#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 4.21 -2.71 -0.61 5.41 -1.26 -4.99 119.36 119.40 2kma n ILE -4 Ca 0.00 -4.45 -0.36 0.00 1.00 0.00 0.00 62.75 58.94 2kma n ILE -4 Cb 0.00 -2.43 -0.06 0.00 -0.71 0.00 0.00 39.64 36.45 2kma n ILE -4 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2kma s ASP -3 N 2.34 7.02 -0.39 4.38 1.01 -1.26 -4.98 116.67 124.79 2kma s ASP -3 Ca 0.43 1.86 -0.29 0.00 0.71 0.00 0.00 52.55 55.26 2kma s ASP -3 Cb 0.03 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.41 2kma s ASP -3 CO 0.01 -0.30 1.26 -2.16 0.21 0.00 0.00 175.17 174.19 2kma s PRO -2 N -2.53 3.76 -0.69 8.23 0.04 -1.26 -4.95 135.00 137.60 2kma s PRO -2 Ca 0.56 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.57 2kma s PRO -2 Cb -0.17 -3.92 0.17 0.00 0.04 0.00 0.00 34.50 30.62 2kma s PRO -2 CO 0.22 -1.32 0.49 -0.06 0.04 0.00 0.00 177.00 176.37 2kma s PHE -1 N 4.66 3.45 0.00 0.56 0.08 -1.26 -5.04 117.98 120.44 2kma s PHE -1 Ca 0.54 -3.29 0.00 0.00 0.12 0.00 0.00 56.93 54.30 2kma s PHE -1 Cb -0.12 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2kma s PHE -1 CO 0.28 -0.56 0.00 0.25 -0.10 0.00 0.00 175.22 175.09 2kma n THR 0 N 2.00 0.00 -0.80 0.64 -2.24 -1.26 -4.84 114.28 107.78 2kma n THR 0 Ca 0.20 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.88 2kma n THR 0 Cb 0.36 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 2kma n THR 0 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kma n MET 1 N 0.00 1.56 -3.17 -0.78 1.56 -1.26 -4.25 117.12 110.78 2kma n MET 1 Ca 0.00 -0.96 -0.22 0.00 -0.27 0.00 0.00 57.70 56.25 2kma n MET 1 Cb 0.00 -1.46 -0.05 0.00 2.15 0.00 0.00 33.22 33.86 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 1.07 0.50 -3.24 1.12 0.24 -1.26 -4.96 118.33 111.79 2kma n VAL 2 Ca 0.21 -4.66 -0.17 0.00 -2.04 0.00 0.00 64.34 57.69 2kma n VAL 2 Cb 0.58 -1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 31.75 2kma n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kma s ALA 3 N -2.26 -0.32 0.06 2.33 0.00 -1.26 -3.91 121.76 116.41 2kma s ALA 3 Ca 0.40 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 2kma s ALA 3 Cb 0.27 -2.08 -0.16 0.00 0.00 0.00 0.00 23.12 21.15 2kma s ALA 3 CO -0.09 -2.12 0.74 1.28 0.00 0.00 0.00 175.76 175.56 2kma n LEU 4 N 3.58 -0.35 -4.41 0.00 4.77 0.88 -4.34 117.00 117.13 2kma n LEU 4 Ca 0.18 0.96 -0.44 0.00 -0.03 0.00 0.00 56.01 56.67 2kma n LEU 4 Cb 0.48 -0.77 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 2kma n LEU 4 CO 0.06 -1.89 0.15 -0.94 -1.33 0.00 0.00 177.39 173.44 2kma s SER 5 N -0.28 6.18 -0.09 -1.43 1.04 -1.26 -1.26 113.70 116.59 2kma s SER 5 Ca 0.68 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2kma s SER 5 Cb -0.96 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 62.92 2kma s SER 5 CO 0.47 -0.75 -0.18 -0.76 0.98 0.00 0.00 173.24 173.01 2kma s LEU 6 N 2.02 2.49 -0.44 2.42 1.43 0.73 -0.94 118.68 126.38 2kma s LEU 6 Ca 0.08 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 2kma s LEU 6 Cb -0.23 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.50 2kma s LEU 6 CO 0.08 0.22 0.78 -0.54 0.23 0.00 0.00 176.35 177.12 2kma s LYS 7 N 0.03 3.44 -0.36 1.70 1.02 -0.61 -0.88 119.74 124.07 2kma s LYS 7 Ca -0.06 -0.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.64 2kma s LYS 7 Cb -0.15 -3.93 0.01 0.00 -0.52 0.00 0.00 37.83 33.24 2kma s LYS 7 CO 0.05 -1.09 0.69 0.42 -0.92 0.00 0.00 175.35 174.50 2kma s ILE 8 N 3.27 4.83 -0.34 2.17 1.09 0.24 0.46 121.20 132.92 2kma s ILE 8 Ca 0.30 0.68 -0.15 0.00 -1.10 0.00 0.00 60.65 60.37 2kma s ILE 8 Cb -0.12 -4.13 -0.01 0.00 -1.06 0.00 0.00 42.46 37.14 2kma s ILE 8 CO 0.22 -0.37 0.36 -0.94 -0.10 0.00 0.00 174.94 174.12 2kma s SER 9 N 1.82 6.18 -0.71 3.58 1.04 -1.06 0.01 113.70 124.56 2kma s SER 9 Ca 0.27 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 2kma s SER 9 Cb -0.14 -2.20 0.18 0.00 0.10 0.00 0.00 66.02 63.96 2kma s SER 9 CO 0.16 -0.34 0.55 -0.63 0.98 0.00 0.00 173.24 173.96 2kma s ILE 10 N 2.03 4.07 0.00 -1.02 1.01 0.62 -2.03 121.20 125.88 2kma s ILE 10 Ca 0.12 -3.12 0.00 0.00 0.00 0.00 0.00 60.65 57.65 2kma s ILE 10 Cb -0.16 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2kma s ILE 10 CO 0.12 -0.94 0.00 0.61 0.00 0.00 0.00 174.94 174.72 2kma n GLY 11 N 3.27 0.78 0.12 6.18 0.00 -1.26 -2.36 105.19 111.92 2kma n GLY 11 Ca 0.12 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.46 2kma n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kma n ASN 12 N 4.74 2.05 -4.80 1.61 5.15 -1.26 -5.00 115.26 117.75 2kma n ASN 12 Ca 0.00 -0.12 -0.35 0.00 -0.60 0.00 0.00 54.58 53.51 2kma n ASN 12 Cb 0.00 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 38.87 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kma s VAL 13 N -2.48 4.30 -0.17 3.44 0.11 -0.99 -5.05 120.40 119.56 2kma s VAL 13 Ca -0.31 1.66 0.01 0.00 -2.93 0.00 0.00 61.98 60.40 2kma s VAL 13 Cb 0.08 -3.82 0.02 0.00 -1.53 0.00 0.00 36.38 31.13 2kma s VAL 13 CO 0.56 -0.07 -0.17 0.54 -3.33 0.00 0.00 175.10 172.64 2kma s VAL 14 N -1.87 1.83 0.03 2.04 0.11 -1.26 -0.27 120.40 121.01 2kma s VAL 14 Ca 0.55 -0.83 0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2kma s VAL 14 Cb -0.14 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 2kma s VAL 14 CO 0.19 0.47 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.79 2kma s LYS 15 N 1.38 2.36 -0.27 1.54 -0.14 0.10 -4.94 119.74 119.77 2kma s LYS 15 Ca 0.04 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 53.72 2kma s LYS 15 Cb -0.13 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 2kma s LYS 15 CO -0.12 0.57 0.13 0.99 -0.76 0.00 0.00 175.35 176.17 2kma s THR 16 N -1.02 4.78 0.02 2.17 2.01 -1.26 0.81 115.64 123.15 2kma s THR 16 Ca 0.17 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2kma s THR 16 Cb -0.11 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2kma s THR 16 CO 0.08 0.26 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.10 2kma s MET 17 N 1.68 0.90 -0.08 4.92 -1.94 -0.06 -4.98 119.30 119.74 2kma s MET 17 Ca 0.06 -0.63 0.00 0.00 -1.71 0.00 0.00 55.69 53.42 2kma s MET 17 Cb -0.16 -0.88 -0.03 0.00 2.01 0.00 0.00 34.83 35.77 2kma s MET 17 CO 0.07 0.22 -0.07 -0.65 -0.01 0.00 0.00 175.02 174.59 2kma s GLN 18 N -0.85 2.83 0.10 2.03 -0.21 -1.26 -0.19 119.66 122.12 2kma s GLN 18 Ca 0.02 -0.55 0.04 0.00 0.02 0.00 0.00 55.36 54.89 2kma s GLN 18 Cb -0.07 -2.61 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 2kma s GLN 18 CO 0.01 0.62 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.63 2kma s PHE 19 N -0.69 1.12 0.88 0.91 0.08 -0.39 -4.92 117.98 114.97 2kma s PHE 19 Ca 0.10 -0.63 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 2kma s PHE 19 Cb -0.11 -0.61 0.12 0.00 -0.57 0.00 0.00 43.02 41.85 2kma s PHE 19 CO 0.02 0.03 1.13 -1.21 -0.10 0.00 0.00 175.22 175.08 2kma s GLU 20 N -2.73 1.32 0.23 0.44 2.02 -1.26 -0.08 118.70 118.64 2kma s GLU 20 Ca 0.06 1.41 -0.06 0.00 0.02 0.00 0.00 54.97 56.40 2kma s GLU 20 Cb -0.03 -1.77 0.40 0.00 0.10 0.00 0.00 34.13 32.82 2kma s GLU 20 CO 0.01 -2.38 1.75 -1.35 0.02 0.00 0.00 175.26 173.31 2kma h PRO 21 N -1.68 0.48 0.00 0.39 0.11 -1.96 -3.24 132.00 126.10 2kma h PRO 21 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kma h PRO 21 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kma h PRO 21 CO 0.45 0.32 0.00 0.43 -0.21 0.00 0.00 178.00 178.99 2kma n SER 22 N -4.95 0.00 0.00 -2.05 7.64 -1.26 -1.30 113.62 111.70 2kma n SER 22 Ca 0.13 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2kma n SER 22 Cb 0.35 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kma n SER 22 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kma n THR 23 N -1.55 0.00 -0.19 0.44 -1.04 -1.22 -1.62 114.28 109.09 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 -0.54 -0.33 -2.82 1.56 -1.26 -4.16 117.12 109.58 2kma n MET 24 Ca 0.00 0.39 0.18 0.00 -0.27 0.00 0.00 57.70 58.00 2kma n MET 24 Cb 0.00 -0.43 0.35 0.00 2.15 0.00 0.00 33.22 35.29 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 0.28 0.10 -0.01 1.12 2.07 -1.75 0.21 116.25 118.27 2kma h VAL 25 Ca 0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 2kma h VAL 25 Cb 0.00 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2kma h VAL 25 CO 0.00 0.01 -0.40 0.10 0.02 0.00 0.00 177.57 177.31 2kma h TYR 26 N 0.06 0.01 0.05 1.57 -0.00 -1.86 0.16 116.97 116.97 2kma h TYR 26 Ca 0.64 -0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 59.13 2kma h TYR 26 Cb 1.41 -0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.13 2kma h TYR 26 CO -0.34 0.41 -1.04 0.22 -0.00 0.00 0.00 178.16 177.41 2kma h ASP 27 N 0.01 0.38 -0.01 0.10 3.58 -0.80 -3.17 116.42 116.51 2kma h ASP 27 Ca -0.00 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2kma h ASP 27 Cb 0.71 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2kma h ASP 27 CO 0.05 1.20 0.00 0.00 -2.88 0.00 0.00 179.24 177.61 2kma h ALA 28 N 0.76 0.01 0.00 -0.78 0.00 -0.34 -2.84 119.26 116.07 2kma h ALA 28 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2kma h ALA 28 Cb 1.71 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2kma h ALA 28 CO 0.17 -0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.00 2kma h ARG 30 N 0.00 0.67 0.09 0.00 0.11 -1.50 -3.04 114.38 110.72 2kma h ARG 30 Ca -0.00 -0.73 -0.23 0.00 0.10 0.00 0.00 59.98 59.12 2kma h ARG 30 Cb 0.18 0.21 0.02 0.00 1.11 0.00 0.00 29.97 31.49 2kma h ARG 30 CO 0.01 1.31 -0.97 0.52 0.10 0.00 0.00 179.97 180.93 2kma h MET 31 N 0.34 0.50 -0.76 0.08 2.86 -1.15 -2.68 114.93 114.12 2kma h MET 31 Ca -0.12 -0.66 -0.03 0.00 -2.06 0.00 0.00 59.70 56.83 2kma h MET 31 Cb 1.66 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 33.50 2kma h MET 31 CO 0.20 1.28 0.34 0.97 1.06 0.00 0.00 176.91 180.76 2kma h ILE 32 N 0.03 1.25 0.00 -1.22 2.10 -1.15 0.42 117.51 118.93 2kma h ILE 32 Ca -0.15 -0.72 -0.02 0.00 1.08 0.00 0.00 64.86 65.05 2kma h ILE 32 Cb 1.69 0.32 -0.00 0.00 -1.09 0.00 0.00 36.82 37.73 2kma h ILE 32 CO 0.19 0.30 -0.11 -0.09 -1.08 0.00 0.00 178.15 177.35 2kma h ARG 33 N 1.07 0.00 0.30 2.19 2.43 -1.60 0.73 114.38 119.51 2kma h ARG 33 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2kma h ARG 33 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2kma h ARG 33 CO -0.03 0.11 -0.15 1.49 -1.51 0.00 0.00 179.97 179.89 2kma h GLU 34 N 0.00 -0.39 0.00 0.20 4.81 -0.60 -3.37 114.58 115.23 2kma h GLU 34 Ca -0.00 0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 2kma h GLU 34 Cb 0.23 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2kma h GLU 34 CO 0.01 -0.26 -0.96 0.07 -0.73 0.00 0.00 179.01 177.15 2kma h ARG 35 N -0.98 0.00 -4.35 1.92 -0.00 -1.33 -3.42 114.38 106.22 2kma h ARG 35 Ca -0.04 0.00 -0.73 0.00 -0.00 0.00 0.00 59.98 59.21 2kma h ARG 35 Cb 0.31 0.00 -0.25 0.00 -0.00 0.00 0.00 29.97 30.03 2kma h ARG 35 CO 0.07 0.61 -0.38 0.42 -0.00 0.00 0.00 179.97 180.69 2kma s ILE 36 N -2.84 4.79 0.00 0.08 1.01 0.25 -4.93 121.20 119.56 2kma s ILE 36 Ca 0.01 -1.25 0.32 0.00 0.00 0.00 0.00 60.65 59.73 2kma s ILE 36 Cb 0.09 -3.91 0.37 0.00 0.01 0.00 0.00 42.46 39.01 2kma s ILE 36 CO 0.79 -0.58 1.94 -0.65 0.00 0.00 0.00 174.94 176.44 2kma h PRO 37 N 8.61 0.00 0.00 2.79 0.11 -1.81 -2.65 132.00 139.06 2kma h PRO 37 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2kma h PRO 37 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2kma h PRO 37 CO 0.84 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 2kma n GLU 38 N -2.98 0.27 0.08 1.05 4.71 -1.26 -3.49 120.64 119.02 2kma n GLU 38 Ca 0.01 0.05 -0.15 0.00 -0.01 0.00 0.00 57.16 57.06 2kma n GLU 38 Cb 0.31 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.15 2kma n GLU 38 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kma h ALA 39 N 3.13 0.24 -2.13 0.62 0.00 -1.77 -3.38 119.26 115.98 2kma h ALA 39 Ca 0.00 -0.78 -0.77 0.00 0.00 0.00 0.00 54.91 53.37 2kma h ALA 39 Cb 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.78 2kma h ALA 39 CO 0.00 0.86 0.45 1.47 0.00 0.00 0.00 179.25 182.03 2kma n LEU 40 N -3.67 5.71 0.00 0.00 -0.00 -1.23 -4.73 117.00 113.07 2kma n LEU 40 Ca -0.08 -5.22 0.12 0.00 -0.00 0.00 0.00 56.01 50.83 2kma n LEU 40 Cb 0.91 -1.19 0.65 0.00 -0.00 0.00 0.00 43.42 43.80 2kma n LEU 40 CO 0.53 1.69 0.88 0.00 -0.00 0.00 0.00 177.39 180.49 2kma n ALA 41 N 1.51 2.30 -2.05 1.47 0.00 -1.26 -4.84 120.51 117.64 2kma n ALA 41 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kma n ALA 41 Cb 0.35 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.55 3.72 3.71 0.00 0.00 -1.26 -5.13 105.19 106.77 2kma n GLY 42 Ca 0.15 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kma n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kma s PRO 43 N 4.85 4.50 0.52 1.61 0.05 -1.26 -4.95 135.00 140.32 2kma s PRO 43 Ca 0.00 1.25 0.25 0.00 0.05 0.00 0.00 61.00 62.55 2kma s PRO 43 Cb 0.00 -3.47 1.36 0.00 0.05 0.00 0.00 34.50 32.44 2kma s PRO 43 CO 0.00 -0.06 1.96 -1.00 0.05 0.00 0.00 177.00 177.95 2kma h PRO 44 N 6.84 0.06 0.00 0.56 0.13 -1.94 -0.06 132.00 137.60 2kma h PRO 44 Ca -0.39 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2kma h PRO 44 Cb 1.20 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kma h PRO 44 CO 0.76 0.04 -0.04 -2.95 -0.23 0.00 0.00 178.00 175.59 2kma h ASN 45 N 0.07 0.00 -0.05 1.44 7.08 -2.01 -1.91 115.58 120.19 2kma h ASN 45 Ca 0.31 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 2kma h ASN 45 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 2kma h ASN 45 CO -0.02 0.04 0.00 0.47 -2.08 0.00 0.00 177.43 175.83 2kma n ASP 46 N -3.18 1.81 -4.38 6.14 9.92 -0.04 -4.84 116.55 121.98 2kma n ASP 46 Ca -0.00 -1.62 -0.33 0.00 -0.53 0.00 0.00 54.79 52.30 2kma n ASP 46 Cb 0.27 -0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 40.58 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 -1.95 2.81 0.26 1.24 0.08 -0.72 0.47 117.98 120.18 2kma s PHE 47 Ca 0.36 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.83 2kma s PHE 47 Cb 0.20 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2kma s PHE 47 CO 0.32 -0.20 0.16 0.41 -0.10 0.00 0.00 175.22 175.82 2kma n GLY 48 N 3.49 3.32 3.48 4.36 0.00 -0.19 -4.79 105.19 114.87 2kma n GLY 48 Ca -0.18 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 4.92 -0.21 0.99 1.43 -1.26 -2.43 118.68 122.12 2kma s LEU 49 Ca 0.23 -0.75 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2kma s LEU 49 Cb 0.01 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2kma s LEU 49 CO 0.16 -0.38 0.09 0.12 0.23 0.00 0.00 176.35 176.58 2kma s PHE 50 N 1.70 3.24 -0.44 0.29 5.36 -0.03 0.23 117.98 128.32 2kma s PHE 50 Ca 0.05 0.02 -0.20 0.00 -0.96 0.00 0.00 56.93 55.85 2kma s PHE 50 Cb -0.18 -2.17 0.03 0.00 -0.34 0.00 0.00 43.02 40.35 2kma s PHE 50 CO 0.10 0.02 0.61 -1.17 -1.46 0.00 0.00 175.22 173.32 2kma s LEU 51 N 0.84 4.61 -0.33 6.12 1.98 -0.41 -0.29 118.68 131.19 2kma s LEU 51 Ca 0.05 -0.46 -0.20 0.00 -2.89 0.00 0.00 54.13 50.63 2kma s LEU 51 Cb -0.13 -2.64 -0.00 0.00 0.66 0.00 0.00 46.19 44.08 2kma s LEU 51 CO 0.02 -0.76 0.62 -0.55 -1.89 0.00 0.00 176.35 173.80 2kma s SER 52 N 2.04 6.45 -0.08 3.68 0.15 -1.25 -3.03 113.70 121.66 2kma s SER 52 Ca 0.20 0.25 -0.07 0.00 0.70 0.00 0.00 55.95 57.04 2kma s SER 52 Cb -0.15 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2kma s SER 52 CO 0.17 -0.53 -0.13 -0.67 1.20 0.00 0.00 173.24 173.28 2kma n ASP 53 N 5.95 0.88 0.00 5.45 2.03 -1.26 -4.78 116.55 124.82 2kma n ASP 53 Ca -0.01 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2kma n ASP 53 Cb 0.49 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 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 -3.40 0.00 -4.77 1.67 2.03 -1.26 -5.06 116.55 105.76 2kma n ASP 54 Ca -0.05 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.86 2kma n ASP 54 Cb 0.19 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.54 2kma n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kma s ASP 55 N 0.00 7.41 0.51 1.67 2.15 -1.26 -4.96 116.67 122.19 2kma s ASP 55 Ca 0.00 1.67 0.19 0.00 0.43 0.00 0.00 52.55 54.84 2kma s ASP 55 Cb 0.00 -2.51 1.27 0.00 -0.30 0.00 0.00 42.92 41.38 2kma s ASP 55 CO 0.00 0.18 2.06 1.55 -0.17 0.00 0.00 175.17 178.79 2kma h PRO 56 N 4.45 0.08 0.24 4.34 0.13 -1.92 0.44 132.00 139.75 2kma h PRO 56 Ca -0.46 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2kma h PRO 56 Cb 1.21 -0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.35 2kma h PRO 56 CO 0.67 0.05 -1.56 0.87 -0.23 0.00 0.00 178.00 177.80 2kma h LYS 57 N 0.08 0.50 0.00 0.86 1.79 -1.94 -3.28 116.57 114.59 2kma h LYS 57 Ca 0.14 -0.86 -0.08 0.00 -2.18 0.00 0.00 60.65 57.67 2kma h LYS 57 Cb 0.47 0.32 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 2kma h LYS 57 CO -0.01 1.41 -0.38 0.87 -1.08 0.00 0.00 179.45 180.26 2kma h LYS 58 N 0.14 0.00 -6.84 3.15 1.57 -1.84 -3.44 116.57 109.31 2kma h LYS 58 Ca -0.28 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 2kma h LYS 58 Cb 2.16 0.00 0.04 0.00 0.08 0.00 0.00 32.23 34.51 2kma h LYS 58 CO 0.25 0.38 0.56 0.20 -0.57 0.00 0.00 179.45 180.27 2kma s GLY 59 N -4.35 3.01 0.10 3.86 0.00 0.10 -4.78 107.32 105.26 2kma s GLY 59 Ca -0.00 1.08 -0.05 0.00 0.00 0.00 0.00 44.72 45.74 2kma s GLY 59 CO 0.69 1.73 0.12 -0.26 0.00 0.00 0.00 173.10 175.38 2kma s ILE 60 N -1.09 0.15 -0.05 0.90 -5.25 -1.17 -4.95 121.20 109.74 2kma s ILE 60 Ca 0.47 -1.50 -0.14 0.00 -0.99 0.00 0.00 60.65 58.49 2kma s ILE 60 Cb -0.36 -1.58 -0.05 0.00 2.95 0.00 0.00 42.46 43.42 2kma s ILE 60 CO 0.47 -0.67 0.37 0.26 -1.79 0.00 0.00 174.94 173.57 2kma s TRP 61 N -3.92 3.65 -0.44 1.37 0.52 -1.26 -1.29 118.94 117.56 2kma s TRP 61 Ca 0.10 0.86 -0.21 0.00 0.02 0.00 0.00 56.10 56.87 2kma s TRP 61 Cb 0.06 -2.29 0.03 0.00 -1.15 0.00 0.00 33.47 30.12 2kma s TRP 61 CO -0.07 0.54 0.69 -0.51 0.02 0.00 0.00 176.95 177.61 2kma s LEU 62 N -0.63 4.43 0.46 2.99 1.43 0.14 -4.93 118.68 122.57 2kma s LEU 62 Ca 0.22 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2kma s LEU 62 Cb -0.15 -2.79 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2kma s LEU 62 CO 0.10 -0.83 0.81 -1.83 0.23 0.00 0.00 176.35 174.84 2kma s GLU 63 N 2.97 3.67 0.29 1.70 -1.05 -1.26 -4.28 118.70 120.74 2kma s GLU 63 Ca 0.25 0.41 0.24 0.00 -0.15 0.00 0.00 54.97 55.71 2kma s GLU 63 Cb -0.14 -2.34 1.05 0.00 -0.44 0.00 0.00 34.13 32.27 2kma s GLU 63 CO 0.20 -0.17 1.71 0.00 0.95 0.00 0.00 175.26 177.96 2kma n ALA 64 N -1.83 1.50 1.61 -0.84 0.00 -1.26 -2.47 120.51 117.23 2kma n ALA 64 Ca 0.02 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.60 2kma n ALA 64 Cb 0.54 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.33 -0.41 3.22 0.00 0.00 -1.26 -4.55 105.19 101.87 2kma n GLY 65 Ca 0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.83 0.90 0.60 1.61 0.00 -1.03 -5.12 119.74 114.87 2kma s LYS 66 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 54.99 2kma s LYS 66 Cb 0.04 0.34 0.06 0.00 0.00 0.00 0.00 37.83 38.26 2kma s LYS 66 CO 0.05 -0.29 0.85 0.00 0.00 0.00 0.00 175.35 175.96 2kma s ALA 67 N -3.90 3.81 -0.06 0.59 0.00 -1.26 -3.45 121.76 117.49 2kma s ALA 67 Ca 0.09 -1.41 -0.17 0.00 0.00 0.00 0.00 51.96 50.47 2kma s ALA 67 Cb 0.05 -2.09 -0.12 0.00 0.00 0.00 0.00 23.12 20.96 2kma s ALA 67 CO -0.08 -0.97 0.67 -0.07 0.00 0.00 0.00 175.76 175.32 2kma h LEU 68 N -0.13 -0.21 -1.86 0.00 3.38 -1.39 -3.28 115.31 111.82 2kma h LEU 68 Ca -0.41 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.31 2kma h LEU 68 Cb 1.29 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2kma h LEU 68 CO 0.50 0.34 0.00 -0.78 0.09 0.00 0.00 178.44 178.58 2kma h ASP 69 N -0.96 0.00 -0.82 -0.43 3.58 -1.41 -1.95 116.42 114.43 2kma h ASP 69 Ca -0.03 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.56 2kma h ASP 69 Cb 0.45 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 2kma h ASP 69 CO 0.04 0.00 0.54 0.22 -2.88 0.00 0.00 179.24 177.16 2kma h TYR 70 N 0.00 0.71 0.00 0.28 3.20 -1.79 -3.41 116.97 115.97 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 0.23 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2kma h TYR 70 CO 0.00 0.28 0.00 0.66 -1.64 0.00 0.00 178.16 177.46 2kma n TYR 71 N -4.52 0.00 -0.75 -3.82 4.02 -0.73 -4.96 117.16 106.40 2kma n TYR 71 Ca 0.15 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.12 2kma n TYR 71 Cb 0.45 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 40.03 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kma n MET 72 N 0.00 3.22 -2.85 -0.72 2.81 -1.26 -5.02 117.12 113.30 2kma n MET 72 Ca 0.00 -2.70 -0.40 0.00 -1.81 0.00 0.00 57.70 52.79 2kma n MET 72 Cb 0.00 -1.76 -0.06 0.00 -0.71 0.00 0.00 33.22 30.69 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 -2.27 4.62 0.00 4.03 1.43 -1.26 -5.00 118.68 120.23 2kma s LEU 73 Ca 0.40 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2kma s LEU 73 Cb 0.30 -3.47 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2kma s LEU 73 CO 0.13 0.17 0.00 -2.11 0.23 0.00 0.00 176.35 174.77 2kma n ARG 74 N 1.59 0.00 -1.55 1.70 -4.01 -1.26 -4.48 116.66 108.65 2kma n ARG 74 Ca -0.03 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.43 2kma n ARG 74 Cb 0.48 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.86 2kma n ARG 74 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2kma n ASN 75 N -1.07 2.26 0.00 2.89 5.03 -1.26 -2.29 115.26 120.82 2kma n ASN 75 Ca 0.00 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.89 2kma n ASN 75 Cb 0.00 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.18 2kma n ASN 75 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kma n GLY 76 N 6.06 0.59 3.77 7.41 0.00 -0.12 -4.87 105.19 118.04 2kma n GLY 76 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 2kma n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kma s ASP 77 N -0.53 7.42 -0.20 1.61 1.01 -0.97 -4.86 116.67 120.15 2kma s ASP 77 Ca 0.00 1.75 -0.19 0.00 0.71 0.00 0.00 52.55 54.82 2kma s ASP 77 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2kma s ASP 77 CO 0.00 0.12 0.53 -0.89 0.21 0.00 0.00 175.17 175.13 2kma s THR 78 N -1.30 5.09 -0.23 -1.27 2.01 -1.26 -1.57 115.64 117.12 2kma s THR 78 Ca 0.41 0.97 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2kma s THR 78 Cb -0.22 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.48 2kma s THR 78 CO 0.27 0.16 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.91 2kma s MET 79 N 1.70 2.36 -0.06 4.92 1.75 0.17 -3.82 119.30 126.33 2kma s MET 79 Ca 0.24 -1.10 -0.30 0.00 -1.25 0.00 0.00 55.69 53.29 2kma s MET 79 Cb -0.15 -2.70 -0.03 0.00 2.84 0.00 0.00 34.83 34.79 2kma s MET 79 CO 0.10 -0.45 1.15 -2.00 -0.65 0.00 0.00 175.02 173.16 2kma s GLU 80 N 1.22 4.38 -0.47 4.11 2.12 0.60 -2.56 118.70 128.11 2kma s GLU 80 Ca -0.04 1.60 -0.16 0.00 0.36 0.00 0.00 54.97 56.74 2kma s GLU 80 Cb -0.17 -3.54 0.07 0.00 0.26 0.00 0.00 34.13 30.74 2kma s GLU 80 CO -0.08 -0.39 0.39 -0.47 -0.54 0.00 0.00 175.26 174.17 2kma s TYR 81 N 2.07 3.24 0.28 5.30 5.04 -0.86 -0.85 117.35 131.56 2kma s TYR 81 Ca 0.54 -0.87 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 2kma s TYR 81 Cb -0.23 -3.11 -0.05 0.00 0.35 0.00 0.00 41.96 38.92 2kma s TYR 81 CO 0.22 -0.78 0.11 -0.98 -1.34 0.00 0.00 175.55 172.78 2kma s ARG 82 N 1.68 1.50 0.11 4.97 1.70 -1.02 -4.37 118.95 123.52 2kma s ARG 82 Ca 0.05 -1.83 -0.31 0.00 -0.47 0.00 0.00 55.73 53.17 2kma s ARG 82 Cb -0.23 -0.28 -0.09 0.00 -0.57 0.00 0.00 34.95 33.77 2kma s ARG 82 CO 0.07 -0.33 1.54 0.21 -1.08 0.00 0.00 175.30 175.71 2kma s LYS 83 N -3.96 4.24 0.45 3.89 2.20 -1.26 -1.02 119.74 124.27 2kma s LYS 83 Ca 0.37 2.26 0.18 0.00 -0.36 0.00 0.00 55.97 58.42 2kma s LYS 83 Cb 0.07 -3.35 1.14 0.00 -1.51 0.00 0.00 37.83 34.18 2kma s LYS 83 CO 0.15 -0.61 1.92 0.87 -0.36 0.00 0.00 175.35 177.32 2kma h LYS 84 N 7.36 0.31 -6.24 4.03 1.79 -0.28 -3.42 116.57 120.12 2kma h LYS 84 Ca -0.42 -0.02 -0.49 0.00 -2.18 0.00 0.00 60.65 57.54 2kma h LYS 84 Cb 1.20 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2kma h LYS 84 CO 0.91 0.21 -0.37 -0.65 -1.08 0.00 0.00 179.45 178.46 2kma s GLN 85 N -5.32 3.46 0.07 3.15 -0.21 -1.26 0.11 119.66 119.66 2kma s GLN 85 Ca -0.07 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 54.75 2kma s GLN 85 Cb 0.21 -2.85 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 2kma s GLN 85 CO 0.76 0.38 -0.08 -0.98 -2.12 0.00 0.00 175.29 173.26 2kma s ARG 86 N -3.81 0.67 -0.40 2.91 1.04 -0.81 -4.83 118.95 113.73 2kma s ARG 86 Ca 0.36 -1.00 -0.27 0.00 -1.04 0.00 0.00 55.73 53.78 2kma s ARG 86 Cb -0.10 -0.29 -0.04 0.00 -2.04 0.00 0.00 34.95 32.48 2kma s ARG 86 CO 0.30 0.03 2.04 -1.25 -0.04 0.00 0.00 175.30 176.38 2kma s PRO 87 N -2.48 2.88 -0.23 3.89 0.04 -1.26 -3.14 135.00 134.70 2kma s PRO 87 Ca -0.01 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 2kma s PRO 87 Cb -0.04 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2kma s PRO 87 CO -0.01 -2.40 0.12 -0.51 0.04 0.00 0.00 177.00 174.24 2kma s LEU 88 N 8.81 3.89 -0.39 -3.56 1.43 -0.55 -4.68 118.68 123.64 2kma s LEU 88 Ca 0.86 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 2kma s LEU 88 Cb -0.22 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2kma s LEU 88 CO 0.30 0.06 0.69 -0.54 0.23 0.00 0.00 176.35 177.09 2kma s LYS 89 N 1.10 3.59 -0.06 1.70 3.01 -1.26 -1.67 119.74 126.14 2kma s LYS 89 Ca 0.06 0.02 0.04 0.00 -1.01 0.00 0.00 55.97 55.08 2kma s LYS 89 Cb -0.14 -3.85 0.00 0.00 -1.01 0.00 0.00 37.83 32.83 2kma s LYS 89 CO 0.04 -0.86 -0.18 0.42 0.51 0.00 0.00 175.35 175.27 2kma s ILE 90 N 2.90 1.58 -0.21 2.17 -1.09 0.12 0.46 121.20 127.13 2kma s ILE 90 Ca 0.26 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 2kma s ILE 90 Cb -0.14 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 2kma s ILE 90 CO 0.17 0.45 0.02 -0.60 -1.23 0.00 0.00 174.94 173.75 2kma s ARG 91 N 0.22 3.65 0.84 2.79 3.52 -0.13 -0.36 118.95 129.49 2kma s ARG 91 Ca -0.10 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 2kma s ARG 91 Cb -0.14 -3.14 0.19 0.00 -1.56 0.00 0.00 34.95 30.30 2kma s ARG 91 CO 0.04 -0.00 1.14 -1.33 -0.81 0.00 0.00 175.30 174.34 2kma n MET 92 N 4.31 -0.89 -0.25 5.12 2.81 0.26 -0.72 117.12 127.77 2kma n MET 92 Ca -0.17 -2.05 -0.02 0.00 -1.81 0.00 0.00 57.70 53.64 2kma n MET 92 Cb 0.52 -1.08 0.09 0.00 -0.71 0.00 0.00 33.22 32.03 2kma n MET 92 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2kma h LEU 93 N 0.00 0.68 0.00 4.03 -0.00 -1.86 0.37 115.31 118.54 2kma h LEU 93 Ca -0.37 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2kma h LEU 93 Cb 1.10 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 2kma h LEU 93 CO 0.29 0.46 0.00 -0.67 -0.00 0.00 0.00 178.44 178.52 2kma n ASP 94 N -4.70 0.00 0.00 -0.43 2.03 -1.26 -4.83 116.55 107.37 2kma n ASP 94 Ca 0.08 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.68 2kma n ASP 94 Cb 0.12 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kma n GLY 95 N 0.62 0.96 3.70 0.27 0.00 0.13 -5.06 105.19 105.81 2kma n GLY 95 Ca 0.07 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.96 -0.11 2.61 2.01 -1.23 -4.68 115.64 117.21 2kma s THR 96 Ca 0.00 1.59 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 2kma s THR 96 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2kma s THR 96 CO 0.00 0.15 0.00 0.54 -0.69 0.00 0.00 174.62 174.62 2kma s VAL 97 N 1.39 4.33 0.06 3.82 0.11 -1.26 0.93 120.40 129.77 2kma s VAL 97 Ca 0.39 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2kma s VAL 97 Cb -0.18 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.79 2kma s VAL 97 CO 0.17 0.57 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.88 2kma s LYS 98 N -0.57 0.62 -0.26 1.54 -2.85 0.52 -4.97 119.74 113.77 2kma s LYS 98 Ca 0.10 -1.10 -0.04 0.00 -1.00 0.00 0.00 55.97 53.92 2kma s LYS 98 Cb -0.12 0.01 0.01 0.00 -2.06 0.00 0.00 37.83 35.67 2kma s LYS 98 CO 0.02 -0.05 0.00 0.99 0.10 0.00 0.00 175.35 176.41 2kma s THR 99 N -3.14 3.48 0.07 3.79 2.01 -1.26 -0.70 115.64 119.89 2kma s THR 99 Ca 0.03 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.39 2kma s THR 99 Cb 0.02 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2kma s THR 99 CO -0.06 0.21 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.33 2kma s ILE 100 N 1.44 2.00 -0.39 1.82 -1.16 -0.67 -4.87 121.20 119.37 2kma s ILE 100 Ca 0.03 -1.45 -0.21 0.00 -0.51 0.00 0.00 60.65 58.51 2kma s ILE 100 Cb -0.16 -1.74 0.01 0.00 0.61 0.00 0.00 42.46 41.18 2kma s ILE 100 CO -0.01 0.21 0.65 -0.04 -2.81 0.00 0.00 174.94 172.94 2kma s MET 101 N -1.51 3.54 -0.09 3.50 -1.94 -1.26 -1.49 119.30 120.05 2kma s MET 101 Ca 0.11 -0.08 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 2kma s MET 101 Cb -0.10 -3.86 -0.01 0.00 2.01 0.00 0.00 34.83 32.87 2kma s MET 101 CO 0.03 -0.85 -0.20 0.08 -0.01 0.00 0.00 175.02 174.07 2kma s VAL 102 N 2.79 2.45 0.20 -6.03 1.01 -1.19 -4.82 120.40 114.83 2kma s VAL 102 Ca 0.24 -0.90 -0.33 0.00 0.00 0.00 0.00 61.98 61.00 2kma s VAL 102 Cb -0.14 -1.96 -0.13 0.00 0.00 0.00 0.00 36.38 34.15 2kma s VAL 102 CO 0.17 0.56 1.57 -0.67 0.00 0.00 0.00 175.10 176.73 2kma n ASP 103 N 3.23 3.29 -0.27 3.32 2.03 -1.26 -1.92 116.55 124.98 2kma n ASP 103 Ca -0.18 1.10 0.13 0.00 0.52 0.00 0.00 54.79 56.36 2kma n ASP 103 Cb 0.53 -1.48 0.36 0.00 -0.72 0.00 0.00 41.12 39.81 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kma n ASP 104 N 3.11 1.10 -0.76 1.67 2.03 0.12 -3.85 116.55 119.98 2kma n ASP 104 Ca 0.15 -0.95 0.03 0.00 0.52 0.00 0.00 54.79 54.53 2kma n ASP 104 Cb 0.31 0.15 0.11 0.00 -0.72 0.00 0.00 41.12 40.98 2kma n ASP 104 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kma n SER 105 N -0.58 2.03 -3.95 1.67 2.88 -1.26 -4.78 113.62 109.63 2kma n SER 105 Ca 0.12 -2.19 -0.09 0.00 -1.33 0.00 0.00 58.87 55.38 2kma n SER 105 Cb 0.36 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.31 2kma n SER 105 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2kma s LYS 106 N -1.58 0.89 0.57 -1.46 0.00 -1.25 -5.05 119.74 111.86 2kma s LYS 106 Ca 0.16 -1.10 -0.10 0.00 0.00 0.00 0.00 55.97 54.93 2kma s LYS 106 Cb 0.11 0.32 0.14 0.00 0.00 0.00 0.00 37.83 38.40 2kma s LYS 106 CO 0.06 -0.28 0.51 0.25 0.00 0.00 0.00 175.35 175.89 2kma n THR 107 N -0.08 0.00 0.02 3.79 -2.24 -1.26 -4.75 114.28 109.76 2kma n THR 107 Ca -0.12 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.25 2kma n THR 107 Cb 0.62 -1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.09 1.55 -0.60 2.28 2.07 -1.78 -3.07 116.25 114.61 2kma h VAL 108 Ca -0.19 -2.44 0.11 0.00 0.82 0.00 0.00 66.70 65.01 2kma h VAL 108 Cb 0.58 3.16 -0.12 0.00 -1.52 0.00 0.00 31.29 33.40 2kma h VAL 108 CO 0.12 0.68 -0.26 0.74 0.02 0.00 0.00 177.57 178.88 2kma h THR 109 N -0.45 0.25 0.00 2.57 2.02 -1.95 0.21 112.91 115.55 2kma h THR 109 Ca -0.11 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2kma h THR 109 Cb 1.48 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2kma h THR 109 CO 0.12 0.00 -0.14 -0.78 0.37 0.00 0.00 175.52 175.10 2kma h ASP 110 N -0.10 0.00 -0.01 4.18 1.82 -1.93 -0.27 116.42 120.11 2kma h ASP 110 Ca 0.26 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2kma h ASP 110 Cb 0.52 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2kma h ASP 110 CO -0.67 0.14 0.00 -0.03 -1.61 0.00 0.00 179.24 177.07 2kma h MET 111 N 0.00 0.01 -0.70 0.28 4.05 -0.71 -2.15 114.93 115.71 2kma h MET 111 Ca -0.00 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2kma h MET 111 Cb 0.24 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 2kma h MET 111 CO 0.02 0.26 0.18 1.25 0.23 0.00 0.00 176.91 178.85 2kma h LEU 112 N -0.24 1.05 -0.53 3.39 5.85 -0.01 0.21 115.31 125.02 2kma h LEU 112 Ca 0.00 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2kma h LEU 112 Cb 0.26 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 2kma h LEU 112 CO 0.00 1.00 0.07 -0.03 -0.34 0.00 0.00 178.44 179.14 2kma h MET 113 N 1.06 0.19 -0.71 1.25 4.05 -1.04 0.26 114.93 119.98 2kma h MET 113 Ca 0.22 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 2kma h MET 113 Cb 0.35 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 2kma h MET 113 CO -0.00 0.12 0.18 1.15 0.23 0.00 0.00 176.91 178.59 2kma h THR 114 N 0.19 1.26 -0.01 -0.77 2.02 -0.58 -1.72 112.91 113.31 2kma h THR 114 Ca 0.27 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 2kma h THR 114 Cb 0.39 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2kma h THR 114 CO -0.39 0.37 -0.11 0.40 0.37 0.00 0.00 175.52 176.17 2kma h ILE 115 N 1.08 1.55 0.00 3.11 2.04 -0.13 -3.10 117.51 122.07 2kma h ILE 115 Ca 0.22 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 2kma h ILE 115 Cb 0.36 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2kma h ILE 115 CO 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 178.15 178.39 2kma h ALA 117 N 1.77 1.18 -0.18 0.00 0.00 -1.31 0.18 119.26 120.90 2kma h ALA 117 Ca -0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2kma h ALA 117 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2kma h ALA 117 CO 0.03 0.29 -0.54 0.00 0.00 0.00 0.00 179.25 179.03 2kma h ARG 118 N 0.00 0.53 0.00 0.00 2.47 -1.17 -3.06 114.38 113.16 2kma h ARG 118 Ca -0.00 -0.33 -0.19 0.00 -1.26 0.00 0.00 59.98 58.19 2kma h ARG 118 Cb 0.59 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.92 2kma h ARG 118 CO 0.03 0.94 -0.95 0.82 0.56 0.00 0.00 179.97 181.37 2kma h ILE 119 N 0.41 1.52 0.00 2.04 1.08 -1.47 -3.47 117.51 117.62 2kma h ILE 119 Ca 0.01 -3.17 0.00 0.00 -0.39 0.00 0.00 64.86 61.31 2kma h ILE 119 Cb 1.08 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.58 2kma h ILE 119 CO 0.10 0.87 0.00 0.61 -0.69 0.00 0.00 178.15 179.04 2kma n GLY 120 N 1.34 1.75 3.74 5.37 0.00 -0.46 -5.10 105.19 111.82 2kma n GLY 120 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 5.19 -0.13 -0.61 1.01 0.52 -4.98 121.20 120.20 2kma s ILE 121 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 60.65 61.45 2kma s ILE 121 Cb 0.00 -3.76 -0.25 0.00 0.01 0.00 0.00 42.46 38.46 2kma s ILE 121 CO 0.00 0.38 0.33 1.07 0.00 0.00 0.00 174.94 176.72 2kma n THR 122 N 3.39 1.73 -2.83 2.92 5.66 -1.26 -4.09 114.28 119.80 2kma n THR 122 Ca -0.09 -0.66 -0.44 0.00 -3.05 0.00 0.00 64.05 59.81 2kma n THR 122 Cb 0.52 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.68 2kma n THR 122 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2kma n ASN 123 N -3.41 5.23 0.07 1.09 6.94 -1.26 -4.71 115.26 119.21 2kma n ASN 123 Ca -0.32 -3.02 0.13 0.00 -0.02 0.00 0.00 54.58 51.35 2kma n ASN 123 Cb 1.04 -1.54 0.32 0.00 -2.36 0.00 0.00 39.78 37.25 2kma n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kma n HIS 124 N 5.05 0.64 0.37 -2.53 1.44 -1.26 -3.60 115.22 115.32 2kma n HIS 124 Ca 0.37 0.19 0.14 0.00 -2.01 0.00 0.00 57.72 56.40 2kma n HIS 124 Cb 0.41 -0.74 0.50 0.00 0.12 0.00 0.00 29.99 30.28 2kma n HIS 124 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 2kma h ASP 125 N 0.00 0.00 -0.42 4.39 2.03 -1.97 -2.97 116.42 117.48 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kma h ASP 125 Cb 0.70 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.20 2kma h ASP 125 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 179.24 177.59 2kma n GLU 126 N -2.66 3.75 -4.51 4.15 1.02 -1.24 -4.84 120.64 116.32 2kma n GLU 126 Ca 0.02 -2.26 -0.25 0.00 -0.02 0.00 0.00 57.16 54.65 2kma n GLU 126 Cb 0.33 -2.03 -0.13 0.00 -0.02 0.00 0.00 31.44 29.59 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kma s TYR 127 N -2.23 1.84 0.35 -0.32 2.02 -1.12 0.34 117.35 118.23 2kma s TYR 127 Ca 0.39 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.78 2kma s TYR 127 Cb 0.30 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2kma s TYR 127 CO 0.12 0.15 0.16 -1.54 -1.57 0.00 0.00 175.55 172.87 2kma s SER 128 N -1.49 4.73 0.01 2.29 1.04 0.64 -4.75 113.70 116.17 2kma s SER 128 Ca 0.07 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2kma s SER 128 Cb -0.09 -0.73 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 2kma s SER 128 CO 0.03 -0.33 -0.06 -0.22 0.98 0.00 0.00 173.24 173.64 2kma s LEU 129 N -3.87 3.20 -0.10 2.42 0.20 -1.24 -1.70 118.68 117.58 2kma s LEU 129 Ca 0.38 -0.16 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 2kma s LEU 129 Cb -0.02 -1.85 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 2kma s LEU 129 CO 0.23 0.27 0.05 0.54 -0.29 0.00 0.00 176.35 177.16 2kma s VAL 130 N -1.03 0.06 -0.52 1.68 0.11 -0.86 0.15 120.40 119.99 2kma s VAL 130 Ca 0.18 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 59.15 2kma s VAL 130 Cb -0.11 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.39 2kma s VAL 130 CO 0.09 0.02 0.53 -0.13 -3.33 0.00 0.00 175.10 172.28 2kma s ARG 131 N 2.09 3.03 -0.39 1.54 0.52 0.21 -0.25 118.95 125.70 2kma s ARG 131 Ca 0.03 -1.33 -0.27 0.00 -0.52 0.00 0.00 55.73 53.64 2kma s ARG 131 Cb -0.14 -4.19 0.02 0.00 0.52 0.00 0.00 34.95 31.16 2kma s ARG 131 CO -0.06 -1.25 1.02 -1.21 0.02 0.00 0.00 175.30 173.83 2kma s GLU 132 N 2.06 3.84 0.27 3.54 2.02 -1.00 -3.39 118.70 126.03 2kma s GLU 132 Ca 0.08 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2kma s GLU 132 Cb -0.25 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.16 2kma s GLU 132 CO 0.07 -1.08 0.04 1.28 0.02 0.00 0.00 175.26 175.59 2kma n LEU 133 N 7.12 0.00 -1.64 1.80 4.77 -1.24 -3.52 117.00 124.30 2kma n LEU 133 Ca 0.10 -1.63 0.03 0.00 -0.03 0.00 0.00 56.01 54.48 2kma n LEU 133 Cb 0.48 0.15 0.33 0.00 -2.33 0.00 0.00 43.42 42.05 2kma n LEU 133 CO 0.63 -0.27 0.87 1.15 -1.33 0.00 0.00 177.39 178.44 2kma n MET 134 N -0.76 3.94 -1.57 3.23 0.00 -1.26 -4.84 117.12 115.86 2kma n MET 134 Ca -0.09 -3.07 -0.53 0.00 0.00 0.00 0.00 57.70 54.00 2kma n MET 134 Cb 0.33 -2.13 -0.07 0.00 0.00 0.00 0.00 33.22 31.35 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 0.03 1.23 0.12 3.17 -0.58 -1.26 -4.83 120.64 118.51 2kma n GLU 135 Ca 0.30 0.40 -0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2kma n GLU 135 Cb 1.17 -2.32 0.05 0.00 -0.57 0.00 0.00 31.44 29.77 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 9.87 0.00 0.00 3.49 4.11 -1.99 -2.80 114.58 127.26 2kma h GLU 136 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2kma h GLU 136 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kma h GLU 136 CO 0.99 0.65 -0.09 0.87 0.07 0.00 0.00 179.01 181.50 2kma h LYS 137 N 0.00 0.00 0.40 1.06 1.57 -2.04 -3.42 116.57 114.14 2kma h LYS 137 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2kma h LYS 137 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2kma h LYS 137 CO 0.08 0.00 -0.19 0.87 -0.57 0.00 0.00 179.45 179.64 2kma h LYS 138 N -0.26 -0.52 -5.56 3.15 1.57 -1.98 -3.48 116.57 109.49 2kma h LYS 138 Ca 0.00 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2kma h LYS 138 Cb 0.09 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2kma h LYS 138 CO 0.00 -0.21 -0.61 -3.47 -0.57 0.00 0.00 179.45 174.59 2kma n ASP 169 N -5.17 -7.43 -3.91 0.86 2.03 -1.05 -5.04 116.55 96.84 2kma n ASP 169 Ca -0.09 0.33 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 2kma n ASP 169 Cb 0.28 -4.62 -0.08 0.00 -0.72 0.00 0.00 41.12 35.98 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 -2.66 0.79 0.41 -0.67 0.41 -1.26 -5.00 118.70 110.72 2kma s GLU 170 Ca 0.25 -1.00 0.24 0.00 -0.41 0.00 0.00 54.97 54.05 2kma s GLU 170 Cb -0.06 0.31 0.46 0.00 -1.78 0.00 0.00 34.13 33.06 2kma s GLU 170 CO 0.79 -0.23 1.65 -0.07 -0.49 0.00 0.00 175.26 176.91 2kma h LEU 171 N 2.87 0.00 -2.84 1.80 3.38 -1.97 -3.29 115.31 115.27 2kma h LEU 171 Ca -0.34 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 2kma h LEU 171 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2kma h LEU 171 CO 0.58 0.00 -0.69 0.59 0.09 0.00 0.00 178.44 179.01 2kma n ASN 172 N -2.96 -6.86 -4.57 -0.43 3.02 -1.22 0.66 115.26 102.90 2kma n ASN 172 Ca 0.04 0.06 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2kma n ASN 172 Cb 0.50 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 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 -2.39 2.67 0.01 3.10 0.52 -1.26 0.35 118.94 121.94 2kma s TRP 173 Ca 0.22 0.36 -0.30 0.00 0.02 0.00 0.00 56.10 56.39 2kma s TRP 173 Cb -0.04 -4.41 -0.07 0.00 -1.15 0.00 0.00 33.47 27.81 2kma s TRP 173 CO 0.81 -1.50 1.57 -0.51 0.02 0.00 0.00 176.95 177.34 2kma s LEU 174 N 4.68 4.34 0.14 2.99 1.43 0.40 -4.88 118.68 127.78 2kma s LEU 174 Ca 0.41 2.29 0.22 0.00 -1.03 0.00 0.00 54.13 56.02 2kma s LEU 174 Cb -0.08 -3.55 0.87 0.00 0.03 0.00 0.00 46.19 43.45 2kma s LEU 174 CO 0.25 -0.84 1.67 -0.90 0.23 0.00 0.00 176.35 176.76 2kma n ASP 175 N 5.94 0.41 -0.43 2.29 5.68 -1.26 -3.65 116.55 125.52 2kma n ASP 175 Ca 0.15 0.58 -0.05 0.00 -0.50 0.00 0.00 54.79 54.97 2kma n ASP 175 Cb 0.42 -0.68 -0.02 0.00 -1.14 0.00 0.00 41.12 39.71 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 -1.93 -0.05 0.00 2.11 8.25 -1.26 -4.87 115.22 117.47 2kma n HIS 176 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2kma n HIS 176 Cb 0.25 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.03 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 -2.07 0.00 3.85 -1.41 0.00 -1.26 -4.05 105.19 100.24 2kma n GLY 177 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.40 3.95 0.69 1.61 3.52 -1.26 -4.87 118.95 121.20 2kma s ARG 178 Ca 0.00 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 55.94 2kma s ARG 178 Cb 0.00 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 2kma s ARG 178 CO 0.00 0.51 1.06 -0.08 -0.81 0.00 0.00 175.30 175.98 2kma s THR 179 N -1.42 4.06 -0.02 4.11 -1.32 -1.26 -4.32 115.64 115.46 2kma s THR 179 Ca 0.36 0.67 -0.24 0.00 -1.21 0.00 0.00 61.69 61.26 2kma s THR 179 Cb -0.15 -3.43 -0.20 0.00 -1.51 0.00 0.00 72.50 67.22 2kma s THR 179 CO 0.19 -0.87 1.21 -0.07 -2.21 0.00 0.00 174.62 172.86 2kma h LEU 180 N -0.70 0.14 -1.75 9.08 -0.00 -1.86 -3.16 115.31 117.06 2kma h LEU 180 Ca -0.44 -0.58 0.06 0.00 -0.00 0.00 0.00 57.88 56.92 2kma h LEU 180 Cb 1.21 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 2kma h LEU 180 CO 0.57 0.69 0.28 0.03 -0.00 0.00 0.00 178.44 180.01 2kma h ARG 181 N -0.40 0.30 0.00 1.13 3.08 -1.89 -0.17 114.38 116.43 2kma h ARG 181 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2kma h ARG 181 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2kma h ARG 181 CO 0.02 0.20 0.00 -1.91 -1.07 0.00 0.00 179.97 177.21 2kma n GLU 182 N -4.48 0.14 0.14 0.04 4.07 -1.20 -1.45 120.64 117.92 2kma n GLU 182 Ca 0.05 0.27 0.11 0.00 -0.06 0.00 0.00 57.16 57.54 2kma n GLU 182 Cb 0.25 -1.72 0.05 0.00 -0.06 0.00 0.00 31.44 29.96 2kma n GLU 182 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2kma h GLN 183 N 0.00 0.00 0.00 5.31 4.20 -1.05 -3.48 115.11 120.09 2kma h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kma h GLN 183 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2kma h GLN 183 CO 0.00 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2kma n GLY 184 N 1.16 0.58 3.70 3.46 0.00 -0.52 -5.05 105.19 108.51 2kma n GLY 184 Ca 0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -2.00 2.43 0.00 1.61 -7.23 -1.19 -5.06 120.40 108.97 2kma s VAL 185 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2kma s VAL 185 Cb 0.00 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2kma s VAL 185 CO 0.00 -0.18 0.00 -1.84 -0.31 0.00 0.00 175.10 172.77 2kma n GLU 186 N -4.05 2.58 -0.28 4.82 -0.00 -1.26 -4.88 120.64 117.57 2kma n GLU 186 Ca 0.11 0.00 0.08 0.00 -0.00 0.00 0.00 57.16 57.34 2kma n GLU 186 Cb 0.52 0.00 0.12 0.00 -0.00 0.00 0.00 31.44 32.09 2kma n GLU 186 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kma n GLU 187 N -0.22 1.07 0.00 3.44 1.02 -1.26 -4.80 120.64 119.89 2kma n GLU 187 Ca 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 57.16 54.73 2kma n GLU 187 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.08 0.00 -2.40 -0.32 1.44 -1.26 -4.72 115.22 106.88 2kma n HIS 188 Ca 0.13 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.55 2kma n HIS 188 Cb 0.68 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.78 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 -0.56 3.64 -0.06 -1.40 0.41 -1.26 -4.95 118.70 114.52 2kma s GLU 189 Ca 0.00 0.49 -0.21 0.00 -0.41 0.00 0.00 54.97 54.84 2kma s GLU 189 Cb 0.00 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 2kma s GLU 189 CO 0.00 -0.30 0.60 0.99 -0.49 0.00 0.00 175.26 176.06 2kma s THR 190 N -2.81 5.04 -0.02 3.63 2.01 -1.23 -4.34 115.64 117.92 2kma s THR 190 Ca 0.52 1.24 0.04 0.00 0.31 0.00 0.00 61.69 63.80 2kma s THR 190 Cb -0.10 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2kma s THR 190 CO 0.44 0.33 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.80 2kma s LEU 191 N 0.41 2.77 -0.10 4.42 2.01 0.17 -2.39 118.68 125.97 2kma s LEU 191 Ca 0.32 -0.25 0.01 0.00 0.01 0.00 0.00 54.13 54.22 2kma s LEU 191 Cb -0.17 -1.59 -0.02 0.00 0.01 0.00 0.00 46.19 44.42 2kma s LEU 191 CO 0.16 0.31 -0.12 -0.76 1.01 0.00 0.00 176.35 176.95 2kma s LEU 192 N -1.01 2.84 -0.18 1.79 1.43 0.66 -0.95 118.68 123.26 2kma s LEU 192 Ca 0.13 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 2kma s LEU 192 Cb -0.11 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2kma s LEU 192 CO 0.03 0.25 0.89 -0.22 0.23 0.00 0.00 176.35 177.53 2kma s LEU 193 N -0.15 4.16 -0.06 1.79 0.20 0.10 -2.03 118.68 122.70 2kma s LEU 193 Ca 0.00 1.24 0.05 0.00 0.69 0.00 0.00 54.13 56.12 2kma s LEU 193 Cb -0.13 -3.32 -0.02 0.00 -0.43 0.00 0.00 46.19 42.29 2kma s LEU 193 CO 0.03 -0.46 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.28 2kma s ARG 194 N 2.36 2.56 -0.12 1.98 1.81 -0.69 -4.42 118.95 122.43 2kma s ARG 194 Ca 0.40 -0.84 -0.29 0.00 -1.72 0.00 0.00 55.73 53.27 2kma s ARG 194 Cb -0.16 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.07 2kma s ARG 194 CO 0.12 0.44 1.50 0.50 -0.68 0.00 0.00 175.30 177.18 2kma s ARG 195 N -0.30 4.15 -0.21 3.54 3.00 -1.26 -0.26 118.95 127.61 2kma s ARG 195 Ca 0.01 1.91 -0.16 0.00 -1.00 0.00 0.00 55.73 56.49 2kma s ARG 195 Cb -0.13 -3.91 -0.09 0.00 0.00 0.00 0.00 34.95 30.83 2kma s ARG 195 CO 0.02 -0.85 -0.28 1.17 0.00 0.00 0.00 175.30 175.36 2kma n LYS 196 N 7.00 0.54 -3.26 5.12 4.81 0.15 -4.79 118.16 127.74 2kma n LYS 196 Ca 0.16 0.31 -0.34 0.00 -0.87 0.00 0.00 58.31 57.57 2kma n LYS 196 Cb 0.44 -1.52 -0.06 0.00 0.02 0.00 0.00 35.03 33.91 2kma n LYS 196 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kma s PHE 197 N -2.64 3.51 -1.31 5.64 0.08 -0.63 -4.97 117.98 117.66 2kma s PHE 197 Ca -0.30 1.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.82 2kma s PHE 197 Cb 0.07 -2.44 0.09 0.00 -0.57 0.00 0.00 43.02 40.17 2kma s PHE 197 CO 0.43 0.29 2.47 1.19 -0.10 0.00 0.00 175.22 179.50 2kma n PHE 198 N 0.28 2.52 -0.09 0.36 3.72 -1.26 -4.59 117.46 118.39 2kma n PHE 198 Ca -0.01 -2.81 0.10 0.00 -0.05 0.00 0.00 57.45 54.68 2kma n PHE 198 Cb 0.52 -1.89 0.47 0.00 -0.94 0.00 0.00 39.48 37.64 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 4.56 0.50 -3.85 1.38 -0.00 -1.93 -3.46 116.97 114.17 2kma h TYR 199 Ca 0.71 0.01 -0.37 0.00 0.00 0.00 0.00 58.73 59.08 2kma h TYR 199 Cb 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 36.89 2kma h TYR 199 CO 1.63 0.25 -0.51 0.43 -0.00 0.00 0.00 178.16 179.96 2kma n SER 200 N -4.48 -5.33 -0.71 0.10 7.64 -1.26 -0.90 113.62 108.67 2kma n SER 200 Ca 0.09 -0.09 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2kma n SER 200 Cb 0.31 -4.41 -0.04 0.00 -1.01 0.00 0.00 64.21 59.06 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 -2.15 -5.24 0.00 6.43 2.03 -1.26 -5.32 116.55 111.04 2kma n ASP 201 Ca -0.16 0.23 0.11 0.00 0.52 0.00 0.00 54.79 55.48 2kma n ASP 201 Cb 0.64 -3.56 0.64 0.00 -0.72 0.00 0.00 41.12 38.11 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95