#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kma s ILE -4 N 0.00 5.18 -0.11 -0.61 1.09 -1.26 -5.04 121.20 120.44 2kma s ILE -4 Ca 0.00 -0.85 -0.29 0.00 -1.10 0.00 0.00 60.65 58.41 2kma s ILE -4 Cb 0.00 -4.10 -0.01 0.00 -1.06 0.00 0.00 42.46 37.29 2kma s ILE -4 CO 0.00 -0.54 0.99 -1.81 -0.10 0.00 0.00 174.94 173.48 2kma s ASP -3 N 2.36 7.22 0.62 3.58 1.11 -1.26 -5.04 116.67 125.26 2kma s ASP -3 Ca 0.06 1.50 -0.08 0.00 0.18 0.00 0.00 52.55 54.21 2kma s ASP -3 Cb -0.22 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.22 2kma s ASP -3 CO 0.09 -0.45 0.96 -2.16 1.18 0.00 0.00 175.17 174.79 2kma s PRO -2 N 2.05 3.02 -0.47 8.23 0.04 -1.26 -5.06 135.00 141.55 2kma s PRO -2 Ca 0.47 0.23 0.03 0.00 0.04 0.00 0.00 61.00 61.77 2kma s PRO -2 Cb -0.18 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.31 2kma s PRO -2 CO 0.17 -0.74 0.26 -0.06 0.04 0.00 0.00 177.00 176.67 2kma s PHE -1 N -3.10 2.32 0.00 0.56 0.08 -1.26 -5.10 117.98 111.49 2kma s PHE -1 Ca 0.55 -2.65 0.00 0.00 0.12 0.00 0.00 56.93 54.95 2kma s PHE -1 Cb -0.11 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 2kma s PHE -1 CO 0.48 -0.76 0.00 0.25 -0.10 0.00 0.00 175.22 175.09 2kma n THR 0 N 3.34 0.00 -0.90 0.64 -2.24 -1.26 -4.83 114.28 109.03 2kma n THR 0 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 2kma n THR 0 Cb 0.34 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 2kma n THR 0 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2kma n MET 1 N 0.00 1.72 -3.24 -0.78 1.56 -1.26 -4.01 117.12 111.11 2kma n MET 1 Ca 0.00 -0.92 -0.25 0.00 -0.27 0.00 0.00 57.70 56.26 2kma n MET 1 Cb 0.00 -1.66 -0.07 0.00 2.15 0.00 0.00 33.22 33.64 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 1.74 -0.34 -3.78 1.12 0.24 -1.26 -5.10 118.33 110.95 2kma n VAL 2 Ca 0.29 -4.13 -0.13 0.00 -2.04 0.00 0.00 64.34 58.33 2kma n VAL 2 Cb 0.70 -1.96 -0.10 0.00 -1.47 0.00 0.00 33.84 31.02 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 -1.27 -0.69 -0.12 2.33 0.00 -1.26 -3.91 121.76 116.85 2kma s ALA 3 Ca 0.35 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 2kma s ALA 3 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2kma s ALA 3 CO -0.10 -0.22 -0.10 -0.51 0.00 0.00 0.00 175.76 174.83 2kma s LEU 4 N -0.93 2.90 -0.56 0.00 1.02 0.22 -4.76 118.68 116.57 2kma s LEU 4 Ca -0.10 -0.22 -0.21 0.00 0.02 0.00 0.00 54.13 53.61 2kma s LEU 4 Cb -0.05 -1.65 0.06 0.00 0.02 0.00 0.00 46.19 44.57 2kma s LEU 4 CO 0.03 0.21 0.80 -0.94 0.02 0.00 0.00 176.35 176.47 2kma s SER 5 N 0.07 6.24 -0.15 2.29 1.04 -1.26 -1.86 113.70 120.07 2kma s SER 5 Ca -0.04 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2kma s SER 5 Cb -0.14 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 2kma s SER 5 CO 0.04 -1.13 -0.14 -0.76 0.98 0.00 0.00 173.24 172.23 2kma s LEU 6 N 3.31 2.58 -0.48 2.42 1.43 -0.03 -1.28 118.68 126.63 2kma s LEU 6 Ca 0.21 -0.41 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 2kma s LEU 6 Cb -0.17 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.48 2kma s LEU 6 CO 0.13 0.12 1.38 -0.54 0.23 0.00 0.00 176.35 177.66 2kma s LYS 7 N 0.64 3.49 -0.63 1.70 1.02 -0.67 -2.12 119.74 123.17 2kma s LYS 7 Ca -0.08 0.71 -0.21 0.00 0.02 0.00 0.00 55.97 56.41 2kma s LYS 7 Cb -0.16 -4.05 0.09 0.00 -0.52 0.00 0.00 37.83 33.19 2kma s LYS 7 CO 0.03 -1.69 0.85 0.42 -0.92 0.00 0.00 175.35 174.04 2kma s ILE 8 N 5.55 4.55 -0.17 2.17 -1.09 0.21 0.33 121.20 132.74 2kma s ILE 8 Ca 0.56 -0.65 -0.09 0.00 -2.23 0.00 0.00 60.65 58.24 2kma s ILE 8 Cb -0.12 -4.60 -0.05 0.00 -1.58 0.00 0.00 42.46 36.12 2kma s ILE 8 CO 0.30 -1.31 0.14 -0.44 -1.23 0.00 0.00 174.94 172.40 2kma s SER 9 N 3.66 6.27 -0.46 3.58 0.01 -1.10 0.65 113.70 126.31 2kma s SER 9 Ca 0.17 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.77 2kma s SER 9 Cb -0.20 -2.09 0.13 0.00 0.21 0.00 0.00 66.02 64.07 2kma s SER 9 CO 0.08 0.24 0.23 -0.63 0.41 0.00 0.00 173.24 173.58 2kma s ILE 10 N -0.04 1.76 0.00 1.44 1.01 0.12 -1.15 121.20 124.35 2kma s ILE 10 Ca 0.10 -2.73 0.00 0.00 0.00 0.00 0.00 60.65 58.02 2kma s ILE 10 Cb -0.11 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2kma s ILE 10 CO 0.00 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.70 2kma n GLY 11 N 3.48 1.31 1.64 6.18 0.00 -1.26 -3.18 105.19 113.36 2kma n GLY 11 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 2.87 0.02 -4.75 1.61 2.85 -1.26 -5.09 115.26 111.51 2kma n ASN 12 Ca 0.00 0.02 -0.34 0.00 -0.11 0.00 0.00 54.58 54.15 2kma n ASN 12 Cb 0.00 0.01 0.06 0.00 1.24 0.00 0.00 39.78 41.08 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kma s VAL 13 N -2.00 2.85 -0.04 3.44 0.11 -1.19 -5.05 120.40 118.52 2kma s VAL 13 Ca 0.00 0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 59.47 2kma s VAL 13 Cb 0.00 -3.00 0.03 0.00 -1.53 0.00 0.00 36.38 31.88 2kma s VAL 13 CO 0.00 -0.21 0.02 0.54 -3.33 0.00 0.00 175.10 172.12 2kma s VAL 14 N -2.07 0.12 0.08 2.04 0.11 -1.26 0.16 120.40 119.59 2kma s VAL 14 Ca 0.71 0.19 0.10 0.00 -2.93 0.00 0.00 61.98 60.05 2kma s VAL 14 Cb -0.25 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2kma s VAL 14 CO 0.40 0.17 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.55 2kma s LYS 15 N 1.50 1.69 -0.30 1.54 -0.14 0.21 -4.93 119.74 119.31 2kma s LYS 15 Ca -0.03 -1.19 -0.12 0.00 -1.36 0.00 0.00 55.97 53.27 2kma s LYS 15 Cb -0.13 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 2kma s LYS 15 CO -0.03 0.49 0.22 0.99 -0.76 0.00 0.00 175.35 176.26 2kma s THR 16 N -0.93 5.29 0.07 2.17 2.01 -1.26 0.64 115.64 123.63 2kma s THR 16 Ca 0.13 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.23 2kma s THR 16 Cb -0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2kma s THR 16 CO 0.04 0.15 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.96 2kma s MET 17 N 1.77 0.76 -0.05 4.92 -1.94 -0.90 -4.97 119.30 118.88 2kma s MET 17 Ca 0.07 -0.92 0.05 0.00 -1.71 0.00 0.00 55.69 53.18 2kma s MET 17 Cb -0.16 -0.70 -0.02 0.00 2.01 0.00 0.00 34.83 35.96 2kma s MET 17 CO 0.11 0.15 -0.20 -0.65 -0.01 0.00 0.00 175.02 174.42 2kma s GLN 18 N -1.74 2.53 0.18 2.03 -0.21 -1.26 -0.85 119.66 120.35 2kma s GLN 18 Ca -0.04 -0.82 0.07 0.00 0.02 0.00 0.00 55.36 54.60 2kma s GLN 18 Cb -0.10 -2.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 2kma s GLN 18 CO 0.02 0.48 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.47 2kma s PHE 19 N -0.40 1.64 0.34 0.91 0.40 -0.78 -4.86 117.98 115.23 2kma s PHE 19 Ca 0.04 -0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 55.53 2kma s PHE 19 Cb -0.12 -0.78 -0.09 0.00 0.51 0.00 0.00 43.02 42.53 2kma s PHE 19 CO 0.02 0.30 1.00 -1.21 0.70 0.00 0.00 175.22 176.03 2kma s GLU 20 N -3.44 4.46 0.40 0.44 2.02 -1.26 0.73 118.70 122.05 2kma s GLU 20 Ca 0.19 1.47 0.18 0.00 0.02 0.00 0.00 54.97 56.83 2kma s GLU 20 Cb -0.01 -2.79 1.09 0.00 0.10 0.00 0.00 34.13 32.51 2kma s GLU 20 CO 0.06 0.14 1.77 -1.00 0.02 0.00 0.00 175.26 176.25 2kma h PRO 21 N 3.09 0.39 -0.63 0.39 0.13 -1.90 0.94 132.00 134.41 2kma h PRO 21 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kma h PRO 21 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kma h PRO 21 CO 0.64 0.26 0.00 -1.13 -0.23 0.00 0.00 178.00 177.54 2kma n SER 22 N -4.63 4.60 -0.05 1.44 3.41 -1.26 -3.22 113.62 113.91 2kma n SER 22 Ca 0.25 -2.42 -0.09 0.00 -0.26 0.00 0.00 58.87 56.36 2kma n SER 22 Cb 0.86 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 2kma n SER 22 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2kma h THR 23 N 3.93 0.95 -0.12 6.66 2.02 -1.17 -3.49 112.91 121.69 2kma h THR 23 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2kma h THR 23 Cb 1.39 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2kma h THR 23 CO 0.20 0.04 -0.03 0.80 0.37 0.00 0.00 175.52 176.90 2kma n MET 24 N -5.03 -0.15 -0.30 6.66 1.56 -1.26 -4.26 117.12 114.34 2kma n MET 24 Ca -0.02 0.11 -0.07 0.00 -0.27 0.00 0.00 57.70 57.45 2kma n MET 24 Cb 0.08 -0.13 -0.03 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 0.04 0.04 -0.12 1.12 2.07 -1.72 -0.69 116.25 117.00 2kma h VAL 25 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2kma h VAL 25 Cb 0.01 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2kma h VAL 25 CO 0.00 0.00 0.08 0.10 0.02 0.00 0.00 177.57 177.77 2kma h TYR 26 N -0.12 0.03 0.06 1.57 -0.00 -1.86 0.54 116.97 117.19 2kma h TYR 26 Ca 0.22 0.00 -0.26 0.00 -0.00 0.00 0.00 58.73 58.70 2kma h TYR 26 Cb 0.54 -0.01 0.02 0.00 -0.00 0.00 0.00 36.73 37.28 2kma h TYR 26 CO -0.82 0.02 -1.04 0.22 -0.00 0.00 0.00 178.16 176.53 2kma h ASP 27 N 0.03 0.81 -0.51 0.10 1.82 -1.35 -3.06 116.42 114.26 2kma h ASP 27 Ca 0.05 -0.79 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 2kma h ASP 27 Cb 0.18 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 2kma h ASP 27 CO -0.00 1.51 0.33 0.00 -1.61 0.00 0.00 179.24 179.46 2kma h ALA 28 N 0.31 0.65 -0.36 -0.78 0.00 -0.10 -1.95 119.26 117.04 2kma h ALA 28 Ca -0.15 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2kma h ALA 28 Cb 1.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2kma h ALA 28 CO 0.20 0.11 0.25 0.00 0.00 0.00 0.00 179.25 179.81 2kma h ARG 30 N 0.28 0.54 -0.36 0.00 0.11 -1.27 -3.17 114.38 110.52 2kma h ARG 30 Ca 0.16 -0.87 -0.17 0.00 0.10 0.00 0.00 59.98 59.20 2kma h ARG 30 Cb 0.28 0.31 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2kma h ARG 30 CO -0.03 1.41 -0.44 0.52 0.10 0.00 0.00 179.97 181.53 2kma h MET 31 N 0.13 0.92 -0.71 0.08 2.86 -1.07 -3.02 114.93 114.11 2kma h MET 31 Ca -0.23 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 56.86 2kma h MET 31 Cb 2.06 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.72 2kma h MET 31 CO 0.26 1.17 0.29 0.97 1.06 0.00 0.00 176.91 180.65 2kma h ILE 32 N 0.74 1.24 -0.06 -1.22 2.10 -1.34 -0.60 117.51 118.37 2kma h ILE 32 Ca 0.05 -0.76 0.02 0.00 1.08 0.00 0.00 64.86 65.25 2kma h ILE 32 Cb 1.04 0.39 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 2kma h ILE 32 CO 0.10 0.31 0.06 0.03 -1.08 0.00 0.00 178.15 177.57 2kma h ARG 33 N 1.03 0.00 0.56 2.19 3.08 -1.50 0.31 114.38 120.05 2kma h ARG 33 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2kma h ARG 33 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2kma h ARG 33 CO -0.02 0.00 -0.27 0.93 -1.07 0.00 0.00 179.97 179.54 2kma h GLU 34 N 0.00 -0.72 0.10 0.04 4.39 -0.98 -3.39 114.58 114.01 2kma h GLU 34 Ca 0.03 0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.56 2kma h GLU 34 Cb 0.15 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kma h GLU 34 CO -0.00 -0.47 -1.11 0.07 -1.16 0.00 0.00 179.01 176.34 2kma h ARG 35 N -1.18 0.22 -4.61 2.33 -0.00 -1.44 -3.44 114.38 106.25 2kma h ARG 35 Ca -0.08 -0.37 -0.71 0.00 -0.00 0.00 0.00 59.98 58.82 2kma h ARG 35 Cb 0.59 0.14 -0.20 0.00 -0.00 0.00 0.00 29.97 30.50 2kma h ARG 35 CO 0.13 1.18 -0.23 0.42 -0.00 0.00 0.00 179.97 181.46 2kma s ILE 36 N -2.43 5.12 -1.32 0.08 1.01 0.09 -4.91 121.20 118.85 2kma s ILE 36 Ca -0.19 -0.71 0.24 0.00 0.00 0.00 0.00 60.65 59.99 2kma s ILE 36 Cb 0.03 -4.12 0.36 0.00 0.01 0.00 0.00 42.46 38.75 2kma s ILE 36 CO 0.76 -0.55 1.79 -2.65 0.00 0.00 0.00 174.94 174.29 2kma n PRO 37 N 5.50 0.26 0.10 2.79 -0.02 -1.26 -2.48 135.00 139.88 2kma n PRO 37 Ca -0.10 0.07 0.13 0.00 -2.02 0.00 0.00 63.50 61.58 2kma n PRO 37 Cb 0.45 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.86 2kma n PRO 37 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kma n GLU 38 N -1.34 0.24 0.09 -0.52 -0.58 -1.26 -3.84 120.64 113.43 2kma n GLU 38 Ca 0.10 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2kma n GLU 38 Cb 0.21 -1.78 -0.08 0.00 -0.57 0.00 0.00 31.44 29.22 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 2.57 -0.21 -0.87 0.62 0.00 -1.81 -3.31 119.26 116.25 2kma h ALA 39 Ca 0.00 -0.16 -0.76 0.00 0.00 0.00 0.00 54.91 54.00 2kma h ALA 39 Cb 0.71 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 2kma h ALA 39 CO 0.00 -0.48 2.08 1.47 0.00 0.00 0.00 179.25 182.33 2kma n LEU 40 N -5.06 7.35 0.29 0.00 -0.00 -1.25 -4.64 117.00 113.70 2kma n LEU 40 Ca -0.09 -4.84 0.16 0.00 -0.00 0.00 0.00 56.01 51.24 2kma n LEU 40 Cb 0.21 -1.39 0.87 0.00 -0.00 0.00 0.00 43.42 43.11 2kma n LEU 40 CO 0.32 1.76 1.06 0.00 -0.00 0.00 0.00 177.39 180.54 2kma h ALA 41 N 5.09 1.26 -3.00 1.47 0.00 -1.80 -3.45 119.26 118.84 2kma h ALA 41 Ca 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2kma h ALA 41 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kma h ALA 41 CO 1.52 0.07 0.00 0.41 0.00 0.00 0.00 179.25 181.25 2kma n GLY 42 N -0.85 5.37 3.62 0.00 0.00 -1.26 -5.09 105.19 106.98 2kma n GLY 42 Ca -0.02 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2kma n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kma s PRO 43 N 2.39 3.48 0.65 1.61 0.04 -1.26 -4.85 135.00 137.06 2kma s PRO 43 Ca 0.00 1.99 0.41 0.00 0.04 0.00 0.00 61.00 63.45 2kma s PRO 43 Cb 0.00 -4.25 2.30 0.00 0.04 0.00 0.00 34.50 32.59 2kma s PRO 43 CO 0.00 -1.69 2.35 -1.00 0.04 0.00 0.00 177.00 176.70 2kma h PRO 44 N 13.07 0.00 0.00 0.56 0.13 -1.93 0.04 132.00 143.88 2kma h PRO 44 Ca -0.40 0.00 -0.03 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 0.97 0.00 -0.12 -0.91 -0.23 0.00 0.00 178.00 177.71 2kma h ASN 45 N 0.00 0.00 -0.83 1.44 2.35 -2.01 -2.01 115.58 114.53 2kma h ASN 45 Ca -0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 2kma h ASN 45 Cb 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 38.14 2kma h ASN 45 CO 0.00 0.12 0.44 0.47 -1.65 0.00 0.00 177.43 176.82 2kma n ASP 46 N -3.93 3.83 -4.22 5.81 8.00 0.00 -4.89 116.55 121.16 2kma n ASP 46 Ca -0.02 -3.53 -0.30 0.00 0.71 0.00 0.00 54.79 51.65 2kma n ASP 46 Cb 0.22 -0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 40.37 2kma n ASP 46 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kma s PHE 47 N -3.21 2.25 0.33 1.24 0.40 -0.76 0.70 117.98 118.93 2kma s PHE 47 Ca 0.54 -0.72 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 2kma s PHE 47 Cb 0.46 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 2kma s PHE 47 CO 0.10 -0.24 0.22 0.41 0.70 0.00 0.00 175.22 176.40 2kma n GLY 48 N 3.13 3.10 3.46 4.36 0.00 0.69 -4.71 105.19 115.22 2kma n GLY 48 Ca -0.18 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 4.82 -0.18 0.99 1.43 -1.26 -1.84 118.68 122.64 2kma s LEU 49 Ca 0.31 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2kma s LEU 49 Cb 0.02 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 2kma s LEU 49 CO 0.22 -0.36 0.12 0.12 0.23 0.00 0.00 176.35 176.68 2kma s PHE 50 N 1.67 3.43 -0.30 0.29 5.36 0.90 -0.01 117.98 129.31 2kma s PHE 50 Ca 0.05 0.34 -0.17 0.00 -0.96 0.00 0.00 56.93 56.19 2kma s PHE 50 Cb -0.18 -2.09 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 2kma s PHE 50 CO 0.09 0.38 0.47 -1.17 -1.46 0.00 0.00 175.22 173.53 2kma s LEU 51 N 0.00 4.17 -0.25 6.12 1.98 0.62 0.83 118.68 132.16 2kma s LEU 51 Ca 0.09 0.22 -0.12 0.00 -2.89 0.00 0.00 54.13 51.43 2kma s LEU 51 Cb -0.11 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 44.14 2kma s LEU 51 CO -0.00 -0.33 0.23 -0.44 -1.89 0.00 0.00 176.35 173.92 2kma s SER 52 N 1.66 6.15 -0.02 3.68 0.01 -1.02 -2.02 113.70 122.14 2kma s SER 52 Ca 0.18 0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.53 2kma s SER 52 Cb -0.16 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2kma s SER 52 CO 0.11 -0.02 -0.13 -0.67 0.41 0.00 0.00 173.24 172.93 2kma n ASP 53 N 4.70 1.29 0.00 2.44 2.03 -1.26 -4.36 116.55 121.37 2kma n ASP 53 Ca -0.13 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2kma n ASP 53 Cb 0.52 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -3.78 0.00 -4.78 1.67 2.03 -1.26 -5.04 116.55 105.39 2kma n ASP 54 Ca -0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.84 2kma n ASP 54 Cb 0.28 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 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 7.35 0.42 1.67 2.15 -1.26 -4.93 116.67 122.07 2kma s ASP 55 Ca 0.00 1.66 0.24 0.00 0.43 0.00 0.00 52.55 54.88 2kma s ASP 55 Cb 0.00 -2.51 1.25 0.00 -0.30 0.00 0.00 42.92 41.37 2kma s ASP 55 CO 0.00 0.14 1.71 1.55 -0.17 0.00 0.00 175.17 178.40 2kma h PRO 56 N 4.00 0.24 0.00 4.34 0.13 -1.91 0.13 132.00 138.93 2kma h PRO 56 Ca -0.47 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 2kma h PRO 56 Cb 1.20 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2kma h PRO 56 CO 0.66 0.16 -1.05 0.87 -0.23 0.00 0.00 178.00 178.41 2kma h LYS 57 N 0.25 0.00 0.00 0.86 1.57 -1.90 -3.23 116.57 114.11 2kma h LYS 57 Ca 0.68 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.35 2kma h LYS 57 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 2kma h LYS 57 CO -0.33 0.53 -0.54 0.87 -0.57 0.00 0.00 179.45 179.41 2kma h LYS 58 N 0.00 0.00 -6.92 3.15 1.57 -1.37 -3.42 116.57 109.58 2kma h LYS 58 Ca -0.09 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.20 2kma h LYS 58 Cb 1.60 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.94 2kma h LYS 58 CO 0.07 0.54 0.44 0.20 -0.57 0.00 0.00 179.45 180.13 2kma s GLY 59 N -4.45 2.83 0.04 3.86 0.00 -0.31 -4.61 107.32 104.68 2kma s GLY 59 Ca 0.01 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.50 2kma s GLY 59 CO 0.73 1.26 -0.03 -0.26 0.00 0.00 0.00 173.10 174.80 2kma s ILE 60 N -1.51 0.17 -0.19 0.90 -4.36 -0.86 -4.92 121.20 110.44 2kma s ILE 60 Ca 0.54 -1.41 -0.21 0.00 -0.26 0.00 0.00 60.65 59.31 2kma s ILE 60 Cb -0.25 -0.97 -0.02 0.00 1.25 0.00 0.00 42.46 42.46 2kma s ILE 60 CO 0.32 -0.78 0.66 0.26 0.24 0.00 0.00 174.94 175.64 2kma s TRP 61 N -2.85 3.38 -0.47 1.37 0.52 -1.26 -0.27 118.94 119.36 2kma s TRP 61 Ca -0.03 0.98 -0.24 0.00 0.02 0.00 0.00 56.10 56.83 2kma s TRP 61 Cb 0.00 -2.83 0.03 0.00 -1.15 0.00 0.00 33.47 29.52 2kma s TRP 61 CO -0.06 -0.18 0.86 -0.51 0.02 0.00 0.00 176.95 177.07 2kma s LEU 62 N 1.95 4.15 0.52 2.99 1.43 0.98 -4.97 118.68 125.73 2kma s LEU 62 Ca 0.30 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 2kma s LEU 62 Cb -0.16 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 2kma s LEU 62 CO 0.11 -1.01 0.99 -1.83 0.23 0.00 0.00 176.35 174.83 2kma s GLU 63 N 3.56 3.89 0.53 1.70 -1.05 -1.26 -4.17 118.70 121.90 2kma s GLU 63 Ca 0.32 0.97 0.25 0.00 -0.15 0.00 0.00 54.97 56.36 2kma s GLU 63 Cb -0.11 -2.13 1.49 0.00 -0.44 0.00 0.00 34.13 32.94 2kma s GLU 63 CO 0.23 -0.32 2.13 0.00 0.95 0.00 0.00 175.26 178.26 2kma h ALA 64 N 0.85 1.50 -0.12 -0.84 0.00 -1.96 -2.96 119.26 115.73 2kma h ALA 64 Ca -0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2kma h ALA 64 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2kma h ALA 64 CO 0.61 0.10 0.05 0.41 0.00 0.00 0.00 179.25 180.42 2kma n GLY 65 N -1.05 2.04 3.33 0.00 0.00 -1.26 -4.19 105.19 104.07 2kma n GLY 65 Ca -0.02 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.90 1.03 0.54 1.61 0.00 -1.12 -5.11 119.74 115.80 2kma s LYS 66 Ca 0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 55.97 55.45 2kma s LYS 66 Cb 0.07 0.46 -0.03 0.00 0.00 0.00 0.00 37.83 38.33 2kma s LYS 66 CO 0.02 -0.39 0.88 0.00 0.00 0.00 0.00 175.35 175.86 2kma s ALA 67 N -3.25 3.28 -0.02 0.59 0.00 -1.26 -2.85 121.76 118.26 2kma s ALA 67 Ca -0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 2kma s ALA 67 Cb 0.01 -2.74 -0.16 0.00 0.00 0.00 0.00 23.12 20.22 2kma s ALA 67 CO -0.08 -0.54 1.10 -0.07 0.00 0.00 0.00 175.76 176.17 2kma h LEU 68 N -0.02 -0.25 0.00 0.00 3.38 -1.89 -3.14 115.31 113.39 2kma h LEU 68 Ca -0.46 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2kma h LEU 68 Cb 1.21 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2kma h LEU 68 CO 0.62 0.20 0.00 -0.67 0.09 0.00 0.00 178.44 178.68 2kma n ASP 69 N -5.02 0.00 -0.09 -0.43 2.03 -1.20 -1.58 116.55 110.26 2kma n ASP 69 Ca -0.09 0.41 -0.01 0.00 0.52 0.00 0.00 54.79 55.62 2kma n ASP 69 Cb 0.26 -0.46 0.24 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.75 -0.30 -0.67 3.20 -1.78 -3.43 116.97 114.73 2kma h TYR 70 Ca 0.00 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2kma h TYR 70 Cb 0.24 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2kma h TYR 70 CO 0.00 0.63 0.00 0.66 -1.64 0.00 0.00 178.16 177.81 2kma n TYR 71 N -4.30 0.00 -0.38 -3.82 4.01 -0.61 -4.96 117.16 107.11 2kma n TYR 71 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 2kma n TYR 71 Cb 0.21 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.54 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kma n MET 72 N 0.00 3.83 -3.27 -0.72 2.81 -1.26 -4.94 117.12 113.56 2kma n MET 72 Ca 0.00 -2.33 -0.36 0.00 -1.81 0.00 0.00 57.70 53.20 2kma n MET 72 Cb 0.00 -2.04 -0.06 0.00 -0.71 0.00 0.00 33.22 30.41 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 -2.00 4.36 0.00 4.03 1.43 -1.26 -5.01 118.68 120.23 2kma s LEU 73 Ca 0.40 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 2kma s LEU 73 Cb 0.30 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2kma s LEU 73 CO 0.13 0.10 0.00 -2.11 0.23 0.00 0.00 176.35 174.69 2kma n ARG 74 N 0.86 0.00 -1.55 1.70 -4.01 -1.26 -4.43 116.66 107.96 2kma n ARG 74 Ca -0.05 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.37 2kma n ARG 74 Cb 0.51 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.90 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 -0.45 2.46 0.00 2.89 3.02 -1.26 -1.66 115.26 120.26 2kma n ASN 75 Ca 0.00 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2kma n ASN 75 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 2kma n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kma n GLY 76 N 6.01 1.21 3.80 7.41 0.00 -0.41 -4.85 105.19 118.36 2kma n GLY 76 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.98 7.13 -0.13 1.61 1.01 -0.66 -4.87 116.67 119.78 2kma s ASP 77 Ca 0.00 1.63 -0.16 0.00 0.71 0.00 0.00 52.55 54.73 2kma s ASP 77 Cb 0.00 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 2kma s ASP 77 CO 0.00 -0.10 0.38 -0.89 0.21 0.00 0.00 175.17 174.77 2kma s THR 78 N -1.72 5.24 -0.20 -1.27 2.01 -1.26 -1.66 115.64 116.77 2kma s THR 78 Ca 0.50 0.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.24 2kma s THR 78 Cb -0.16 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.69 2kma s THR 78 CO 0.20 0.38 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.15 2kma s MET 79 N 0.41 1.46 -0.10 4.92 1.75 0.15 -2.42 119.30 125.48 2kma s MET 79 Ca 0.21 -0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 2kma s MET 79 Cb -0.14 -2.28 -0.01 0.00 2.84 0.00 0.00 34.83 35.24 2kma s MET 79 CO 0.07 -0.52 0.99 -2.00 -0.65 0.00 0.00 175.02 172.92 2kma s GLU 80 N 1.55 4.43 -0.51 4.11 2.12 0.24 -2.72 118.70 127.92 2kma s GLU 80 Ca -0.02 1.37 -0.18 0.00 0.36 0.00 0.00 54.97 56.50 2kma s GLU 80 Cb -0.17 -3.53 0.07 0.00 0.26 0.00 0.00 34.13 30.76 2kma s GLU 80 CO -0.07 -0.28 0.56 -0.47 -0.54 0.00 0.00 175.26 174.46 2kma s TYR 81 N 1.90 3.11 0.22 5.30 6.14 -0.30 -0.07 117.35 133.64 2kma s TYR 81 Ca 0.48 -0.76 0.02 0.00 0.64 0.00 0.00 57.07 57.45 2kma s TYR 81 Cb -0.18 -3.52 -0.05 0.00 0.42 0.00 0.00 41.96 38.62 2kma s TYR 81 CO 0.19 -1.01 0.02 -0.98 0.64 0.00 0.00 175.55 174.41 2kma s ARG 82 N 2.29 1.27 0.16 4.97 1.70 -0.77 -4.41 118.95 124.16 2kma s ARG 82 Ca 0.11 -1.64 -0.32 0.00 -0.47 0.00 0.00 55.73 53.41 2kma s ARG 82 Cb -0.22 -0.42 -0.11 0.00 -0.57 0.00 0.00 34.95 33.63 2kma s ARG 82 CO 0.09 -0.15 1.66 0.21 -1.08 0.00 0.00 175.30 176.03 2kma s LYS 83 N -3.92 4.17 0.47 3.89 2.20 -1.26 -0.22 119.74 125.07 2kma s LYS 83 Ca 0.29 2.47 0.21 0.00 -0.36 0.00 0.00 55.97 58.58 2kma s LYS 83 Cb 0.06 -3.23 1.22 0.00 -1.51 0.00 0.00 37.83 34.37 2kma s LYS 83 CO 0.08 -0.70 1.92 0.87 -0.36 0.00 0.00 175.35 177.16 2kma h LYS 84 N 7.19 0.23 -5.96 4.03 1.79 -0.01 -3.41 116.57 120.43 2kma h LYS 84 Ca -0.43 -0.01 -0.61 0.00 -2.18 0.00 0.00 60.65 57.41 2kma h LYS 84 Cb 1.20 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.76 2kma h LYS 84 CO 0.94 0.15 -0.47 1.14 -1.08 0.00 0.00 179.45 180.13 2kma s GLN 85 N -5.24 3.47 0.26 3.15 -2.07 -1.26 0.39 119.66 118.36 2kma s GLN 85 Ca -0.07 -0.38 0.11 0.00 -1.82 0.00 0.00 55.36 53.20 2kma s GLN 85 Cb 0.21 -3.00 -0.05 0.00 -1.09 0.00 0.00 33.01 29.08 2kma s GLN 85 CO 0.76 0.58 -0.17 -0.98 -1.32 0.00 0.00 175.29 174.17 2kma s ARG 86 N -2.56 1.78 -0.60 9.60 1.04 -0.47 -4.81 118.95 122.93 2kma s ARG 86 Ca 0.36 -1.65 -0.26 0.00 -1.04 0.00 0.00 55.73 53.14 2kma s ARG 86 Cb -0.13 -1.87 -0.06 0.00 -2.04 0.00 0.00 34.95 30.85 2kma s ARG 86 CO 0.27 0.35 2.19 -1.25 -0.04 0.00 0.00 175.30 176.83 2kma s PRO 87 N -3.37 2.25 -0.36 3.89 0.04 -1.26 -3.10 135.00 133.08 2kma s PRO 87 Ca 0.29 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 2kma s PRO 87 Cb -0.06 -4.58 -0.01 0.00 0.04 0.00 0.00 34.50 29.90 2kma s PRO 87 CO 0.15 -3.24 0.29 -1.17 0.04 0.00 0.00 177.00 173.07 2kma s LEU 88 N 11.31 4.64 -0.39 -3.56 2.96 -0.82 -4.72 118.68 128.11 2kma s LEU 88 Ca 0.85 -0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 54.07 2kma s LEU 88 Cb -0.14 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.36 2kma s LEU 88 CO 0.20 -0.32 0.59 -0.54 -1.32 0.00 0.00 176.35 174.96 2kma s LYS 89 N 1.81 3.47 -0.09 1.98 3.01 -1.26 -1.40 119.74 127.25 2kma s LYS 89 Ca 0.07 -0.22 0.03 0.00 -1.01 0.00 0.00 55.97 54.85 2kma s LYS 89 Cb -0.17 -3.87 0.01 0.00 -1.01 0.00 0.00 37.83 32.78 2kma s LYS 89 CO 0.11 -0.82 -0.20 0.42 0.51 0.00 0.00 175.35 175.37 2kma s ILE 90 N 2.63 1.74 -0.21 2.17 -1.09 0.50 -0.36 121.20 126.59 2kma s ILE 90 Ca 0.21 -0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 2kma s ILE 90 Cb -0.15 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.17 2kma s ILE 90 CO 0.16 0.49 0.04 -0.60 -1.23 0.00 0.00 174.94 173.79 2kma s ARG 91 N 0.49 3.71 0.79 2.79 3.52 -0.45 0.20 118.95 130.00 2kma s ARG 91 Ca -0.17 -0.47 -0.10 0.00 -0.13 0.00 0.00 55.73 54.86 2kma s ARG 91 Cb -0.17 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.13 2kma s ARG 91 CO 0.07 0.01 1.14 -1.64 -0.81 0.00 0.00 175.30 174.07 2kma s MET 92 N 1.03 1.83 0.30 5.12 -1.94 0.29 -1.04 119.30 124.90 2kma s MET 92 Ca 0.03 -0.14 -0.01 0.00 -1.71 0.00 0.00 55.69 53.86 2kma s MET 92 Cb -0.14 -2.02 0.48 0.00 2.01 0.00 0.00 34.83 35.16 2kma s MET 92 CO 0.02 -1.60 1.95 -0.07 -0.01 0.00 0.00 175.02 175.32 2kma h LEU 93 N -0.97 0.92 0.00 -0.03 3.38 -1.86 0.28 115.31 117.03 2kma h LEU 93 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2kma h LEU 93 Cb 1.31 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kma h LEU 93 CO 0.59 0.64 0.00 -0.90 0.09 0.00 0.00 178.44 178.86 2kma n ASP 94 N -4.44 0.00 0.00 -0.43 5.75 -1.26 -4.85 116.55 111.33 2kma n ASP 94 Ca 0.11 0.30 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2kma n ASP 94 Cb 0.09 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2kma n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kma n GLY 95 N 0.72 1.08 3.75 6.12 0.00 0.97 -5.08 105.19 112.75 2kma n GLY 95 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2kma n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kma s THR 96 N -2.00 5.32 -0.10 2.61 2.01 -1.22 -4.78 115.64 117.49 2kma s THR 96 Ca 0.00 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.43 2kma s THR 96 Cb 0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2kma s THR 96 CO 0.00 0.44 0.04 0.54 -0.69 0.00 0.00 174.62 174.96 2kma s VAL 97 N 0.14 4.68 0.06 3.82 0.11 -1.26 0.11 120.40 128.05 2kma s VAL 97 Ca 0.15 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2kma s VAL 97 Cb -0.13 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2kma s VAL 97 CO 0.04 0.61 -0.06 -1.59 -3.33 0.00 0.00 175.10 170.76 2kma s LYS 98 N -0.88 0.60 -0.29 1.54 -2.85 0.13 -4.97 119.74 113.02 2kma s LYS 98 Ca 0.13 -0.96 -0.01 0.00 -1.00 0.00 0.00 55.97 54.14 2kma s LYS 98 Cb -0.12 -0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.53 2kma s LYS 98 CO 0.03 0.00 -0.02 0.99 0.10 0.00 0.00 175.35 176.45 2kma s THR 99 N -2.30 2.87 0.07 3.79 2.01 -1.26 -0.37 115.64 120.45 2kma s THR 99 Ca -0.03 -1.36 0.09 0.00 0.31 0.00 0.00 61.69 60.70 2kma s THR 99 Cb -0.04 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 2kma s THR 99 CO -0.02 -0.05 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.12 2kma s ILE 100 N 1.25 1.91 -0.41 1.82 -1.16 -0.50 -4.88 121.20 119.23 2kma s ILE 100 Ca -0.05 -1.41 -0.20 0.00 -0.51 0.00 0.00 60.65 58.48 2kma s ILE 100 Cb -0.19 -1.67 0.02 0.00 0.61 0.00 0.00 42.46 41.22 2kma s ILE 100 CO -0.02 0.19 0.61 -0.04 -2.81 0.00 0.00 174.94 172.86 2kma s MET 101 N -1.47 3.39 0.01 3.50 -1.94 -1.26 -1.94 119.30 119.58 2kma s MET 101 Ca 0.10 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.86 2kma s MET 101 Cb -0.10 -3.91 -0.02 0.00 2.01 0.00 0.00 34.83 32.82 2kma s MET 101 CO 0.03 -0.90 -0.24 0.08 -0.01 0.00 0.00 175.02 173.98 2kma s VAL 102 N 2.69 1.93 0.15 -6.03 1.01 -1.18 -4.82 120.40 114.15 2kma s VAL 102 Ca 0.22 -1.14 -0.31 0.00 0.00 0.00 0.00 61.98 60.74 2kma s VAL 102 Cb -0.15 -1.62 -0.11 0.00 0.00 0.00 0.00 36.38 34.50 2kma s VAL 102 CO 0.17 0.45 1.79 -1.81 0.00 0.00 0.00 175.10 175.70 2kma s ASP 103 N -0.81 6.41 0.44 3.32 1.01 -1.26 -1.37 116.67 124.41 2kma s ASP 103 Ca 0.10 2.80 0.24 0.00 0.71 0.00 0.00 52.55 56.39 2kma s ASP 103 Cb -0.09 -2.58 0.41 0.00 1.01 0.00 0.00 42.92 41.67 2kma s ASP 103 CO 0.00 -0.99 1.63 -0.78 0.21 0.00 0.00 175.17 175.24 2kma h ASP 104 N 7.95 0.00 -0.12 0.27 3.58 -0.39 -3.33 116.42 124.38 2kma h ASP 104 Ca -0.45 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 2kma h ASP 104 Cb 1.21 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.23 2kma h ASP 104 CO 0.95 0.02 0.07 -0.24 -2.88 0.00 0.00 179.24 177.16 2kma n SER 105 N -3.10 2.81 -3.06 2.28 2.88 -1.25 -4.48 113.62 109.70 2kma n SER 105 Ca 0.04 -2.19 -0.12 0.00 -1.33 0.00 0.00 58.87 55.26 2kma n SER 105 Cb 0.52 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.59 2.09 0.94 -1.46 0.00 -1.25 -5.08 119.74 114.39 2kma s LYS 106 Ca 0.07 -1.62 -0.13 0.00 0.00 0.00 0.00 55.97 54.29 2kma s LYS 106 Cb 0.06 0.53 0.21 0.00 0.00 0.00 0.00 37.83 38.64 2kma s LYS 106 CO 0.02 -0.93 1.28 0.25 0.00 0.00 0.00 175.35 175.97 2kma n THR 107 N -0.56 0.00 0.18 3.79 -2.24 -1.26 -4.18 114.28 110.01 2kma n THR 107 Ca -0.04 -1.12 -0.13 0.00 -2.27 0.00 0.00 64.05 60.50 2kma n THR 107 Cb 0.61 -1.38 -0.08 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.55 0.58 -0.86 2.28 2.07 -1.83 -2.76 116.25 114.18 2kma h VAL 108 Ca -0.42 -0.60 0.19 0.00 0.82 0.00 0.00 66.70 66.70 2kma h VAL 108 Cb 1.21 0.84 -0.12 0.00 -1.52 0.00 0.00 31.29 31.71 2kma h VAL 108 CO 0.32 0.10 0.37 0.74 0.02 0.00 0.00 177.57 179.12 2kma h THR 109 N -0.85 0.54 -0.23 2.57 2.02 -1.94 0.61 112.91 115.63 2kma h THR 109 Ca -0.05 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2kma h THR 109 Cb 0.53 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2kma h THR 109 CO 0.08 0.08 -0.04 -0.78 0.37 0.00 0.00 175.52 175.22 2kma h ASP 110 N 0.43 0.44 -0.59 4.18 1.82 -1.95 -1.82 116.42 118.94 2kma h ASP 110 Ca 0.52 -0.36 -0.05 0.00 -0.39 0.00 0.00 57.03 56.75 2kma h ASP 110 Cb 0.91 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2kma h ASP 110 CO -0.49 0.70 0.18 -0.03 -1.61 0.00 0.00 179.24 177.99 2kma h MET 111 N 0.18 0.92 -0.23 0.28 4.05 -0.90 -2.76 114.93 116.47 2kma h MET 111 Ca 0.06 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 2kma h MET 111 Cb 0.49 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 2kma h MET 111 CO 0.02 0.83 -0.10 1.25 0.23 0.00 0.00 176.91 179.14 2kma h LEU 112 N 0.84 0.36 -0.99 3.39 5.85 0.27 -1.11 115.31 123.90 2kma h LEU 112 Ca 0.19 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2kma h LEU 112 Cb 0.29 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 2kma h LEU 112 CO -0.01 0.50 0.64 -0.03 -0.34 0.00 0.00 178.44 179.20 2kma h MET 113 N 0.36 1.08 -0.05 1.25 4.05 -1.04 -1.36 114.93 119.23 2kma h MET 113 Ca 0.07 -0.06 -0.23 0.00 -0.28 0.00 0.00 59.70 59.20 2kma h MET 113 Cb 0.40 -0.24 0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2kma h MET 113 CO 0.02 0.71 -0.89 1.15 0.23 0.00 0.00 176.91 178.13 2kma h THR 114 N 1.11 1.34 0.08 -0.77 2.02 -1.14 -2.97 112.91 112.60 2kma h THR 114 Ca 0.45 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 65.38 2kma h THR 114 Cb 0.26 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2kma h THR 114 CO -0.20 0.68 -0.04 0.40 0.37 0.00 0.00 175.52 176.74 2kma h ILE 115 N 0.34 1.18 0.00 3.11 2.04 -0.71 -2.70 117.51 120.78 2kma h ILE 115 Ca -0.08 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.55 2kma h ILE 115 Cb 1.52 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 2kma h ILE 115 CO 0.17 0.28 -0.17 0.00 0.00 0.00 0.00 178.15 178.43 2kma h ALA 117 N 1.83 1.33 -0.69 0.00 0.00 -1.43 0.14 119.26 120.44 2kma h ALA 117 Ca -0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2kma h ALA 117 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2kma h ALA 117 CO 0.02 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.93 2kma h ARG 118 N 0.08 1.11 0.00 0.00 2.47 -0.80 -2.53 114.38 114.71 2kma h ARG 118 Ca 0.01 -0.26 -0.18 0.00 -1.26 0.00 0.00 59.98 58.28 2kma h ARG 118 Cb 0.67 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 2kma h ARG 118 CO 0.05 0.98 -0.87 0.82 0.56 0.00 0.00 179.97 181.51 2kma h ILE 119 N 1.04 1.59 0.00 2.04 1.08 -1.47 -3.47 117.51 118.31 2kma h ILE 119 Ca 0.22 -2.87 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 2kma h ILE 119 Cb 0.37 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.68 2kma h ILE 119 CO 0.00 0.82 0.00 0.61 -0.69 0.00 0.00 178.15 178.89 2kma n GLY 120 N 0.93 1.54 0.16 5.37 0.00 -0.40 -5.01 105.19 107.78 2kma n GLY 120 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2kma n GLY 120 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kma h ILE 121 N 0.00 1.41 0.00 -0.61 2.04 -1.03 -3.47 117.51 115.85 2kma h ILE 121 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 2kma h ILE 121 Cb 0.00 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2kma h ILE 121 CO 0.00 0.68 0.00 0.41 0.00 0.00 0.00 178.15 179.24 2kma n THR 122 N -3.79 0.00 -2.57 -0.27 -1.04 -1.25 -4.78 114.28 100.59 2kma n THR 122 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 2kma n THR 122 Cb 0.73 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.21 2kma n THR 122 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2kma s ASN 123 N 0.00 6.32 0.00 8.00 2.47 -1.26 -4.76 114.94 125.71 2kma s ASN 123 Ca 0.00 -0.94 0.22 0.00 0.42 0.00 0.00 52.86 52.56 2kma s ASN 123 Cb 0.00 -2.56 -0.08 0.00 -1.45 0.00 0.00 41.25 37.16 2kma s ASN 123 CO 0.00 -1.67 1.00 0.00 -3.72 0.00 0.00 177.10 172.72 2kma n HIS 124 N 9.06 0.00 0.24 0.43 1.44 -1.26 -4.21 115.22 120.92 2kma n HIS 124 Ca 0.16 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.99 2kma n HIS 124 Cb 0.50 -0.05 0.57 0.00 0.12 0.00 0.00 29.99 31.12 2kma n HIS 124 CO 0.00 0.00 0.00 0.22 -2.81 0.00 0.00 176.34 173.75 2kma h ASP 125 N 0.02 0.00 0.20 4.39 3.58 -1.95 -2.29 116.42 120.37 2kma h ASP 125 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kma h ASP 125 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kma h ASP 125 CO 0.00 0.18 0.00 -0.62 -2.88 0.00 0.00 179.24 175.92 2kma n GLU 126 N -3.45 0.34 -4.30 0.28 1.02 -1.26 -4.76 120.64 108.51 2kma n GLU 126 Ca -0.01 0.09 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 2kma n GLU 126 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.37 2.59 0.43 -0.32 2.02 -0.86 0.22 117.35 119.05 2kma s TYR 127 Ca 0.19 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 56.71 2kma s TYR 127 Cb 0.11 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.31 2kma s TYR 127 CO 0.23 0.47 0.01 -1.12 -1.57 0.00 0.00 175.55 173.58 2kma s SER 128 N -2.59 3.84 -0.02 2.29 0.01 -0.07 -4.76 113.70 112.40 2kma s SER 128 Ca 0.23 -1.44 0.02 0.00 1.31 0.00 0.00 55.95 56.07 2kma s SER 128 Cb -0.09 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2kma s SER 128 CO 0.13 -0.55 -0.06 -0.22 0.41 0.00 0.00 173.24 172.95 2kma s LEU 129 N -3.73 3.19 -0.12 2.44 0.20 -1.23 -2.64 118.68 116.80 2kma s LEU 129 Ca 0.29 -0.10 -0.02 0.00 0.69 0.00 0.00 54.13 54.98 2kma s LEU 129 Cb 0.08 -1.79 0.04 0.00 -0.43 0.00 0.00 46.19 44.09 2kma s LEU 129 CO 0.15 0.30 0.03 0.54 -0.29 0.00 0.00 176.35 177.08 2kma s VAL 130 N -0.95 0.27 -0.50 1.68 0.11 -0.93 0.13 120.40 120.21 2kma s VAL 130 Ca 0.16 -0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 2kma s VAL 130 Cb -0.11 -0.62 0.10 0.00 -1.53 0.00 0.00 36.38 34.22 2kma s VAL 130 CO 0.06 0.03 0.44 -0.13 -3.33 0.00 0.00 175.10 172.16 2kma s ARG 131 N 2.00 2.93 -0.42 1.54 0.52 0.19 -0.04 118.95 125.67 2kma s ARG 131 Ca 0.03 -1.56 -0.28 0.00 -0.52 0.00 0.00 55.73 53.40 2kma s ARG 131 Cb -0.14 -4.18 0.02 0.00 0.52 0.00 0.00 34.95 31.17 2kma s ARG 131 CO -0.06 -1.18 1.05 -1.21 0.02 0.00 0.00 175.30 173.91 2kma s GLU 132 N 1.59 3.80 0.55 3.54 2.02 -0.91 -3.35 118.70 125.94 2kma s GLU 132 Ca 0.04 0.63 0.06 0.00 0.02 0.00 0.00 54.97 55.72 2kma s GLU 132 Cb -0.27 -3.85 0.05 0.00 0.10 0.00 0.00 34.13 30.16 2kma s GLU 132 CO 0.04 -1.16 0.48 -0.51 0.02 0.00 0.00 175.26 174.13 2kma s LEU 133 N 3.97 2.77 0.00 1.80 1.43 -1.22 -3.54 118.68 123.88 2kma s LEU 133 Ca 0.44 -1.18 0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2kma s LEU 133 Cb -0.10 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.76 2kma s LEU 133 CO 0.24 -1.16 0.83 1.15 0.23 0.00 0.00 176.35 177.65 2kma n MET 134 N -1.86 1.43 -1.64 1.70 0.00 -1.26 -4.69 117.12 110.80 2kma n MET 134 Ca 0.02 -0.43 -0.50 0.00 0.00 0.00 0.00 57.70 56.79 2kma n MET 134 Cb 0.64 -1.32 -0.05 0.00 0.00 0.00 0.00 33.22 32.48 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 -0.76 1.62 0.29 3.17 1.02 -1.26 -4.79 120.64 119.93 2kma n GLU 135 Ca 0.05 0.59 0.16 0.00 -0.02 0.00 0.00 57.16 57.94 2kma n GLU 135 Cb 0.32 -2.30 0.88 0.00 -0.02 0.00 0.00 31.44 30.32 2kma n GLU 135 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kma h GLU 136 N 5.97 0.00 0.00 3.49 4.11 -2.00 0.11 114.58 126.26 2kma h GLU 136 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kma h GLU 136 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kma h GLU 136 CO 0.86 0.05 0.00 1.63 0.07 0.00 0.00 179.01 181.62 2kma n LYS 137 N -3.47 0.00 0.00 1.06 5.02 -1.26 -4.62 118.16 114.89 2kma n LYS 137 Ca -0.02 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2kma n LYS 137 Cb 0.18 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 2kma n LYS 137 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kma n LYS 138 N -1.46 0.00 -2.70 1.97 4.01 -1.22 -4.88 118.16 113.87 2kma n LYS 138 Ca 0.00 0.28 -0.15 0.00 -0.51 0.00 0.00 58.31 57.92 2kma n LYS 138 Cb 0.00 -1.19 -0.00 0.00 -0.51 0.00 0.00 35.03 33.32 2kma n LYS 138 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2kma n ASP 169 N -1.33 -3.95 -3.06 4.39 2.03 0.39 -4.95 116.55 110.07 2kma n ASP 169 Ca 0.00 0.03 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 2kma n ASP 169 Cb 0.00 -3.32 -0.02 0.00 -0.72 0.00 0.00 41.12 37.06 2kma n ASP 169 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kma n GLU 170 N -3.10 1.39 0.15 -0.67 0.28 -1.26 -4.96 120.64 112.46 2kma n GLU 170 Ca -0.11 -1.40 0.09 0.00 -0.16 0.00 0.00 57.16 55.59 2kma n GLU 170 Cb 0.59 0.29 0.06 0.00 1.43 0.00 0.00 31.44 33.82 2kma n GLU 170 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 2kma h LEU 171 N 0.00 0.00 -3.09 -1.84 3.38 -1.93 -3.25 115.31 108.59 2kma h LEU 171 Ca -0.15 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.56 2kma h LEU 171 Cb 0.49 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2kma h LEU 171 CO 0.25 0.12 -0.84 0.59 0.09 0.00 0.00 178.44 178.65 2kma n ASN 172 N -2.94 -6.36 -4.52 -0.43 3.02 -1.21 0.54 115.26 103.36 2kma n ASN 172 Ca 0.01 -0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 2kma n ASN 172 Cb 0.59 -3.17 -0.04 0.00 -0.61 0.00 0.00 39.78 36.56 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 -2.27 2.76 -0.09 3.10 0.52 -1.26 0.03 118.94 121.72 2kma s TRP 173 Ca 0.23 -0.04 -0.29 0.00 0.02 0.00 0.00 56.10 56.01 2kma s TRP 173 Cb -0.04 -4.13 -0.04 0.00 -1.15 0.00 0.00 33.47 28.11 2kma s TRP 173 CO 0.84 -1.41 1.57 -0.51 0.02 0.00 0.00 176.95 177.45 2kma s LEU 174 N 4.06 4.25 -0.04 2.99 1.43 0.36 -4.86 118.68 126.87 2kma s LEU 174 Ca 0.30 2.06 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 2kma s LEU 174 Cb -0.12 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 42.75 2kma s LEU 174 CO 0.19 -0.92 0.94 0.47 0.23 0.00 0.00 176.35 177.25 2kma n ASP 175 N 7.15 1.75 -0.86 2.29 8.00 -1.26 -3.47 116.55 130.16 2kma n ASP 175 Ca 0.17 -2.15 -0.11 0.00 0.71 0.00 0.00 54.79 53.41 2kma n ASP 175 Cb 0.43 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2kma n HIS 176 N 0.12 0.00 -2.07 1.24 8.25 -1.26 -4.77 115.22 116.73 2kma n HIS 176 Ca 0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.53 2kma n HIS 176 Cb 0.37 -2.39 0.00 0.00 1.12 0.00 0.00 29.99 29.09 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 -0.73 0.57 2.94 -1.41 0.00 -1.26 -4.50 105.19 100.79 2kma n GLY 177 Ca -0.11 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 1.60 0.47 1.61 6.06 -1.26 -5.05 118.95 122.37 2kma s ARG 178 Ca 0.05 -0.30 -0.17 0.00 -2.50 0.00 0.00 55.73 52.81 2kma s ARG 178 Cb 0.05 -1.57 -0.09 0.00 0.06 0.00 0.00 34.95 33.41 2kma s ARG 178 CO -0.02 -0.20 0.93 -0.08 -2.50 0.00 0.00 175.30 173.43 2kma s THR 179 N 1.47 4.54 0.18 4.11 -1.32 -1.26 -4.01 115.64 119.34 2kma s THR 179 Ca 0.01 1.20 0.19 0.00 -1.21 0.00 0.00 61.69 61.88 2kma s THR 179 Cb -0.13 -3.68 0.15 0.00 -1.51 0.00 0.00 72.50 67.32 2kma s THR 179 CO -0.06 -0.54 1.75 -0.07 -2.21 0.00 0.00 174.62 173.49 2kma h LEU 180 N 1.30 0.00 -0.38 9.08 3.38 -1.79 -2.79 115.31 124.10 2kma h LEU 180 Ca -0.47 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2kma h LEU 180 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kma h LEU 180 CO 0.62 0.35 -0.06 -0.09 0.09 0.00 0.00 178.44 179.35 2kma h ARG 181 N 0.00 0.00 0.00 1.13 9.65 -1.91 -2.70 114.38 120.55 2kma h ARG 181 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kma h ARG 181 Cb 0.86 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 2kma h ARG 181 CO 0.05 0.06 -0.99 -0.85 2.80 0.00 0.00 179.97 181.03 2kma n GLU 182 N -3.13 0.15 0.10 0.20 0.28 -1.07 -4.04 120.64 113.14 2kma n GLU 182 Ca 0.03 -0.02 -0.22 0.00 -0.16 0.00 0.00 57.16 56.79 2kma n GLU 182 Cb 0.49 -1.54 -0.13 0.00 1.43 0.00 0.00 31.44 31.70 2kma n GLU 182 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2kma h GLN 183 N 0.00 0.60 0.00 3.44 4.20 -1.29 -3.48 115.11 118.58 2kma h GLN 183 Ca 0.00 -0.84 0.00 0.00 0.06 0.00 0.00 58.65 57.87 2kma h GLN 183 Cb 0.62 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2kma h GLN 183 CO 0.00 1.38 0.00 0.41 -0.67 0.00 0.00 178.83 179.95 2kma n GLY 184 N 1.43 0.45 3.80 3.46 0.00 -1.06 -5.00 105.19 108.27 2kma n GLY 184 Ca -0.14 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -2.00 3.69 0.71 1.61 -7.23 -1.25 -4.85 120.40 111.07 2kma s VAL 185 Ca 0.00 0.66 0.01 0.00 -1.81 0.00 0.00 61.98 60.84 2kma s VAL 185 Cb 0.00 -3.25 0.13 0.00 0.56 0.00 0.00 36.38 33.82 2kma s VAL 185 CO 0.00 -0.60 0.98 -1.61 -0.31 0.00 0.00 175.10 173.55 2kma s GLU 186 N -4.55 1.71 0.01 4.82 0.41 -1.26 -5.00 118.70 114.84 2kma s GLU 186 Ca 0.62 -1.22 0.20 0.00 -0.41 0.00 0.00 54.97 54.16 2kma s GLU 186 Cb -0.16 -2.37 -0.20 0.00 -1.78 0.00 0.00 34.13 29.62 2kma s GLU 186 CO 0.47 -1.41 0.62 0.39 -0.49 0.00 0.00 175.26 174.84 2kma n GLU 187 N -2.78 0.64 -0.02 1.61 1.02 -1.26 -4.11 120.64 115.74 2kma n GLU 187 Ca 0.16 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 2kma n GLU 187 Cb 0.61 -1.66 0.59 0.00 -0.02 0.00 0.00 31.44 30.96 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kma n HIS 188 N -2.60 0.06 -2.86 -0.32 1.44 -1.26 -4.66 115.22 105.01 2kma n HIS 188 Ca -0.10 -0.03 -0.40 0.00 -2.01 0.00 0.00 57.72 55.19 2kma n HIS 188 Cb 0.74 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.79 2kma n HIS 188 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2kma s GLU 189 N -1.94 4.71 -0.07 -1.40 0.41 -1.26 -5.02 118.70 114.12 2kma s GLU 189 Ca 0.36 1.32 -0.30 0.00 -0.41 0.00 0.00 54.97 55.95 2kma s GLU 189 Cb 0.18 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.24 2kma s GLU 189 CO 0.29 0.54 1.03 0.99 -0.49 0.00 0.00 175.26 177.62 2kma s THR 190 N -1.13 4.72 -0.03 3.63 2.01 -1.23 -4.43 115.64 119.18 2kma s THR 190 Ca 0.39 1.98 0.04 0.00 0.31 0.00 0.00 61.69 64.40 2kma s THR 190 Cb -0.24 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 2kma s THR 190 CO 0.29 0.04 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.38 2kma s LEU 191 N 1.79 2.86 -0.07 4.42 2.01 0.51 -2.15 118.68 128.05 2kma s LEU 191 Ca 0.50 -0.19 0.02 0.00 0.01 0.00 0.00 54.13 54.48 2kma s LEU 191 Cb -0.20 -1.61 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 2kma s LEU 191 CO 0.21 0.33 -0.12 -0.76 1.01 0.00 0.00 176.35 177.02 2kma s LEU 192 N -0.94 2.88 -0.19 1.79 1.43 0.95 -1.34 118.68 123.26 2kma s LEU 192 Ca 0.13 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.83 2kma s LEU 192 Cb -0.11 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2kma s LEU 192 CO 0.02 0.32 0.75 -0.22 0.23 0.00 0.00 176.35 177.44 2kma s LEU 193 N -0.54 4.15 0.07 1.79 0.20 -0.20 -2.20 118.68 121.94 2kma s LEU 193 Ca 0.08 1.02 0.08 0.00 0.69 0.00 0.00 54.13 55.99 2kma s LEU 193 Cb -0.12 -3.08 -0.03 0.00 -0.43 0.00 0.00 46.19 42.53 2kma s LEU 193 CO 0.02 -0.36 -0.20 -0.13 -0.29 0.00 0.00 176.35 175.39 2kma s ARG 194 N 2.12 1.25 -0.18 1.98 1.81 -1.08 -4.19 118.95 120.65 2kma s ARG 194 Ca 0.34 -1.02 -0.19 0.00 -1.72 0.00 0.00 55.73 53.14 2kma s ARG 194 Cb -0.16 -1.42 -0.03 0.00 -0.45 0.00 0.00 34.95 32.89 2kma s ARG 194 CO 0.11 0.35 0.54 0.50 -0.68 0.00 0.00 175.30 176.12 2kma s ARG 195 N -1.48 4.23 -0.26 3.54 3.52 -1.26 -0.89 118.95 126.35 2kma s ARG 195 Ca 0.07 0.47 -0.08 0.00 -0.13 0.00 0.00 55.73 56.05 2kma s ARG 195 Cb -0.09 -3.54 -0.13 0.00 -1.56 0.00 0.00 34.95 29.63 2kma s ARG 195 CO 0.03 -0.11 -0.30 1.17 -0.81 0.00 0.00 175.30 175.28 2kma n LYS 196 N 4.62 0.58 -3.51 5.12 4.81 0.13 -4.86 118.16 125.05 2kma n LYS 196 Ca -0.04 0.21 -0.36 0.00 -0.87 0.00 0.00 58.31 57.25 2kma n LYS 196 Cb 0.50 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 2kma n LYS 196 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kma s PHE 197 N -2.49 3.63 -0.11 5.64 0.08 0.17 -4.99 117.98 119.91 2kma s PHE 197 Ca -0.36 0.90 0.14 0.00 0.12 0.00 0.00 56.93 57.73 2kma s PHE 197 Cb 0.12 -2.24 0.27 0.00 -0.57 0.00 0.00 43.02 40.60 2kma s PHE 197 CO 0.50 0.53 1.13 1.19 -0.10 0.00 0.00 175.22 178.47 2kma n PHE 198 N 1.11 0.00 0.17 0.36 3.72 -1.26 -4.77 117.46 116.79 2kma n PHE 198 Ca -0.09 -0.85 0.04 0.00 -0.05 0.00 0.00 57.45 56.51 2kma n PHE 198 Cb 0.52 -0.15 0.19 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.28 0.00 -4.58 1.38 -0.00 -1.96 -3.47 116.97 108.62 2kma h TYR 199 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 58.73 58.30 2kma h TYR 199 Cb 1.16 0.00 0.06 0.00 0.00 0.00 0.00 36.73 37.95 2kma h TYR 199 CO 0.19 0.44 -0.61 0.43 -0.00 0.00 0.00 178.16 178.60 2kma n SER 200 N -3.37 -6.13 -0.03 0.10 7.64 -1.26 -0.44 113.62 110.12 2kma n SER 200 Ca 0.01 -0.31 -0.00 0.00 1.01 0.00 0.00 58.87 59.58 2kma n SER 200 Cb 0.62 -4.95 -0.00 0.00 -1.01 0.00 0.00 64.21 58.87 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 -2.56 -4.84 -0.62 6.43 2.03 -1.26 -5.24 116.55 110.49 2kma n ASP 201 Ca -0.11 0.01 0.08 0.00 0.52 0.00 0.00 54.79 55.29 2kma n ASP 201 Cb 0.62 -2.38 0.06 0.00 -0.72 0.00 0.00 41.12 38.70 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95