#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 0.00-11.19 -3.90 -0.61 2.08 -1.26 -5.00 119.36 99.49 2kma n ILE -4 Ca 0.00 1.25 -0.36 0.00 0.56 0.00 0.00 62.75 64.20 2kma n ILE -4 Cb 0.00 -7.06 -0.13 0.00 -0.75 0.00 0.00 39.64 31.71 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2kma s ASP -3 N -2.16 4.84 0.00 4.38 1.11 -1.26 -5.10 116.67 118.49 2kma s ASP -3 Ca 0.14 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 52.63 2kma s ASP -3 Cb -0.04 -1.85 0.00 0.00 1.07 0.00 0.00 42.92 42.10 2kma s ASP -3 CO 0.75 0.00 0.00 -2.65 1.18 0.00 0.00 175.17 174.45 2kma n PRO -2 N 4.66 2.42 -0.67 8.23 -0.02 -1.26 -4.76 135.00 143.59 2kma n PRO -2 Ca -0.17 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.07 2kma n PRO -2 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.97 2kma n PRO -2 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2kma n PHE -1 N -0.04 1.14 0.00 6.00 -1.74 -1.26 -4.66 117.46 116.90 2kma n PHE -1 Ca 0.00 -1.58 0.00 0.00 -0.56 0.00 0.00 57.45 55.31 2kma n PHE -1 Cb 0.00 -1.43 0.00 0.00 1.52 0.00 0.00 39.48 39.57 2kma n PHE -1 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2kma n THR 0 N 4.89 0.00 -1.60 1.97 -2.24 -1.26 -4.60 114.28 111.43 2kma n THR 0 Ca 0.37 0.36 0.03 0.00 -2.27 0.00 0.00 64.05 62.54 2kma n THR 0 Cb 0.18 -0.94 0.20 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.12 1.74 -3.50 -0.78 1.56 -1.26 -4.75 117.12 110.00 2kma n MET 1 Ca 0.00 -3.34 -0.27 0.00 -0.27 0.00 0.00 57.70 53.82 2kma n MET 1 Cb 0.00 -1.69 -0.10 0.00 2.15 0.00 0.00 33.22 33.58 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 -1.10 -0.35 -3.31 1.12 0.24 -1.26 -5.03 118.33 108.64 2kma n VAL 2 Ca 0.23 -3.89 -0.10 0.00 -2.04 0.00 0.00 64.34 58.54 2kma n VAL 2 Cb 0.76 -1.82 -0.06 0.00 -1.47 0.00 0.00 33.84 31.25 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 -0.50 -1.15 0.07 2.33 0.00 -1.26 -4.04 121.76 117.21 2kma s ALA 3 Ca 0.31 0.05 -0.34 0.00 0.00 0.00 0.00 51.96 51.99 2kma s ALA 3 Cb 0.03 -2.10 -0.18 0.00 0.00 0.00 0.00 23.12 20.87 2kma s ALA 3 CO -0.18 -1.82 0.82 1.28 0.00 0.00 0.00 175.76 175.85 2kma n LEU 4 N 5.18 -0.47 -4.33 0.00 4.77 0.11 -4.53 117.00 117.73 2kma n LEU 4 Ca 0.02 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 2kma n LEU 4 Cb 0.49 -0.89 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 2kma n LEU 4 CO -0.01 -2.23 -0.03 -0.44 -1.33 0.00 0.00 177.39 173.36 2kma s SER 5 N -0.37 5.90 -0.02 -1.43 0.01 -1.26 -1.13 113.70 115.39 2kma s SER 5 Ca 0.77 -1.44 0.03 0.00 1.31 0.00 0.00 55.95 56.62 2kma s SER 5 Cb -1.09 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.02 2kma s SER 5 CO 0.54 -0.60 -0.09 -0.76 0.41 0.00 0.00 173.24 172.74 2kma s LEU 6 N 1.53 3.05 -0.57 2.44 1.43 0.81 -1.22 118.68 126.15 2kma s LEU 6 Ca 0.04 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.77 2kma s LEU 6 Cb -0.24 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2kma s LEU 6 CO 0.04 0.31 0.85 -0.54 0.23 0.00 0.00 176.35 177.24 2kma s LYS 7 N -1.15 3.20 -0.38 1.70 1.02 -0.56 -0.76 119.74 122.81 2kma s LYS 7 Ca 0.15 -0.66 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 2kma s LYS 7 Cb -0.11 -4.13 0.01 0.00 -0.52 0.00 0.00 37.83 33.08 2kma s LYS 7 CO 0.05 -1.51 0.73 0.42 -0.92 0.00 0.00 175.35 174.11 2kma s ILE 8 N 3.54 4.77 -0.15 2.17 1.09 0.16 0.12 121.20 132.91 2kma s ILE 8 Ca 0.23 0.67 -0.05 0.00 -1.10 0.00 0.00 60.65 60.39 2kma s ILE 8 Cb -0.16 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.01 2kma s ILE 8 CO 0.14 -0.45 0.04 -0.44 -0.10 0.00 0.00 174.94 174.13 2kma s SER 9 N 1.88 5.49 -0.64 3.58 0.01 -1.08 0.42 113.70 123.37 2kma s SER 9 Ca 0.28 0.11 0.06 0.00 1.31 0.00 0.00 55.95 57.71 2kma s SER 9 Cb -0.13 -1.82 0.21 0.00 0.21 0.00 0.00 66.02 64.48 2kma s SER 9 CO 0.17 0.25 0.58 -0.38 0.41 0.00 0.00 173.24 174.28 2kma n ILE 10 N 2.99 1.52 0.00 1.44 5.41 0.25 -0.68 119.36 130.29 2kma n ILE 10 Ca -0.18 -4.83 0.00 0.00 1.00 0.00 0.00 62.75 58.75 2kma n ILE 10 Cb 0.53 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 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 1.56 1.68 0.59 7.39 0.00 -1.26 -2.93 105.19 112.21 2kma n GLY 11 Ca 0.25 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.54 2kma n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kma n ASN 12 N 4.67 2.27 -4.22 1.61 6.94 -1.26 -4.98 115.26 120.29 2kma n ASN 12 Ca 0.00 -1.63 -0.16 0.00 -0.02 0.00 0.00 54.58 52.78 2kma n ASN 12 Cb 0.00 -0.03 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.15 1.13 -0.07 3.53 0.11 -1.15 -5.15 120.40 117.65 2kma s VAL 13 Ca 0.18 -1.78 -0.03 0.00 -2.93 0.00 0.00 61.98 57.42 2kma s VAL 13 Cb 0.12 -1.55 0.04 0.00 -1.53 0.00 0.00 36.38 33.47 2kma s VAL 13 CO 0.18 -0.56 0.15 0.54 -3.33 0.00 0.00 175.10 172.08 2kma s VAL 14 N -2.57 -0.11 0.08 2.04 0.11 -1.26 0.85 120.40 119.53 2kma s VAL 14 Ca 0.10 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2kma s VAL 14 Cb -0.02 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 2kma s VAL 14 CO 0.01 0.09 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.12 2kma s LYS 15 N 1.50 1.24 -0.33 1.54 -0.14 0.17 -4.95 119.74 118.78 2kma s LYS 15 Ca -0.06 -1.09 -0.14 0.00 -1.36 0.00 0.00 55.97 53.33 2kma s LYS 15 Cb -0.12 -1.47 -0.02 0.00 -1.68 0.00 0.00 37.83 34.55 2kma s LYS 15 CO -0.06 0.35 0.30 0.99 -0.76 0.00 0.00 175.35 176.17 2kma s THR 16 N -1.02 5.23 0.07 2.17 2.01 -1.26 0.35 115.64 123.19 2kma s THR 16 Ca 0.07 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.14 2kma s THR 16 Cb -0.10 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2kma s THR 16 CO 0.03 0.01 -0.15 -0.04 -0.69 0.00 0.00 174.62 173.79 2kma s MET 17 N 1.88 0.86 -0.08 4.92 -1.94 0.06 -4.96 119.30 120.03 2kma s MET 17 Ca 0.09 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 53.16 2kma s MET 17 Cb -0.17 -0.88 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 2kma s MET 17 CO 0.11 0.20 -0.09 -0.65 -0.01 0.00 0.00 175.02 174.58 2kma s GLN 18 N -1.61 2.90 0.12 2.03 -0.21 -1.26 -0.13 119.66 121.50 2kma s GLN 18 Ca -0.01 -0.60 0.06 0.00 0.02 0.00 0.00 55.36 54.83 2kma s GLN 18 Cb -0.10 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2kma s GLN 18 CO 0.02 0.53 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.52 2kma s PHE 19 N -0.47 1.40 0.68 0.91 0.40 -0.29 -4.95 117.98 115.67 2kma s PHE 19 Ca 0.06 -0.55 -0.17 0.00 -0.60 0.00 0.00 56.93 55.68 2kma s PHE 19 Cb -0.12 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.69 2kma s PHE 19 CO 0.02 0.14 1.23 -1.21 0.70 0.00 0.00 175.22 176.11 2kma s GLU 20 N -2.63 2.40 0.37 0.44 2.02 -1.26 -0.71 118.70 119.32 2kma s GLU 20 Ca 0.09 1.86 0.17 0.00 0.02 0.00 0.00 54.97 57.11 2kma s GLU 20 Cb -0.05 -1.85 1.10 0.00 0.10 0.00 0.00 34.13 33.42 2kma s GLU 20 CO 0.03 -1.66 1.71 -1.00 0.02 0.00 0.00 175.26 174.36 2kma h PRO 21 N 0.15 0.37 0.00 0.39 0.13 -1.94 -3.06 132.00 128.03 2kma h PRO 21 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kma h PRO 21 Cb 1.31 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kma h PRO 21 CO 0.52 0.24 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 2kma n SER 22 N -4.81 0.00 0.00 1.44 7.64 -1.26 -2.12 113.62 114.52 2kma n SER 22 Ca 0.29 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2kma n SER 22 Cb 0.96 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2kma n SER 22 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kma n THR 23 N -2.06 0.00 0.00 0.44 -1.04 -1.16 -1.85 114.28 108.61 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 -0.30 -2.82 1.56 -1.26 -4.30 117.12 110.00 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 0.25 0.00 2.15 0.00 0.00 33.22 35.62 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma h VAL 25 N 0.00 0.20 -0.57 1.12 2.07 -1.76 0.27 116.25 117.58 2kma h VAL 25 Ca 0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2kma h VAL 25 Cb 0.00 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 2kma h VAL 25 CO 0.00 0.02 0.33 0.10 0.02 0.00 0.00 177.57 178.03 2kma h TYR 26 N 0.09 0.75 0.09 1.57 -0.00 -1.88 0.13 116.97 117.72 2kma h TYR 26 Ca 0.53 -0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.96 2kma h TYR 26 Cb 1.04 -0.25 0.03 0.00 0.00 0.00 0.00 36.73 37.56 2kma h TYR 26 CO -0.41 0.51 -1.20 0.22 -0.00 0.00 0.00 178.16 177.28 2kma h ASP 27 N 0.78 0.90 -0.46 0.10 1.82 -0.75 -3.16 116.42 115.65 2kma h ASP 27 Ca 0.20 -0.80 0.08 0.00 -0.39 0.00 0.00 57.03 56.12 2kma h ASP 27 Cb -0.01 -0.28 -0.06 0.00 0.68 0.00 0.00 39.33 39.66 2kma h ASP 27 CO -0.04 1.60 0.09 0.00 -1.61 0.00 0.00 179.24 179.28 2kma h ALA 28 N 0.31 0.51 -0.69 -0.78 0.00 -0.45 -1.78 119.26 116.38 2kma h ALA 28 Ca -0.18 0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2kma h ALA 28 Cb 1.87 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 2kma h ALA 28 CO 0.23 -0.32 0.46 0.00 0.00 0.00 0.00 179.25 179.62 2kma h ARG 30 N 0.46 0.38 0.19 0.00 0.11 -1.30 -2.97 114.38 111.25 2kma h ARG 30 Ca 0.32 -0.43 -0.26 0.00 0.10 0.00 0.00 59.98 59.72 2kma h ARG 30 Cb 0.65 0.13 0.03 0.00 1.11 0.00 0.00 29.97 31.88 2kma h ARG 30 CO -0.10 1.10 -1.16 0.52 0.10 0.00 0.00 179.97 180.43 2kma h MET 31 N 0.21 0.40 -0.38 0.08 2.86 -1.11 -3.12 114.93 113.87 2kma h MET 31 Ca -0.08 -0.68 -0.02 0.00 -2.06 0.00 0.00 59.70 56.86 2kma h MET 31 Cb 1.60 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 33.50 2kma h MET 31 CO 0.16 1.32 0.14 0.97 1.06 0.00 0.00 176.91 180.57 2kma h ILE 32 N -0.15 1.20 0.00 -1.22 2.10 -1.10 -1.14 117.51 117.20 2kma h ILE 32 Ca -0.21 -0.63 -0.00 0.00 1.08 0.00 0.00 64.86 65.10 2kma h ILE 32 Cb 1.88 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 2kma h ILE 32 CO 0.20 0.22 -0.01 0.03 -1.08 0.00 0.00 178.15 177.51 2kma h ARG 33 N 0.47 0.00 0.55 2.19 3.08 -1.66 0.13 114.38 119.14 2kma h ARG 33 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 2kma h ARG 33 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.26 2kma h ARG 33 CO -0.01 0.01 -0.26 1.49 -1.07 0.00 0.00 179.97 180.13 2kma h GLU 34 N 0.00 -0.71 0.13 0.04 4.57 -1.15 -3.37 114.58 114.10 2kma h GLU 34 Ca -0.00 0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.93 2kma h GLU 34 Cb 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2kma h GLU 34 CO 0.00 -0.47 -1.44 0.07 -1.18 0.00 0.00 179.01 175.99 2kma h ARG 35 N -1.20 0.28 -4.30 1.92 -0.00 -1.43 -3.43 114.38 106.22 2kma h ARG 35 Ca -0.08 -0.47 -0.74 0.00 -0.00 0.00 0.00 59.98 58.69 2kma h ARG 35 Cb 0.56 0.18 -0.24 0.00 -0.00 0.00 0.00 29.97 30.47 2kma h ARG 35 CO 0.12 1.17 -0.34 0.42 -0.00 0.00 0.00 179.97 181.34 2kma s ILE 36 N -2.63 4.95 0.14 0.08 1.01 0.46 -4.93 121.20 120.29 2kma s ILE 36 Ca -0.07 -1.25 0.26 0.00 0.00 0.00 0.00 60.65 59.59 2kma s ILE 36 Cb 0.07 -4.02 0.27 0.00 0.01 0.00 0.00 42.46 38.78 2kma s ILE 36 CO 0.87 -0.62 1.87 1.55 0.00 0.00 0.00 174.94 178.61 2kma h PRO 37 N 8.68 0.00 0.00 2.79 0.13 -1.81 -2.91 132.00 138.89 2kma h PRO 37 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kma h PRO 37 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 37 CO 0.88 0.17 0.00 0.39 -0.23 0.00 0.00 178.00 179.21 2kma n GLU 38 N -3.34 0.19 -0.07 0.86 -0.58 -1.26 -3.13 120.64 113.30 2kma n GLU 38 Ca 0.00 0.45 -0.14 0.00 -0.42 0.00 0.00 57.16 57.04 2kma n GLU 38 Cb 0.39 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.33 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kma h ALA 39 N 2.24 0.39 -1.24 0.62 0.00 -1.84 -3.36 119.26 116.08 2kma h ALA 39 Ca 0.00 -0.47 -0.80 0.00 0.00 0.00 0.00 54.91 53.65 2kma h ALA 39 Cb 0.32 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 17.80 2kma h ALA 39 CO 0.00 0.52 1.29 1.47 0.00 0.00 0.00 179.25 182.53 2kma n LEU 40 N -4.16 7.30 -0.52 0.00 -0.00 -1.18 -4.70 117.00 113.74 2kma n LEU 40 Ca -0.05 -5.24 0.00 0.00 -0.00 0.00 0.00 56.01 50.72 2kma n LEU 40 Cb 0.56 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.74 2kma n LEU 40 CO 0.47 1.96 0.20 0.00 -0.00 0.00 0.00 177.39 180.02 2kma n ALA 41 N 0.66 2.14 0.00 1.47 0.00 -1.26 -4.80 120.51 118.72 2kma n ALA 41 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2kma n ALA 41 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 0.14 -0.58 3.72 0.00 0.00 -1.26 -5.13 105.19 102.08 2kma n GLY 42 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.31 4.42 0.55 1.61 0.02 -1.26 -4.91 135.00 135.11 2kma s PRO 43 Ca 0.00 1.91 0.31 0.00 0.02 0.00 0.00 61.00 63.23 2kma s PRO 43 Cb 0.00 -3.28 1.47 0.00 0.02 0.00 0.00 34.50 32.72 2kma s PRO 43 CO 0.00 -0.25 1.89 -1.00 -0.33 0.00 0.00 177.00 177.30 2kma h PRO 44 N 6.22 0.00 0.00 5.54 0.13 -1.94 0.17 132.00 142.12 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kma h PRO 44 CO 0.80 0.00 0.00 -2.95 -0.23 0.00 0.00 178.00 175.62 2kma h ASN 45 N 0.00 0.00 -0.64 1.44 7.08 -2.03 -1.84 115.58 119.58 2kma h ASN 45 Ca 0.39 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.61 2kma h ASN 45 Cb 1.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.85 2kma h ASN 45 CO -0.00 0.00 0.00 0.47 -2.08 0.00 0.00 177.43 175.82 2kma n ASP 46 N -2.83 3.86 -4.06 6.14 8.00 0.58 -4.86 116.55 123.39 2kma n ASP 46 Ca 0.01 -2.14 -0.29 0.00 0.71 0.00 0.00 54.79 53.08 2kma n ASP 46 Cb 0.27 -0.48 -0.17 0.00 -0.02 0.00 0.00 41.12 40.72 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kma s PHE 47 N -1.36 2.00 0.42 1.24 0.08 -0.69 0.36 117.98 120.02 2kma s PHE 47 Ca 0.45 -0.94 0.03 0.00 0.12 0.00 0.00 56.93 56.59 2kma s PHE 47 Cb 0.26 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 2kma s PHE 47 CO 0.28 -0.48 0.08 0.20 -0.10 0.00 0.00 175.22 175.19 2kma s GLY 48 N 0.99 2.60 -0.43 4.36 0.00 -0.24 -4.79 107.32 109.81 2kma s GLY 48 Ca -0.06 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.23 2kma s GLY 48 CO -0.02 -1.94 0.41 1.08 0.00 0.00 0.00 173.10 172.64 2kma s LEU 49 N -3.66 5.00 -0.18 0.66 1.43 -1.26 -2.30 118.68 118.37 2kma s LEU 49 Ca 0.23 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 2kma s LEU 49 Cb 0.04 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 2kma s LEU 49 CO 0.12 -0.57 0.31 0.12 0.23 0.00 0.00 176.35 176.56 2kma s PHE 50 N 2.01 3.42 -0.43 0.29 5.36 0.11 0.93 117.98 129.66 2kma s PHE 50 Ca 0.10 0.57 -0.20 0.00 -0.96 0.00 0.00 56.93 56.44 2kma s PHE 50 Cb -0.18 -2.39 0.02 0.00 -0.34 0.00 0.00 43.02 40.13 2kma s PHE 50 CO 0.12 0.15 0.60 -1.17 -1.46 0.00 0.00 175.22 173.45 2kma s LEU 51 N 0.78 4.58 -1.07 6.12 1.98 0.40 0.18 118.68 131.64 2kma s LEU 51 Ca 0.16 -0.40 -0.22 0.00 -2.89 0.00 0.00 54.13 50.78 2kma s LEU 51 Cb -0.14 -2.65 0.03 0.00 0.66 0.00 0.00 46.19 44.09 2kma s LEU 51 CO 0.05 -0.73 1.63 -0.44 -1.89 0.00 0.00 176.35 174.98 2kma s SER 52 N 1.95 6.22 0.00 3.68 0.01 -1.19 -3.09 113.70 121.27 2kma s SER 52 Ca 0.20 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2kma s SER 52 Cb -0.15 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2kma s SER 52 CO 0.18 -1.78 0.81 -0.67 0.41 0.00 0.00 173.24 172.19 2kma n ASP 53 N 10.11 0.00 0.00 2.44 2.03 -1.26 -4.70 116.55 125.16 2kma n ASP 53 Ca 0.38 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.58 2kma n ASP 53 Cb 0.49 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kma n ASP 54 N -1.91 0.00 -4.84 1.67 2.03 -1.26 -5.05 116.55 107.18 2kma n ASP 54 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 2kma n ASP 54 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2kma n ASP 54 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kma s ASP 55 N 0.00 6.76 0.55 1.67 1.11 -1.26 -4.99 116.67 120.51 2kma s ASP 55 Ca 0.00 0.90 0.22 0.00 0.18 0.00 0.00 52.55 53.85 2kma s ASP 55 Cb 0.00 -2.23 1.47 0.00 1.07 0.00 0.00 42.92 43.23 2kma s ASP 55 CO 0.00 0.33 2.17 1.55 1.18 0.00 0.00 175.17 180.39 2kma h PRO 56 N 4.68 0.00 -0.04 8.23 0.13 -1.97 0.22 132.00 143.25 2kma h PRO 56 Ca -0.52 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.41 2kma h PRO 56 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kma h PRO 56 CO 0.61 0.00 -0.83 0.87 -0.23 0.00 0.00 178.00 178.42 2kma h LYS 57 N 0.00 0.37 0.00 0.86 1.79 -1.94 -3.16 116.57 114.49 2kma h LYS 57 Ca 0.02 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2kma h LYS 57 Cb 0.11 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2kma h LYS 57 CO -0.00 1.01 -0.38 0.87 -1.08 0.00 0.00 179.45 179.88 2kma h LYS 58 N 0.23 0.00 -7.09 3.15 1.57 -1.65 -3.45 116.57 109.32 2kma h LYS 58 Ca -0.05 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.18 2kma h LYS 58 Cb 1.43 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.89 2kma h LYS 58 CO 0.14 0.00 0.52 0.20 -0.57 0.00 0.00 179.45 179.74 2kma s GLY 59 N -4.21 2.84 0.07 3.86 0.00 -0.03 -4.77 107.32 105.09 2kma s GLY 59 Ca 0.05 1.19 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 2kma s GLY 59 CO 0.71 1.63 0.01 -0.26 0.00 0.00 0.00 173.10 175.19 2kma s ILE 60 N -1.42 0.19 -0.26 0.90 -4.36 -1.18 -4.99 121.20 110.09 2kma s ILE 60 Ca 0.79 -1.73 -0.10 0.00 -0.26 0.00 0.00 60.65 59.35 2kma s ILE 60 Cb -0.36 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 2kma s ILE 60 CO 0.40 -0.88 0.14 0.26 0.24 0.00 0.00 174.94 175.09 2kma s TRP 61 N -3.93 3.20 -0.41 1.37 0.52 -1.26 -0.46 118.94 117.98 2kma s TRP 61 Ca 0.09 -0.02 -0.29 0.00 0.02 0.00 0.00 56.10 55.90 2kma s TRP 61 Cb 0.07 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2kma s TRP 61 CO -0.09 -0.16 1.33 -0.51 0.02 0.00 0.00 176.95 177.54 2kma s LEU 62 N 1.50 3.65 0.53 2.99 1.43 0.26 -4.98 118.68 124.08 2kma s LEU 62 Ca 0.07 0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 53.91 2kma s LEU 62 Cb -0.15 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2kma s LEU 62 CO 0.07 -1.33 0.88 -1.83 0.23 0.00 0.00 176.35 174.37 2kma s GLU 63 N 4.68 3.56 0.12 1.70 -1.05 -1.26 -4.17 118.70 122.28 2kma s GLU 63 Ca 0.57 0.40 0.18 0.00 -0.15 0.00 0.00 54.97 55.97 2kma s GLU 63 Cb -0.13 -2.26 0.76 0.00 -0.44 0.00 0.00 34.13 32.06 2kma s GLU 63 CO 0.31 -0.34 1.55 0.00 0.95 0.00 0.00 175.26 177.72 2kma n ALA 64 N -2.45 1.59 0.90 -0.84 0.00 -1.26 -2.95 120.51 115.51 2kma n ALA 64 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.51 2kma n ALA 64 Cb 0.55 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.15 1.08 3.39 0.00 0.00 -1.26 -4.53 105.19 103.72 2kma n GLY 65 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.54 1.19 0.82 1.61 0.00 -1.15 -5.13 119.74 115.54 2kma s LYS 66 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 55.97 55.33 2kma s LYS 66 Cb 0.08 0.51 0.15 0.00 0.00 0.00 0.00 37.83 38.57 2kma s LYS 66 CO 0.05 -0.49 1.14 0.00 0.00 0.00 0.00 175.35 176.05 2kma s ALA 67 N -3.80 2.95 -0.11 0.59 0.00 -1.26 -3.63 121.76 116.50 2kma s ALA 67 Ca 0.04 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 2kma s ALA 67 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 2kma s ALA 67 CO -0.10 -1.86 -0.01 -0.07 0.00 0.00 0.00 175.76 173.72 2kma h LEU 68 N -1.03 0.00 -0.06 0.00 3.38 -1.52 -3.33 115.31 112.75 2kma h LEU 68 Ca -0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kma h LEU 68 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.43 0.54 0.00 -0.67 0.09 0.00 0.00 178.44 178.83 2kma n ASP 69 N -4.76 0.04 -0.18 -0.43 2.03 -0.90 -0.44 116.55 111.91 2kma n ASP 69 Ca -0.01 0.51 0.09 0.00 0.52 0.00 0.00 54.79 55.90 2kma n ASP 69 Cb 0.04 -0.52 0.39 0.00 -0.72 0.00 0.00 41.12 40.31 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 0.70 -1.60 -0.67 3.20 -1.77 -3.42 116.97 113.40 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 0.15 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2kma h TYR 70 CO 0.00 0.34 0.00 0.66 -1.64 0.00 0.00 178.16 177.52 2kma n TYR 71 N -4.49 -2.01 -0.51 -3.82 4.01 0.41 -4.97 117.16 105.78 2kma n TYR 71 Ca 0.12 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.92 2kma n TYR 71 Cb 0.31 0.00 0.33 0.00 -0.31 0.00 0.00 39.34 39.68 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 -0.51 4.02 -3.63 -0.72 2.81 -1.26 -4.92 117.12 112.91 2kma n MET 72 Ca 0.00 -2.61 -0.35 0.00 -1.81 0.00 0.00 57.70 52.93 2kma n MET 72 Cb 0.00 -2.05 -0.05 0.00 -0.71 0.00 0.00 33.22 30.41 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 -2.12 4.37 0.00 4.03 0.05 -1.26 -5.05 118.68 118.69 2kma s LEU 73 Ca 0.46 0.73 0.00 0.00 0.05 0.00 0.00 54.13 55.37 2kma s LEU 73 Cb 0.33 -2.80 0.00 0.00 -2.05 0.00 0.00 46.19 41.67 2kma s LEU 73 CO 0.16 0.23 0.00 0.54 -0.55 0.00 0.00 176.35 176.72 2kma n ARG 74 N 1.13 0.00 -1.82 1.48 1.74 -1.26 -4.36 116.66 113.57 2kma n ARG 74 Ca -0.10 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.55 2kma n ARG 74 Cb 0.53 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2kma s ASN 75 N 1.68 6.04 0.00 0.55 0.01 -1.26 -2.18 114.94 119.77 2kma s ASN 75 Ca 0.00 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.10 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 -1.49 0.00 0.61 -1.51 0.00 0.00 177.10 174.71 2kma n GLY 76 N 5.07 1.08 3.80 0.66 0.00 -0.36 -4.92 105.19 110.52 2kma n GLY 76 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.99 7.15 -0.21 1.61 1.01 -0.93 -4.82 116.67 118.51 2kma s ASP 77 Ca 0.00 1.77 -0.17 0.00 0.71 0.00 0.00 52.55 54.86 2kma s ASP 77 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kma s ASP 77 CO 0.00 -0.20 0.44 -0.89 0.21 0.00 0.00 175.17 174.72 2kma s THR 78 N -1.88 5.16 -0.24 -1.27 2.01 -1.26 -1.50 115.64 116.67 2kma s THR 78 Ca 0.56 0.77 0.02 0.00 0.31 0.00 0.00 61.69 63.35 2kma s THR 78 Cb -0.14 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.66 2kma s THR 78 CO 0.19 0.21 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.89 2kma s MET 79 N 1.51 2.36 -0.12 4.92 1.75 0.12 -3.18 119.30 126.65 2kma s MET 79 Ca 0.20 -1.17 -0.27 0.00 -1.25 0.00 0.00 55.69 53.20 2kma s MET 79 Cb -0.15 -2.76 -0.01 0.00 2.84 0.00 0.00 34.83 34.74 2kma s MET 79 CO 0.09 -0.48 0.92 -2.00 -0.65 0.00 0.00 175.02 172.90 2kma s GLU 80 N 1.18 4.38 -0.50 4.11 2.12 0.13 -2.62 118.70 127.50 2kma s GLU 80 Ca -0.05 1.21 -0.15 0.00 0.36 0.00 0.00 54.97 56.34 2kma s GLU 80 Cb -0.18 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.76 2kma s GLU 80 CO -0.07 -0.29 0.43 -0.47 -0.54 0.00 0.00 175.26 174.32 2kma s TYR 81 N 1.95 3.26 0.16 5.30 6.14 0.15 0.07 117.35 134.37 2kma s TYR 81 Ca 0.44 -1.13 0.02 0.00 0.64 0.00 0.00 57.07 57.04 2kma s TYR 81 Cb -0.18 -3.42 -0.05 0.00 0.42 0.00 0.00 41.96 38.73 2kma s TYR 81 CO 0.16 -0.89 -0.02 -0.98 0.64 0.00 0.00 175.55 174.46 2kma s ARG 82 N 1.61 1.06 0.19 4.97 1.70 -0.97 -4.24 118.95 123.26 2kma s ARG 82 Ca 0.04 -1.49 -0.32 0.00 -0.47 0.00 0.00 55.73 53.48 2kma s ARG 82 Cb -0.27 -0.28 -0.12 0.00 -0.57 0.00 0.00 34.95 33.71 2kma s ARG 82 CO 0.05 -0.10 1.73 1.17 -1.08 0.00 0.00 175.30 177.07 2kma n LYS 83 N -0.20 2.73 -0.20 3.89 4.81 -1.26 -1.08 118.16 126.84 2kma n LYS 83 Ca -0.08 0.99 0.22 0.00 -0.87 0.00 0.00 58.31 58.57 2kma n LYS 83 Cb 0.63 -2.84 0.59 0.00 0.02 0.00 0.00 35.03 33.43 2kma n LYS 83 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2kma h LYS 84 N 7.00 0.25 -6.16 1.64 1.79 -0.41 -3.42 116.57 117.26 2kma h LYS 84 Ca -0.44 -0.01 -0.54 0.00 -2.18 0.00 0.00 60.65 57.48 2kma h LYS 84 Cb 1.21 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2kma h LYS 84 CO 0.95 0.16 -0.38 -0.65 -1.08 0.00 0.00 179.45 178.46 2kma s GLN 85 N -5.26 3.49 0.08 3.15 -0.21 -1.26 0.16 119.66 119.81 2kma s GLN 85 Ca -0.07 -0.42 0.06 0.00 0.02 0.00 0.00 55.36 54.94 2kma s GLN 85 Cb 0.22 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 2kma s GLN 85 CO 0.78 0.44 -0.15 -0.98 -2.12 0.00 0.00 175.29 173.25 2kma s ARG 86 N -3.29 0.88 -0.43 2.91 1.04 0.01 -4.80 118.95 115.28 2kma s ARG 86 Ca 0.37 -1.00 -0.27 0.00 -1.04 0.00 0.00 55.73 53.78 2kma s ARG 86 Cb -0.11 -0.94 -0.04 0.00 -2.04 0.00 0.00 34.95 31.82 2kma s ARG 86 CO 0.29 0.21 2.03 -2.14 -0.04 0.00 0.00 175.30 175.65 2kma s PRO 87 N -1.80 2.81 -0.22 3.89 0.02 -1.26 -2.27 135.00 136.16 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 -0.10 -4.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.01 2kma s PRO 87 CO 0.03 -2.48 0.09 -0.51 -0.33 0.00 0.00 177.00 173.79 2kma s LEU 88 N 9.01 3.79 -0.36 -5.54 1.43 0.17 -4.56 118.68 122.62 2kma s LEU 88 Ca 0.84 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.77 2kma s LEU 88 Cb -0.20 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 2kma s LEU 88 CO 0.28 0.08 0.49 -0.54 0.23 0.00 0.00 176.35 176.90 2kma s LYS 89 N 0.92 3.54 -0.02 1.70 1.02 -1.26 -0.78 119.74 124.86 2kma s LYS 89 Ca 0.05 -0.27 0.07 0.00 0.02 0.00 0.00 55.97 55.83 2kma s LYS 89 Cb -0.14 -3.83 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 2kma s LYS 89 CO 0.03 -0.67 -0.23 0.42 -0.92 0.00 0.00 175.35 173.98 2kma s ILE 90 N 2.33 1.83 -0.14 2.17 -1.09 0.89 -0.31 121.20 126.89 2kma s ILE 90 Ca 0.17 -0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 2kma s ILE 90 Cb -0.16 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.18 2kma s ILE 90 CO 0.13 0.52 -0.12 -0.60 -1.23 0.00 0.00 174.94 173.64 2kma s ARG 91 N -0.45 3.39 0.82 2.79 3.52 0.02 -0.07 118.95 128.96 2kma s ARG 91 Ca 0.06 -0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 2kma s ARG 91 Cb -0.10 -2.68 0.11 0.00 -1.56 0.00 0.00 34.95 30.73 2kma s ARG 91 CO -0.00 0.17 1.17 -1.64 -0.81 0.00 0.00 175.30 174.18 2kma s MET 92 N 0.48 1.62 0.30 5.12 -1.94 0.34 -0.88 119.30 124.34 2kma s MET 92 Ca -0.09 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.70 2kma s MET 92 Cb -0.16 -2.00 0.62 0.00 2.01 0.00 0.00 34.83 35.30 2kma s MET 92 CO 0.04 -1.73 1.83 -0.07 -0.01 0.00 0.00 175.02 175.08 2kma h LEU 93 N -1.07 0.87 -0.63 -0.03 -0.00 -1.88 0.28 115.31 112.85 2kma h LEU 93 Ca -0.44 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 2kma h LEU 93 Cb 1.29 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2kma h LEU 93 CO 0.55 0.43 0.00 -0.78 -0.00 0.00 0.00 178.44 178.63 2kma h ASP 94 N 0.91 0.00 0.00 -0.43 3.58 -1.94 -3.45 116.42 115.09 2kma h ASP 94 Ca 0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.96 2kma h ASP 94 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kma h ASP 94 CO -0.28 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.69 2kma n GLY 95 N 0.32 1.11 3.72 -0.78 0.00 0.97 -5.09 105.19 105.44 2kma n GLY 95 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 4.79 -0.07 2.61 2.01 -1.23 -4.76 115.64 116.98 2kma s THR 96 Ca 0.00 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.04 2kma s THR 96 Cb 0.00 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 2kma s THR 96 CO 0.00 0.21 -0.16 0.54 -0.69 0.00 0.00 174.62 174.53 2kma s VAL 97 N 0.71 2.91 0.05 3.82 0.11 -1.26 0.13 120.40 126.87 2kma s VAL 97 Ca 0.49 -0.76 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2kma s VAL 97 Cb -0.21 -2.15 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2kma s VAL 97 CO 0.28 0.57 -0.04 -1.59 -3.33 0.00 0.00 175.10 170.99 2kma s LYS 98 N -0.33 0.61 -0.25 1.54 -2.85 0.90 -4.97 119.74 114.38 2kma s LYS 98 Ca 0.03 -1.16 -0.04 0.00 -1.00 0.00 0.00 55.97 53.80 2kma s LYS 98 Cb -0.13 0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.79 2kma s LYS 98 CO 0.02 -0.09 -0.02 0.99 0.10 0.00 0.00 175.35 176.36 2kma s THR 99 N -3.55 3.28 0.06 3.79 2.01 -1.26 -0.07 115.64 119.90 2kma s THR 99 Ca 0.05 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2kma s THR 99 Cb 0.05 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2kma s THR 99 CO -0.08 0.24 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.39 2kma s ILE 100 N 1.41 1.45 -0.38 1.82 -1.16 0.04 -4.88 121.20 119.50 2kma s ILE 100 Ca 0.02 -1.20 -0.20 0.00 -0.51 0.00 0.00 60.65 58.76 2kma s ILE 100 Cb -0.16 -1.29 0.01 0.00 0.61 0.00 0.00 42.46 41.62 2kma s ILE 100 CO -0.02 0.06 0.60 -0.04 -2.81 0.00 0.00 174.94 172.72 2kma s MET 101 N -1.34 3.53 -0.04 3.50 -1.94 -1.26 -0.65 119.30 121.10 2kma s MET 101 Ca 0.05 -0.14 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 2kma s MET 101 Cb -0.09 -3.85 -0.02 0.00 2.01 0.00 0.00 34.83 32.88 2kma s MET 101 CO 0.02 -0.80 -0.22 0.08 -0.01 0.00 0.00 175.02 174.09 2kma s VAL 102 N 2.65 2.38 0.27 -6.03 1.01 -0.96 -4.74 120.40 114.98 2kma s VAL 102 Ca 0.22 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.92 2kma s VAL 102 Cb -0.15 -1.87 -0.12 0.00 0.00 0.00 0.00 36.38 34.25 2kma s VAL 102 CO 0.16 0.58 1.63 0.47 0.00 0.00 0.00 175.10 177.94 2kma n ASP 103 N 2.48 3.90 -0.01 3.32 8.00 -1.26 -0.81 116.55 132.17 2kma n ASP 103 Ca -0.17 1.13 0.13 0.00 0.71 0.00 0.00 54.79 56.59 2kma n ASP 103 Cb 0.51 -1.59 0.39 0.00 -0.02 0.00 0.00 41.12 40.41 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kma n ASP 104 N 2.58 0.34 0.00 -2.24 2.03 0.12 -3.82 116.55 115.57 2kma n ASP 104 Ca 0.10 -0.03 0.15 0.00 0.52 0.00 0.00 54.79 55.53 2kma n ASP 104 Cb 0.36 -0.01 0.88 0.00 -0.72 0.00 0.00 41.12 41.63 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 -1.46 0.00 -3.98 1.67 3.41 -1.26 -4.76 113.62 107.24 2kma n SER 105 Ca 0.06 -0.95 -0.25 0.00 -0.26 0.00 0.00 58.87 57.47 2kma n SER 105 Cb 0.33 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2kma s LYS 106 N -2.00 1.94 0.26 4.33 0.00 -1.25 -5.02 119.74 118.00 2kma s LYS 106 Ca 0.45 -2.18 -0.01 0.00 0.00 0.00 0.00 55.97 54.22 2kma s LYS 106 Cb 0.20 -0.47 0.05 0.00 0.00 0.00 0.00 37.83 37.62 2kma s LYS 106 CO 0.34 -0.53 0.36 0.25 0.00 0.00 0.00 175.35 175.78 2kma n THR 107 N -0.90 0.00 0.27 3.79 -2.24 -1.26 -4.44 114.28 109.50 2kma n THR 107 Ca -0.04 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 2kma n THR 107 Cb 0.64 -1.33 -0.08 0.00 -2.10 0.00 0.00 70.33 67.47 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 -0.61 0.40 -0.84 2.28 2.07 -1.76 -2.65 116.25 115.14 2kma h VAL 108 Ca -0.12 -0.33 0.20 0.00 0.82 0.00 0.00 66.70 67.27 2kma h VAL 108 Cb 0.41 0.52 -0.15 0.00 -1.52 0.00 0.00 31.29 30.55 2kma h VAL 108 CO 0.12 0.05 -0.02 0.74 0.02 0.00 0.00 177.57 178.47 2kma h THR 109 N -0.93 0.22 -0.47 2.57 2.02 -1.91 0.48 112.91 114.89 2kma h THR 109 Ca -0.07 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 2kma h THR 109 Cb 0.62 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2kma h THR 109 CO 0.12 0.01 -0.14 -0.78 0.37 0.00 0.00 175.52 175.10 2kma h ASP 110 N 0.06 0.88 -0.41 4.18 1.82 -1.92 0.22 116.42 121.25 2kma h ASP 110 Ca 0.47 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.80 2kma h ASP 110 Cb 0.85 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 2kma h ASP 110 CO -0.78 1.02 0.18 -0.03 -1.61 0.00 0.00 179.24 178.02 2kma h MET 111 N 0.78 0.59 -0.75 0.28 4.05 -0.44 -1.16 114.93 118.29 2kma h MET 111 Ca 0.12 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2kma h MET 111 Cb 0.66 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 2kma h MET 111 CO 0.05 0.53 0.31 1.25 0.23 0.00 0.00 176.91 179.28 2kma h LEU 112 N 0.51 1.02 -1.39 3.39 5.85 0.13 0.15 115.31 124.98 2kma h LEU 112 Ca 0.14 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2kma h LEU 112 Cb 0.14 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2kma h LEU 112 CO -0.02 0.91 0.48 -0.03 -0.34 0.00 0.00 178.44 179.44 2kma h MET 113 N 1.07 0.70 -0.04 1.25 4.05 -0.73 -1.25 114.93 119.98 2kma h MET 113 Ca 0.25 -0.04 -0.24 0.00 -0.28 0.00 0.00 59.70 59.38 2kma h MET 113 Cb 0.20 -0.16 0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2kma h MET 113 CO -0.02 0.46 -0.93 1.15 0.23 0.00 0.00 176.91 177.80 2kma h THR 114 N 0.72 1.29 -0.17 -0.77 2.02 0.10 -3.21 112.91 112.89 2kma h THR 114 Ca 0.32 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 65.28 2kma h THR 114 Cb 0.31 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2kma h THR 114 CO -0.11 0.67 -0.15 0.40 0.37 0.00 0.00 175.52 176.70 2kma h ILE 115 N 0.39 1.33 -0.23 3.11 2.04 -0.17 -3.01 117.51 120.97 2kma h ILE 115 Ca -0.10 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2kma h ILE 115 Cb 1.58 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 2kma h ILE 115 CO 0.18 0.38 0.04 0.00 0.00 0.00 0.00 178.15 178.76 2kma h ALA 117 N 1.71 1.15 -0.25 0.00 0.00 -1.53 0.24 119.26 120.58 2kma h ALA 117 Ca 0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2kma h ALA 117 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kma h ALA 117 CO -0.00 0.36 -0.39 0.00 0.00 0.00 0.00 179.25 179.22 2kma h ARG 118 N 0.00 0.72 -0.05 0.00 2.47 -1.12 -3.28 114.38 113.11 2kma h ARG 118 Ca -0.00 -0.43 -0.05 0.00 -1.26 0.00 0.00 59.98 58.23 2kma h ARG 118 Cb 0.69 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2kma h ARG 118 CO 0.04 1.05 -0.18 0.82 0.56 0.00 0.00 179.97 182.26 2kma h ILE 119 N 0.44 1.45 0.00 2.04 1.08 -1.38 -3.48 117.51 117.67 2kma h ILE 119 Ca 0.02 -1.61 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 2kma h ILE 119 Cb 0.99 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 2kma h ILE 119 CO 0.09 0.45 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 2kma n GLY 120 N 0.64 1.65 3.62 5.37 0.00 -0.19 -5.12 105.19 111.16 2kma n GLY 120 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.65 5.24 0.05 -0.61 1.01 0.68 -4.95 121.20 120.97 2kma s ILE 121 Ca 0.00 0.44 0.11 0.00 0.00 0.00 0.00 60.65 61.20 2kma s ILE 121 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 2kma s ILE 121 CO 0.00 0.22 1.40 0.74 0.00 0.00 0.00 174.94 177.30 2kma h THR 122 N 5.27 1.36 -3.56 2.92 2.02 -1.99 -3.34 112.91 115.60 2kma h THR 122 Ca -0.34 -2.78 -0.52 0.00 0.77 0.00 0.00 66.41 63.54 2kma h THR 122 Cb 1.17 2.58 -0.03 0.00 -1.74 0.00 0.00 68.15 70.13 2kma h THR 122 CO 0.64 0.74 0.19 0.20 0.37 0.00 0.00 175.52 177.66 2kma s ASN 123 N -6.63 7.38 0.00 4.18 -0.87 -1.26 -4.91 114.94 112.83 2kma s ASN 123 Ca 0.02 1.65 0.00 0.00 -1.57 0.00 0.00 52.86 52.96 2kma s ASN 123 Cb 0.10 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 2kma s ASN 123 CO 0.78 0.18 0.09 0.00 -2.57 0.00 0.00 177.10 175.58 2kma n HIS 124 N 1.46 0.00 0.33 2.20 1.44 -1.26 -4.88 115.22 114.50 2kma n HIS 124 Ca -0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.77 2kma n HIS 124 Cb 0.49 0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.55 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 0.00 0.43 -1.85 4.39 9.92 -1.26 -3.91 116.55 124.27 2kma n ASP 125 Ca 0.00 -0.19 0.07 0.00 -0.53 0.00 0.00 54.79 54.14 2kma n ASP 125 Cb 0.34 1.33 0.40 0.00 -0.64 0.00 0.00 41.12 42.55 2kma n ASP 125 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2kma n GLU 126 N -2.10 4.77 -4.76 -1.24 0.28 -1.26 -4.90 120.64 111.44 2kma n GLU 126 Ca -0.01 -3.07 -0.25 0.00 -0.16 0.00 0.00 57.16 53.68 2kma n GLU 126 Cb 0.49 -2.24 -0.15 0.00 1.43 0.00 0.00 31.44 30.97 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 -2.68 1.62 0.27 -1.84 2.02 -1.25 0.28 117.35 115.75 2kma s TYR 127 Ca 0.53 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 57.00 2kma s TYR 127 Cb 0.40 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2kma s TYR 127 CO 0.16 0.01 0.03 -1.12 -1.57 0.00 0.00 175.55 173.06 2kma s SER 128 N -0.67 4.70 0.06 2.29 0.01 0.06 -4.80 113.70 115.35 2kma s SER 128 Ca 0.06 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.77 2kma s SER 128 Cb -0.07 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 2kma s SER 128 CO 0.00 -0.01 0.03 -0.22 0.41 0.00 0.00 173.24 173.45 2kma s LEU 129 N -3.70 3.62 -0.10 2.44 0.20 -1.24 -1.23 118.68 118.66 2kma s LEU 129 Ca 0.32 -0.07 -0.03 0.00 0.69 0.00 0.00 54.13 55.04 2kma s LEU 129 Cb -0.07 -2.27 0.04 0.00 -0.43 0.00 0.00 46.19 43.47 2kma s LEU 129 CO 0.21 0.20 0.08 0.54 -0.29 0.00 0.00 176.35 177.09 2kma s VAL 130 N -1.29 -0.12 -0.51 1.68 0.11 -0.35 0.12 120.40 120.05 2kma s VAL 130 Ca 0.26 0.19 -0.16 0.00 -2.93 0.00 0.00 61.98 59.34 2kma s VAL 130 Cb -0.12 -0.33 0.10 0.00 -1.53 0.00 0.00 36.38 34.50 2kma s VAL 130 CO 0.18 -0.01 0.45 -0.13 -3.33 0.00 0.00 175.10 172.26 2kma s ARG 131 N 2.17 2.98 -0.83 1.54 0.52 0.14 0.15 118.95 125.63 2kma s ARG 131 Ca 0.04 -1.53 -0.25 0.00 -0.52 0.00 0.00 55.73 53.47 2kma s ARG 131 Cb -0.14 -4.21 0.01 0.00 0.52 0.00 0.00 34.95 31.13 2kma s ARG 131 CO -0.06 -1.18 1.55 -1.21 0.02 0.00 0.00 175.30 174.43 2kma s GLU 132 N 1.62 3.10 0.57 3.54 2.02 -0.83 -3.34 118.70 125.39 2kma s GLU 132 Ca 0.04 -0.37 -0.00 0.00 0.02 0.00 0.00 54.97 54.66 2kma s GLU 132 Cb -0.27 -4.74 0.11 0.00 0.10 0.00 0.00 34.13 29.34 2kma s GLU 132 CO 0.05 -2.49 0.79 1.28 0.02 0.00 0.00 175.26 174.91 2kma n LEU 133 N 10.63 0.00 -0.88 1.80 4.77 -1.24 -3.40 117.00 128.68 2kma n LEU 133 Ca 0.22 -1.67 0.08 0.00 -0.03 0.00 0.00 56.01 54.61 2kma n LEU 133 Cb 0.50 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.27 2kma n LEU 133 CO 0.68 -0.88 0.66 1.15 -1.33 0.00 0.00 177.39 177.66 2kma n MET 134 N -2.46 2.53 -1.52 3.23 0.00 -1.26 -4.85 117.12 112.80 2kma n MET 134 Ca 0.13 -2.16 -0.53 0.00 0.00 0.00 0.00 57.70 55.14 2kma n MET 134 Cb 0.47 -1.38 -0.07 0.00 0.00 0.00 0.00 33.22 32.23 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N 0.97 1.08 0.21 3.17 -0.58 -1.26 -4.82 120.64 119.41 2kma n GLU 135 Ca 0.16 0.34 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 2kma n GLU 135 Cb 0.49 -2.29 0.31 0.00 -0.57 0.00 0.00 31.44 29.38 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 10.44 0.00 0.00 3.49 4.11 -2.00 -2.16 114.58 128.46 2kma h GLU 136 Ca -0.32 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.99 2kma h GLU 136 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2kma h GLU 136 CO 1.00 0.19 -0.86 0.87 0.07 0.00 0.00 179.01 180.29 2kma h LYS 137 N 0.00 0.00 0.13 1.06 1.57 -2.04 -3.43 116.57 113.86 2kma h LYS 137 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2kma h LYS 137 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2kma h LYS 137 CO 0.02 0.51 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.13 2kma h LYS 138 N -1.00 -0.16 -5.13 3.15 3.64 -1.97 -3.49 116.57 111.61 2kma h LYS 138 Ca -0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2kma h LYS 138 Cb 0.89 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2kma h LYS 138 CO -0.10 -0.11 -0.54 -3.47 -2.27 0.00 0.00 179.45 172.96 2kma n ASP 169 N -3.84 -7.63 -3.59 4.20 -0.08 -0.81 -5.07 116.55 99.72 2kma n ASP 169 Ca -0.02 0.63 -0.11 0.00 -1.51 0.00 0.00 54.79 53.77 2kma n ASP 169 Cb 0.07 -5.15 -0.04 0.00 2.34 0.00 0.00 41.12 38.34 2kma n ASP 169 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2kma s GLU 170 N -2.38 1.08 0.26 -0.67 0.41 -1.26 -5.00 118.70 111.14 2kma s GLU 170 Ca 0.20 -0.56 0.26 0.00 -0.41 0.00 0.00 54.97 54.46 2kma s GLU 170 Cb -0.06 0.48 0.85 0.00 -1.78 0.00 0.00 34.13 33.63 2kma s GLU 170 CO 0.73 -0.42 1.76 -0.07 -0.49 0.00 0.00 175.26 176.76 2kma h LEU 171 N 2.44 0.00 -3.28 1.80 3.38 -1.96 -3.28 115.31 114.41 2kma h LEU 171 Ca -0.33 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.32 2kma h LEU 171 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2kma h LEU 171 CO 0.44 0.00 -0.79 0.59 0.09 0.00 0.00 178.44 178.77 2kma n ASN 172 N -2.36 -5.88 -4.54 -0.43 3.02 -1.21 -0.03 115.26 103.83 2kma n ASN 172 Ca 0.04 -0.55 -0.41 0.00 -0.03 0.00 0.00 54.58 53.63 2kma n ASN 172 Cb 0.37 -2.84 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.79 2.34 -0.03 3.10 0.52 -1.26 0.29 118.94 121.11 2kma s TRP 173 Ca 0.06 -0.16 -0.31 0.00 0.02 0.00 0.00 56.10 55.71 2kma s TRP 173 Cb -0.01 -4.61 -0.09 0.00 -1.15 0.00 0.00 33.47 27.61 2kma s TRP 173 CO 0.85 -2.03 1.99 1.28 0.02 0.00 0.00 176.95 179.05 2kma n LEU 174 N 9.19 3.87 0.00 2.99 4.77 0.32 -4.83 117.00 133.31 2kma n LEU 174 Ca 0.05 0.84 0.15 0.00 -0.03 0.00 0.00 56.01 57.01 2kma n LEU 174 Cb 0.49 -1.49 0.74 0.00 -2.33 0.00 0.00 43.42 40.83 2kma n LEU 174 CO 0.70 0.03 1.01 -0.90 -1.33 0.00 0.00 177.39 176.90 2kma n ASP 175 N 7.82 0.00 0.00 -1.43 5.75 -1.26 -3.68 116.55 123.74 2kma n ASP 175 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 2kma n ASP 175 Cb 0.38 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kma n HIS 176 N -1.32 0.00 -0.75 2.11 8.25 -1.26 -4.78 115.22 117.48 2kma n HIS 176 Ca 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.67 2kma n HIS 176 Cb 0.26 -0.02 0.28 0.00 1.12 0.00 0.00 29.99 31.63 2kma n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kma n GLY 177 N -1.99 3.37 3.05 -1.41 0.00 -1.26 -4.21 105.19 102.74 2kma n GLY 177 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.26 0.45 0.84 1.61 3.52 -1.26 -5.08 118.95 116.77 2kma s ARG 178 Ca 0.42 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 55.29 2kma s ARG 178 Cb 0.31 0.17 0.18 0.00 -1.56 0.00 0.00 34.95 34.05 2kma s ARG 178 CO 0.15 -0.09 1.15 -2.37 -0.81 0.00 0.00 175.30 173.32 2kma n THR 179 N 1.24 0.00 -0.05 4.11 5.66 -1.26 -3.51 114.28 120.46 2kma n THR 179 Ca -0.22 -1.21 -0.21 0.00 -3.05 0.00 0.00 64.05 59.37 2kma n THR 179 Cb 0.56 -1.25 -0.13 0.00 -1.55 0.00 0.00 70.33 67.97 2kma n THR 179 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kma n LEU 180 N 0.00 2.70 0.29 1.09 4.77 -1.26 -3.86 117.00 120.73 2kma n LEU 180 Ca 0.16 0.10 0.15 0.00 -0.03 0.00 0.00 56.01 56.39 2kma n LEU 180 Cb 0.57 -1.03 0.90 0.00 -2.33 0.00 0.00 43.42 41.53 2kma n LEU 180 CO 0.40 0.85 1.11 0.03 -1.33 0.00 0.00 177.39 178.45 2kma h ARG 181 N -0.05 0.00 0.00 3.23 3.08 -1.89 -0.29 114.38 118.45 2kma h ARG 181 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 2kma h ARG 181 Cb 1.93 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.98 2kma h ARG 181 CO -0.01 0.01 -0.14 1.49 -1.07 0.00 0.00 179.97 180.25 2kma h GLU 182 N 0.00 0.00 0.00 0.04 4.57 -1.88 -2.87 114.58 114.44 2kma h GLU 182 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kma h GLU 182 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kma h GLU 182 CO 0.00 0.14 -0.73 1.04 -1.18 0.00 0.00 179.01 178.28 2kma n GLN 183 N -3.33 2.02 -3.07 1.92 6.02 -0.19 -5.00 117.38 115.75 2kma n GLN 183 Ca -0.00 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 2kma n GLN 183 Cb 0.35 -1.21 0.04 0.00 1.02 0.00 0.00 30.24 30.45 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 1.36 0.17 3.83 1.08 0.00 -0.77 -5.01 105.19 105.85 2kma n GLY 184 Ca 0.03 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.17 4.65 0.00 1.61 -7.23 -1.20 -5.07 120.40 110.00 2kma s VAL 185 Ca 0.30 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.56 2kma s VAL 185 Cb -0.13 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2kma s VAL 185 CO 0.38 0.05 0.00 -0.62 -0.31 0.00 0.00 175.10 174.60 2kma n GLU 186 N 0.28 2.38 -0.46 4.82 -0.58 -1.26 -4.87 120.64 120.95 2kma n GLU 186 Ca -0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2kma n GLU 186 Cb 0.52 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.60 2kma n GLU 186 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kma n GLU 187 N -0.31 2.14 0.00 3.49 4.71 -1.26 -4.59 120.64 124.82 2kma n GLU 187 Ca 0.00 -2.90 0.00 0.00 -0.01 0.00 0.00 57.16 54.25 2kma n GLU 187 Cb 0.00 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.69 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2kma n HIS 188 N -0.95 0.00 -3.24 -0.32 1.44 -1.26 -4.69 115.22 106.21 2kma n HIS 188 Ca 0.23 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.61 2kma n HIS 188 Cb 0.86 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.91 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 -0.41 3.98 -0.15 -1.40 8.01 -1.26 -5.04 118.70 122.42 2kma s GLU 189 Ca 0.00 0.56 -0.29 0.00 0.01 0.00 0.00 54.97 55.24 2kma s GLU 189 Cb 0.00 -2.62 -0.01 0.00 -4.31 0.00 0.00 34.13 27.19 2kma s GLU 189 CO 0.00 0.28 1.06 0.99 0.01 0.00 0.00 175.26 177.60 2kma s THR 190 N -1.80 4.65 -0.10 3.63 2.01 -1.22 -4.46 115.64 118.34 2kma s THR 190 Ca 0.48 1.95 -0.02 0.00 0.31 0.00 0.00 61.69 64.42 2kma s THR 190 Cb -0.12 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.10 2kma s THR 190 CO 0.19 -0.08 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.26 2kma s LEU 191 N 2.60 3.39 -0.05 4.42 2.01 0.57 -1.96 118.68 129.66 2kma s LEU 191 Ca 0.48 0.02 0.04 0.00 0.01 0.00 0.00 54.13 54.69 2kma s LEU 191 Cb -0.18 -1.78 -0.02 0.00 0.01 0.00 0.00 46.19 44.22 2kma s LEU 191 CO 0.14 0.31 -0.17 -0.76 1.01 0.00 0.00 176.35 176.88 2kma s LEU 192 N -0.47 2.60 -0.16 1.79 1.43 0.12 -0.80 118.68 123.19 2kma s LEU 192 Ca 0.08 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 2kma s LEU 192 Cb -0.12 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2kma s LEU 192 CO 0.02 0.33 0.59 -0.22 0.23 0.00 0.00 176.35 177.29 2kma s LEU 193 N -0.62 4.20 0.04 1.79 0.20 -0.06 -1.21 118.68 123.03 2kma s LEU 193 Ca 0.09 0.85 0.08 0.00 0.69 0.00 0.00 54.13 55.85 2kma s LEU 193 Cb -0.11 -2.85 -0.03 0.00 -0.43 0.00 0.00 46.19 42.78 2kma s LEU 193 CO 0.01 -0.17 -0.24 -0.13 -0.29 0.00 0.00 176.35 175.52 2kma s ARG 194 N 1.42 1.62 -0.30 1.98 1.81 -0.36 -4.12 118.95 121.00 2kma s ARG 194 Ca 0.29 -1.04 -0.23 0.00 -1.72 0.00 0.00 55.73 53.02 2kma s ARG 194 Cb -0.16 -1.78 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 2kma s ARG 194 CO 0.11 0.46 0.79 0.50 -0.68 0.00 0.00 175.30 176.48 2kma s ARG 195 N -1.21 3.97 -0.15 3.54 3.52 -1.26 -0.76 118.95 126.60 2kma s ARG 195 Ca 0.10 0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 56.17 2kma s ARG 195 Cb -0.09 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.48 2kma s ARG 195 CO 0.02 -0.67 0.08 -0.22 -0.81 0.00 0.00 175.30 173.69 2kma h LYS 196 N 8.11 0.00 -6.28 5.12 3.64 -0.49 -3.46 116.57 123.20 2kma h LYS 196 Ca -0.24 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.68 2kma h LYS 196 Cb 1.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2kma h LYS 196 CO 0.88 0.35 -0.37 -0.06 -2.27 0.00 0.00 179.45 177.98 2kma s PHE 197 N -2.09 3.11 -0.07 1.91 0.08 -0.91 -5.02 117.98 114.98 2kma s PHE 197 Ca -0.15 -0.21 0.11 0.00 0.12 0.00 0.00 56.93 56.80 2kma s PHE 197 Cb 0.02 -1.91 0.16 0.00 -0.57 0.00 0.00 43.02 40.72 2kma s PHE 197 CO 0.31 0.07 1.07 1.19 -0.10 0.00 0.00 175.22 177.77 2kma n PHE 198 N -1.56 0.00 0.29 0.36 3.72 -1.26 -4.74 117.46 114.27 2kma n PHE 198 Ca -0.01 -0.58 0.17 0.00 -0.05 0.00 0.00 57.45 56.98 2kma n PHE 198 Cb 0.58 -0.11 0.87 0.00 -0.94 0.00 0.00 39.48 39.89 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 0.00 0.00 -5.47 1.38 -0.00 -1.96 -3.47 116.97 107.45 2kma h TYR 199 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.73 58.42 2kma h TYR 199 Cb 1.14 0.00 0.16 0.00 0.00 0.00 0.00 36.73 38.03 2kma h TYR 199 CO 0.04 0.05 -0.74 0.43 -0.00 0.00 0.00 178.16 177.93 2kma n SER 200 N -3.29 -2.43 -2.66 0.10 7.64 -1.26 -1.76 113.62 109.96 2kma n SER 200 Ca -0.01 -0.60 -0.19 0.00 1.01 0.00 0.00 58.87 59.07 2kma n SER 200 Cb 0.21 -4.93 0.00 0.00 -1.01 0.00 0.00 64.21 58.48 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -3.04 -5.21 0.00 6.43 2.03 -1.26 -5.16 116.55 110.34 2kma n ASP 201 Ca -0.26 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2kma n ASP 201 Cb 0.66 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 2kma n ASP 201 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28