#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 -5.89 -3.25 -0.61 5.41 -1.26 -4.94 119.36 108.82 2kma n ILE -4 Ca 0.00 -0.85 -0.38 0.00 1.00 0.00 0.00 62.75 62.53 2kma n ILE -4 Cb 0.00 -4.50 -0.06 0.00 -0.71 0.00 0.00 39.64 34.37 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 -3.84 7.04 -0.09 4.38 1.01 -1.26 -4.95 116.67 118.97 2kma s ASP -3 Ca 0.27 1.28 -0.00 0.00 0.71 0.00 0.00 52.55 54.81 2kma s ASP -3 Cb -0.08 -2.36 0.07 0.00 1.01 0.00 0.00 42.92 41.56 2kma s ASP -3 CO 0.82 0.21 1.87 -0.81 0.21 0.00 0.00 175.17 177.47 2kma n PRO -2 N 1.40 1.23 -3.32 8.23 -0.04 -1.26 -4.61 135.00 136.62 2kma n PRO -2 Ca -0.08 -0.46 -0.37 0.00 -0.04 0.00 0.00 63.50 62.55 2kma n PRO -2 Cb 0.51 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 2kma n PRO -2 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2kma n PHE -1 N 1.02 3.47 0.00 0.54 3.72 -1.26 -4.74 117.46 120.20 2kma n PHE -1 Ca 0.09 -3.55 0.00 0.00 -0.05 0.00 0.00 57.45 53.94 2kma n PHE -1 Cb 0.54 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 37.99 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2kma n THR 0 N 1.62 0.00 -1.30 4.37 -2.24 -1.26 -4.86 114.28 110.61 2kma n THR 0 Ca 0.26 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.09 2kma n THR 0 Cb 0.37 -0.14 0.19 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.72 -3.08 -0.78 1.56 -1.26 -4.67 117.12 110.61 2kma n MET 1 Ca 0.00 -2.97 -0.23 0.00 -0.27 0.00 0.00 57.70 54.23 2kma n MET 1 Cb 0.00 -1.65 -0.04 0.00 2.15 0.00 0.00 33.22 33.68 2kma n MET 1 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2kma n VAL 2 N -1.14 1.59 -3.92 1.12 0.24 -1.26 -5.05 118.33 109.91 2kma n VAL 2 Ca 0.21 -5.10 -0.11 0.00 -2.04 0.00 0.00 64.34 57.31 2kma n VAL 2 Cb 0.77 -1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 31.98 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -2.89 -0.00 -0.20 2.33 0.00 -1.26 -4.09 121.76 115.64 2kma s ALA 3 Ca 0.44 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.10 2kma s ALA 3 Cb 0.29 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 2kma s ALA 3 CO -0.11 -0.10 0.03 -0.51 0.00 0.00 0.00 175.76 175.07 2kma s LEU 4 N -0.77 3.43 -0.63 0.00 1.02 0.26 -4.79 118.68 117.20 2kma s LEU 4 Ca -0.09 -0.13 -0.21 0.00 0.02 0.00 0.00 54.13 53.73 2kma s LEU 4 Cb -0.05 -1.88 0.08 0.00 0.02 0.00 0.00 46.19 44.36 2kma s LEU 4 CO -0.00 0.08 0.87 -0.44 0.02 0.00 0.00 176.35 176.88 2kma s SER 5 N 0.90 6.18 -0.12 2.29 0.01 -1.26 -1.12 113.70 120.59 2kma s SER 5 Ca 0.02 -1.14 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 2kma s SER 5 Cb -0.14 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2kma s SER 5 CO 0.02 -1.32 -0.03 -0.76 0.41 0.00 0.00 173.24 171.56 2kma s LEU 6 N 3.56 3.34 -0.60 2.44 1.43 0.40 -2.01 118.68 127.25 2kma s LEU 6 Ca 0.18 -0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2kma s LEU 6 Cb -0.19 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.31 2kma s LEU 6 CO 0.09 0.27 0.89 -0.54 0.23 0.00 0.00 176.35 177.28 2kma s LYS 7 N -0.22 3.17 -0.52 1.70 1.02 -1.03 -1.95 119.74 121.92 2kma s LYS 7 Ca 0.04 -0.70 -0.24 0.00 0.02 0.00 0.00 55.97 55.09 2kma s LYS 7 Cb -0.13 -4.16 0.04 0.00 -0.52 0.00 0.00 37.83 33.06 2kma s LYS 7 CO 0.02 -1.61 0.88 0.42 -0.92 0.00 0.00 175.35 174.14 2kma s ILE 8 N 3.72 4.49 -0.26 2.17 1.09 0.19 0.70 121.20 133.30 2kma s ILE 8 Ca 0.23 0.29 -0.17 0.00 -1.10 0.00 0.00 60.65 59.89 2kma s ILE 8 Cb -0.16 -4.47 -0.03 0.00 -1.06 0.00 0.00 42.46 36.74 2kma s ILE 8 CO 0.13 -0.98 0.48 -0.94 -0.10 0.00 0.00 174.94 173.52 2kma s SER 9 N 2.63 6.40 -0.57 3.58 1.04 -0.90 0.47 113.70 126.34 2kma s SER 9 Ca 0.30 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.18 2kma s SER 9 Cb -0.13 -2.26 0.15 0.00 0.10 0.00 0.00 66.02 63.88 2kma s SER 9 CO 0.20 -0.25 0.37 -0.63 0.98 0.00 0.00 173.24 173.91 2kma s ILE 10 N 2.18 3.44 0.00 -1.02 1.01 0.25 -1.81 121.20 125.25 2kma s ILE 10 Ca 0.20 -2.87 0.00 0.00 0.00 0.00 0.00 60.65 57.97 2kma s ILE 10 Cb -0.16 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.03 2kma s ILE 10 CO 0.09 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.81 2kma n GLY 11 N 3.60 1.60 0.00 6.18 0.00 -1.26 -2.36 105.19 112.95 2kma n GLY 11 Ca 0.06 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 5.50 2.19 -4.87 1.61 6.94 -1.26 -5.04 115.26 120.33 2kma n ASN 12 Ca 0.00 -0.29 -0.32 0.00 -0.02 0.00 0.00 54.58 53.95 2kma n ASN 12 Cb 0.00 1.03 -0.06 0.00 -2.36 0.00 0.00 39.78 38.40 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kma s VAL 13 N -1.59 4.85 -0.23 3.53 0.11 -1.00 -5.07 120.40 121.02 2kma s VAL 13 Ca 0.00 0.62 0.02 0.00 -2.93 0.00 0.00 61.98 59.69 2kma s VAL 13 Cb 0.01 -3.61 0.05 0.00 -1.53 0.00 0.00 36.38 31.29 2kma s VAL 13 CO 0.06 -0.11 -0.13 0.54 -3.33 0.00 0.00 175.10 172.13 2kma s VAL 14 N -1.87 2.04 -0.17 2.04 0.11 -1.26 -0.58 120.40 120.71 2kma s VAL 14 Ca 0.49 -1.33 -0.06 0.00 -2.93 0.00 0.00 61.98 58.16 2kma s VAL 14 Cb -0.11 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 2kma s VAL 14 CO 0.20 0.17 0.03 -0.54 -3.33 0.00 0.00 175.10 171.62 2kma s LYS 15 N 1.21 3.86 -0.37 1.54 -0.14 0.18 -4.93 119.74 121.09 2kma s LYS 15 Ca -0.04 -0.41 -0.13 0.00 -1.36 0.00 0.00 55.97 54.04 2kma s LYS 15 Cb -0.17 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2kma s LYS 15 CO -0.08 0.27 0.24 0.99 -0.76 0.00 0.00 175.35 176.01 2kma s THR 16 N 0.34 5.07 0.07 2.17 2.01 -1.26 0.55 115.64 124.59 2kma s THR 16 Ca 0.00 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2kma s THR 16 Cb -0.13 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kma s THR 16 CO 0.01 -0.14 -0.12 -0.04 -0.69 0.00 0.00 174.62 173.64 2kma s MET 17 N 1.67 0.76 -0.07 4.92 -1.94 -0.82 -5.00 119.30 118.82 2kma s MET 17 Ca 0.05 -0.95 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 2kma s MET 17 Cb -0.18 -0.65 -0.03 0.00 2.01 0.00 0.00 34.83 35.98 2kma s MET 17 CO 0.09 0.13 -0.07 -0.65 -0.01 0.00 0.00 175.02 174.52 2kma s GLN 18 N -1.90 2.76 0.18 2.03 -0.21 -1.25 -0.45 119.66 120.81 2kma s GLN 18 Ca -0.02 -0.55 0.07 0.00 0.02 0.00 0.00 55.36 54.88 2kma s GLN 18 Cb -0.09 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2kma s GLN 18 CO 0.01 0.66 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.65 2kma s PHE 19 N -0.79 1.58 0.45 0.91 0.40 -0.27 -4.86 117.98 115.40 2kma s PHE 19 Ca 0.12 -0.61 -0.23 0.00 -0.60 0.00 0.00 56.93 55.61 2kma s PHE 19 Cb -0.11 -0.76 -0.08 0.00 0.51 0.00 0.00 43.02 42.59 2kma s PHE 19 CO 0.01 0.27 1.14 -1.21 0.70 0.00 0.00 175.22 176.13 2kma s GLU 20 N -3.53 3.81 0.35 0.44 2.02 -1.26 0.93 118.70 121.45 2kma s GLU 20 Ca 0.19 1.71 0.15 0.00 0.02 0.00 0.00 54.97 57.04 2kma s GLU 20 Cb -0.01 -2.40 1.11 0.00 0.10 0.00 0.00 34.13 32.93 2kma s GLU 20 CO 0.05 -0.49 1.66 -1.35 0.02 0.00 0.00 175.26 175.15 2kma h PRO 21 N 2.07 0.31 0.00 0.39 0.11 -1.91 -2.83 132.00 130.12 2kma h PRO 21 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kma h PRO 21 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2kma h PRO 21 CO 0.60 0.20 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 2kma n SER 22 N -5.03 0.00 0.00 -2.05 3.41 -1.26 -1.39 113.62 107.29 2kma n SER 22 Ca 0.32 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2kma n SER 22 Cb 1.00 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2kma n SER 22 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2kma n THR 23 N -1.11 0.00 0.00 6.66 -1.04 -1.07 -2.14 114.28 115.58 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 -0.32 -2.82 1.56 -1.26 -4.22 117.12 110.05 2kma n MET 24 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.54 2kma n MET 24 Cb 0.00 0.00 0.23 0.00 2.15 0.00 0.00 33.22 35.60 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 0.09 -0.35 1.12 2.07 -1.77 0.23 116.25 117.65 2kma h VAL 25 Ca 0.00 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2kma h VAL 25 Cb 0.00 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 2kma h VAL 25 CO 0.00 0.01 -0.05 0.10 0.02 0.00 0.00 177.57 177.65 2kma h TYR 26 N 0.03 0.61 0.06 1.57 -0.00 -1.87 0.19 116.97 117.56 2kma h TYR 26 Ca 0.53 -0.08 -0.26 0.00 0.00 0.00 0.00 58.73 58.92 2kma h TYR 26 Cb 1.01 -0.17 0.01 0.00 0.00 0.00 0.00 36.73 37.59 2kma h TYR 26 CO -0.53 0.62 -1.11 0.22 -0.00 0.00 0.00 178.16 177.36 2kma h ASP 27 N 0.54 0.67 0.04 0.10 3.58 -0.86 -3.08 116.42 117.41 2kma h ASP 27 Ca 0.11 -0.60 -0.00 0.00 0.42 0.00 0.00 57.03 56.96 2kma h ASP 27 Cb 0.42 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2kma h ASP 27 CO 0.02 1.41 -0.02 0.00 -2.88 0.00 0.00 179.24 177.77 2kma h ALA 28 N 0.53 -0.05 -0.56 -0.78 0.00 -0.32 -2.96 119.26 115.11 2kma h ALA 28 Ca -0.13 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.84 2kma h ALA 28 Cb 1.77 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2kma h ALA 28 CO 0.20 -0.50 0.38 0.00 0.00 0.00 0.00 179.25 179.33 2kma h ARG 30 N 0.34 0.72 0.03 0.00 0.11 -1.43 -3.12 114.38 111.03 2kma h ARG 30 Ca 0.26 -0.68 -0.17 0.00 0.10 0.00 0.00 59.98 59.49 2kma h ARG 30 Cb 0.56 0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.83 2kma h ARG 30 CO -0.06 1.28 -0.66 0.52 0.10 0.00 0.00 179.97 181.14 2kma h MET 31 N 0.45 0.40 -0.55 0.08 2.86 -1.25 -3.13 114.93 113.78 2kma h MET 31 Ca -0.09 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.11 2kma h MET 31 Cb 1.55 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 33.31 2kma h MET 31 CO 0.18 1.14 0.33 0.97 1.06 0.00 0.00 176.91 180.59 2kma h ILE 32 N -0.14 1.04 0.00 -1.22 2.10 -1.22 0.10 117.51 118.17 2kma h ILE 32 Ca -0.09 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.62 2kma h ILE 32 Cb 1.40 0.34 -0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2kma h ILE 32 CO 0.13 0.12 -0.04 0.03 -1.08 0.00 0.00 178.15 177.30 2kma h ARG 33 N 0.64 0.00 -0.09 2.19 3.08 -1.65 0.42 114.38 118.98 2kma h ARG 33 Ca 0.23 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.10 2kma h ARG 33 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 2kma h ARG 33 CO -0.11 0.04 -0.65 0.93 -1.07 0.00 0.00 179.97 179.11 2kma h GLU 34 N 0.00 0.60 0.00 0.04 4.39 -0.80 -3.36 114.58 115.45 2kma h GLU 34 Ca -0.00 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 2kma h GLU 34 Cb 0.08 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2kma h GLU 34 CO 0.01 1.15 -0.19 0.00 -1.16 0.00 0.00 179.01 178.82 2kma h ARG 35 N 0.23 0.00 -4.58 2.33 2.47 -0.84 -3.45 114.38 110.54 2kma h ARG 35 Ca -0.06 0.00 -0.71 0.00 -1.26 0.00 0.00 59.98 57.96 2kma h ARG 35 Cb 1.31 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.39 2kma h ARG 35 CO 0.13 0.78 -0.50 0.42 0.56 0.00 0.00 179.97 181.36 2kma s ILE 36 N -2.12 4.70 0.10 2.04 1.01 0.15 -4.95 121.20 122.13 2kma s ILE 36 Ca -0.17 -0.80 0.33 0.00 0.00 0.00 0.00 60.65 60.01 2kma s ILE 36 Cb -0.01 -3.61 0.38 0.00 0.01 0.00 0.00 42.46 39.23 2kma s ILE 36 CO 0.53 -0.23 1.97 1.55 0.00 0.00 0.00 174.94 178.75 2kma h PRO 37 N 8.47 0.00 -0.06 2.79 0.13 -1.82 -2.94 132.00 138.58 2kma h PRO 37 Ca -0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2kma h PRO 37 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.68 0.02 -0.29 0.93 -0.23 0.00 0.00 178.00 179.11 2kma h GLU 38 N 0.00 0.10 -0.79 0.86 3.07 -1.92 -2.99 114.58 112.90 2kma h GLU 38 Ca -0.00 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2kma h GLU 38 Cb 0.54 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 2kma h GLU 38 CO 0.00 0.38 0.39 0.00 -1.40 0.00 0.00 179.01 178.39 2kma h ALA 39 N 1.62 1.19 -0.94 3.43 0.00 -1.84 -2.81 119.26 119.92 2kma h ALA 39 Ca 0.01 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 54.26 2kma h ALA 39 Cb 0.56 -0.32 -0.29 0.00 0.00 0.00 0.00 17.79 17.74 2kma h ALA 39 CO 0.04 0.62 0.66 1.47 0.00 0.00 0.00 179.25 182.04 2kma n LEU 40 N -4.32 6.72 0.29 0.00 -0.00 -1.13 -4.57 117.00 113.99 2kma n LEU 40 Ca 0.08 -3.61 0.18 0.00 -0.00 0.00 0.00 56.01 52.65 2kma n LEU 40 Cb 0.13 -0.85 0.90 0.00 -0.00 0.00 0.00 43.42 43.60 2kma n LEU 40 CO 0.39 1.10 1.15 0.00 -0.00 0.00 0.00 177.39 180.03 2kma h ALA 41 N 1.24 1.42 -3.00 1.47 0.00 -1.57 -3.42 119.26 115.39 2kma h ALA 41 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2kma h ALA 41 Cb 2.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2kma h ALA 41 CO 1.13 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.50 2kma n GLY 42 N -1.25 5.69 3.65 0.00 0.00 -1.26 -5.09 105.19 106.94 2kma n GLY 42 Ca -0.01 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2kma n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kma s PRO 43 N 1.74 4.14 0.54 1.61 0.02 -1.26 -4.90 135.00 136.90 2kma s PRO 43 Ca 0.00 1.82 0.25 0.00 0.02 0.00 0.00 61.00 63.09 2kma s PRO 43 Cb 0.00 -3.88 1.42 0.00 0.02 0.00 0.00 34.50 32.06 2kma s PRO 43 CO 0.00 -0.85 2.02 -1.00 -0.33 0.00 0.00 177.00 176.84 2kma h PRO 44 N 9.03 0.00 0.00 5.54 0.13 -1.95 0.20 132.00 144.96 2kma h PRO 44 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2kma h PRO 44 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2kma h PRO 44 CO 0.97 0.00 -0.26 -0.91 -0.23 0.00 0.00 178.00 177.57 2kma h ASN 45 N 0.00 0.00 -0.63 1.44 2.35 -2.01 -2.82 115.58 113.91 2kma h ASN 45 Ca 0.20 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.86 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.11 2kma h ASN 45 CO -0.00 0.26 0.21 0.47 -1.65 0.00 0.00 177.43 176.71 2kma n ASP 46 N -3.59 4.27 -4.24 5.81 8.00 0.70 -4.90 116.55 122.60 2kma n ASP 46 Ca -0.01 -3.31 -0.30 0.00 0.71 0.00 0.00 54.79 51.88 2kma n ASP 46 Cb 0.39 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.03 2.28 0.22 1.24 0.08 -1.07 0.79 117.98 118.49 2kma s PHE 47 Ca 0.52 -0.68 0.05 0.00 0.12 0.00 0.00 56.93 56.93 2kma s PHE 47 Cb 0.42 -1.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.36 2kma s PHE 47 CO 0.11 -0.21 0.17 0.41 -0.10 0.00 0.00 175.22 175.59 2kma n GLY 48 N 3.01 3.34 3.47 4.36 0.00 -0.89 -4.80 105.19 113.68 2kma n GLY 48 Ca -0.18 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2kma n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kma s LEU 49 N 0.00 5.00 -0.22 0.99 1.43 -1.26 -2.77 118.68 121.85 2kma s LEU 49 Ca 0.24 -0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 2kma s LEU 49 Cb 0.01 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2kma s LEU 49 CO 0.17 -0.41 0.23 0.12 0.23 0.00 0.00 176.35 176.69 2kma s PHE 50 N 1.69 3.34 -0.38 0.29 5.36 0.52 0.07 117.98 128.87 2kma s PHE 50 Ca 0.05 0.36 -0.19 0.00 -0.96 0.00 0.00 56.93 56.19 2kma s PHE 50 Cb -0.19 -2.34 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 2kma s PHE 50 CO 0.10 0.07 0.54 -1.17 -1.46 0.00 0.00 175.22 173.29 2kma s LEU 51 N 1.06 4.45 -0.61 6.12 1.98 0.19 0.58 118.68 132.46 2kma s LEU 51 Ca 0.11 -0.18 -0.21 0.00 -2.89 0.00 0.00 54.13 50.96 2kma s LEU 51 Cb -0.14 -2.60 0.07 0.00 0.66 0.00 0.00 46.19 44.19 2kma s LEU 51 CO 0.05 -0.57 0.86 -0.44 -1.89 0.00 0.00 176.35 174.36 2kma s SER 52 N 1.82 6.20 -0.14 3.68 0.01 -1.13 -2.40 113.70 121.74 2kma s SER 52 Ca 0.19 -1.00 -0.16 0.00 1.31 0.00 0.00 55.95 56.29 2kma s SER 52 Cb -0.15 -2.38 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 2kma s SER 52 CO 0.15 -1.27 0.31 -0.78 0.41 0.00 0.00 173.24 172.05 2kma h ASP 53 N 9.38 0.00 0.00 2.44 1.82 -1.84 -3.40 116.42 124.81 2kma h ASP 53 Ca -0.28 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 55.89 2kma h ASP 53 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2kma h ASP 53 CO 1.12 0.90 0.00 -0.67 -1.61 0.00 0.00 179.24 178.98 2kma n ASP 54 N -4.63 -0.06 -4.56 2.28 2.03 -1.26 -5.04 116.55 105.30 2kma n ASP 54 Ca -0.10 0.28 -0.31 0.00 0.52 0.00 0.00 54.79 55.18 2kma n ASP 54 Cb 0.34 0.32 -0.10 0.00 -0.72 0.00 0.00 41.12 40.96 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 4.38 0.55 1.67 2.15 -1.26 -5.00 116.67 117.15 2kma s ASP 55 Ca 0.00 -0.32 0.38 0.00 0.43 0.00 0.00 52.55 53.04 2kma s ASP 55 Cb 0.00 -0.88 1.55 0.00 -0.30 0.00 0.00 42.92 43.30 2kma s ASP 55 CO 0.00 0.22 1.76 1.55 -0.17 0.00 0.00 175.17 178.53 2kma h PRO 56 N 4.03 0.00 0.01 4.34 0.13 -1.97 0.11 132.00 138.65 2kma h PRO 56 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 2kma h PRO 56 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2kma h PRO 56 CO 0.52 0.00 -1.64 0.87 -0.23 0.00 0.00 178.00 177.52 2kma h LYS 57 N 0.00 0.02 -0.12 0.86 1.79 -1.95 -3.32 116.57 113.85 2kma h LYS 57 Ca 0.59 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.93 2kma h LYS 57 Cb 2.44 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 33.09 2kma h LYS 57 CO -0.01 0.59 -0.39 0.87 -1.08 0.00 0.00 179.45 179.43 2kma h LYS 58 N 0.00 0.26 -6.98 3.15 1.57 -1.23 -3.43 116.57 109.90 2kma h LYS 58 Ca -0.26 -0.12 -0.53 0.00 -1.87 0.00 0.00 60.65 57.87 2kma h LYS 58 Cb 1.99 -0.00 0.10 0.00 0.08 0.00 0.00 32.23 34.40 2kma h LYS 58 CO 0.09 0.61 0.63 0.20 -0.57 0.00 0.00 179.45 180.41 2kma s GLY 59 N -4.20 2.90 0.06 3.86 0.00 -0.28 -4.64 107.32 105.02 2kma s GLY 59 Ca -0.05 1.30 -0.04 0.00 0.00 0.00 0.00 44.72 45.93 2kma s GLY 59 CO 0.77 1.87 0.05 -0.26 0.00 0.00 0.00 173.10 175.53 2kma s ILE 60 N -1.28 0.18 -0.23 0.90 -4.36 -1.01 -4.97 121.20 110.44 2kma s ILE 60 Ca 0.62 -1.50 -0.16 0.00 -0.26 0.00 0.00 60.65 59.35 2kma s ILE 60 Cb -0.39 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 2kma s ILE 60 CO 0.50 -0.83 0.41 0.26 0.24 0.00 0.00 174.94 175.51 2kma s TRP 61 N -3.65 3.32 -0.31 1.37 0.52 -1.26 -0.63 118.94 118.28 2kma s TRP 61 Ca 0.04 0.55 -0.28 0.00 0.02 0.00 0.00 56.10 56.43 2kma s TRP 61 Cb 0.05 -2.57 0.01 0.00 -1.15 0.00 0.00 33.47 29.82 2kma s TRP 61 CO -0.09 -0.12 1.03 -0.51 0.02 0.00 0.00 176.95 177.28 2kma s LEU 62 N 1.69 3.97 0.59 2.99 1.43 0.11 -4.99 118.68 124.47 2kma s LEU 62 Ca 0.18 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 2kma s LEU 62 Cb -0.15 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2kma s LEU 62 CO 0.09 -0.83 1.00 -1.83 0.23 0.00 0.00 176.35 175.01 2kma s GLU 63 N 3.52 3.66 0.00 1.70 -1.05 -1.26 -4.33 118.70 120.93 2kma s GLU 63 Ca 0.43 0.74 0.24 0.00 -0.15 0.00 0.00 54.97 56.23 2kma s GLU 63 Cb -0.13 -2.12 1.43 0.00 -0.44 0.00 0.00 34.13 32.88 2kma s GLU 63 CO 0.14 -0.49 1.80 0.00 0.95 0.00 0.00 175.26 177.67 2kma n ALA 64 N -2.50 2.42 -0.14 -0.84 0.00 -1.26 -3.15 120.51 115.03 2kma n ALA 64 Ca 0.06 -0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2kma n ALA 64 Cb 0.54 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.89 2kma n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 65 N 0.54 2.14 3.33 0.00 0.00 -1.26 -4.68 105.19 105.26 2kma n GLY 65 Ca 0.18 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.67 1.09 0.75 1.61 0.00 -1.19 -5.13 119.74 115.20 2kma s LYS 66 Ca 0.41 -0.98 -0.04 0.00 0.00 0.00 0.00 55.97 55.36 2kma s LYS 66 Cb 0.26 0.41 0.13 0.00 0.00 0.00 0.00 37.83 38.62 2kma s LYS 66 CO 0.22 -0.41 1.04 0.00 0.00 0.00 0.00 175.35 176.20 2kma s ALA 67 N -3.90 3.40 -0.10 0.59 0.00 -1.26 -3.71 121.76 116.78 2kma s ALA 67 Ca 0.10 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 2kma s ALA 67 Cb 0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 2kma s ALA 67 CO -0.05 -1.59 0.33 -0.07 0.00 0.00 0.00 175.76 174.37 2kma h LEU 68 N -0.71 -0.05 -1.72 0.00 3.38 -1.49 -3.34 115.31 111.39 2kma h LEU 68 Ca -0.39 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2kma h LEU 68 Cb 1.27 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2kma h LEU 68 CO 0.42 0.59 0.00 -0.78 0.09 0.00 0.00 178.44 178.76 2kma h ASP 69 N -1.00 0.00 -0.91 -0.43 3.58 -1.31 -1.70 116.42 114.65 2kma h ASP 69 Ca -0.01 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.57 2kma h ASP 69 Cb 0.34 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 2kma h ASP 69 CO 0.01 0.00 0.58 0.22 -2.88 0.00 0.00 179.24 177.17 2kma h TYR 70 N 0.00 0.92 -0.29 0.28 3.20 -1.78 -3.42 116.97 115.88 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 0.30 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2kma h TYR 70 CO 0.00 0.38 0.00 0.66 -1.64 0.00 0.00 178.16 177.56 2kma n TYR 71 N -4.56 0.00 1.52 -3.82 4.01 -0.64 -4.96 117.16 108.71 2kma n TYR 71 Ca 0.17 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.05 2kma n TYR 71 Cb 0.39 0.00 0.55 0.00 -0.31 0.00 0.00 39.34 39.98 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 1.50 -3.85 -0.72 2.81 -1.26 -4.90 117.12 110.70 2kma n MET 72 Ca 0.00 -0.81 -0.35 0.00 -1.81 0.00 0.00 57.70 54.73 2kma n MET 72 Cb 0.00 -1.48 -0.08 0.00 -0.71 0.00 0.00 33.22 30.95 2kma n MET 72 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 2kma s LEU 73 N -2.06 4.11 0.00 4.03 2.34 -1.26 -4.95 118.68 120.90 2kma s LEU 73 Ca 0.38 0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.79 2kma s LEU 73 Cb 0.21 -2.04 0.00 0.00 -0.56 0.00 0.00 46.19 43.80 2kma s LEU 73 CO 0.36 0.22 0.00 0.54 -1.06 0.00 0.00 176.35 176.41 2kma n ARG 74 N 3.22 0.00 -1.93 1.48 3.00 -1.26 -3.70 116.66 117.47 2kma n ARG 74 Ca -0.17 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.29 2kma n ARG 74 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.96 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2kma s ASN 75 N 1.51 5.17 0.00 0.55 0.01 -1.26 -3.02 114.94 117.89 2kma s ASN 75 Ca 0.00 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 2kma s ASN 75 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 2kma s ASN 75 CO 0.00 -2.40 0.00 0.61 -1.51 0.00 0.00 177.10 173.80 2kma n GLY 76 N 5.73 3.32 3.78 0.66 0.00 -0.85 -4.90 105.19 112.93 2kma n GLY 76 Ca 0.24 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.05 5.91 -0.12 1.61 1.11 -1.17 -4.76 116.67 119.20 2kma s ASP 77 Ca 0.00 2.18 -0.15 0.00 0.18 0.00 0.00 52.55 54.76 2kma s ASP 77 Cb 0.00 -2.58 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 2kma s ASP 77 CO 0.00 -1.09 0.37 -0.89 1.18 0.00 0.00 175.17 174.74 2kma s THR 78 N -1.73 5.23 -0.20 -1.27 2.01 -1.26 -2.46 115.64 115.95 2kma s THR 78 Ca 0.70 0.73 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2kma s THR 78 Cb -0.24 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.61 2kma s THR 78 CO 0.28 0.40 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.24 2kma s MET 79 N 0.24 1.54 -0.07 4.92 1.75 0.22 -2.84 119.30 125.06 2kma s MET 79 Ca 0.21 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 53.59 2kma s MET 79 Cb -0.14 -2.33 -0.02 0.00 2.84 0.00 0.00 34.83 35.18 2kma s MET 79 CO 0.08 -0.52 1.03 -2.00 -0.65 0.00 0.00 175.02 172.95 2kma s GLU 80 N 1.51 4.44 -0.56 4.11 2.12 0.20 -2.13 118.70 128.40 2kma s GLU 80 Ca -0.03 1.44 -0.19 0.00 0.36 0.00 0.00 54.97 56.55 2kma s GLU 80 Cb -0.17 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 30.78 2kma s GLU 80 CO -0.07 -0.27 0.67 -0.47 -0.54 0.00 0.00 175.26 174.58 2kma s TYR 81 N 1.80 3.02 0.13 5.30 5.04 -0.75 -0.36 117.35 131.52 2kma s TYR 81 Ca 0.50 -0.78 0.06 0.00 -2.44 0.00 0.00 57.07 54.40 2kma s TYR 81 Cb -0.20 -3.81 -0.04 0.00 0.35 0.00 0.00 41.96 38.26 2kma s TYR 81 CO 0.21 -1.19 -0.13 -0.98 -1.34 0.00 0.00 175.55 172.12 2kma s ARG 82 N 2.66 1.03 0.21 4.97 1.70 -1.11 -4.57 118.95 123.84 2kma s ARG 82 Ca 0.13 -1.27 -0.31 0.00 -0.47 0.00 0.00 55.73 53.81 2kma s ARG 82 Cb -0.22 -0.85 -0.11 0.00 -0.57 0.00 0.00 34.95 33.20 2kma s ARG 82 CO 0.09 0.16 1.61 0.21 -1.08 0.00 0.00 175.30 176.28 2kma s LYS 83 N -2.84 4.17 0.40 3.89 2.20 -1.26 -2.09 119.74 124.21 2kma s LYS 83 Ca 0.10 2.48 0.17 0.00 -0.36 0.00 0.00 55.97 58.36 2kma s LYS 83 Cb -0.04 -3.10 1.06 0.00 -1.51 0.00 0.00 37.83 34.25 2kma s LYS 83 CO 0.03 -0.64 1.82 0.87 -0.36 0.00 0.00 175.35 177.07 2kma h LYS 84 N 6.19 0.42 -6.06 4.03 1.79 0.07 -3.40 116.57 119.61 2kma h LYS 84 Ca -0.44 -0.03 -0.58 0.00 -2.18 0.00 0.00 60.65 57.43 2kma h LYS 84 Cb 1.21 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.72 2kma h LYS 84 CO 0.89 0.28 -0.51 1.14 -1.08 0.00 0.00 179.45 180.16 2kma s GLN 85 N -5.48 3.26 0.08 3.15 -2.07 -1.26 0.32 119.66 117.66 2kma s GLN 85 Ca -0.09 -0.63 0.04 0.00 -1.82 0.00 0.00 55.36 52.86 2kma s GLN 85 Cb 0.24 -2.89 -0.03 0.00 -1.09 0.00 0.00 33.01 29.24 2kma s GLN 85 CO 0.79 0.54 -0.11 -0.98 -1.32 0.00 0.00 175.29 174.22 2kma s ARG 86 N -2.93 0.77 -0.43 9.60 1.04 -0.88 -4.79 118.95 121.33 2kma s ARG 86 Ca 0.33 -1.02 -0.27 0.00 -1.04 0.00 0.00 55.73 53.73 2kma s ARG 86 Cb -0.11 -0.55 -0.04 0.00 -2.04 0.00 0.00 34.95 32.21 2kma s ARG 86 CO 0.27 0.10 2.05 -2.14 -0.04 0.00 0.00 175.30 175.53 2kma s PRO 87 N -2.27 2.78 -0.19 3.89 0.02 -1.26 -3.08 135.00 134.89 2kma s PRO 87 Ca 0.00 1.29 -0.08 0.00 0.02 0.00 0.00 61.00 62.23 2kma s PRO 87 Cb -0.06 -4.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.03 2kma s PRO 87 CO 0.01 -2.52 0.08 -0.51 -0.33 0.00 0.00 177.00 173.73 2kma s LEU 88 N 9.15 3.94 -0.40 -5.54 1.43 -0.51 -4.59 118.68 122.15 2kma s LEU 88 Ca 0.84 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.86 2kma s LEU 88 Cb -0.20 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2kma s LEU 88 CO 0.28 0.18 0.69 -0.54 0.23 0.00 0.00 176.35 177.19 2kma s LYS 89 N 0.34 3.51 -0.08 1.70 3.01 -1.25 -1.68 119.74 125.27 2kma s LYS 89 Ca 0.05 -0.08 0.05 0.00 -1.01 0.00 0.00 55.97 54.98 2kma s LYS 89 Cb -0.12 -3.88 -0.01 0.00 -1.01 0.00 0.00 37.83 32.81 2kma s LYS 89 CO -0.01 -0.92 -0.24 0.42 0.51 0.00 0.00 175.35 175.11 2kma s ILE 90 N 2.93 2.11 -0.22 2.17 -1.09 0.40 0.37 121.20 127.87 2kma s ILE 90 Ca 0.26 -1.03 -0.06 0.00 -2.23 0.00 0.00 60.65 57.60 2kma s ILE 90 Cb -0.14 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.94 2kma s ILE 90 CO 0.18 0.56 0.02 -0.60 -1.23 0.00 0.00 174.94 173.88 2kma s ARG 91 N 0.07 3.59 0.79 2.79 3.52 -0.33 -0.34 118.95 129.03 2kma s ARG 91 Ca -0.10 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 54.88 2kma s ARG 91 Cb -0.16 -3.17 0.10 0.00 -1.56 0.00 0.00 34.95 30.16 2kma s ARG 91 CO 0.06 -0.11 1.13 -1.64 -0.81 0.00 0.00 175.30 173.93 2kma s MET 92 N 1.35 1.79 0.23 5.12 -1.94 0.23 -1.23 119.30 124.85 2kma s MET 92 Ca 0.05 -0.21 -0.06 0.00 -1.71 0.00 0.00 55.69 53.76 2kma s MET 92 Cb -0.15 -2.04 0.37 0.00 2.01 0.00 0.00 34.83 35.02 2kma s MET 92 CO 0.01 -1.60 1.79 -0.07 -0.01 0.00 0.00 175.02 175.15 2kma h LEU 93 N -0.95 0.56 0.00 -0.03 -0.00 -1.87 0.24 115.31 113.27 2kma h LEU 93 Ca -0.44 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2kma h LEU 93 Cb 1.30 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2kma h LEU 93 CO 0.57 0.32 0.00 -0.90 -0.00 0.00 0.00 178.44 178.43 2kma n ASP 94 N -4.80 0.00 0.00 -0.43 5.75 -1.26 -4.83 116.55 110.98 2kma n ASP 94 Ca 0.12 0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 2kma n ASP 94 Cb 0.28 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kma n GLY 95 N 0.60 1.00 3.72 6.12 0.00 0.85 -5.08 105.19 112.40 2kma n GLY 95 Ca 0.10 -0.15 -0.35 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 5.05 -0.10 2.61 2.01 -1.22 -4.83 115.64 117.15 2kma s THR 96 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2kma s THR 96 Cb 0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 2kma s THR 96 CO 0.00 0.51 -0.10 0.54 -0.69 0.00 0.00 174.62 174.89 2kma s VAL 97 N -0.12 3.42 0.10 3.82 0.11 -1.26 0.74 120.40 127.21 2kma s VAL 97 Ca 0.08 -0.56 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2kma s VAL 97 Cb -0.12 -2.42 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 2kma s VAL 97 CO 0.01 0.55 0.04 -1.59 -3.33 0.00 0.00 175.10 170.78 2kma s LYS 98 N -0.20 0.82 -0.18 1.54 -2.85 0.54 -4.97 119.74 114.44 2kma s LYS 98 Ca 0.02 -1.32 -0.04 0.00 -1.00 0.00 0.00 55.97 53.62 2kma s LYS 98 Cb -0.13 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 2kma s LYS 98 CO 0.03 -0.21 -0.02 0.99 0.10 0.00 0.00 175.35 176.24 2kma s THR 99 N -3.99 3.95 0.04 3.79 2.01 -1.26 -0.45 115.64 119.73 2kma s THR 99 Ca 0.17 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2kma s THR 99 Cb 0.07 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2kma s THR 99 CO -0.03 0.46 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.71 2kma s ILE 100 N 0.68 1.09 -0.41 1.82 -1.16 -0.68 -4.90 121.20 117.64 2kma s ILE 100 Ca -0.01 -1.03 -0.20 0.00 -0.51 0.00 0.00 60.65 58.90 2kma s ILE 100 Cb -0.14 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 41.94 2kma s ILE 100 CO 0.02 -0.03 0.60 -0.04 -2.81 0.00 0.00 174.94 172.68 2kma s MET 101 N -1.21 3.38 -0.04 3.50 -1.94 -1.26 -1.43 119.30 120.30 2kma s MET 101 Ca 0.01 -0.31 0.05 0.00 -1.71 0.00 0.00 55.69 53.73 2kma s MET 101 Cb -0.08 -3.91 -0.01 0.00 2.01 0.00 0.00 34.83 32.85 2kma s MET 101 CO 0.01 -0.89 -0.21 0.08 -0.01 0.00 0.00 175.02 174.01 2kma s VAL 102 N 2.66 1.71 0.24 -6.03 1.01 -1.18 -4.76 120.40 114.05 2kma s VAL 102 Ca 0.21 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2kma s VAL 102 Cb -0.15 -1.45 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 2kma s VAL 102 CO 0.17 0.48 1.63 0.47 0.00 0.00 0.00 175.10 177.85 2kma n ASP 103 N 2.95 3.77 0.02 3.32 9.92 -1.26 -2.08 116.55 133.20 2kma n ASP 103 Ca -0.17 1.11 0.13 0.00 -0.53 0.00 0.00 54.79 55.32 2kma n ASP 103 Cb 0.52 -1.56 0.39 0.00 -0.64 0.00 0.00 41.12 39.84 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kma n ASP 104 N 2.99 0.38 -0.51 -2.24 2.03 0.15 -3.72 116.55 115.62 2kma n ASP 104 Ca 0.12 0.18 0.05 0.00 0.52 0.00 0.00 54.79 55.66 2kma n ASP 104 Cb 0.35 -0.16 0.13 0.00 -0.72 0.00 0.00 41.12 40.72 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 -1.68 1.49 -2.75 1.67 3.41 -1.26 -4.06 113.62 110.45 2kma n SER 105 Ca 0.06 -1.99 -0.14 0.00 -0.26 0.00 0.00 58.87 56.54 2kma n SER 105 Cb 0.36 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2kma n SER 105 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kma n LYS 106 N 0.31 0.66 -2.45 4.33 -0.00 -1.24 -5.06 118.16 114.70 2kma n LYS 106 Ca 0.10 -1.95 -0.20 0.00 -0.00 0.00 0.00 58.31 56.26 2kma n LYS 106 Cb 0.24 1.14 0.09 0.00 -0.00 0.00 0.00 35.03 36.50 2kma n LYS 106 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2kma n THR 107 N -0.50 0.00 0.23 0.58 -2.24 -1.26 -3.82 114.28 107.28 2kma n THR 107 Ca -0.02 -1.48 -0.15 0.00 -2.27 0.00 0.00 64.05 60.13 2kma n THR 107 Cb 0.35 -0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.41 0.57 -0.74 2.28 2.07 -1.77 -3.12 116.25 115.13 2kma h VAL 108 Ca -0.28 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.11 2kma h VAL 108 Cb 1.09 0.69 -0.14 0.00 -1.52 0.00 0.00 31.29 31.42 2kma h VAL 108 CO 0.32 0.05 -0.28 0.74 0.02 0.00 0.00 177.57 178.42 2kma h THR 109 N -0.73 0.16 -0.86 2.57 2.02 -1.94 0.47 112.91 114.60 2kma h THR 109 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 2kma h THR 109 Cb 0.52 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2kma h THR 109 CO 0.10 0.00 0.48 -0.78 0.37 0.00 0.00 175.52 175.69 2kma h ASP 110 N -0.07 1.06 -0.15 4.18 1.82 -1.95 0.14 116.42 121.46 2kma h ASP 110 Ca 0.31 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 2kma h ASP 110 Cb 0.57 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 2kma h ASP 110 CO -0.78 0.85 0.06 -0.03 -1.61 0.00 0.00 179.24 177.72 2kma h MET 111 N 1.20 0.22 -0.82 0.28 4.05 -0.72 -1.66 114.93 117.48 2kma h MET 111 Ca 0.31 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.65 2kma h MET 111 Cb 0.01 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 2kma h MET 111 CO -0.05 0.30 0.36 1.25 0.23 0.00 0.00 176.91 179.00 2kma h LEU 112 N 0.09 1.11 -1.14 3.39 5.85 0.28 0.11 115.31 125.00 2kma h LEU 112 Ca 0.05 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.70 2kma h LEU 112 Cb 0.16 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 2kma h LEU 112 CO -0.00 0.97 0.59 -0.03 -0.34 0.00 0.00 178.44 179.63 2kma h MET 113 N 1.19 0.94 0.07 1.25 4.05 -0.58 -2.29 114.93 119.57 2kma h MET 113 Ca 0.28 -0.06 -0.27 0.00 -0.28 0.00 0.00 59.70 59.37 2kma h MET 113 Cb 0.18 -0.21 0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2kma h MET 113 CO -0.03 0.62 -1.13 1.15 0.23 0.00 0.00 176.91 177.75 2kma h THR 114 N 0.97 1.35 -0.05 -0.77 2.02 -0.23 -3.11 112.91 113.09 2kma h THR 114 Ca 0.42 -2.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 2kma h THR 114 Cb 0.33 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.35 2kma h THR 114 CO -0.18 0.76 -0.05 0.40 0.37 0.00 0.00 175.52 176.82 2kma h ILE 115 N 0.24 1.37 0.00 3.11 2.04 -0.73 -3.07 117.51 120.48 2kma h ILE 115 Ca -0.14 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 2kma h ILE 115 Cb 1.80 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 2kma h ILE 115 CO 0.21 0.33 -0.19 0.00 0.00 0.00 0.00 178.15 178.49 2kma h ALA 117 N 1.81 1.33 -0.48 0.00 0.00 -1.46 -0.76 119.26 119.70 2kma h ALA 117 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2kma h ALA 117 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2kma h ALA 117 CO 0.03 0.37 0.12 0.00 0.00 0.00 0.00 179.25 179.77 2kma h ARG 118 N 0.00 0.77 -0.06 0.00 2.47 -1.23 -3.19 114.38 113.13 2kma h ARG 118 Ca -0.00 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.45 2kma h ARG 118 Cb 0.59 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 2kma h ARG 118 CO 0.04 0.75 -0.27 0.82 0.56 0.00 0.00 179.97 181.87 2kma h ILE 119 N 0.65 1.44 0.00 2.04 1.08 -1.54 -3.48 117.51 117.70 2kma h ILE 119 Ca 0.15 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.93 2kma h ILE 119 Cb 0.33 2.35 0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2kma h ILE 119 CO 0.00 0.48 0.00 0.61 -0.69 0.00 0.00 178.15 178.55 2kma n GLY 120 N 0.68 1.56 3.71 5.37 0.00 -0.60 -5.12 105.19 110.80 2kma n GLY 120 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.59 4.88 -0.07 -0.61 1.01 -0.39 -4.95 121.20 119.48 2kma s ILE 121 Ca 0.00 1.87 0.14 0.00 0.00 0.00 0.00 60.65 62.66 2kma s ILE 121 Cb 0.00 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 2kma s ILE 121 CO 0.00 0.21 1.06 0.00 0.00 0.00 0.00 174.94 176.21 2kma h THR 122 N 4.70 0.90 -3.16 2.92 1.03 -1.99 -3.38 112.91 113.94 2kma h THR 122 Ca -0.41 -2.47 -0.58 0.00 -0.01 0.00 0.00 66.41 62.94 2kma h THR 122 Cb 1.21 2.37 -0.04 0.00 -1.07 0.00 0.00 68.15 70.63 2kma h THR 122 CO 0.75 0.52 -0.30 0.20 -0.01 0.00 0.00 175.52 176.67 2kma s ASN 123 N -6.21 6.52 0.00 0.00 0.01 -1.26 -4.96 114.94 109.04 2kma s ASN 123 Ca -0.01 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 2kma s ASN 123 Cb 0.08 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.64 2kma s ASN 123 CO 0.80 0.07 0.00 0.00 -1.51 0.00 0.00 177.10 176.46 2kma n HIS 124 N 0.25 0.00 0.04 2.20 1.44 -1.26 -4.85 115.22 113.03 2kma n HIS 124 Ca -0.04 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.67 2kma n HIS 124 Cb 0.52 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.55 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 0.00 4.39 3.32 -1.97 -3.28 116.42 118.88 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kma h ASP 125 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kma h ASP 125 CO 0.00 0.58 0.00 -1.84 -1.72 0.00 0.00 179.24 176.26 2kma n GLU 126 N -2.92 0.85 -4.41 3.56 0.28 -1.26 -4.78 120.64 111.97 2kma n GLU 126 Ca -0.09 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.63 2kma n GLU 126 Cb 0.84 -1.23 -0.12 0.00 1.43 0.00 0.00 31.44 32.35 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 2.31 0.10 -1.84 2.02 -1.24 -0.14 117.35 116.55 2kma s TYR 127 Ca 0.19 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 2kma s TYR 127 Cb 0.09 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 2kma s TYR 127 CO 0.15 0.45 0.04 0.43 -1.57 0.00 0.00 175.55 175.04 2kma n SER 128 N 0.48 1.79 -4.15 2.29 7.64 -0.33 -4.76 113.62 116.58 2kma n SER 128 Ca -0.14 -1.37 -0.19 0.00 1.01 0.00 0.00 58.87 58.17 2kma n SER 128 Cb 0.55 0.03 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 2kma n SER 128 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kma s LEU 129 N 0.00 2.22 -0.11 -3.43 0.20 -1.25 -2.95 118.68 113.37 2kma s LEU 129 Ca 0.03 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.29 2kma s LEU 129 Cb -0.00 -0.56 0.05 0.00 -0.43 0.00 0.00 46.19 45.25 2kma s LEU 129 CO 0.02 -0.02 0.07 0.54 -0.29 0.00 0.00 176.35 176.67 2kma s VAL 130 N -1.03 -0.06 -0.45 1.68 0.11 -0.66 0.14 120.40 120.12 2kma s VAL 130 Ca -0.00 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.03 2kma s VAL 130 Cb -0.09 -0.39 0.08 0.00 -1.53 0.00 0.00 36.38 34.45 2kma s VAL 130 CO 0.02 -0.05 0.34 -0.13 -3.33 0.00 0.00 175.10 171.95 2kma s ARG 131 N 2.14 2.77 -0.56 1.54 0.52 0.17 0.33 118.95 125.86 2kma s ARG 131 Ca 0.03 -1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 53.50 2kma s ARG 131 Cb -0.14 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 31.36 2kma s ARG 131 CO -0.06 -1.04 1.47 -1.21 0.02 0.00 0.00 175.30 174.48 2kma s GLU 132 N 1.52 3.24 0.51 3.54 2.02 -0.78 -3.31 118.70 125.44 2kma s GLU 132 Ca 0.04 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.57 2kma s GLU 132 Cb -0.24 -4.15 0.09 0.00 0.10 0.00 0.00 34.13 29.92 2kma s GLU 132 CO 0.04 -2.02 0.71 1.28 0.02 0.00 0.00 175.26 175.29 2kma n LEU 133 N 9.88 0.00 -0.88 1.80 4.77 -1.24 -3.50 117.00 127.84 2kma n LEU 133 Ca 0.13 -2.04 0.11 0.00 -0.03 0.00 0.00 56.01 54.18 2kma n LEU 133 Cb 0.49 -0.40 0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2kma n LEU 133 CO 0.71 -0.73 0.60 1.15 -1.33 0.00 0.00 177.39 177.79 2kma n MET 134 N -2.16 2.02 -1.61 3.23 0.00 -1.26 -4.87 117.12 112.46 2kma n MET 134 Ca 0.14 -1.82 -0.62 0.00 0.00 0.00 0.00 57.70 55.40 2kma n MET 134 Cb 0.50 -1.42 -0.09 0.00 0.00 0.00 0.00 33.22 32.21 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 1.22 0.45 0.21 3.17 -0.58 -1.26 -4.83 120.64 119.02 2kma n GLU 135 Ca 0.13 0.16 0.09 0.00 -0.42 0.00 0.00 57.16 57.12 2kma n GLU 135 Cb 0.54 -1.77 0.29 0.00 -0.57 0.00 0.00 31.44 29.92 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 7.15 0.00 0.00 3.49 4.11 -1.99 -1.43 114.58 125.91 2kma h GLU 136 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 2kma h GLU 136 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2kma h GLU 136 CO 1.00 0.21 -0.04 0.87 0.07 0.00 0.00 179.01 181.13 2kma h LYS 137 N 0.00 0.00 0.43 1.06 1.57 -2.03 -3.42 116.57 114.18 2kma h LYS 137 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2kma h LYS 137 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2kma h LYS 137 CO 0.03 0.00 -0.21 0.87 -0.57 0.00 0.00 179.45 179.57 2kma h LYS 138 N -0.17 -0.56 -5.56 3.15 1.57 -1.97 -3.47 116.57 109.57 2kma h LYS 138 Ca 0.00 0.04 -0.42 0.00 -1.87 0.00 0.00 60.65 58.40 2kma h LYS 138 Cb 0.04 0.13 0.07 0.00 0.08 0.00 0.00 32.23 32.54 2kma h LYS 138 CO 0.00 -0.37 -0.67 -3.47 -0.57 0.00 0.00 179.45 174.37 2kma n ASP 169 N -3.95 -5.83 -4.96 0.86 2.03 -0.54 -4.98 116.55 99.18 2kma n ASP 169 Ca -0.07 -0.51 -0.23 0.00 0.52 0.00 0.00 54.79 54.49 2kma n ASP 169 Cb 0.23 -4.64 -0.02 0.00 -0.72 0.00 0.00 41.12 35.96 2kma n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kma s GLU 170 N -6.20 3.45 0.28 -0.67 2.02 -1.26 -4.96 118.70 111.35 2kma s GLU 170 Ca 0.52 -0.63 0.25 0.00 0.02 0.00 0.00 54.97 55.12 2kma s GLU 170 Cb -0.24 -2.89 0.98 0.00 0.10 0.00 0.00 34.13 32.08 2kma s GLU 170 CO 0.64 0.43 1.74 -0.07 0.02 0.00 0.00 175.26 178.03 2kma h LEU 171 N 1.52 0.00 -3.13 1.80 3.38 -1.94 -3.27 115.31 113.67 2kma h LEU 171 Ca -0.50 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.20 2kma h LEU 171 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kma h LEU 171 CO 0.64 0.00 -0.76 0.59 0.09 0.00 0.00 178.44 179.00 2kma n ASN 172 N -2.32 -6.23 -4.51 -0.43 3.02 -1.21 0.46 115.26 104.04 2kma n ASN 172 Ca 0.03 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.84 2kma n ASN 172 Cb 0.27 -3.16 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 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 -2.57 2.58 0.09 3.10 0.52 -1.26 -0.08 118.94 121.32 2kma s TRP 173 Ca 0.13 -0.60 -0.31 0.00 0.02 0.00 0.00 56.10 55.34 2kma s TRP 173 Cb -0.02 -4.51 -0.09 0.00 -1.15 0.00 0.00 33.47 27.69 2kma s TRP 173 CO 0.84 -1.84 1.76 -0.51 0.02 0.00 0.00 176.95 177.22 2kma s LEU 174 N 4.64 4.39 0.40 2.99 1.43 0.37 -4.87 118.68 128.03 2kma s LEU 174 Ca 0.35 2.63 0.28 0.00 -1.03 0.00 0.00 54.13 56.36 2kma s LEU 174 Cb -0.07 -3.56 0.96 0.00 0.03 0.00 0.00 46.19 43.54 2kma s LEU 174 CO 0.03 -0.96 1.80 -0.78 0.23 0.00 0.00 176.35 176.67 2kma h ASP 175 N 8.65 0.00 0.00 2.29 1.82 -1.93 -3.30 116.42 123.95 2kma h ASP 175 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2kma h ASP 175 Cb 1.21 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.22 2kma h ASP 175 CO 0.94 0.00 0.00 1.41 -1.61 0.00 0.00 179.24 179.98 2kma n HIS 176 N -2.76 0.00 -0.01 0.28 8.25 -1.26 -4.88 115.22 114.84 2kma n HIS 176 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.49 2kma n HIS 176 Cb 0.36 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.38 -0.21 3.73 -1.41 0.00 -1.26 -4.38 105.19 99.28 2kma n GLY 177 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.23 4.69 0.65 1.61 6.06 -1.26 -4.95 118.95 123.51 2kma s ARG 178 Ca -0.02 1.44 -0.09 0.00 -2.50 0.00 0.00 55.73 54.56 2kma s ARG 178 Cb 0.02 -3.38 0.01 0.00 0.06 0.00 0.00 34.95 31.66 2kma s ARG 178 CO 0.18 0.21 1.00 -0.08 -2.50 0.00 0.00 175.30 174.12 2kma s THR 179 N 0.02 3.61 0.06 4.11 -1.32 -1.26 -3.97 115.64 116.89 2kma s THR 179 Ca 0.47 0.27 0.01 0.00 -1.21 0.00 0.00 61.69 61.22 2kma s THR 179 Cb -0.23 -3.48 -0.25 0.00 -1.51 0.00 0.00 72.50 67.02 2kma s THR 179 CO 0.30 -0.57 1.05 -0.07 -2.21 0.00 0.00 174.62 173.12 2kma h LEU 180 N -0.41 0.25 -1.48 9.08 3.38 -1.75 -3.05 115.31 121.33 2kma h LEU 180 Ca -0.45 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.17 2kma h LEU 180 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2kma h LEU 180 CO 0.62 1.25 -0.22 -0.09 0.09 0.00 0.00 178.44 180.09 2kma h ARG 181 N 0.04 0.00 -0.00 1.13 9.65 -1.89 -1.55 114.38 121.76 2kma h ARG 181 Ca -0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2kma h ARG 181 Cb 1.93 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.51 2kma h ARG 181 CO 0.16 0.22 -0.08 -1.91 2.80 0.00 0.00 179.97 181.16 2kma n GLU 182 N -3.65 0.08 -0.04 0.20 4.07 -1.16 -2.77 120.64 117.38 2kma n GLU 182 Ca -0.01 -0.01 -0.04 0.00 -0.06 0.00 0.00 57.16 57.04 2kma n GLU 182 Cb 0.35 -1.50 -0.14 0.00 -0.06 0.00 0.00 31.44 30.09 2kma n GLU 182 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2kma n GLN 183 N -1.45 0.66 -1.08 5.31 6.02 -0.64 -4.98 117.38 121.22 2kma n GLN 183 Ca 0.08 0.08 -0.03 0.00 -0.01 0.00 0.00 57.00 57.13 2kma n GLN 183 Cb 0.33 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 1.55 0.61 3.74 1.08 0.00 -0.86 -4.98 105.19 106.32 2kma n GLY 184 Ca -0.19 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.06 2.04 0.66 1.61 -7.23 -1.23 -5.00 120.40 109.19 2kma s VAL 185 Ca 0.00 0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.21 2kma s VAL 185 Cb 0.00 -3.02 0.10 0.00 0.56 0.00 0.00 36.38 34.02 2kma s VAL 185 CO 0.00 0.00 0.91 -1.61 -0.31 0.00 0.00 175.10 174.10 2kma s GLU 186 N 0.14 1.98 0.16 4.82 0.41 -1.26 -4.95 118.70 120.00 2kma s GLU 186 Ca 0.68 -1.06 0.08 0.00 -0.41 0.00 0.00 54.97 54.26 2kma s GLU 186 Cb -0.49 -2.40 -0.07 0.00 -1.78 0.00 0.00 34.13 29.39 2kma s GLU 186 CO 0.42 -1.18 1.36 0.93 -0.49 0.00 0.00 175.26 176.30 2kma h GLU 187 N -0.29 0.00 0.00 1.61 3.07 -1.95 -3.23 114.58 113.79 2kma h GLU 187 Ca -0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 2kma h GLU 187 Cb 1.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2kma h GLU 187 CO 0.44 0.90 0.00 -2.39 -1.40 0.00 0.00 179.01 176.56 2kma n HIS 188 N -3.46 0.00 -2.99 4.33 1.44 -1.26 -4.24 115.22 109.04 2kma n HIS 188 Ca -0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 2kma n HIS 188 Cb 0.86 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.92 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 -2.00 4.45 -0.20 -1.40 0.41 -1.22 -4.98 118.70 113.76 2kma s GLU 189 Ca 0.35 0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 55.58 2kma s GLU 189 Cb 0.16 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2kma s GLU 189 CO 0.27 0.03 1.11 0.99 -0.49 0.00 0.00 175.26 177.17 2kma s THR 190 N 0.88 4.56 -0.08 3.63 2.01 -1.23 -3.95 115.64 121.47 2kma s THR 190 Ca 0.40 1.88 0.01 0.00 0.31 0.00 0.00 61.69 64.29 2kma s THR 190 Cb -0.18 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2kma s THR 190 CO 0.19 -0.16 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.12 2kma s LEU 191 N 3.21 3.03 -0.13 4.42 2.01 0.16 -1.87 118.68 129.52 2kma s LEU 191 Ca 0.48 -0.10 -0.01 0.00 0.01 0.00 0.00 54.13 54.50 2kma s LEU 191 Cb -0.17 -1.66 -0.02 0.00 0.01 0.00 0.00 46.19 44.35 2kma s LEU 191 CO 0.09 0.32 -0.08 -0.76 1.01 0.00 0.00 176.35 176.93 2kma s LEU 192 N -0.57 3.01 -0.12 1.79 1.43 0.15 -1.19 118.68 123.19 2kma s LEU 192 Ca 0.08 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 52.75 2kma s LEU 192 Cb -0.12 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2kma s LEU 192 CO 0.02 0.21 0.78 -0.22 0.23 0.00 0.00 176.35 177.36 2kma s LEU 193 N 0.11 4.24 0.07 1.79 0.20 -0.37 -1.66 118.68 123.07 2kma s LEU 193 Ca -0.03 1.19 0.07 0.00 0.69 0.00 0.00 54.13 56.05 2kma s LEU 193 Cb -0.14 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2kma s LEU 193 CO 0.04 -0.27 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.50 2kma s ARG 194 N 1.51 1.21 -0.28 1.98 1.81 -1.15 -4.10 118.95 119.92 2kma s ARG 194 Ca 0.38 -1.04 -0.24 0.00 -1.72 0.00 0.00 55.73 53.12 2kma s ARG 194 Cb -0.17 -1.38 -0.00 0.00 -0.45 0.00 0.00 34.95 32.94 2kma s ARG 194 CO 0.16 0.34 0.79 0.50 -0.68 0.00 0.00 175.30 176.41 2kma s ARG 195 N -1.55 4.04 -0.17 3.54 3.52 -1.26 -1.19 118.95 125.89 2kma s ARG 195 Ca 0.06 0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 56.15 2kma s ARG 195 Cb -0.09 -3.70 -0.23 0.00 -1.56 0.00 0.00 34.95 29.37 2kma s ARG 195 CO 0.03 -0.61 0.40 -0.22 -0.81 0.00 0.00 175.30 174.08 2kma h LYS 196 N 7.97 0.07 -6.13 5.12 3.64 -0.84 -3.46 116.57 122.93 2kma h LYS 196 Ca -0.24 -0.12 -0.59 0.00 -1.27 0.00 0.00 60.65 58.43 2kma h LYS 196 Cb 1.10 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 2kma h LYS 196 CO 0.87 1.06 -0.13 -0.06 -2.27 0.00 0.00 179.45 178.92 2kma s PHE 197 N -2.37 3.74 -0.54 1.91 0.08 -0.71 -5.01 117.98 115.09 2kma s PHE 197 Ca -0.25 1.10 0.07 0.00 0.12 0.00 0.00 56.93 57.97 2kma s PHE 197 Cb 0.04 -2.37 0.30 0.00 -0.57 0.00 0.00 43.02 40.41 2kma s PHE 197 CO 0.66 0.60 0.77 1.19 -0.10 0.00 0.00 175.22 178.34 2kma n PHE 198 N 1.64 2.60 0.18 0.36 3.72 -1.26 -4.88 117.46 119.81 2kma n PHE 198 Ca -0.11 -3.96 0.05 0.00 -0.05 0.00 0.00 57.45 53.38 2kma n PHE 198 Cb 0.52 -0.48 0.28 0.00 -0.94 0.00 0.00 39.48 38.85 2kma n PHE 198 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 2kma h TYR 199 N 3.57 0.00 -5.79 1.38 -0.00 -1.99 -3.48 116.97 110.66 2kma h TYR 199 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.72 2kma h TYR 199 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.42 2kma h TYR 199 CO 0.66 0.40 -0.37 0.45 -0.00 0.00 0.00 178.16 179.31 2kma n SER 200 N -3.46 -6.91 0.00 0.10 2.88 -1.26 -2.65 113.62 102.31 2kma n SER 200 Ca 0.00 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 2kma n SER 200 Cb 0.56 -4.19 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kma n ASP 201 N -1.91 0.00 0.00 -3.46 2.03 -1.26 -5.34 116.55 106.61 2kma n ASP 201 Ca -0.09 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.33 2kma n ASP 201 Cb 0.56 -0.46 0.65 0.00 -0.72 0.00 0.00 41.12 41.16 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95