.00 0.00 43.02 42.70 2kma s PHE 19 CO 0.02 0.17 1.12 -1.21 0.70 0.00 0.00 175.22 176.02 2kma s GLU 20 N -3.62 3.09 0.27 0.44 2.02 -1.26 0.71 118.70 120.34 2kma s GLU 20 Ca 0.18 1.50 -0.01 0.00 0.02 0.00 0.00 54.97 56.66 2kma s GLU 20 Cb 0.01 -1.98 0.60 0.00 0.10 0.00 0.00 34.13 32.86 2kma s GLU 20 CO 0.03 -1.04 1.66 -1.35 0.02 0.00 0.00 175.26 174.58 2kma h PRO 21 N 0.63 0.23 0.00 0.39 0.11 -1.92 -3.11 132.00 128.33 2kma h PRO 21 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kma h PRO 21 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kma h PRO 21 CO 0.56 0.15 0.00 0.45 -0.21 0.00 0.00 178.00 178.95 2kma n SER 22 N -5.20 0.00 0.00 -2.05 2.88 -1.26 -0.54 113.62 107.45 2kma n SER 22 Ca 0.18 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2kma n SER 22 Cb 0.59 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2kma n SER 22 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kma n THR 23 N -1.58 0.00 0.00 2.46 -1.04 -1.18 -1.50 114.28 111.44 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 -0.37 -2.82 1.56 -1.26 -4.38 117.12 109.85 2kma n MET 24 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.45 2kma n MET 24 Cb 0.00 0.00 0.09 0.00 2.15 0.00 0.00 33.22 35.46 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 0.00 -0.27 1.12 2.07 -1.77 0.33 116.25 117.74 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 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2kma h VAL 25 CO 0.00 0.00 0.18 0.10 0.02 0.00 0.00 177.57 177.87 2kma h TYR 26 N -0.00 0.33 0.07 1.57 -0.00 -1.88 0.14 116.97 117.20 2kma h TYR 26 Ca 0.41 0.01 -0.24 0.00 0.00 0.00 0.00 58.73 58.91 2kma h TYR 26 Cb 0.66 -0.11 0.02 0.00 0.00 0.00 0.00 36.73 37.30 2kma h TYR 26 CO -0.82 0.21 -0.98 0.22 -0.00 0.00 0.00 178.16 176.78 2kma h ASP 27 N 0.36 0.75 -0.16 0.10 3.58 -0.61 -3.07 116.42 117.36 2kma h ASP 27 Ca 0.10 -0.80 0.02 0.00 0.42 0.00 0.00 57.03 56.77 2kma h ASP 27 Cb -0.03 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 2kma h ASP 27 CO -0.02 1.47 0.01 0.00 -2.88 0.00 0.00 179.24 177.82 2kma h ALA 28 N 0.29 0.15 -0.59 -0.78 0.00 -0.38 -2.54 119.26 115.41 2kma h ALA 28 Ca -0.14 0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2kma h ALA 28 Cb 1.68 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2kma h ALA 28 CO 0.19 -0.43 0.41 0.00 0.00 0.00 0.00 179.25 179.42 2kma h ARG 30 N 0.20 0.51 -0.01 0.00 0.11 -1.36 -3.03 114.38 110.79 2kma h ARG 30 Ca 0.28 -0.74 -0.10 0.00 0.10 0.00 0.00 59.98 59.53 2kma h ARG 30 Cb 0.84 0.25 0.01 0.00 1.11 0.00 0.00 29.97 32.18 2kma h ARG 30 CO -0.05 1.33 -0.37 0.52 0.10 0.00 0.00 179.97 181.50 2kma h MET 31 N 0.20 0.27 -0.48 0.08 2.86 -1.11 -2.54 114.93 114.21 2kma h MET 31 Ca -0.18 -0.28 0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2kma h MET 31 Cb 1.95 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.65 2kma h MET 31 CO 0.23 0.98 0.26 0.97 1.06 0.00 0.00 176.91 180.41 2kma h ILE 32 N -0.33 0.99 0.00 -1.22 2.10 -1.21 0.22 117.51 118.05 2kma h ILE 32 Ca -0.04 -0.17 -0.03 0.00 1.08 0.00 0.00 64.86 65.69 2kma h ILE 32 Cb 1.10 0.43 -0.00 0.00 -1.09 0.00 0.00 36.82 37.26 2kma h ILE 32 CO 0.07 0.09 -0.14 0.03 -1.08 0.00 0.00 178.15 177.13 2kma h ARG 33 N 0.51 0.00 -0.14 2.19 3.08 -1.62 0.35 114.38 118.75 2kma h ARG 33 Ca 0.21 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.07 2kma h ARG 33 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.15 2kma h ARG 33 CO -0.13 0.14 -0.65 1.49 -1.07 0.00 0.00 179.97 179.75 2kma h GLU 34 N 0.00 0.68 0.00 0.04 4.57 -0.39 -3.36 114.58 116.12 2kma h GLU 34 Ca -0.00 -0.55 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 2kma h GLU 34 Cb 0.27 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2kma h GLU 34 CO 0.02 1.17 -0.10 0.00 -1.18 0.00 0.00 179.01 178.91 2kma h ARG 35 N 0.36 0.00 -4.58 1.92 2.47 -0.37 -3.45 114.38 110.74 2kma h ARG 35 Ca -0.04 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 57.97 2kma h ARG 35 Cb 1.29 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.37 2kma h ARG 35 CO 0.14 0.64 -0.50 0.42 0.56 0.00 0.00 179.97 181.23 2kma s ILE 36 N -2.01 4.75 -1.30 2.04 1.01 0.12 -4.92 121.20 120.88 2kma s ILE 36 Ca -0.13 -0.78 0.23 0.00 0.00 0.00 0.00 60.65 59.97 2kma s ILE 36 Cb -0.01 -3.63 0.33 0.00 0.01 0.00 0.00 42.46 39.16 2kma s ILE 36 CO 0.44 -0.23 1.73 -0.81 0.00 0.00 0.00 174.94 176.07 2kma n PRO 37 N 5.04 0.23 0.01 2.79 -0.04 -1.26 -2.43 135.00 139.33 2kma n PRO 37 Ca -0.12 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.55 2kma n PRO 37 Cb 0.46 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.78 2kma n PRO 37 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kma n GLU 38 N -1.35 0.02 0.02 0.54 2.13 -1.26 -3.98 120.64 116.76 2kma n GLU 38 Ca 0.09 0.01 -0.19 0.00 0.66 0.00 0.00 57.16 57.73 2kma n GLU 38 Cb 0.20 -1.52 -0.12 0.00 0.27 0.00 0.00 31.44 30.28 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kma h ALA 39 N 2.96 0.05 -0.63 4.31 0.00 -1.80 -3.33 119.26 120.82 2kma h ALA 39 Ca 0.00 -0.62 -0.56 0.00 0.00 0.00 0.00 54.91 53.73 2kma h ALA 39 Cb 0.52 0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.17 2kma h ALA 39 CO 0.00 0.43 0.59 1.47 0.00 0.00 0.00 179.25 181.74 2kma n LEU 40 N -4.12 6.73 0.29 0.00 -0.00 -1.26 -4.62 117.00 114.02 2kma n LEU 40 Ca -0.11 -4.25 0.16 0.00 -0.00 0.00 0.00 56.01 51.81 2kma n LEU 40 Cb 0.75 -1.21 0.86 0.00 -0.00 0.00 0.00 43.42 43.82 2kma n LEU 40 CO 0.49 1.75 1.05 0.00 -0.00 0.00 0.00 177.39 180.68 2kma h ALA 41 N 3.07 1.22 -3.00 1.47 0.00 -1.80 -3.44 119.26 116.78 2kma h ALA 41 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2kma h ALA 41 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kma h ALA 41 CO 1.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.74 2kma n GLY 42 N -0.77 5.16 3.60 0.00 0.00 -1.26 -5.07 105.19 106.83 2kma n GLY 42 Ca -0.02 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 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 2.72 3.55 0.60 1.61 0.04 -1.26 -4.89 135.00 137.36 2kma s PRO 43 Ca 0.00 0.76 0.30 0.00 0.04 0.00 0.00 61.00 62.10 2kma s PRO 43 Cb 0.00 -4.02 1.76 0.00 0.04 0.00 0.00 34.50 32.28 2kma s PRO 43 CO 0.00 -1.60 2.17 -1.00 0.04 0.00 0.00 177.00 176.61 2kma h PRO 44 N 10.45 0.00 -0.13 0.56 0.13 -1.94 0.43 132.00 141.49 2kma h PRO 44 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kma h PRO 44 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2kma h PRO 44 CO 1.11 0.00 0.09 -0.91 -0.23 0.00 0.00 178.00 178.06 2kma h ASN 45 N 0.00 0.14 -0.49 1.44 2.35 -2.01 -1.57 115.58 115.45 2kma h ASN 45 Ca 0.05 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2kma h ASN 45 Cb 0.29 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2kma h ASN 45 CO -0.00 0.10 0.00 0.47 -1.65 0.00 0.00 177.43 176.35 2kma n ASP 46 N -4.52 4.43 -4.47 5.81 8.00 0.13 -4.90 116.55 121.05 2kma n ASP 46 Ca -0.01 -2.62 -0.37 0.00 0.71 0.00 0.00 54.79 52.50 2kma n ASP 46 Cb 0.08 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.53 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 -2.15 3.14 0.48 1.24 0.40 -0.59 0.68 117.98 121.18 2kma s PHE 47 Ca 0.45 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 2kma s PHE 47 Cb 0.32 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 2kma s PHE 47 CO 0.18 -0.36 0.07 0.20 0.70 0.00 0.00 175.22 176.00 2kma s GLY 48 N 1.64 2.95 -0.44 4.36 0.00 0.22 -4.90 107.32 111.14 2kma s GLY 48 Ca 0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 2kma s GLY 48 CO 0.06 -2.05 0.36 1.08 0.00 0.00 0.00 173.10 172.55 2kma s LEU 49 N -3.79 5.33 -0.13 0.66 1.43 -1.26 -2.12 118.68 118.81 2kma s LEU 49 Ca 0.10 -1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 2kma s LEU 49 Cb 0.01 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2kma s LEU 49 CO 0.07 -0.56 0.36 0.12 0.23 0.00 0.00 176.35 176.57 2kma s PHE 50 N 1.71 3.51 -0.41 0.29 5.36 0.74 0.58 117.98 129.76 2kma s PHE 50 Ca 0.05 0.73 -0.20 0.00 -0.96 0.00 0.00 56.93 56.56 2kma s PHE 50 Cb -0.21 -2.40 0.02 0.00 -0.34 0.00 0.00 43.02 40.09 2kma s PHE 50 CO 0.09 0.27 0.59 -1.17 -1.46 0.00 0.00 175.22 173.54 2kma s LEU 51 N 0.31 4.50 -1.29 6.12 1.98 0.17 0.53 118.68 131.00 2kma s LEU 51 Ca 0.20 -0.29 -0.18 0.00 -2.89 0.00 0.00 54.13 50.98 2kma s LEU 51 Cb -0.14 -2.66 0.02 0.00 0.66 0.00 0.00 46.19 44.06 2kma s LEU 51 CO 0.07 -0.69 1.96 -1.20 -1.89 0.00 0.00 176.35 174.60 2kma n SER 52 N 6.07 4.08 0.37 3.68 7.64 -0.87 -3.21 113.62 131.38 2kma n SER 52 Ca -0.03 -2.84 -0.16 0.00 1.01 0.00 0.00 58.87 56.85 2kma n SER 52 Cb 0.48 -1.65 -0.08 0.00 -1.01 0.00 0.00 64.21 61.95 2kma n SER 52 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2kma h ASP 53 N 7.29 -0.80 0.00 6.43 3.58 -1.86 -3.41 116.42 127.65 2kma h ASP 53 Ca 0.46 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 2kma h ASP 53 Cb 0.77 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2kma h ASP 53 CO 1.64 -0.46 0.00 -0.67 -2.88 0.00 0.00 179.24 176.87 2kma n ASP 54 N -5.43 -1.54 -4.55 2.28 2.03 -1.26 -4.98 116.55 103.10 2kma n ASP 54 Ca -0.13 0.53 -0.30 0.00 0.52 0.00 0.00 54.79 55.42 2kma n ASP 54 Cb 0.39 1.68 -0.10 0.00 -0.72 0.00 0.00 41.12 42.36 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 -2.00 4.28 0.47 1.67 -1.08 -1.26 -5.00 116.67 113.75 2kma s ASP 55 Ca 0.00 -0.39 0.25 0.00 -0.52 0.00 0.00 52.55 51.89 2kma s ASP 55 Cb 0.00 -0.80 1.29 0.00 -1.46 0.00 0.00 42.92 41.95 2kma s ASP 55 CO 0.00 0.20 1.84 1.55 0.52 0.00 0.00 175.17 179.27 2kma h PRO 56 N 3.84 0.21 0.00 4.34 0.13 -1.95 0.27 132.00 138.83 2kma h PRO 56 Ca -0.49 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 2kma h PRO 56 Cb 1.17 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2kma h PRO 56 CO 0.51 0.14 -1.11 0.87 -0.23 0.00 0.00 178.00 178.17 2kma h LYS 57 N 0.21 0.00 0.00 0.86 1.57 -1.96 -3.19 116.57 114.06 2kma h LYS 57 Ca 0.50 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.17 2kma h LYS 57 Cb 1.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 2kma h LYS 57 CO -0.13 0.90 -0.56 0.87 -0.57 0.00 0.00 179.45 179.96 2kma h LYS 58 N 0.00 0.00 -7.78 3.15 1.57 -1.21 -3.45 116.57 108.86 2kma h LYS 58 Ca -0.06 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.28 2kma h LYS 58 Cb 1.80 0.00 0.17 0.00 0.08 0.00 0.00 32.23 34.28 2kma h LYS 58 CO 0.12 0.56 0.39 0.20 -0.57 0.00 0.00 179.45 180.15 2kma s GLY 59 N -4.47 1.77 0.17 3.86 0.00 0.71 -4.78 107.32 104.58 2kma s GLY 59 Ca 0.01 -1.20 -0.09 0.00 0.00 0.00 0.00 44.72 43.44 2kma s GLY 59 CO 0.74 -0.40 0.30 -0.26 0.00 0.00 0.00 173.10 173.48 2kma s ILE 60 N -3.79 0.06 -0.24 0.90 -4.36 -1.20 -4.95 121.20 107.62 2kma s ILE 60 Ca 0.74 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 59.59 2kma s ILE 60 Cb -0.04 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.78 2kma s ILE 60 CO 0.54 -0.27 0.43 0.26 0.24 0.00 0.00 174.94 176.13 2kma s TRP 61 N -3.97 3.30 -0.45 1.37 0.52 -1.26 -0.66 118.94 117.79 2kma s TRP 61 Ca 0.18 0.56 -0.28 0.00 0.02 0.00 0.00 56.10 56.57 2kma s TRP 61 Cb 0.03 -2.61 0.03 0.00 -1.15 0.00 0.00 33.47 29.77 2kma s TRP 61 CO 0.00 -0.17 1.08 -0.51 0.02 0.00 0.00 176.95 177.37 2kma s LEU 62 N 1.89 3.76 0.48 2.99 1.43 0.20 -4.99 118.68 124.43 2kma s LEU 62 Ca 0.18 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 2kma s LEU 62 Cb -0.15 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 2kma s LEU 62 CO 0.09 -1.14 0.86 -1.83 0.23 0.00 0.00 176.35 174.56 2kma s GLU 63 N 4.16 3.73 0.46 1.70 -1.05 -1.26 -4.16 118.70 122.28 2kma s GLU 63 Ca 0.45 0.56 0.31 0.00 -0.15 0.00 0.00 54.97 56.15 2kma s GLU 63 Cb -0.09 -2.28 1.53 0.00 -0.44 0.00 0.00 34.13 32.86 2kma s GLU 63 CO 0.28 -0.22 1.95 0.00 0.95 0.00 0.00 175.26 178.22 2kma h ALA 64 N 0.69 1.00 0.00 -0.84 0.00 -1.95 -2.88 119.26 115.28 2kma h ALA 64 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kma h ALA 64 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kma h ALA 64 CO 0.63 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2kma n GLY 65 N -0.63 -0.88 3.26 0.00 0.00 -1.26 -4.54 105.19 101.14 2kma n GLY 65 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.92 0.79 1.61 0.00 -1.09 -5.12 119.74 114.89 2kma s LYS 66 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 55.97 55.21 2kma s LYS 66 Cb 0.00 0.39 0.15 0.00 0.00 0.00 0.00 37.83 38.38 2kma s LYS 66 CO 0.00 -0.32 1.08 0.00 0.00 0.00 0.00 175.35 176.11 2kma s ALA 67 N -3.43 3.40 -0.12 0.59 0.00 -1.26 -3.36 121.76 117.58 2kma s ALA 67 Ca 0.01 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 2kma s ALA 67 Cb 0.02 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 2kma s ALA 67 CO -0.09 -1.73 0.17 -0.07 0.00 0.00 0.00 175.76 174.04 2kma h LEU 68 N -0.81 0.00 -0.14 0.00 3.38 -1.33 -3.33 115.31 113.08 2kma h LEU 68 Ca -0.37 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2kma h LEU 68 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.38 0.69 0.00 -0.67 0.09 0.00 0.00 178.44 178.92 2kma n ASP 69 N -4.71 0.12 -0.35 -0.43 2.03 0.30 -0.96 116.55 112.55 2kma n ASP 69 Ca -0.04 0.53 0.04 0.00 0.52 0.00 0.00 54.79 55.84 2kma n ASP 69 Cb 0.17 -0.56 0.19 0.00 -0.72 0.00 0.00 41.12 40.21 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 1.11 -1.29 -0.67 3.20 -1.78 -3.42 116.97 114.12 2kma h TYR 70 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kma h TYR 70 Cb 0.23 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2kma h TYR 70 CO 0.00 0.51 0.00 0.66 -1.64 0.00 0.00 178.16 177.69 2kma n TYR 71 N -4.59 -0.17 -3.00 -3.82 4.01 -0.13 -5.00 117.16 104.46 2kma n TYR 71 Ca 0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.49 2kma n TYR 71 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 -0.04 4.39 -4.41 -0.72 2.81 -1.26 -4.99 117.12 112.90 2kma n MET 72 Ca 0.00 -4.59 -0.24 0.00 -1.81 0.00 0.00 57.70 51.06 2kma n MET 72 Cb 0.00 -2.48 -0.13 0.00 -0.71 0.00 0.00 33.22 29.90 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 -2.95 2.25 0.00 4.03 1.43 -1.26 -5.04 118.68 117.13 2kma s LEU 73 Ca 0.33 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2kma s LEU 73 Cb 0.08 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2kma s LEU 73 CO 0.07 0.09 0.00 -2.11 0.23 0.00 0.00 176.35 174.63 2kma n ARG 74 N 1.38 0.00 -1.66 1.70 -4.01 -1.26 -4.58 116.66 108.23 2kma n ARG 74 Ca -0.19 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.26 2kma n ARG 74 Cb 0.53 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.92 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 2kma s ASN 75 N 0.38 4.61 0.00 2.89 0.01 -1.26 -1.85 114.94 119.72 2kma s ASN 75 Ca 0.00 0.92 0.00 0.00 -0.71 0.00 0.00 52.86 53.07 2kma s ASN 75 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2kma s ASN 75 CO 0.00 -2.78 0.00 0.61 -1.51 0.00 0.00 177.10 173.42 2kma n GLY 76 N 5.94 1.24 3.75 0.66 0.00 -0.37 -4.88 105.19 111.52 2kma n GLY 76 Ca 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.26 7.12 -0.07 1.61 1.01 -0.77 -4.78 116.67 120.53 2kma s ASP 77 Ca 0.00 2.30 -0.22 0.00 0.71 0.00 0.00 52.55 55.34 2kma s ASP 77 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2kma s ASP 77 CO 0.00 -0.30 0.62 -0.89 0.21 0.00 0.00 175.17 174.81 2kma s THR 78 N -0.60 5.06 -0.21 -1.27 2.01 -1.26 -1.69 115.64 117.68 2kma s THR 78 Ca 0.49 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.78 2kma s THR 78 Cb -0.33 -3.96 0.05 0.00 0.01 0.00 0.00 72.50 68.27 2kma s THR 78 CO 0.40 0.30 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.26 2kma s MET 79 N 0.57 1.56 -0.09 4.92 1.75 0.19 -2.05 119.30 126.14 2kma s MET 79 Ca 0.33 -0.81 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 2kma s MET 79 Cb -0.17 -2.39 -0.02 0.00 2.84 0.00 0.00 34.83 35.09 2kma s MET 79 CO 0.16 -0.54 1.08 -2.00 -0.65 0.00 0.00 175.02 173.07 2kma s GLU 80 N 1.49 4.39 -0.56 4.11 2.12 0.19 -3.03 118.70 127.41 2kma s GLU 80 Ca -0.03 1.50 -0.17 0.00 0.36 0.00 0.00 54.97 56.62 2kma s GLU 80 Cb -0.17 -3.55 0.12 0.00 0.26 0.00 0.00 34.13 30.78 2kma s GLU 80 CO -0.07 -0.38 0.57 -0.47 -0.54 0.00 0.00 175.26 174.37 2kma s TYR 81 N 2.15 3.17 0.22 5.30 5.04 -0.90 -0.19 117.35 132.14 2kma s TYR 81 Ca 0.51 -1.18 0.02 0.00 -2.44 0.00 0.00 57.07 53.97 2kma s TYR 81 Cb -0.20 -3.87 -0.05 0.00 0.35 0.00 0.00 41.96 38.18 2kma s TYR 81 CO 0.19 -1.11 0.05 -0.98 -1.34 0.00 0.00 175.55 172.35 2kma s ARG 82 N 1.96 1.27 -0.03 4.97 1.70 -0.90 -4.52 118.95 123.41 2kma s ARG 82 Ca 0.06 -1.65 -0.30 0.00 -0.47 0.00 0.00 55.73 53.36 2kma s ARG 82 Cb -0.28 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 2kma s ARG 82 CO 0.04 -0.20 1.28 0.21 -1.08 0.00 0.00 175.30 175.55 2kma s LYS 83 N -3.97 4.33 0.55 3.89 2.20 -1.26 -0.61 119.74 124.86 2kma s LYS 83 Ca 0.31 1.80 0.27 0.00 -0.36 0.00 0.00 55.97 57.99 2kma s LYS 83 Cb 0.07 -3.55 1.57 0.00 -1.51 0.00 0.00 37.83 34.41 2kma s LYS 83 CO 0.09 -0.49 2.16 0.87 -0.36 0.00 0.00 175.35 177.61 2kma h LYS 84 N 7.57 0.00 -5.86 4.03 1.57 -0.08 -3.41 116.57 120.39 2kma h LYS 84 Ca -0.36 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.79 2kma h LYS 84 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2kma h LYS 84 CO 0.89 0.06 -0.47 1.14 -0.57 0.00 0.00 179.45 180.50 2kma s GLN 85 N -4.50 3.47 0.13 3.15 -2.07 -1.26 0.21 119.66 118.79 2kma s GLN 85 Ca -0.04 -0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.24 2kma s GLN 85 Cb 0.15 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.95 2kma s GLN 85 CO 0.58 0.65 -0.10 -0.98 -1.32 0.00 0.00 175.29 174.12 2kma s ARG 86 N -2.07 0.99 -0.43 9.60 1.04 -0.99 -4.78 118.95 122.31 2kma s ARG 86 Ca 0.30 -1.35 -0.27 0.00 -1.04 0.00 0.00 55.73 53.37 2kma s ARG 86 Cb -0.13 -0.60 -0.04 0.00 -2.04 0.00 0.00 34.95 32.14 2kma s ARG 86 CO 0.21 0.08 2.05 -1.25 -0.04 0.00 0.00 175.30 176.35 2kma s PRO 87 N -3.40 2.76 -0.21 3.89 0.04 -1.26 -3.18 135.00 133.65 2kma s PRO 87 Ca 0.13 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.38 2kma s PRO 87 Cb 0.01 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 2kma s PRO 87 CO 0.00 -2.53 0.09 -0.51 0.04 0.00 0.00 177.00 174.09 2kma s LEU 88 N 9.20 3.82 -0.33 -3.56 1.43 -0.94 -4.64 118.68 123.67 2kma s LEU 88 Ca 0.85 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.79 2kma s LEU 88 Cb -0.20 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2kma s LEU 88 CO 0.28 0.11 0.59 -0.54 0.23 0.00 0.00 176.35 177.03 2kma s LYS 89 N 0.74 3.79 -0.06 1.70 3.01 -1.26 -2.04 119.74 125.61 2kma s LYS 89 Ca 0.05 0.12 0.06 0.00 -1.01 0.00 0.00 55.97 55.18 2kma s LYS 89 Cb -0.13 -3.76 -0.01 0.00 -1.01 0.00 0.00 37.83 32.92 2kma s LYS 89 CO 0.02 -0.62 -0.24 0.42 0.51 0.00 0.00 175.35 175.45 2kma s ILE 90 N 2.56 1.94 -0.19 2.17 -1.09 0.06 -0.04 121.20 126.62 2kma s ILE 90 Ca 0.23 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.60 2kma s ILE 90 Cb -0.15 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.06 2kma s ILE 90 CO 0.13 0.54 0.01 -0.60 -1.23 0.00 0.00 174.94 173.79 2kma s ARG 91 N -0.12 3.70 0.86 2.79 3.52 -0.45 -0.44 118.95 128.82 2kma s ARG 91 Ca -0.04 -0.48 -0.12 0.00 -0.13 0.00 0.00 55.73 54.96 2kma s ARG 91 Cb -0.13 -3.08 0.14 0.00 -1.56 0.00 0.00 34.95 30.32 2kma s ARG 91 CO 0.04 0.11 1.21 -1.64 -0.81 0.00 0.00 175.30 174.21 2kma s MET 92 N 0.75 1.31 0.44 5.12 -1.94 0.34 -1.57 119.30 123.75 2kma s MET 92 Ca 0.01 -0.32 0.11 0.00 -1.71 0.00 0.00 55.69 53.78 2kma s MET 92 Cb -0.14 -1.96 0.97 0.00 2.01 0.00 0.00 34.83 35.70 2kma s MET 92 CO 0.02 -1.94 2.03 -0.07 -0.01 0.00 0.00 175.02 175.05 2kma h LEU 93 N -1.24 0.20 -1.94 -0.03 -0.00 -1.88 0.25 115.31 110.68 2kma h LEU 93 Ca -0.44 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2kma h LEU 93 Cb 1.27 -0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2kma h LEU 93 CO 0.49 0.24 -0.01 -0.78 -0.00 0.00 0.00 178.44 178.38 2kma h ASP 94 N 0.22 0.00 0.00 -0.43 3.58 -1.97 -3.45 116.42 114.37 2kma h ASP 94 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kma h ASP 94 Cb 0.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2kma h ASP 94 CO 0.00 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2kma n GLY 95 N -0.33 1.01 3.75 -0.78 0.00 0.89 -5.08 105.19 104.65 2kma n GLY 95 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 4.62 -0.10 2.61 2.01 -1.23 -4.78 115.64 116.78 2kma s THR 96 Ca 0.00 1.70 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 2kma s THR 96 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 2kma s THR 96 CO 0.00 0.39 -0.04 0.68 -0.69 0.00 0.00 174.62 174.96 2kma s VAL 97 N -0.28 3.93 0.03 3.82 -7.23 -1.26 0.13 120.40 119.54 2kma s VAL 97 Ca 0.39 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2kma s VAL 97 Cb -0.21 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2kma s VAL 97 CO 0.25 0.57 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.98 2kma s LYS 98 N -0.50 0.44 -0.29 4.82 -2.85 0.42 -4.96 119.74 116.81 2kma s LYS 98 Ca 0.08 -0.79 -0.04 0.00 -1.00 0.00 0.00 55.97 54.22 2kma s LYS 98 Cb -0.12 0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.71 2kma s LYS 98 CO 0.02 -0.04 0.02 0.99 0.10 0.00 0.00 175.35 176.45 2kma s THR 99 N -2.01 3.37 0.08 3.79 2.01 -1.26 -0.76 115.64 120.87 2kma s THR 99 Ca -0.09 -1.05 0.09 0.00 0.31 0.00 0.00 61.69 60.95 2kma s THR 99 Cb -0.06 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2kma s THR 99 CO -0.03 0.01 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.19 2kma s ILE 100 N 1.37 2.56 -0.41 1.82 -1.16 -0.87 -4.87 121.20 119.64 2kma s ILE 100 Ca -0.01 -1.42 -0.22 0.00 -0.51 0.00 0.00 60.65 58.49 2kma s ILE 100 Cb -0.18 -2.10 0.02 0.00 0.61 0.00 0.00 42.46 40.81 2kma s ILE 100 CO -0.00 0.24 0.71 -0.04 -2.81 0.00 0.00 174.94 173.03 2kma s MET 101 N -1.69 3.50 -0.09 3.50 -1.94 -1.26 -2.21 119.30 119.10 2kma s MET 101 Ca 0.15 -0.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.10 2kma s MET 101 Cb -0.10 -3.89 -0.00 0.00 2.01 0.00 0.00 34.83 32.85 2kma s MET 101 CO 0.06 -0.95 -0.24 0.08 -0.01 0.00 0.00 175.02 173.96 2kma s VAL 102 N 3.00 2.03 0.29 -6.03 1.01 -1.19 -4.81 120.40 114.69 2kma s VAL 102 Ca 0.27 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2kma s VAL 102 Cb -0.13 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.39 2kma s VAL 102 CO 0.19 0.55 1.51 -1.81 0.00 0.00 0.00 175.10 175.54 2kma s ASP 103 N 0.28 6.50 0.07 3.32 1.01 -1.26 -2.34 116.67 124.25 2kma s ASP 103 Ca -0.17 2.84 0.27 0.00 0.71 0.00 0.00 52.55 56.20 2kma s ASP 103 Cb -0.17 -2.64 0.82 0.00 1.01 0.00 0.00 42.92 41.94 2kma s ASP 103 CO 0.08 -0.81 1.67 -0.67 0.21 0.00 0.00 175.17 175.66 2kma n ASP 104 N 1.93 0.43 -0.02 0.27 2.03 0.13 -3.59 116.55 117.73 2kma n ASP 104 Ca 0.06 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kma n ASP 104 Cb 0.39 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 2kma n ASP 104 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kma n SER 105 N -1.80 0.05 -4.16 1.67 3.41 -1.26 -4.80 113.62 106.73 2kma n SER 105 Ca 0.06 -1.90 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 2kma n SER 105 Cb 0.38 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kma s LYS 106 N -1.95 1.07 0.91 4.33 0.00 -1.24 -5.12 119.74 117.75 2kma s LYS 106 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 55.97 54.34 2kma s LYS 106 Cb 0.00 0.27 0.19 0.00 0.00 0.00 0.00 37.83 38.29 2kma s LYS 106 CO 0.00 -0.33 1.25 0.95 0.00 0.00 0.00 175.35 177.22 2kma s THR 107 N -4.09 2.02 0.07 3.79 -4.23 -1.26 -4.84 115.64 107.10 2kma s THR 107 Ca 0.30 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 2kma s THR 107 Cb 0.07 -2.85 -0.24 0.00 1.34 0.00 0.00 72.50 70.82 2kma s THR 107 CO 0.06 0.00 1.18 0.58 -0.54 0.00 0.00 174.62 175.91 2kma h VAL 108 N -1.40 1.28 -0.44 2.29 2.07 -1.78 -2.13 116.25 116.14 2kma h VAL 108 Ca -0.42 -2.27 0.09 0.00 0.82 0.00 0.00 66.70 64.93 2kma h VAL 108 Cb 1.23 2.41 -0.08 0.00 -1.52 0.00 0.00 31.29 33.33 2kma h VAL 108 CO 0.36 0.70 -0.11 0.74 0.02 0.00 0.00 177.57 179.28 2kma h THR 109 N 0.39 0.56 -0.51 2.57 2.02 -1.94 0.48 112.91 116.48 2kma h THR 109 Ca -0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2kma h THR 109 Cb 1.72 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2kma h THR 109 CO 0.21 0.00 0.31 -0.78 0.37 0.00 0.00 175.52 175.63 2kma h ASP 110 N -0.00 0.61 -0.52 4.18 1.82 -1.90 -1.68 116.42 118.92 2kma h ASP 110 Ca 0.21 -0.05 0.10 0.00 -0.39 0.00 0.00 57.03 56.90 2kma h ASP 110 Cb 0.32 -0.15 -0.08 0.00 0.68 0.00 0.00 39.33 40.09 2kma h ASP 110 CO -0.45 0.48 0.03 -0.03 -1.61 0.00 0.00 179.24 177.66 2kma h MET 111 N 0.68 0.14 -0.64 0.28 4.05 -0.61 -1.12 114.93 117.71 2kma h MET 111 Ca 0.18 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 2kma h MET 111 Cb -0.02 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 2kma h MET 111 CO -0.03 0.09 0.23 1.25 0.23 0.00 0.00 176.91 178.68 2kma h LEU 112 N 0.15 0.91 -1.80 3.39 5.85 0.48 -0.02 115.31 124.26 2kma h LEU 112 Ca 0.27 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2kma h LEU 112 Cb 0.40 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2kma h LEU 112 CO -0.41 0.85 -0.14 -0.03 -0.34 0.00 0.00 178.44 178.36 2kma h MET 113 N 0.91 0.00 -0.11 1.25 1.85 -0.82 0.22 114.93 118.22 2kma h MET 113 Ca 0.21 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 59.10 2kma h MET 113 Cb 0.24 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.28 2kma h MET 113 CO -0.01 0.14 -0.70 1.15 -0.40 0.00 0.00 176.91 177.08 2kma h THR 114 N 0.00 1.31 0.00 -0.77 2.02 0.12 -3.11 112.91 112.48 2kma h THR 114 Ca -0.00 -1.96 -0.07 0.00 0.77 0.00 0.00 66.41 65.15 2kma h THR 114 Cb 0.39 2.13 0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2kma h THR 114 CO 0.02 0.61 -0.29 0.40 0.37 0.00 0.00 175.52 176.62 2kma h ILE 115 N 0.35 1.54 -0.52 3.11 2.04 -0.13 -3.10 117.51 120.79 2kma h ILE 115 Ca -0.06 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2kma h ILE 115 Cb 1.35 2.77 -0.03 0.00 -0.74 0.00 0.00 36.82 40.17 2kma h ILE 115 CO 0.14 0.54 0.33 0.00 0.00 0.00 0.00 178.15 179.17 2kma h ALA 117 N 1.66 1.04 -0.44 0.00 0.00 -1.59 0.29 119.26 120.23 2kma h ALA 117 Ca 0.19 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2kma h ALA 117 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kma h ALA 117 CO -0.04 0.28 -0.28 0.00 0.00 0.00 0.00 179.25 179.20 2kma h ARG 118 N 0.00 0.95 0.03 0.00 2.47 -1.06 -3.27 114.38 113.50 2kma h ARG 118 Ca -0.00 -0.44 -0.10 0.00 -1.26 0.00 0.00 59.98 58.18 2kma h ARG 118 Cb 0.71 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2kma h ARG 118 CO 0.03 1.10 -0.42 0.82 0.56 0.00 0.00 179.97 182.06 2kma h ILE 119 N 0.80 1.55 0.00 2.04 1.08 -1.26 -3.48 117.51 118.23 2kma h ILE 119 Ca 0.09 -2.16 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2kma h ILE 119 Cb 0.86 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.52 2kma h ILE 119 CO 0.08 0.60 0.00 0.61 -0.69 0.00 0.00 178.15 178.75 2kma n GLY 120 N 1.27 1.91 3.73 5.37 0.00 0.78 -5.12 105.19 113.13 2kma n GLY 120 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.91 4.92 -0.11 -0.61 1.01 0.20 -4.99 121.20 119.70 2kma s ILE 121 Ca 0.00 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.03 2kma s ILE 121 Cb 0.00 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.31 2kma s ILE 121 CO 0.00 0.31 0.31 0.74 0.00 0.00 0.00 174.94 176.30 2kma h THR 122 N 4.47 0.69 -3.37 2.92 2.02 -2.00 -3.38 112.91 114.25 2kma h THR 122 Ca -0.43 -1.50 -0.59 0.00 0.77 0.00 0.00 66.41 64.66 2kma h THR 122 Cb 1.20 1.30 -0.11 0.00 -1.74 0.00 0.00 68.15 68.80 2kma h THR 122 CO 0.73 0.23 -0.29 0.21 0.37 0.00 0.00 175.52 176.77 2kma s ASN 123 N -5.79 6.43 0.00 4.18 2.47 -1.26 -4.93 114.94 116.03 2kma s ASN 123 Ca -0.07 0.50 0.00 0.00 0.42 0.00 0.00 52.86 53.71 2kma s ASN 123 Cb -0.01 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 2kma s ASN 123 CO 0.27 0.04 0.04 0.00 -3.72 0.00 0.00 177.10 173.73 2kma n HIS 124 N 3.89 0.00 1.84 0.43 1.44 -1.26 -4.68 115.22 116.87 2kma n HIS 124 Ca -0.11 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.75 2kma n HIS 124 Cb 0.52 0.00 0.76 0.00 0.12 0.00 0.00 29.99 31.39 2kma n HIS 124 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2kma n ASP 125 N -0.69 0.45 -0.91 4.39 2.03 -1.26 -2.63 116.55 117.92 2kma n ASP 125 Ca 0.00 -1.21 0.12 0.00 0.52 0.00 0.00 54.79 54.21 2kma n ASP 125 Cb 0.01 -0.01 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 2kma n ASP 125 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kma n GLU 126 N -0.62 2.18 -4.41 -0.67 0.28 -1.26 -4.94 120.64 111.20 2kma n GLU 126 Ca 0.21 -1.85 -0.34 0.00 -0.16 0.00 0.00 57.16 55.01 2kma n GLU 126 Cb 0.17 -1.44 -0.10 0.00 1.43 0.00 0.00 31.44 31.50 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 -1.93 3.11 0.13 -1.84 2.02 -1.08 -0.68 117.35 117.07 2kma s TYR 127 Ca 0.27 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 57.13 2kma s TYR 127 Cb 0.19 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.96 2kma s TYR 127 CO 0.29 0.44 0.26 -1.54 -1.57 0.00 0.00 175.55 173.44 2kma s SER 128 N -0.98 6.32 -0.12 2.29 1.04 0.84 -4.78 113.70 118.30 2kma s SER 128 Ca 0.14 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.70 2kma s SER 128 Cb -0.11 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 2kma s SER 128 CO 0.03 0.08 0.07 -0.22 0.98 0.00 0.00 173.24 174.18 2kma s LEU 129 N -3.07 3.96 -0.14 2.42 1.98 -1.23 -1.42 118.68 121.18 2kma s LEU 129 Ca 0.35 0.26 -0.01 0.00 -2.89 0.00 0.00 54.13 51.83 2kma s LEU 129 Cb -0.11 -1.96 0.04 0.00 0.66 0.00 0.00 46.19 44.82 2kma s LEU 129 CO 0.28 0.34 -0.02 0.54 -1.89 0.00 0.00 176.35 175.60 2kma s VAL 130 N -0.61 0.75 -0.49 1.68 0.11 -0.41 0.16 120.40 121.59 2kma s VAL 130 Ca 0.11 -0.38 -0.14 0.00 -2.93 0.00 0.00 61.98 58.65 2kma s VAL 130 Cb -0.12 -0.99 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 2kma s VAL 130 CO 0.02 0.10 0.40 -0.13 -3.33 0.00 0.00 175.10 172.17 2kma s ARG 131 N 1.79 2.87 -0.70 1.54 0.52 0.19 0.19 118.95 125.35 2kma s ARG 131 Ca 0.02 -1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 53.43 2kma s ARG 131 Cb -0.15 -4.11 0.03 0.00 0.52 0.00 0.00 34.95 31.24 2kma s ARG 131 CO -0.07 -1.13 1.32 -1.21 0.02 0.00 0.00 175.30 174.22 2kma s GLU 132 N 1.56 3.20 0.17 3.54 2.02 -0.94 -3.42 118.70 124.83 2kma s GLU 132 Ca 0.04 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2kma s GLU 132 Cb -0.26 -4.17 0.03 0.00 0.10 0.00 0.00 34.13 29.83 2kma s GLU 132 CO 0.04 -2.12 0.23 1.28 0.02 0.00 0.00 175.26 174.72 2kma n LEU 133 N 9.50 0.00 -0.88 1.80 4.77 -1.23 -3.36 117.00 127.60 2kma n LEU 133 Ca 0.05 -0.53 0.08 0.00 -0.03 0.00 0.00 56.01 55.58 2kma n LEU 133 Cb 0.49 -0.15 0.21 0.00 -2.33 0.00 0.00 43.42 41.65 2kma n LEU 133 CO 0.71 -0.61 0.68 1.15 -1.33 0.00 0.00 177.39 177.99 2kma n MET 134 N -1.42 2.80 -1.63 3.23 0.00 -1.26 -4.88 117.12 113.95 2kma n MET 134 Ca 0.04 -2.25 -0.59 0.00 0.00 0.00 0.00 57.70 54.90 2kma n MET 134 Cb 0.14 -1.37 -0.08 0.00 0.00 0.00 0.00 33.22 31.92 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 0.91 0.57 0.09 3.17 -0.58 -1.26 -4.86 120.64 118.66 2kma n GLU 135 Ca 0.16 0.21 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 2kma n GLU 135 Cb 0.49 -1.79 0.27 0.00 -0.57 0.00 0.00 31.44 29.85 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 4.87 0.00 0.00 3.49 4.11 -1.98 -3.31 114.58 121.76 2kma h GLU 136 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kma h GLU 136 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2kma h GLU 136 CO 0.83 0.00 -0.23 1.63 0.07 0.00 0.00 179.01 181.31 2kma n LYS 137 N -2.21 0.12 0.00 1.06 5.02 -1.26 -4.90 118.16 115.99 2kma n LYS 137 Ca 0.04 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2kma n LYS 137 Cb 0.44 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 2kma n LYS 137 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kma n LYS 138 N -2.99 0.00 -2.64 1.97 5.02 -1.26 -5.03 118.16 113.22 2kma n LYS 138 Ca -0.03 0.42 -0.06 0.00 -2.02 0.00 0.00 58.31 56.62 2kma n LYS 138 Cb 0.12 -1.04 0.01 0.00 -0.02 0.00 0.00 35.03 34.10 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 -1.76 -7.13 -0.78 4.39 2.03 -1.25 -5.04 116.55 107.01 2kma n ASP 169 Ca 0.00 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2kma n ASP 169 Cb 0.00 -4.77 0.00 0.00 -0.72 0.00 0.00 41.12 35.63 2kma n ASP 169 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kma n GLU 170 N -0.17 0.00 0.21 -0.67 0.28 -1.26 -5.03 120.64 113.99 2kma n GLU 170 Ca 0.09 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.19 2kma n GLU 170 Cb 0.33 0.00 0.16 0.00 1.43 0.00 0.00 31.44 33.36 2kma n GLU 170 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2kma h LEU 171 N 0.00 0.00 -2.95 -1.84 3.38 -1.98 -3.27 115.31 108.65 2kma h LEU 171 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2kma h LEU 171 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kma h LEU 171 CO 0.00 0.09 -0.90 0.59 0.09 0.00 0.00 178.44 178.31 2kma n ASN 172 N -3.12 -6.71 -4.51 -0.43 3.02 -1.22 0.56 115.26 102.85 2kma n ASN 172 Ca 0.04 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.40 2kma n ASN 172 Cb 0.56 -3.39 -0.04 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.93 2.59 0.06 3.10 0.52 -1.26 -0.18 118.94 121.84 2kma s TRP 173 Ca 0.29 -0.16 -0.31 0.00 0.02 0.00 0.00 56.10 55.94 2kma s TRP 173 Cb -0.05 -4.35 -0.07 0.00 -1.15 0.00 0.00 33.47 27.85 2kma s TRP 173 CO 0.78 -1.68 1.50 -0.51 0.02 0.00 0.00 176.95 177.06 2kma s LEU 174 N 4.59 4.35 0.00 2.99 1.43 0.41 -4.86 118.68 127.59 2kma s LEU 174 Ca 0.30 2.32 0.26 0.00 -1.03 0.00 0.00 54.13 55.98 2kma s LEU 174 Cb -0.12 -3.57 1.23 0.00 0.03 0.00 0.00 46.19 43.76 2kma s LEU 174 CO 0.16 -0.78 1.85 -0.90 0.23 0.00 0.00 176.35 176.91 2kma n ASP 175 N 5.10 0.00 -0.33 2.29 5.75 -1.26 -3.52 116.55 124.58 2kma n ASP 175 Ca 0.14 0.10 -0.04 0.00 -0.01 0.00 0.00 54.79 54.98 2kma n ASP 175 Cb 0.42 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 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 -1.35 0.00 -0.02 2.11 8.25 -1.26 -4.84 115.22 118.11 2kma n HIS 176 Ca 0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 2kma n HIS 176 Cb 0.23 -1.36 -0.06 0.00 1.12 0.00 0.00 29.99 29.93 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 -1.40 -0.35 3.84 -1.41 0.00 -1.26 -3.77 105.19 100.83 2kma n GLY 177 Ca -0.04 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 2kma n GLY 177 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kma s ARG 178 N -2.39 2.30 0.65 1.61 1.70 -1.26 -4.99 118.95 116.56 2kma s ARG 178 Ca -0.03 -1.89 -0.12 0.00 -0.47 0.00 0.00 55.73 53.22 2kma s ARG 178 Cb 0.04 -2.08 -0.02 0.00 -0.57 0.00 0.00 34.95 32.31 2kma s ARG 178 CO 0.31 -0.36 1.04 -0.08 -1.08 0.00 0.00 175.30 175.13 2kma s THR 179 N -2.67 4.31 -0.40 4.99 -1.32 -1.26 -4.43 115.64 114.86 2kma s THR 179 Ca 0.37 0.80 0.23 0.00 -1.21 0.00 0.00 61.69 61.88 2kma s THR 179 Cb -0.00 -3.60 0.17 0.00 -1.51 0.00 0.00 72.50 67.55 2kma s THR 179 CO 0.22 -0.93 1.36 -0.07 -2.21 0.00 0.00 174.62 172.99 2kma h LEU 180 N -0.37 0.00 -1.01 9.08 3.38 -1.88 -3.33 115.31 121.18 2kma h LEU 180 Ca -0.44 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kma h LEU 180 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2kma h LEU 180 CO 0.59 0.01 0.00 -1.14 0.09 0.00 0.00 178.44 177.99 2kma n ARG 181 N -2.76 1.43 0.00 1.13 0.63 -1.26 -1.99 116.66 113.83 2kma n ARG 181 Ca 0.02 -0.41 0.00 0.00 -0.92 0.00 0.00 57.85 56.55 2kma n ARG 181 Cb 0.52 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.01 2kma n ARG 181 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2kma n GLU 182 N -0.02 -0.21 0.02 -0.14 0.28 -1.25 -4.46 120.64 114.86 2kma n GLU 182 Ca 0.04 -0.30 0.11 0.00 -0.16 0.00 0.00 57.16 56.84 2kma n GLU 182 Cb 0.28 -0.79 -0.12 0.00 1.43 0.00 0.00 31.44 32.23 2kma n GLU 182 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2kma n GLN 183 N -0.06 0.62 -0.95 3.44 6.02 -0.84 -4.96 117.38 120.65 2kma n GLN 183 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 2kma n GLN 183 Cb 0.08 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2kma n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kma n GLY 184 N 1.25 0.46 3.78 1.08 0.00 -1.25 -5.03 105.19 105.48 2kma n GLY 184 Ca -0.03 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 3.67 0.00 1.61 -7.23 -1.26 -4.99 120.40 110.21 2kma s VAL 185 Ca 0.00 1.30 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 2kma s VAL 185 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 2kma s VAL 185 CO 0.00 0.03 0.00 -0.62 -0.31 0.00 0.00 175.10 174.20 2kma n GLU 186 N -0.00 3.99 -0.20 4.82 -0.58 -1.26 -4.95 120.64 122.46 2kma n GLU 186 Ca 0.05 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 2kma n GLU 186 Cb 0.49 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.55 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 2.59 -0.00 3.49 1.02 -1.26 -4.55 120.64 121.92 2kma n GLU 187 Ca 0.00 -2.12 0.02 0.00 -0.02 0.00 0.00 57.16 55.03 2kma n GLU 187 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.87 0.00 -2.74 -0.32 1.44 -1.26 -4.71 115.22 108.49 2kma n HIS 188 Ca 0.15 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.51 2kma n HIS 188 Cb 0.47 -0.06 -0.06 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.97 4.23 -0.09 -1.40 8.01 -1.26 -5.00 118.70 121.21 2kma s GLU 189 Ca -0.01 1.25 -0.29 0.00 0.01 0.00 0.00 54.97 55.93 2kma s GLU 189 Cb 0.02 -2.34 -0.02 0.00 -4.31 0.00 0.00 34.13 27.49 2kma s GLU 189 CO 0.15 -0.04 0.98 0.99 0.01 0.00 0.00 175.26 177.35 2kma s THR 190 N -1.97 4.81 -0.09 3.63 2.01 -1.21 -4.39 115.64 118.42 2kma s THR 190 Ca 0.60 2.00 -0.00 0.00 0.31 0.00 0.00 61.69 64.60 2kma s THR 190 Cb -0.14 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2kma s THR 190 CO 0.18 0.03 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.31 2kma s LEU 191 N 1.85 3.11 -0.04 4.42 2.01 0.95 -2.22 118.68 128.76 2kma s LEU 191 Ca 0.48 -0.09 0.05 0.00 0.01 0.00 0.00 54.13 54.58 2kma s LEU 191 Cb -0.18 -1.69 -0.02 0.00 0.01 0.00 0.00 46.19 44.30 2kma s LEU 191 CO 0.19 0.30 -0.17 -0.76 1.01 0.00 0.00 176.35 176.92 2kma s LEU 192 N -0.44 2.57 -0.14 1.79 1.43 0.13 -1.35 118.68 122.67 2kma s LEU 192 Ca 0.06 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 2kma s LEU 192 Cb -0.12 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2kma s LEU 192 CO 0.02 0.34 0.64 -0.22 0.23 0.00 0.00 176.35 177.36 2kma s LEU 193 N -0.70 4.22 0.08 1.79 0.20 -0.61 -1.29 118.68 122.39 2kma s LEU 193 Ca 0.11 0.97 0.08 0.00 0.69 0.00 0.00 54.13 55.98 2kma s LEU 193 Cb -0.10 -2.94 -0.03 0.00 -0.43 0.00 0.00 46.19 42.68 2kma s LEU 193 CO 0.00 -0.19 -0.21 -0.13 -0.29 0.00 0.00 176.35 175.54 2kma s ARG 194 N 1.36 1.20 -0.21 1.98 1.81 -0.50 -4.57 118.95 120.01 2kma s ARG 194 Ca 0.32 -1.09 -0.24 0.00 -1.72 0.00 0.00 55.73 52.99 2kma s ARG 194 Cb -0.16 -1.42 -0.01 0.00 -0.45 0.00 0.00 34.95 32.91 2kma s ARG 194 CO 0.13 0.34 0.80 0.50 -0.68 0.00 0.00 175.30 176.38 2kma s ARG 195 N -1.68 4.23 -0.25 3.54 3.52 -1.26 -0.11 118.95 126.94 2kma s ARG 195 Ca 0.07 0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 56.47 2kma s ARG 195 Cb -0.10 -3.61 -0.16 0.00 -1.56 0.00 0.00 34.95 29.53 2kma s ARG 195 CO 0.03 -0.40 -0.16 1.17 -0.81 0.00 0.00 175.30 175.13 2kma n LYS 196 N 5.55 0.62 -3.41 5.12 4.81 0.14 -4.78 118.16 126.21 2kma n LYS 196 Ca 0.04 0.29 -0.35 0.00 -0.87 0.00 0.00 58.31 57.41 2kma n LYS 196 Cb 0.48 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.49 3.62 -0.51 5.64 0.08 -0.39 -5.02 117.98 118.91 2kma s PHE 197 Ca -0.35 1.01 0.06 0.00 0.12 0.00 0.00 56.93 57.77 2kma s PHE 197 Cb 0.11 -2.33 0.21 0.00 -0.57 0.00 0.00 43.02 40.44 2kma s PHE 197 CO 0.56 0.47 0.50 1.19 -0.10 0.00 0.00 175.22 177.84 2kma n PHE 198 N 0.93 0.93 1.35 0.36 3.72 -1.26 -4.90 117.46 118.59 2kma n PHE 198 Ca -0.07 -3.74 0.08 0.00 -0.05 0.00 0.00 57.45 53.67 2kma n PHE 198 Cb 0.52 -0.25 0.45 0.00 -0.94 0.00 0.00 39.48 39.26 2kma n PHE 198 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2kma n TYR 199 N 1.88 0.00 -2.89 1.38 0.18 -1.26 -4.89 117.16 111.55 2kma n TYR 199 Ca 0.25 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 60.02 2kma n TYR 199 Cb 0.46 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 2kma n TYR 199 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2kma n SER 200 N -0.85 -7.05 0.09 9.48 2.88 -1.26 -4.93 113.62 111.98 2kma n SER 200 Ca 0.11 -0.10 -0.05 0.00 -1.33 0.00 0.00 58.87 57.50 2kma n SER 200 Cb 0.05 -4.80 -0.00 0.00 -0.75 0.00 0.00 64.21 58.71 2kma n SER 200 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2kma h ASP 201 N 0.30 0.01 -0.01 -3.46 3.58 -1.99 -3.57 116.42 111.29 2kma h ASP 201 Ca -0.04 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kma h ASP 201 Cb 1.02 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2kma h ASP 201 CO 0.27 0.85 0.00 1.67 -2.88 0.00 0.00 179.24 179.16