#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 3.44 -0.27 -0.61 -1.09 -1.26 -4.91 121.20 116.50 2kma s ILE -4 Ca 0.00 0.81 -0.38 0.00 -2.23 0.00 0.00 60.65 58.85 2kma s ILE -4 Cb 0.00 -3.30 -0.14 0.00 -1.58 0.00 0.00 42.46 37.44 2kma s ILE -4 CO 0.00 -0.28 1.90 0.47 -1.23 0.00 0.00 174.94 175.80 2kma n ASP -3 N -1.59 2.47 -4.77 3.58 9.92 -1.26 -4.90 116.55 120.01 2kma n ASP -3 Ca 0.10 0.88 -0.41 0.00 -0.53 0.00 0.00 54.79 54.83 2kma n ASP -3 Cb 0.52 -1.20 -0.01 0.00 -0.64 0.00 0.00 41.12 39.78 2kma n ASP -3 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2kma s PRO -2 N 4.43 4.20 -1.33 -0.24 0.02 -1.26 -4.89 135.00 135.92 2kma s PRO -2 Ca 1.01 2.44 -0.13 0.00 0.02 0.00 0.00 61.00 64.34 2kma s PRO -2 Cb -0.96 -3.02 0.11 0.00 0.02 0.00 0.00 34.50 30.65 2kma s PRO -2 CO 0.59 -0.44 1.91 1.19 -0.33 0.00 0.00 177.00 179.92 2kma n PHE -1 N 1.10 3.64 0.00 6.54 3.72 -1.26 -4.92 117.46 126.28 2kma n PHE -1 Ca 0.03 -2.94 0.00 0.00 -0.05 0.00 0.00 57.45 54.49 2kma n PHE -1 Cb 0.40 -2.27 0.00 0.00 -0.94 0.00 0.00 39.48 36.67 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 4.47 0.00 -1.74 4.37 -2.24 -1.26 -0.59 114.28 117.29 2kma n THR 0 Ca 0.45 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.20 2kma n THR 0 Cb 0.39 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.78 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 14.00 2.17 -2.55 -0.78 1.56 -1.26 -4.62 117.12 125.64 2kma n MET 1 Ca 0.00 -3.55 -0.16 0.00 -0.27 0.00 0.00 57.70 53.72 2kma n MET 1 Cb 0.00 -1.80 0.02 0.00 2.15 0.00 0.00 33.22 33.59 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 -0.98 1.70 -4.10 1.12 0.24 0.24 -5.03 118.33 111.51 2kma n VAL 2 Ca 0.26 -3.88 -0.14 0.00 -2.04 0.00 0.00 64.34 58.54 2kma n VAL 2 Cb 0.78 -0.18 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.40 0.49 -0.19 2.33 0.00 -1.17 -4.14 121.76 115.68 2kma s ALA 3 Ca 0.37 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2kma s ALA 3 Cb 0.42 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2kma s ALA 3 CO -0.06 0.04 0.00 -0.51 0.00 0.00 0.00 175.76 175.23 2kma s LEU 4 N -0.88 3.30 -0.61 0.00 1.02 0.10 -4.72 118.68 116.90 2kma s LEU 4 Ca -0.04 -0.17 -0.20 0.00 0.02 0.00 0.00 54.13 53.74 2kma s LEU 4 Cb -0.06 -1.83 0.10 0.00 0.02 0.00 0.00 46.19 44.41 2kma s LEU 4 CO 0.00 0.08 0.77 -0.44 0.02 0.00 0.00 176.35 176.78 2kma s SER 5 N 0.89 6.19 -0.13 2.29 0.01 -1.26 -1.56 113.70 120.13 2kma s SER 5 Ca 0.01 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.91 2kma s SER 5 Cb -0.14 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kma s SER 5 CO 0.02 -1.19 -0.08 -0.76 0.41 0.00 0.00 173.24 171.64 2kma s LEU 6 N 2.99 3.05 -0.48 2.44 1.43 0.12 -0.96 118.68 127.27 2kma s LEU 6 Ca 0.14 -0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 52.79 2kma s LEU 6 Cb -0.22 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2kma s LEU 6 CO 0.07 0.21 1.05 -0.54 0.23 0.00 0.00 176.35 177.37 2kma s LYS 7 N 0.10 3.61 -0.69 1.70 1.02 -0.53 -1.97 119.74 122.98 2kma s LYS 7 Ca -0.03 0.35 -0.22 0.00 0.02 0.00 0.00 55.97 56.09 2kma s LYS 7 Cb -0.14 -3.93 0.07 0.00 -0.52 0.00 0.00 37.83 33.31 2kma s LYS 7 CO 0.03 -1.36 0.99 0.42 -0.92 0.00 0.00 175.35 174.52 2kma s ILE 8 N 4.22 4.34 -0.35 2.17 -1.09 0.22 0.54 121.20 131.25 2kma s ILE 8 Ca 0.43 -0.46 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 2kma s ILE 8 Cb -0.08 -4.70 0.01 0.00 -1.58 0.00 0.00 42.46 36.10 2kma s ILE 8 CO 0.29 -1.48 0.80 -0.55 -1.23 0.00 0.00 174.94 172.77 2kma s SER 9 N 3.70 6.59 -0.80 3.58 0.15 -0.78 -0.07 113.70 126.07 2kma s SER 9 Ca 0.24 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.36 2kma s SER 9 Cb -0.15 -2.41 0.26 0.00 -1.71 0.00 0.00 66.02 62.01 2kma s SER 9 CO 0.08 -0.72 0.96 -0.38 1.20 0.00 0.00 173.24 174.38 2kma n ILE 10 N 5.75 3.29 0.00 6.45 5.41 0.19 -0.19 119.36 140.27 2kma n ILE 10 Ca 0.04 -5.41 0.00 0.00 1.00 0.00 0.00 62.75 58.38 2kma n ILE 10 Cb 0.48 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 2kma n ILE 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kma n GLY 11 N 1.20 1.14 0.00 7.39 0.00 -1.26 -2.51 105.19 111.15 2kma n GLY 11 Ca 0.27 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.86 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 3.09 0.91 -4.27 1.61 0.23 -1.26 -4.98 115.26 110.59 2kma n ASN 12 Ca 0.00 -0.88 -0.15 0.00 -0.53 0.00 0.00 54.58 53.02 2kma n ASN 12 Cb 0.00 0.97 -0.10 0.00 -2.08 0.00 0.00 39.78 38.57 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kma s VAL 13 N -3.02 0.99 -0.04 3.53 0.11 -1.05 -5.15 120.40 115.77 2kma s VAL 13 Ca 0.08 -2.03 -0.01 0.00 -2.93 0.00 0.00 61.98 57.08 2kma s VAL 13 Cb 0.16 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.96 2kma s VAL 13 CO 0.85 -0.54 0.08 0.54 -3.33 0.00 0.00 175.10 172.70 2kma s VAL 14 N -3.45 -0.09 0.06 2.04 0.11 -1.26 0.58 120.40 118.40 2kma s VAL 14 Ca 0.22 0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2kma s VAL 14 Cb 0.05 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2kma s VAL 14 CO 0.04 0.11 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.18 2kma s LYS 15 N 1.47 1.93 -0.37 1.54 -0.14 0.90 -4.90 119.74 120.17 2kma s LYS 15 Ca -0.05 -1.07 -0.14 0.00 -1.36 0.00 0.00 55.97 53.35 2kma s LYS 15 Cb -0.12 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 33.90 2kma s LYS 15 CO -0.04 0.52 0.30 0.99 -0.76 0.00 0.00 175.35 176.36 2kma s THR 16 N -0.96 5.24 0.07 2.17 2.01 -1.26 0.70 115.64 123.60 2kma s THR 16 Ca 0.15 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2kma s THR 16 Cb -0.10 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2kma s THR 16 CO 0.06 -0.16 -0.14 -0.04 -0.69 0.00 0.00 174.62 173.65 2kma s MET 17 N 1.80 0.80 -0.05 4.92 -1.94 -0.83 -5.00 119.30 119.01 2kma s MET 17 Ca 0.07 -0.93 0.05 0.00 -1.71 0.00 0.00 55.69 53.17 2kma s MET 17 Cb -0.18 -0.80 -0.02 0.00 2.01 0.00 0.00 34.83 35.84 2kma s MET 17 CO 0.11 0.18 -0.18 -0.65 -0.01 0.00 0.00 175.02 174.46 2kma s GLN 18 N -1.68 2.52 0.17 2.03 -0.21 -1.25 -0.70 119.66 120.53 2kma s GLN 18 Ca -0.02 -0.78 0.07 0.00 0.02 0.00 0.00 55.36 54.65 2kma s GLN 18 Cb -0.10 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.57 2kma s GLN 18 CO 0.02 0.53 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.53 2kma s PHE 19 N -0.51 1.55 0.25 0.91 0.08 -0.60 -4.89 117.98 114.77 2kma s PHE 19 Ca 0.07 -0.61 -0.23 0.00 0.12 0.00 0.00 56.93 56.28 2kma s PHE 19 Cb -0.11 -0.75 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 2kma s PHE 19 CO 0.01 0.25 0.81 -1.21 -0.10 0.00 0.00 175.22 174.98 2kma s GLU 20 N -3.43 4.43 0.48 0.44 2.02 -1.26 0.01 118.70 121.39 2kma s GLU 20 Ca 0.18 1.08 0.30 0.00 0.02 0.00 0.00 54.97 56.55 2kma s GLU 20 Cb -0.01 -2.92 1.39 0.00 0.10 0.00 0.00 34.13 32.68 2kma s GLU 20 CO 0.04 0.39 1.78 -1.00 0.02 0.00 0.00 175.26 176.49 2kma h PRO 21 N 3.50 0.14 -0.44 0.39 0.13 -1.94 0.24 132.00 134.03 2kma h PRO 21 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kma h PRO 21 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kma h PRO 21 CO 0.65 0.10 0.00 0.45 -0.23 0.00 0.00 178.00 178.97 2kma n SER 22 N -4.37 3.85 -0.03 1.44 2.88 -1.26 -3.54 113.62 112.58 2kma n SER 22 Ca 0.27 -2.43 -0.09 0.00 -1.33 0.00 0.00 58.87 55.29 2kma n SER 22 Cb 1.14 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 64.13 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2kma h THR 23 N 2.74 0.82 -0.84 2.46 2.02 -0.88 -3.49 112.91 115.73 2kma h THR 23 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2kma h THR 23 Cb 1.18 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2kma h THR 23 CO 0.14 0.00 -0.21 0.80 0.37 0.00 0.00 175.52 176.62 2kma n MET 24 N -5.18 -1.01 -0.38 6.66 1.56 -1.26 -4.12 117.12 113.39 2kma n MET 24 Ca -0.03 0.76 -0.03 0.00 -0.27 0.00 0.00 57.70 58.13 2kma n MET 24 Cb 0.12 -0.88 0.01 0.00 2.15 0.00 0.00 33.22 34.62 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma n VAL 25 N -1.19 -0.54 0.01 1.12 0.31 -1.25 -0.97 118.33 115.82 2kma n VAL 25 Ca 0.00 2.27 0.06 0.00 -0.01 0.00 0.00 64.34 66.66 2kma n VAL 25 Cb 0.03 -2.95 0.46 0.00 -0.91 0.00 0.00 33.84 30.47 2kma n VAL 25 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2kma h TYR 26 N 0.00 0.44 0.10 3.52 -0.00 -1.85 -0.07 116.97 119.11 2kma h TYR 26 Ca 0.29 0.01 -0.28 0.00 -0.00 0.00 0.00 58.73 58.75 2kma h TYR 26 Cb 0.54 -0.15 0.02 0.00 -0.00 0.00 0.00 36.73 37.14 2kma h TYR 26 CO -0.88 0.26 -1.19 0.22 -0.00 0.00 0.00 178.16 176.58 2kma h ASP 27 N 0.46 0.75 -0.20 0.10 1.82 -1.21 -3.06 116.42 115.08 2kma h ASP 27 Ca 0.16 -0.69 0.02 0.00 -0.39 0.00 0.00 57.03 56.13 2kma h ASP 27 Cb 0.08 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 2kma h ASP 27 CO -0.04 1.50 0.09 0.00 -1.61 0.00 0.00 179.24 179.18 2kma h ALA 28 N 0.42 0.23 -0.17 -0.78 0.00 -0.29 -2.39 119.26 116.28 2kma h ALA 28 Ca -0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2kma h ALA 28 Cb 1.86 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2kma h ALA 28 CO 0.22 -0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.26 2kma h ARG 30 N 0.12 0.22 0.08 0.00 0.11 -1.33 -2.88 114.38 110.70 2kma h ARG 30 Ca 0.07 -0.28 -0.17 0.00 0.10 0.00 0.00 59.98 59.70 2kma h ARG 30 Cb 0.15 0.09 0.02 0.00 1.11 0.00 0.00 29.97 31.33 2kma h ARG 30 CO -0.01 1.03 -0.72 0.52 0.10 0.00 0.00 179.97 180.89 2kma h MET 31 N 0.11 0.35 -0.57 0.08 2.86 -1.03 -3.15 114.93 113.58 2kma h MET 31 Ca -0.06 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 2kma h MET 31 Cb 1.64 0.16 -0.03 0.00 0.06 0.00 0.00 31.60 33.43 2kma h MET 31 CO 0.15 1.18 0.30 0.97 1.06 0.00 0.00 176.91 180.57 2kma h ILE 32 N -0.24 1.19 0.00 -1.22 2.10 -1.20 0.06 117.51 118.20 2kma h ILE 32 Ca -0.11 -0.51 -0.01 0.00 1.08 0.00 0.00 64.86 65.31 2kma h ILE 32 Cb 1.49 0.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.70 2kma h ILE 32 CO 0.14 0.21 -0.06 0.08 -1.08 0.00 0.00 178.15 177.44 2kma h ARG 33 N 0.77 0.00 0.29 2.19 0.11 -1.64 0.12 114.38 116.21 2kma h ARG 33 Ca 0.20 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.27 2kma h ARG 33 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2kma h ARG 33 CO -0.03 0.06 -0.14 1.49 0.10 0.00 0.00 179.97 181.45 2kma h GLU 34 N 0.00 -0.37 0.06 0.08 4.57 -0.99 -3.39 114.58 114.54 2kma h GLU 34 Ca -0.00 0.03 -0.26 0.00 -1.18 0.00 0.00 59.36 57.94 2kma h GLU 34 Cb 0.13 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2kma h GLU 34 CO 0.01 -0.23 -1.32 0.07 -1.18 0.00 0.00 179.01 176.36 2kma h ARG 35 N -1.10 0.13 -4.54 1.92 -0.00 -1.24 -3.43 114.38 106.11 2kma h ARG 35 Ca -0.04 -0.22 -0.71 0.00 -0.00 0.00 0.00 59.98 59.01 2kma h ARG 35 Cb 0.31 0.08 -0.23 0.00 -0.00 0.00 0.00 29.97 30.13 2kma h ARG 35 CO 0.06 1.00 -0.47 0.42 -0.00 0.00 0.00 179.97 180.98 2kma s ILE 36 N -2.65 4.87 -0.64 0.08 1.01 0.40 -4.93 121.20 119.33 2kma s ILE 36 Ca -0.04 -0.80 0.24 0.00 0.00 0.00 0.00 60.65 60.05 2kma s ILE 36 Cb 0.08 -3.73 0.25 0.00 0.01 0.00 0.00 42.46 39.07 2kma s ILE 36 CO 0.84 -0.29 1.72 -2.65 0.00 0.00 0.00 174.94 174.57 2kma n PRO 37 N 5.07 0.18 0.15 2.79 -0.02 -1.26 -2.56 135.00 139.35 2kma n PRO 37 Ca -0.11 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.81 2kma n PRO 37 Cb 0.46 -1.79 0.36 0.00 -0.02 0.00 0.00 33.50 32.51 2kma n PRO 37 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kma h GLU 38 N 0.00 0.00 -0.11 -0.52 4.39 -1.92 -3.32 114.58 113.10 2kma h GLU 38 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2kma h GLU 38 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2kma h GLU 38 CO 0.00 0.00 -0.42 0.00 -1.16 0.00 0.00 179.01 177.43 2kma h ALA 39 N 2.31 0.19 -1.21 3.43 0.00 -1.80 -3.35 119.26 118.84 2kma h ALA 39 Ca 0.00 -0.47 -0.78 0.00 0.00 0.00 0.00 54.91 53.66 2kma h ALA 39 Cb 0.77 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.33 2kma h ALA 39 CO 0.00 0.31 1.50 1.47 0.00 0.00 0.00 179.25 182.53 2kma n LEU 40 N -4.31 7.14 0.13 0.00 -0.00 -1.25 -4.64 117.00 114.07 2kma n LEU 40 Ca -0.08 -5.08 0.11 0.00 -0.00 0.00 0.00 56.01 50.97 2kma n LEU 40 Cb 0.55 -1.30 0.49 0.00 -0.00 0.00 0.00 43.42 43.16 2kma n LEU 40 CO 0.44 1.82 0.84 0.00 -0.00 0.00 0.00 177.39 180.50 2kma n ALA 41 N 1.52 1.57 -3.00 1.47 0.00 -1.26 -4.79 120.51 116.03 2kma n ALA 41 Ca 0.44 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2kma n ALA 41 Cb 0.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2kma n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kma n GLY 42 N -0.19 5.24 3.70 0.00 0.00 -1.26 -5.12 105.19 107.57 2kma n GLY 42 Ca 0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 1.81 4.19 0.60 1.61 0.02 -1.26 -4.89 135.00 137.08 2kma s PRO 43 Ca 0.00 2.38 0.32 0.00 0.02 0.00 0.00 61.00 63.72 2kma s PRO 43 Cb 0.00 -3.46 1.89 0.00 0.02 0.00 0.00 34.50 32.96 2kma s PRO 43 CO 0.00 -0.71 2.26 -1.00 -0.33 0.00 0.00 177.00 177.22 2kma h PRO 44 N 7.88 0.00 0.00 5.54 0.13 -1.96 0.41 132.00 144.00 2kma h PRO 44 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kma h PRO 44 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kma h PRO 44 CO 0.93 0.01 0.00 -0.91 -0.23 0.00 0.00 178.00 177.80 2kma h ASN 45 N 0.00 0.00 -0.47 1.44 2.35 -2.02 -3.10 115.58 113.78 2kma h ASN 45 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2kma h ASN 45 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 2kma n ASP 46 N -2.73 2.80 -4.35 5.81 9.92 0.13 -4.89 116.55 123.24 2kma n ASP 46 Ca 0.02 -1.96 -0.32 0.00 -0.53 0.00 0.00 54.79 52.00 2kma n ASP 46 Cb 0.35 -0.31 -0.15 0.00 -0.64 0.00 0.00 41.12 40.37 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2kma s PHE 47 N -1.37 2.58 0.19 1.24 0.08 -1.18 0.72 117.98 120.25 2kma s PHE 47 Ca 0.36 -0.53 0.03 0.00 0.12 0.00 0.00 56.93 56.91 2kma s PHE 47 Cb 0.19 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.98 2kma s PHE 47 CO 0.26 -0.09 0.11 0.41 -0.10 0.00 0.00 175.22 175.81 2kma n GLY 48 N 2.84 3.55 3.43 4.36 0.00 -0.33 -4.69 105.19 114.36 2kma n GLY 48 Ca -0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2kma n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kma s LEU 49 N 0.00 4.85 -0.14 0.99 1.43 -1.26 -2.71 118.68 121.84 2kma s LEU 49 Ca 0.16 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.26 2kma s LEU 49 Cb 0.01 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2kma s LEU 49 CO 0.11 -0.39 0.26 0.12 0.23 0.00 0.00 176.35 176.68 2kma s PHE 50 N 1.63 3.51 -0.34 0.29 5.36 0.62 0.39 117.98 129.44 2kma s PHE 50 Ca 0.04 0.60 -0.15 0.00 -0.96 0.00 0.00 56.93 56.46 2kma s PHE 50 Cb -0.19 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 2kma s PHE 50 CO 0.09 0.37 0.33 -1.17 -1.46 0.00 0.00 175.22 173.38 2kma s LEU 51 N 0.04 4.46 -0.39 6.12 1.98 0.08 -0.02 118.68 130.95 2kma s LEU 51 Ca 0.16 -0.28 -0.29 0.00 -2.89 0.00 0.00 54.13 50.83 2kma s LEU 51 Cb -0.13 -2.29 0.02 0.00 0.66 0.00 0.00 46.19 44.45 2kma s LEU 51 CO 0.04 -0.31 1.17 -0.44 -1.89 0.00 0.00 176.35 174.92 2kma s SER 52 N 1.73 6.71 -0.11 3.68 0.01 -1.21 -3.12 113.70 121.38 2kma s SER 52 Ca 0.10 0.80 -0.12 0.00 1.31 0.00 0.00 55.95 58.04 2kma s SER 52 Cb -0.17 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2kma s SER 52 CO 0.11 -1.12 -0.24 -0.67 0.41 0.00 0.00 173.24 171.73 2kma n ASP 53 N 7.58 1.41 0.00 2.44 -0.08 -1.26 -4.75 116.55 121.89 2kma n ASP 53 Ca 0.13 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 2kma n ASP 53 Cb 0.48 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.30 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kma n ASP 54 N -3.92 -0.03 -4.21 1.67 2.03 -1.26 -5.04 116.55 105.80 2kma n ASP 54 Ca -0.10 0.07 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 2kma n ASP 54 Cb 0.35 0.11 -0.14 0.00 -0.72 0.00 0.00 41.12 40.73 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 2.16 0.54 1.67 2.15 -1.26 -5.02 116.67 114.91 2kma s ASP 55 Ca 0.00 -0.50 0.34 0.00 0.43 0.00 0.00 52.55 52.83 2kma s ASP 55 Cb 0.00 -0.17 1.51 0.00 -0.30 0.00 0.00 42.92 43.97 2kma s ASP 55 CO 0.00 0.11 1.84 1.55 -0.17 0.00 0.00 175.17 178.50 2kma h PRO 56 N 4.89 0.01 0.00 4.34 0.13 -1.93 0.41 132.00 139.85 2kma h PRO 56 Ca -0.41 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 2kma h PRO 56 Cb 1.17 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kma h PRO 56 CO 0.44 0.00 -0.42 0.87 -0.23 0.00 0.00 178.00 178.66 2kma h LYS 57 N 0.01 0.00 0.00 0.86 1.79 -1.97 -3.13 116.57 114.13 2kma h LYS 57 Ca 0.50 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.68 2kma h LYS 57 Cb 2.00 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.60 2kma h LYS 57 CO -0.01 0.42 -1.97 1.63 -1.08 0.00 0.00 179.45 178.44 2kma n LYS 58 N -3.66 0.66 -1.90 3.15 4.01 0.11 -4.88 118.16 115.64 2kma n LYS 58 Ca -0.01 0.14 -0.37 0.00 -0.51 0.00 0.00 58.31 57.56 2kma n LYS 58 Cb 0.51 -1.67 0.04 0.00 -0.51 0.00 0.00 35.03 33.40 2kma n LYS 58 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2kma s GLY 59 N -5.20 2.82 0.06 0.72 0.00 0.75 -4.81 107.32 101.66 2kma s GLY 59 Ca -0.07 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.80 2kma s GLY 59 CO 0.83 1.58 -0.04 -0.26 0.00 0.00 0.00 173.10 175.21 2kma s ILE 60 N -1.46 0.40 -0.09 0.90 -4.36 -1.18 -4.93 121.20 110.48 2kma s ILE 60 Ca 0.76 -1.76 -0.10 0.00 -0.26 0.00 0.00 60.65 59.29 2kma s ILE 60 Cb -0.35 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 2kma s ILE 60 CO 0.39 -0.89 0.24 0.26 0.24 0.00 0.00 174.94 175.17 2kma s TRP 61 N -3.53 3.62 -0.43 1.37 0.52 -1.26 -0.74 118.94 118.49 2kma s TRP 61 Ca 0.06 0.67 -0.17 0.00 0.02 0.00 0.00 56.10 56.68 2kma s TRP 61 Cb 0.05 -2.10 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2kma s TRP 61 CO -0.07 0.64 0.43 -0.51 0.02 0.00 0.00 176.95 177.45 2kma s LEU 62 N -0.83 4.95 0.52 2.99 1.43 0.16 -4.95 118.68 122.96 2kma s LEU 62 Ca 0.17 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2kma s LEU 62 Cb -0.13 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2kma s LEU 62 CO 0.07 -0.58 0.83 -1.83 0.23 0.00 0.00 176.35 175.06 2kma s GLU 63 N 2.07 3.40 0.00 1.70 1.03 -1.26 -4.13 118.70 121.50 2kma s GLU 63 Ca 0.11 0.19 0.18 0.00 0.03 0.00 0.00 54.97 55.48 2kma s GLU 63 Cb -0.18 -2.33 1.07 0.00 -0.80 0.00 0.00 34.13 31.89 2kma s GLU 63 CO 0.13 -0.35 1.52 0.00 -1.33 0.00 0.00 175.26 175.22 2kma n ALA 64 N -2.38 2.33 -0.18 -0.84 0.00 -1.26 -2.98 120.51 115.20 2kma n ALA 64 Ca 0.02 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.43 2kma n ALA 64 Cb 0.56 -1.29 0.29 0.00 0.00 0.00 0.00 19.45 19.01 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 0.39 2.20 3.39 0.00 0.00 -1.26 -4.72 105.19 105.20 2kma n GLY 65 Ca 0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.73 1.17 0.48 1.61 0.00 -1.16 -5.15 119.74 114.96 2kma s LYS 66 Ca 0.42 -0.45 -0.04 0.00 0.00 0.00 0.00 55.97 55.90 2kma s LYS 66 Cb 0.26 0.53 -0.02 0.00 0.00 0.00 0.00 37.83 38.60 2kma s LYS 66 CO 0.21 -0.48 0.76 0.00 0.00 0.00 0.00 175.35 175.85 2kma s ALA 67 N -3.39 3.46 -0.00 0.59 0.00 -1.26 -3.80 121.76 117.36 2kma s ALA 67 Ca -0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 2kma s ALA 67 Cb -0.00 -2.48 -0.16 0.00 0.00 0.00 0.00 23.12 20.48 2kma s ALA 67 CO -0.09 -0.39 1.14 -0.07 0.00 0.00 0.00 175.76 176.34 2kma h LEU 68 N 0.24 -0.35 -0.95 0.00 3.38 -1.90 -3.11 115.31 112.61 2kma h LEU 68 Ca -0.47 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2kma h LEU 68 Cb 1.22 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2kma h LEU 68 CO 0.61 0.05 0.00 -0.67 0.09 0.00 0.00 178.44 178.52 2kma n ASP 69 N -5.11 0.56 -0.21 -0.43 2.03 -1.23 -1.29 116.55 110.86 2kma n ASP 69 Ca -0.09 0.69 0.05 0.00 0.52 0.00 0.00 54.79 55.96 2kma n ASP 69 Cb 0.27 -0.79 0.31 0.00 -0.72 0.00 0.00 41.12 40.19 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2kma h TYR 70 N 0.00 0.85 -0.48 -0.67 3.20 -1.80 -3.42 116.97 114.66 2kma h TYR 70 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2kma h TYR 70 Cb 0.18 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2kma h TYR 70 CO 0.00 0.46 0.00 0.66 -1.64 0.00 0.00 178.16 177.64 2kma n TYR 71 N -4.48 0.00 -0.44 -3.82 4.01 -0.41 -4.95 117.16 107.08 2kma n TYR 71 Ca 0.11 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.86 2kma n TYR 71 Cb 0.20 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.50 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 3.51 -3.37 -0.72 2.81 -1.26 -4.96 117.12 113.13 2kma n MET 72 Ca 0.00 -2.29 -0.34 0.00 -1.81 0.00 0.00 57.70 53.26 2kma n MET 72 Cb 0.00 -2.03 -0.06 0.00 -0.71 0.00 0.00 33.22 30.42 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 -2.10 4.28 0.00 4.03 1.43 -1.26 -5.02 118.68 120.04 2kma s LEU 73 Ca 0.40 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2kma s LEU 73 Cb 0.31 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 43.11 2kma s LEU 73 CO 0.11 0.04 0.00 -2.11 0.23 0.00 0.00 176.35 174.62 2kma n ARG 74 N 0.47 0.00 -1.87 1.70 -4.01 -1.26 -4.58 116.66 107.11 2kma n ARG 74 Ca -0.03 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.35 2kma n ARG 74 Cb 0.52 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.91 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 2.00 5.70 0.00 2.89 0.02 -1.26 -2.48 114.94 121.81 2kma s ASN 75 Ca 0.00 1.44 0.00 0.00 -1.02 0.00 0.00 52.86 53.28 2kma s ASN 75 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.75 2kma s ASN 75 CO 0.00 -1.84 0.00 0.61 0.02 0.00 0.00 177.10 175.89 2kma n GLY 76 N 5.55 1.48 3.73 0.66 0.00 -0.13 -4.89 105.19 111.59 2kma n GLY 76 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2kma n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kma s ASP 77 N -1.58 7.50 -0.09 1.61 1.01 -1.03 -4.81 116.67 119.28 2kma s ASP 77 Ca 0.00 1.79 -0.22 0.00 0.71 0.00 0.00 52.55 54.82 2kma s ASP 77 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2kma s ASP 77 CO 0.00 -0.01 0.66 -0.89 0.21 0.00 0.00 175.17 175.13 2kma s THR 78 N -0.23 5.07 -0.16 -1.27 2.01 -1.26 -1.46 115.64 118.34 2kma s THR 78 Ca 0.45 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.79 2kma s THR 78 Cb -0.24 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.31 2kma s THR 78 CO 0.30 0.25 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.07 2kma s MET 79 N 0.86 1.77 -0.07 4.92 1.75 0.19 -3.36 119.30 125.36 2kma s MET 79 Ca 0.35 -0.57 -0.30 0.00 -1.25 0.00 0.00 55.69 53.92 2kma s MET 79 Cb -0.17 -2.07 -0.02 0.00 2.84 0.00 0.00 34.83 35.41 2kma s MET 79 CO 0.16 -0.37 1.03 -2.00 -0.65 0.00 0.00 175.02 173.20 2kma s GLU 80 N 1.55 4.44 -0.49 4.11 2.12 0.98 -1.86 118.70 129.55 2kma s GLU 80 Ca 0.02 1.45 -0.16 0.00 0.36 0.00 0.00 54.97 56.63 2kma s GLU 80 Cb -0.15 -3.52 0.08 0.00 0.26 0.00 0.00 34.13 30.81 2kma s GLU 80 CO -0.08 -0.28 0.45 -0.47 -0.54 0.00 0.00 175.26 174.34 2kma s TYR 81 N 1.80 3.21 0.29 5.30 5.04 0.74 -0.28 117.35 133.45 2kma s TYR 81 Ca 0.50 -0.94 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2kma s TYR 81 Cb -0.20 -3.35 -0.05 0.00 0.35 0.00 0.00 41.96 38.71 2kma s TYR 81 CO 0.21 -0.88 0.11 -0.98 -1.34 0.00 0.00 175.55 172.66 2kma s ARG 82 N 1.79 1.53 0.07 4.97 1.70 -1.10 -4.36 118.95 123.55 2kma s ARG 82 Ca 0.05 -1.85 -0.31 0.00 -0.47 0.00 0.00 55.73 53.16 2kma s ARG 82 Cb -0.25 -0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 33.70 2kma s ARG 82 CO 0.07 -0.33 1.73 0.21 -1.08 0.00 0.00 175.30 175.90 2kma s LYS 83 N -3.94 4.17 0.34 3.89 2.20 -1.26 -1.19 119.74 123.95 2kma s LYS 83 Ca 0.36 2.42 0.11 0.00 -0.36 0.00 0.00 55.97 58.50 2kma s LYS 83 Cb 0.07 -3.66 0.92 0.00 -1.51 0.00 0.00 37.83 33.64 2kma s LYS 83 CO 0.15 -0.79 1.76 0.87 -0.36 0.00 0.00 175.35 176.97 2kma h LYS 84 N 8.65 0.55 -6.10 4.03 1.79 0.02 -3.40 116.57 122.11 2kma h LYS 84 Ca -0.44 -0.03 -0.59 0.00 -2.18 0.00 0.00 60.65 57.40 2kma h LYS 84 Cb 1.21 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 31.69 2kma h LYS 84 CO 0.94 0.37 -0.24 -0.65 -1.08 0.00 0.00 179.45 178.78 2kma s GLN 85 N -5.71 3.77 0.20 3.15 -0.21 -1.25 -0.25 119.66 119.36 2kma s GLN 85 Ca -0.10 0.19 0.11 0.00 0.02 0.00 0.00 55.36 55.59 2kma s GLN 85 Cb 0.26 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 2kma s GLN 85 CO 0.80 0.57 -0.23 -0.98 -2.12 0.00 0.00 175.29 173.33 2kma s ARG 86 N -1.85 1.57 -0.16 2.91 1.04 -0.02 -4.78 118.95 117.65 2kma s ARG 86 Ca 0.32 -1.53 -0.29 0.00 -1.04 0.00 0.00 55.73 53.19 2kma s ARG 86 Cb -0.14 -1.86 -0.05 0.00 -2.04 0.00 0.00 34.95 30.86 2kma s ARG 86 CO 0.18 0.39 1.87 -1.25 -0.04 0.00 0.00 175.30 176.45 2kma s PRO 87 N -2.76 3.69 -0.37 3.89 0.04 -1.26 -2.77 135.00 135.45 2kma s PRO 87 Ca 0.22 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.11 2kma s PRO 87 Cb -0.08 -4.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.30 2kma s PRO 87 CO 0.11 -1.45 0.27 -0.51 0.04 0.00 0.00 177.00 175.46 2kma s LEU 88 N 5.91 4.76 -0.27 -3.56 2.01 0.02 -4.78 118.68 122.77 2kma s LEU 88 Ca 0.84 -0.61 -0.17 0.00 0.01 0.00 0.00 54.13 54.19 2kma s LEU 88 Cb -0.31 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 43.70 2kma s LEU 88 CO 0.34 -0.33 0.49 -0.54 1.01 0.00 0.00 176.35 177.32 2kma s LYS 89 N 1.72 4.02 -0.06 1.70 3.01 -1.26 -0.78 119.74 128.08 2kma s LYS 89 Ca 0.06 0.23 0.04 0.00 -1.01 0.00 0.00 55.97 55.28 2kma s LYS 89 Cb -0.18 -3.67 0.00 0.00 -1.01 0.00 0.00 37.83 32.98 2kma s LYS 89 CO 0.10 -0.36 -0.17 0.42 0.51 0.00 0.00 175.35 175.85 2kma s ILE 90 N 2.28 1.49 -0.23 2.17 -1.09 0.10 0.24 121.20 126.16 2kma s ILE 90 Ca 0.20 -0.72 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 2kma s ILE 90 Cb -0.16 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.39 2kma s ILE 90 CO 0.10 0.43 0.08 -0.60 -1.23 0.00 0.00 174.94 173.71 2kma s ARG 91 N 0.31 3.76 0.75 2.79 3.52 -0.69 -0.26 118.95 129.13 2kma s ARG 91 Ca -0.11 -0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 54.97 2kma s ARG 91 Cb -0.14 -3.32 0.07 0.00 -1.56 0.00 0.00 34.95 30.00 2kma s ARG 91 CO 0.04 -0.06 1.08 -1.64 -0.81 0.00 0.00 175.30 173.91 2kma s MET 92 N 1.29 2.06 0.45 5.12 -1.94 0.20 -3.27 119.30 123.22 2kma s MET 92 Ca 0.05 -0.13 0.13 0.00 -1.71 0.00 0.00 55.69 54.02 2kma s MET 92 Cb -0.15 -2.08 1.01 0.00 2.01 0.00 0.00 34.83 35.63 2kma s MET 92 CO 0.04 -1.41 2.03 -0.07 -0.01 0.00 0.00 175.02 175.60 2kma h LEU 93 N -0.80 0.11 -1.88 -0.03 -0.00 -1.86 0.35 115.31 111.20 2kma h LEU 93 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 2kma h LEU 93 Cb 1.32 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2kma h LEU 93 CO 0.62 0.19 0.00 -0.78 -0.00 0.00 0.00 178.44 178.47 2kma h ASP 94 N 0.12 0.00 0.00 -0.43 3.58 -2.00 -3.45 116.42 114.24 2kma h ASP 94 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kma h ASP 94 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kma h ASP 94 CO 0.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2kma n GLY 95 N -0.76 0.93 3.73 -0.78 0.00 0.12 -5.07 105.19 103.36 2kma n GLY 95 Ca -0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 4.86 -0.05 2.61 2.01 -1.22 -4.82 115.64 117.03 2kma s THR 96 Ca 0.00 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2kma s THR 96 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2kma s THR 96 CO 0.00 0.57 -0.05 0.54 -0.69 0.00 0.00 174.62 174.99 2kma s VAL 97 N -0.54 3.86 0.07 3.82 0.11 -1.26 0.61 120.40 127.07 2kma s VAL 97 Ca 0.11 -0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 2kma s VAL 97 Cb -0.12 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2kma s VAL 97 CO 0.02 0.55 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.74 2kma s LYS 98 N -0.98 0.68 -0.12 1.54 -2.85 0.64 -4.96 119.74 113.68 2kma s LYS 98 Ca 0.14 -1.27 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 2kma s LYS 98 Cb -0.11 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 2kma s LYS 98 CO 0.03 -0.14 -0.12 0.99 0.10 0.00 0.00 175.35 176.22 2kma s THR 99 N -3.94 3.20 0.03 3.79 2.01 -1.26 0.01 115.64 119.49 2kma s THR 99 Ca 0.10 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.52 2kma s THR 99 Cb 0.08 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2kma s THR 99 CO -0.08 0.53 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.77 2kma s ILE 100 N 0.12 0.83 -0.38 1.82 -1.16 0.04 -4.96 121.20 117.49 2kma s ILE 100 Ca -0.05 -0.91 -0.20 0.00 -0.51 0.00 0.00 60.65 58.97 2kma s ILE 100 Cb -0.15 -0.78 0.01 0.00 0.61 0.00 0.00 42.46 42.15 2kma s ILE 100 CO 0.04 -0.11 0.60 -0.04 -2.81 0.00 0.00 174.94 172.62 2kma s MET 101 N -1.14 3.52 -0.04 3.50 -1.94 -1.26 -0.80 119.30 121.14 2kma s MET 101 Ca -0.02 -0.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.86 2kma s MET 101 Cb -0.08 -3.86 -0.01 0.00 2.01 0.00 0.00 34.83 32.89 2kma s MET 101 CO 0.01 -0.80 -0.23 0.08 -0.01 0.00 0.00 175.02 174.07 2kma s VAL 102 N 2.64 1.84 0.22 -6.03 1.01 -1.12 -4.85 120.40 114.11 2kma s VAL 102 Ca 0.22 -0.97 -0.32 0.00 0.00 0.00 0.00 61.98 60.91 2kma s VAL 102 Cb -0.15 -1.55 -0.14 0.00 0.00 0.00 0.00 36.38 34.55 2kma s VAL 102 CO 0.16 0.52 1.34 0.47 0.00 0.00 0.00 175.10 177.59 2kma n ASP 103 N 2.78 2.36 0.04 3.32 9.92 -1.26 -0.84 116.55 132.87 2kma n ASP 103 Ca -0.17 1.14 0.13 0.00 -0.53 0.00 0.00 54.79 55.36 2kma n ASP 103 Cb 0.52 -1.37 0.31 0.00 -0.64 0.00 0.00 41.12 39.95 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 2.15 0.56 -0.50 -2.24 2.03 0.65 -3.93 116.55 115.27 2kma n ASP 104 Ca 0.13 0.19 0.01 0.00 0.52 0.00 0.00 54.79 55.64 2kma n ASP 104 Cb 0.29 -0.12 0.06 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.89 1.26 -2.91 1.67 3.41 -1.26 -4.55 113.62 109.35 2kma n SER 105 Ca 0.05 -2.08 -0.14 0.00 -0.26 0.00 0.00 58.87 56.43 2kma n SER 105 Cb 0.40 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.01 0.65 -2.09 4.33 -0.00 -1.25 -5.07 118.16 114.71 2kma n LYS 106 Ca 0.04 -2.69 -0.28 0.00 -0.00 0.00 0.00 58.31 55.38 2kma n LYS 106 Cb 0.27 2.56 0.17 0.00 -0.00 0.00 0.00 35.03 38.03 2kma n LYS 106 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2kma s THR 107 N -2.83 2.03 0.07 0.58 -4.23 -1.26 -4.64 115.64 105.37 2kma s THR 107 Ca 0.28 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 2kma s THR 107 Cb -0.01 -2.88 -0.24 0.00 1.34 0.00 0.00 72.50 70.71 2kma s THR 107 CO 0.20 0.00 1.12 0.58 -0.54 0.00 0.00 174.62 175.98 2kma h VAL 108 N -1.38 1.49 -0.36 2.29 2.07 -1.82 -2.70 116.25 115.85 2kma h VAL 108 Ca -0.42 -3.17 0.07 0.00 0.82 0.00 0.00 66.70 64.00 2kma h VAL 108 Cb 1.24 2.82 -0.07 0.00 -1.52 0.00 0.00 31.29 33.76 2kma h VAL 108 CO 0.38 0.88 -0.09 0.74 0.02 0.00 0.00 177.57 179.51 2kma h THR 109 N 0.03 0.64 -0.55 2.57 2.02 -1.93 0.60 112.91 116.28 2kma h THR 109 Ca -0.10 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 2kma h THR 109 Cb 1.89 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 2kma h THR 109 CO 0.15 0.00 0.04 -0.78 0.37 0.00 0.00 175.52 175.30 2kma h ASP 110 N 0.00 0.87 0.08 4.18 1.82 -1.89 -1.84 116.42 119.65 2kma h ASP 110 Ca 0.17 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2kma h ASP 110 Cb 0.26 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2kma h ASP 110 CO -0.37 0.91 -0.06 -0.03 -1.61 0.00 0.00 179.24 178.08 2kma h MET 111 N 0.85 -0.14 -0.46 0.28 4.05 -1.00 -2.54 114.93 115.96 2kma h MET 111 Ca 0.17 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.53 2kma h MET 111 Cb 0.45 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2kma h MET 111 CO 0.02 -0.09 0.03 1.25 0.23 0.00 0.00 176.91 178.35 2kma h LEU 112 N -0.15 0.70 -1.26 3.39 5.85 0.39 0.99 115.31 125.23 2kma h LEU 112 Ca -0.00 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2kma h LEU 112 Cb 0.13 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2kma h LEU 112 CO -0.01 0.75 0.55 -0.03 -0.34 0.00 0.00 178.44 179.36 2kma h MET 113 N 0.70 0.80 0.07 1.25 4.05 -1.19 0.17 114.93 120.78 2kma h MET 113 Ca 0.14 -0.05 -0.25 0.00 -0.28 0.00 0.00 59.70 59.27 2kma h MET 113 Cb 0.38 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2kma h MET 113 CO 0.01 0.53 -1.09 1.15 0.23 0.00 0.00 176.91 177.74 2kma h THR 114 N 0.83 1.47 0.01 -0.77 2.02 -0.63 -3.11 112.91 112.73 2kma h THR 114 Ca 0.39 -2.81 -0.00 0.00 0.77 0.00 0.00 66.41 64.76 2kma h THR 114 Cb 0.41 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2kma h THR 114 CO -0.16 0.82 -0.01 0.40 0.37 0.00 0.00 175.52 176.95 2kma h ILE 115 N 0.13 1.53 0.00 3.11 2.04 0.01 -3.21 117.51 121.12 2kma h ILE 115 Ca -0.10 -1.89 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 2kma h ILE 115 Cb 1.78 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 40.62 2kma h ILE 115 CO 0.18 0.47 -0.23 0.00 0.00 0.00 0.00 178.15 178.57 2kma h ALA 117 N 1.77 1.29 -0.41 0.00 0.00 -1.61 0.59 119.26 120.88 2kma h ALA 117 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2kma h ALA 117 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kma h ALA 117 CO 0.03 0.24 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 2kma h ARG 118 N 0.00 0.73 0.19 0.00 2.47 -1.15 -3.07 114.38 113.55 2kma h ARG 118 Ca -0.00 -0.24 -0.30 0.00 -1.26 0.00 0.00 59.98 58.18 2kma h ARG 118 Cb 0.47 -0.06 0.03 0.00 -1.65 0.00 0.00 29.97 28.76 2kma h ARG 118 CO 0.03 0.81 -1.31 0.82 0.56 0.00 0.00 179.97 180.88 2kma h ILE 119 N 0.66 1.31 0.00 2.04 1.08 -1.45 -3.48 117.51 117.67 2kma h ILE 119 Ca 0.11 -2.58 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 2kma h ILE 119 Cb 0.57 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 2kma h ILE 119 CO 0.04 0.77 0.00 0.61 -0.69 0.00 0.00 178.15 178.88 2kma n GLY 120 N 1.57 1.51 3.66 5.37 0.00 -0.31 -5.11 105.19 111.88 2kma n GLY 120 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.66 4.93 -0.02 -0.61 1.01 0.05 -4.95 121.20 119.95 2kma s ILE 121 Ca 0.00 1.44 -0.20 0.00 0.00 0.00 0.00 60.65 61.90 2kma s ILE 121 Cb 0.00 -4.06 -0.33 0.00 0.01 0.00 0.00 42.46 38.08 2kma s ILE 121 CO 0.00 0.04 0.93 0.74 0.00 0.00 0.00 174.94 176.66 2kma h THR 122 N 5.23 1.42 -3.51 2.92 2.02 -1.97 -3.34 112.91 115.67 2kma h THR 122 Ca -0.29 -2.60 -0.70 0.00 0.77 0.00 0.00 66.41 63.59 2kma h THR 122 Cb 1.13 3.14 -0.19 0.00 -1.74 0.00 0.00 68.15 70.49 2kma h THR 122 CO 0.82 0.75 -0.27 0.54 0.37 0.00 0.00 175.52 177.73 2kma s ASN 123 N -7.22 6.17 0.00 4.18 4.22 -1.26 -4.91 114.94 116.12 2kma s ASN 123 Ca -0.12 -0.77 0.16 0.00 -2.14 0.00 0.00 52.86 49.99 2kma s ASN 123 Cb 0.02 -2.21 -0.15 0.00 1.28 0.00 0.00 41.25 40.19 2kma s ASN 123 CO 0.88 -0.56 0.70 0.00 -2.04 0.00 0.00 177.10 176.08 2kma n HIS 124 N 5.48 0.00 1.30 1.54 1.44 -1.26 -4.27 115.22 119.45 2kma n HIS 124 Ca -0.08 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.72 2kma n HIS 124 Cb 0.47 0.00 0.35 0.00 0.12 0.00 0.00 29.99 30.93 2kma n HIS 124 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kma n ASP 125 N -1.22 1.42 -0.21 4.39 8.00 -1.26 -2.79 116.55 124.87 2kma n ASP 125 Ca 0.03 -1.72 0.14 0.00 0.71 0.00 0.00 54.79 53.95 2kma n ASP 125 Cb 0.26 -0.11 0.60 0.00 -0.02 0.00 0.00 41.12 41.85 2kma n ASP 125 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kma n GLU 126 N 0.17 0.99 -4.45 -1.24 -0.58 -1.26 -4.82 120.64 109.45 2kma n GLU 126 Ca 0.15 -0.42 -0.29 0.00 -0.42 0.00 0.00 57.16 56.17 2kma n GLU 126 Cb 0.28 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kma s TYR 127 N -2.30 2.35 0.35 -0.32 2.02 -1.12 -0.39 117.35 117.94 2kma s TYR 127 Ca 0.33 -0.36 0.08 0.00 -0.37 0.00 0.00 57.07 56.75 2kma s TYR 127 Cb 0.20 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 2kma s TYR 127 CO 0.44 0.32 0.13 -1.12 -1.57 0.00 0.00 175.55 173.75 2kma s SER 128 N -1.95 4.58 -0.05 2.29 0.01 0.18 -4.82 113.70 113.93 2kma s SER 128 Ca 0.14 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 2kma s SER 128 Cb -0.10 -0.66 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 2kma s SER 128 CO 0.06 -0.33 0.08 -0.22 0.41 0.00 0.00 173.24 173.24 2kma s LEU 129 N -3.84 3.96 -0.10 2.44 1.98 -1.24 -0.60 118.68 121.27 2kma s LEU 129 Ca 0.38 0.23 -0.03 0.00 -2.89 0.00 0.00 54.13 51.82 2kma s LEU 129 Cb -0.01 -2.14 0.04 0.00 0.66 0.00 0.00 46.19 44.74 2kma s LEU 129 CO 0.22 0.33 0.07 0.54 -1.89 0.00 0.00 176.35 175.62 2kma s VAL 130 N -1.09 -0.04 -0.49 1.68 0.11 0.29 0.14 120.40 121.00 2kma s VAL 130 Ca 0.19 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 2kma s VAL 130 Cb -0.12 -0.39 0.10 0.00 -1.53 0.00 0.00 36.38 34.44 2kma s VAL 130 CO 0.09 -0.02 0.42 -0.13 -3.33 0.00 0.00 175.10 172.13 2kma s ARG 131 N 2.13 2.90 -0.46 1.54 0.52 0.15 0.17 118.95 125.90 2kma s ARG 131 Ca 0.04 -1.53 -0.27 0.00 -0.52 0.00 0.00 55.73 53.45 2kma s ARG 131 Cb -0.14 -4.14 0.03 0.00 0.52 0.00 0.00 34.95 31.22 2kma s ARG 131 CO -0.06 -1.15 1.00 -1.21 0.02 0.00 0.00 175.30 173.91 2kma s GLU 132 N 1.58 3.63 0.41 3.54 2.02 -0.95 -3.36 118.70 125.58 2kma s GLU 132 Ca 0.04 0.34 0.05 0.00 0.02 0.00 0.00 54.97 55.42 2kma s GLU 132 Cb -0.26 -3.91 0.05 0.00 0.10 0.00 0.00 34.13 30.11 2kma s GLU 132 CO 0.04 -1.25 0.45 1.28 0.02 0.00 0.00 175.26 175.80 2kma n LEU 133 N 7.36 0.00 -0.82 1.80 4.77 -1.23 -3.56 117.00 125.33 2kma n LEU 133 Ca 0.08 -1.97 0.03 0.00 -0.03 0.00 0.00 56.01 54.13 2kma n LEU 133 Cb 0.49 -0.17 0.21 0.00 -2.33 0.00 0.00 43.42 41.61 2kma n LEU 133 CO 0.66 -0.58 0.63 1.15 -1.33 0.00 0.00 177.39 177.93 2kma n MET 134 N -1.69 2.02 -1.72 3.23 0.00 -1.26 -4.84 117.12 112.86 2kma n MET 134 Ca 0.05 -2.99 -0.42 0.00 0.00 0.00 0.00 57.70 54.34 2kma n MET 134 Cb 0.45 -1.74 -0.01 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 -1.01 2.27 0.07 3.17 1.02 -1.26 -4.90 120.64 120.00 2kma n GLU 135 Ca 0.25 0.80 0.02 0.00 -0.02 0.00 0.00 57.16 58.21 2kma n GLU 135 Cb 0.88 -2.43 -0.04 0.00 -0.02 0.00 0.00 31.44 29.84 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kma h GLU 136 N 2.86 0.00 0.00 3.49 4.11 -1.99 -3.35 114.58 119.69 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 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kma h GLU 136 CO 0.65 0.31 0.00 1.63 0.07 0.00 0.00 179.01 181.67 2kma n LYS 137 N -2.96 0.00 0.16 1.06 5.02 -1.26 -4.77 118.16 115.41 2kma n LYS 137 Ca -0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 2kma n LYS 137 Cb 0.77 -0.30 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 2kma n LYS 137 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kma h LYS 138 N 0.00 -0.45 -5.19 1.97 1.57 -1.97 -3.49 116.57 109.01 2kma h LYS 138 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2kma h LYS 138 Cb 0.00 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2kma h LYS 138 CO 0.00 -0.30 -0.60 -3.47 -0.57 0.00 0.00 179.45 174.51 2kma n ASP 169 N -4.63 -7.85 -4.21 0.86 2.03 -1.26 -5.04 116.55 96.46 2kma n ASP 169 Ca -0.06 0.74 -0.12 0.00 0.52 0.00 0.00 54.79 55.87 2kma n ASP 169 Cb 0.18 -5.29 -0.10 0.00 -0.72 0.00 0.00 41.12 35.19 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 -2.34 1.11 0.39 -0.67 0.41 -1.26 -5.01 118.70 111.32 2kma s GLU 170 Ca 0.19 -1.56 0.22 0.00 -0.41 0.00 0.00 54.97 53.41 2kma s GLU 170 Cb -0.05 0.06 0.27 0.00 -1.78 0.00 0.00 34.13 32.63 2kma s GLU 170 CO 0.76 -0.27 1.52 -0.07 -0.49 0.00 0.00 175.26 176.71 2kma h LEU 171 N 2.69 0.00 -3.06 1.80 3.38 -1.97 -3.26 115.31 114.90 2kma h LEU 171 Ca -0.36 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.36 2kma h LEU 171 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kma h LEU 171 CO 0.59 0.05 -0.72 0.59 0.09 0.00 0.00 178.44 179.03 2kma n ASN 172 N -3.06 -6.38 -4.52 -0.43 3.02 -1.21 0.28 115.26 102.96 2kma n ASN 172 Ca 0.03 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.91 2kma n ASN 172 Cb 0.55 -3.35 -0.04 0.00 -0.61 0.00 0.00 39.78 36.34 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 2.66 -0.04 3.10 0.52 -1.26 0.29 118.94 121.65 2kma s TRP 173 Ca 0.14 -0.08 -0.30 0.00 0.02 0.00 0.00 56.10 55.88 2kma s TRP 173 Cb -0.02 -4.27 -0.05 0.00 -1.15 0.00 0.00 33.47 27.97 2kma s TRP 173 CO 0.83 -1.57 1.45 -0.51 0.02 0.00 0.00 176.95 177.17 2kma s LEU 174 N 4.40 4.30 0.20 2.99 1.43 0.37 -4.86 118.68 127.50 2kma s LEU 174 Ca 0.31 2.09 0.20 0.00 -1.03 0.00 0.00 54.13 55.69 2kma s LEU 174 Cb -0.12 -3.55 0.88 0.00 0.03 0.00 0.00 46.19 43.42 2kma s LEU 174 CO 0.17 -0.78 1.60 -0.90 0.23 0.00 0.00 176.35 176.67 2kma n ASP 175 N 6.03 0.47 0.00 2.29 5.68 -1.26 -3.67 116.55 126.09 2kma n ASP 175 Ca 0.14 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 55.08 2kma n ASP 175 Cb 0.43 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.68 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2kma n HIS 176 N -2.05 0.00 0.00 2.11 8.25 -1.26 -4.84 115.22 117.43 2kma n HIS 176 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2kma n HIS 176 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 -2.88 0.00 3.72 -1.41 0.00 -1.26 -3.23 105.19 100.13 2kma n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kma n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kma s ARG 178 N -1.88 4.54 1.01 1.61 3.52 -1.26 -4.83 118.95 121.67 2kma s ARG 178 Ca 0.00 1.57 -0.12 0.00 -0.13 0.00 0.00 55.73 57.05 2kma s ARG 178 Cb 0.00 -3.39 0.20 0.00 -1.56 0.00 0.00 34.95 30.20 2kma s ARG 178 CO 0.00 -0.06 1.08 -0.08 -0.81 0.00 0.00 175.30 175.43 2kma s THR 179 N 0.74 2.23 0.02 4.11 -1.32 -1.26 -4.67 115.64 115.49 2kma s THR 179 Ca 0.53 0.07 -0.18 0.00 -1.21 0.00 0.00 61.69 60.90 2kma s THR 179 Cb -0.25 -2.25 -0.26 0.00 -1.51 0.00 0.00 72.50 68.22 2kma s THR 179 CO 0.29 -0.10 1.07 -0.07 -2.21 0.00 0.00 174.62 173.61 2kma h LEU 180 N -2.09 0.67 -1.55 9.08 3.38 -1.82 -2.90 115.31 120.07 2kma h LEU 180 Ca -0.53 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 56.64 2kma h LEU 180 Cb 1.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2kma h LEU 180 CO 0.49 1.40 0.29 0.03 0.09 0.00 0.00 178.44 180.75 2kma h ARG 181 N 0.02 0.59 0.00 1.13 3.08 -1.88 -1.77 114.38 115.55 2kma h ARG 181 Ca -0.13 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 2kma h ARG 181 Cb 1.59 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.51 2kma h ARG 181 CO 0.17 0.39 -0.15 1.49 -1.07 0.00 0.00 179.97 180.80 2kma h GLU 182 N 0.61 0.00 0.00 0.04 4.57 -1.82 -1.88 114.58 116.09 2kma h GLU 182 Ca 0.16 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2kma h GLU 182 Cb -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 2kma h GLU 182 CO -0.03 0.15 -0.47 1.96 -1.18 0.00 0.00 179.01 179.44 2kma h GLN 183 N 0.00 0.00 -0.41 1.92 4.20 -1.13 -3.47 115.11 116.22 2kma h GLN 183 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2kma h GLN 183 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 2kma h GLN 183 CO 0.02 0.47 -0.04 0.41 -0.67 0.00 0.00 178.83 179.02 2kma n GLY 184 N 0.25 0.38 3.96 3.46 0.00 -0.71 -5.06 105.19 107.48 2kma n GLY 184 Ca -0.01 -0.79 -0.22 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 -2.23 3.56 0.48 1.61 -7.23 -1.24 -5.04 120.40 110.31 2kma s VAL 185 Ca 0.01 -0.54 0.07 0.00 -1.81 0.00 0.00 61.98 59.72 2kma s VAL 185 Cb -0.00 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.63 2kma s VAL 185 CO 0.01 -0.23 0.46 -1.61 -0.31 0.00 0.00 175.10 173.41 2kma s GLU 186 N -4.63 2.42 0.11 4.82 0.41 -1.26 -4.89 118.70 115.68 2kma s GLU 186 Ca 0.51 -1.69 0.23 0.00 -0.41 0.00 0.00 54.97 53.61 2kma s GLU 186 Cb -0.10 -2.35 -0.02 0.00 -1.78 0.00 0.00 34.13 29.89 2kma s GLU 186 CO 0.38 -0.42 0.96 0.39 -0.49 0.00 0.00 175.26 176.08 2kma n GLU 187 N -1.73 0.49 0.00 1.61 1.02 -1.26 -3.86 120.64 116.91 2kma n GLU 187 Ca 0.04 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.34 2kma n GLU 187 Cb 0.62 -1.69 0.51 0.00 -0.02 0.00 0.00 31.44 30.87 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kma n HIS 188 N -2.33 0.00 -2.52 -0.32 1.44 -1.26 -4.64 115.22 105.59 2kma n HIS 188 Ca 0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 2kma n HIS 188 Cb 0.51 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 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 -2.70 4.12 -0.06 -1.40 0.41 -1.25 -5.02 118.70 112.80 2kma s GLU 189 Ca 0.22 1.52 -0.24 0.00 -0.41 0.00 0.00 54.97 56.06 2kma s GLU 189 Cb 0.19 -2.51 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 2kma s GLU 189 CO 0.54 -0.19 0.72 0.99 -0.49 0.00 0.00 175.26 176.83 2kma s THR 190 N -1.67 5.04 0.10 3.63 2.01 -1.23 -4.37 115.64 119.14 2kma s THR 190 Ca 0.59 1.48 0.09 0.00 0.31 0.00 0.00 61.69 64.16 2kma s THR 190 Cb -0.22 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 2kma s THR 190 CO 0.28 0.24 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.48 2kma s LEU 191 N 0.82 2.53 0.15 4.42 2.01 0.14 -2.24 118.68 126.51 2kma s LEU 191 Ca 0.38 -0.59 0.08 0.00 0.01 0.00 0.00 54.13 54.02 2kma s LEU 191 Cb -0.18 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.56 2kma s LEU 191 CO 0.19 0.20 -0.18 -0.76 1.01 0.00 0.00 176.35 176.81 2kma s LEU 192 N -1.90 2.41 -0.05 1.79 1.43 0.13 -1.71 118.68 120.77 2kma s LEU 192 Ca 0.16 -0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2kma s LEU 192 Cb -0.10 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 2kma s LEU 192 CO 0.07 -0.03 0.11 -1.48 0.23 0.00 0.00 176.35 175.25 2kma s LEU 193 N -2.50 4.09 -0.11 1.79 0.05 -1.20 -0.55 118.68 120.25 2kma s LEU 193 Ca 0.13 0.28 0.02 0.00 0.05 0.00 0.00 54.13 54.62 2kma s LEU 193 Cb -0.06 -2.21 0.01 0.00 -2.05 0.00 0.00 46.19 41.87 2kma s LEU 193 CO 0.06 0.33 -0.17 -0.13 -0.55 0.00 0.00 176.35 175.88 2kma s ARG 194 N -1.44 2.41 -0.58 1.48 1.81 0.23 -4.78 118.95 118.08 2kma s ARG 194 Ca 0.20 -0.64 -0.27 0.00 -1.72 0.00 0.00 55.73 53.31 2kma s ARG 194 Cb -0.12 -1.99 -0.02 0.00 -0.45 0.00 0.00 34.95 32.37 2kma s ARG 194 CO 0.10 -0.02 1.81 0.50 -0.68 0.00 0.00 175.30 177.01 2kma s ARG 195 N 0.86 2.76 0.02 3.54 3.52 -1.26 0.48 118.95 128.86 2kma s ARG 195 Ca -0.09 0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 56.09 2kma s ARG 195 Cb -0.15 -4.35 -0.30 0.00 -1.56 0.00 0.00 34.95 28.59 2kma s ARG 195 CO -0.00 -2.58 0.93 -0.22 -0.81 0.00 0.00 175.30 172.62 2kma h LYS 196 N 14.37 0.35 -6.18 5.12 3.64 -1.04 -3.44 116.57 129.38 2kma h LYS 196 Ca -0.27 -0.59 -0.68 0.00 -1.27 0.00 0.00 60.65 57.84 2kma h LYS 196 Cb 1.16 0.22 -0.19 0.00 -0.41 0.00 0.00 32.23 33.00 2kma h LYS 196 CO 1.20 1.25 -0.70 -0.06 -2.27 0.00 0.00 179.45 178.87 2kma s PHE 197 N -2.62 2.91 -0.51 1.91 0.08 -0.35 -4.99 117.98 114.41 2kma s PHE 197 Ca -0.09 0.00 0.20 0.00 0.12 0.00 0.00 56.93 57.17 2kma s PHE 197 Cb 0.06 -1.69 -0.27 0.00 -0.57 0.00 0.00 43.02 40.55 2kma s PHE 197 CO 0.88 0.33 0.66 1.19 -0.10 0.00 0.00 175.22 178.18 2kma n PHE 198 N 2.14 0.00 -0.06 0.36 3.72 -1.26 -4.75 117.46 117.61 2kma n PHE 198 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2kma n PHE 198 Cb 0.53 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.82 0.00 -2.64 1.38 4.11 -1.26 -3.64 117.16 113.29 2kma n TYR 199 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.73 2kma n TYR 199 Cb 0.42 -0.68 -0.00 0.00 -0.00 0.00 0.00 39.34 39.08 2kma n TYR 199 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2kma n SER 200 N 0.00 -4.61 -1.86 9.48 7.64 -1.26 -0.29 113.62 122.72 2kma n SER 200 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2kma n SER 200 Cb 0.00 -3.85 -0.06 0.00 -1.01 0.00 0.00 64.21 59.29 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -2.01 -5.21 -0.52 6.43 2.03 -1.24 -5.35 116.55 110.68 2kma n ASP 201 Ca -0.15 0.32 0.14 0.00 0.52 0.00 0.00 54.79 55.62 2kma n ASP 201 Cb 0.62 -4.53 0.49 0.00 -0.72 0.00 0.00 41.12 36.98 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95