#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 -0.03 -0.38 -0.61 2.07 -1.26 -5.13 121.20 115.87 2kma s ILE -4 Ca 0.00 0.09 -0.18 0.00 -1.41 0.00 0.00 60.65 59.16 2kma s ILE -4 Cb 0.00 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 42.01 2kma s ILE -4 CO 0.00 0.04 0.49 1.51 -1.91 0.00 0.00 174.94 175.06 2kma s ASP -3 N 1.35 6.26 0.64 4.50 -4.77 -1.26 -5.07 116.67 118.33 2kma s ASP -3 Ca -0.09 -0.30 -0.06 0.00 -3.30 0.00 0.00 52.55 48.80 2kma s ASP -3 Cb -0.08 -2.25 0.03 0.00 -1.09 0.00 0.00 42.92 39.53 2kma s ASP -3 CO -0.12 -0.53 0.95 -2.16 0.70 0.00 0.00 175.17 174.01 2kma s PRO -2 N 2.32 2.62 -0.57 2.11 0.04 -1.26 -5.05 135.00 135.21 2kma s PRO -2 Ca 0.16 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.11 2kma s PRO -2 Cb -0.16 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.30 2kma s PRO -2 CO 0.14 -0.92 0.34 -0.06 0.04 0.00 0.00 177.00 176.54 2kma s PHE -1 N -3.10 3.29 0.00 0.56 0.08 -1.26 -5.08 117.98 112.47 2kma s PHE -1 Ca 0.57 -3.03 0.00 0.00 0.12 0.00 0.00 56.93 54.58 2kma s PHE -1 Cb -0.11 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2kma s PHE -1 CO 0.45 -0.76 0.00 0.25 -0.10 0.00 0.00 175.22 175.06 2kma n THR 0 N 3.15 0.00 -0.36 0.64 -2.24 -1.26 -4.80 114.28 109.41 2kma n THR 0 Ca 0.07 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2kma n THR 0 Cb 0.34 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 67.73 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 1.11 -2.77 -0.78 1.56 -1.26 -3.25 117.12 111.74 2kma n MET 1 Ca 0.00 -0.22 -0.11 0.00 -0.27 0.00 0.00 57.70 57.10 2kma n MET 1 Cb 0.00 -1.09 0.02 0.00 2.15 0.00 0.00 33.22 34.30 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 1.20 0.72 -3.20 1.12 0.24 -1.26 -4.99 118.33 112.15 2kma n VAL 2 Ca 0.04 -3.28 -0.13 0.00 -2.04 0.00 0.00 64.34 58.93 2kma n VAL 2 Cb 0.52 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 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 -2.84 -0.83 -0.01 2.33 0.00 -1.20 -3.82 121.76 115.38 2kma s ALA 3 Ca 0.29 -0.91 -0.40 0.00 0.00 0.00 0.00 51.96 50.94 2kma s ALA 3 Cb 0.44 -2.25 -0.20 0.00 0.00 0.00 0.00 23.12 21.11 2kma s ALA 3 CO 0.01 -2.15 1.11 1.28 0.00 0.00 0.00 175.76 176.01 2kma n LEU 4 N 3.72 0.19 -4.45 0.00 4.77 -0.11 -4.57 117.00 116.55 2kma n LEU 4 Ca 0.16 1.16 -0.44 0.00 -0.03 0.00 0.00 56.01 56.86 2kma n LEU 4 Cb 0.50 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2kma n LEU 4 CO 0.05 -1.79 0.31 -0.44 -1.33 0.00 0.00 177.39 174.19 2kma s SER 5 N 0.15 6.23 -0.03 -1.43 0.01 -1.26 -1.51 113.70 115.86 2kma s SER 5 Ca 0.91 -0.88 0.06 0.00 1.31 0.00 0.00 55.95 57.34 2kma s SER 5 Cb -1.25 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 62.67 2kma s SER 5 CO 0.57 -0.86 -0.19 -0.76 0.41 0.00 0.00 173.24 172.42 2kma s LEU 6 N 2.57 2.50 -0.46 2.44 1.43 0.10 -0.73 118.68 126.52 2kma s LEU 6 Ca 0.15 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2kma s LEU 6 Cb -0.19 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2kma s LEU 6 CO 0.12 0.33 0.75 -0.54 0.23 0.00 0.00 176.35 177.24 2kma s LYS 7 N -0.79 3.34 -0.46 1.70 1.02 -0.65 -0.99 119.74 122.91 2kma s LYS 7 Ca 0.11 -0.27 -0.19 0.00 0.02 0.00 0.00 55.97 55.64 2kma s LYS 7 Cb -0.10 -3.97 0.03 0.00 -0.52 0.00 0.00 37.83 33.27 2kma s LYS 7 CO 0.01 -1.14 0.59 0.42 -0.92 0.00 0.00 175.35 174.30 2kma s ILE 8 N 3.19 4.90 -0.17 2.17 1.09 0.21 0.73 121.20 133.31 2kma s ILE 8 Ca 0.27 -0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.54 2kma s ILE 8 Cb -0.13 -4.20 -0.05 0.00 -1.06 0.00 0.00 42.46 37.02 2kma s ILE 8 CO 0.20 -0.63 0.13 -0.44 -0.10 0.00 0.00 174.94 174.10 2kma s SER 9 N 2.18 6.22 -0.57 3.58 0.01 -1.03 0.79 113.70 124.88 2kma s SER 9 Ca 0.18 0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.79 2kma s SER 9 Cb -0.16 -2.06 0.14 0.00 0.21 0.00 0.00 66.02 64.15 2kma s SER 9 CO 0.15 0.27 0.33 -0.63 0.41 0.00 0.00 173.24 173.77 2kma s ILE 10 N -0.20 2.60 0.00 1.44 1.01 0.19 -0.49 121.20 125.76 2kma s ILE 10 Ca 0.10 -3.56 0.00 0.00 0.00 0.00 0.00 60.65 57.20 2kma s ILE 10 Cb -0.11 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2kma s ILE 10 CO 0.00 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 174.69 2kma n GLY 11 N 2.80 1.39 0.95 6.18 0.00 -1.26 -3.12 105.19 112.13 2kma n GLY 11 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 3.29 0.18 -4.77 1.61 5.15 -1.26 -5.10 115.26 114.36 2kma n ASN 12 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 2kma n ASN 12 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 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 -1.54 3.20 -0.03 3.44 0.11 -1.18 -5.04 120.40 119.35 2kma s VAL 13 Ca 0.00 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.58 2kma s VAL 13 Cb 0.00 -3.04 0.03 0.00 -1.53 0.00 0.00 36.38 31.83 2kma s VAL 13 CO 0.00 -0.37 0.03 0.54 -3.33 0.00 0.00 175.10 171.96 2kma s VAL 14 N -2.41 0.02 0.06 2.04 0.11 -1.26 0.53 120.40 119.49 2kma s VAL 14 Ca 0.66 0.23 0.08 0.00 -2.93 0.00 0.00 61.98 60.03 2kma s VAL 14 Cb -0.20 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2kma s VAL 14 CO 0.44 0.14 -0.21 -0.54 -3.33 0.00 0.00 175.10 171.60 2kma s LYS 15 N 1.41 1.88 -0.31 1.54 -0.14 0.24 -4.94 119.74 119.42 2kma s LYS 15 Ca -0.05 -1.09 -0.12 0.00 -1.36 0.00 0.00 55.97 53.36 2kma s LYS 15 Cb -0.13 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 2kma s LYS 15 CO -0.03 0.51 0.21 0.99 -0.76 0.00 0.00 175.35 176.28 2kma s THR 16 N -0.94 5.29 0.06 2.17 2.01 -1.26 0.64 115.64 123.61 2kma s THR 16 Ca 0.14 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.15 2kma s THR 16 Cb -0.10 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2kma s THR 16 CO 0.05 0.12 -0.11 -0.04 -0.69 0.00 0.00 174.62 173.95 2kma s MET 17 N 1.74 0.70 0.03 4.92 -1.94 -0.16 -4.98 119.30 119.61 2kma s MET 17 Ca 0.07 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2kma s MET 17 Cb -0.17 -0.56 -0.04 0.00 2.01 0.00 0.00 34.83 36.08 2kma s MET 17 CO 0.11 0.11 -0.07 -0.65 -0.01 0.00 0.00 175.02 174.51 2kma s GLN 18 N -1.84 2.49 0.05 2.03 -0.21 -1.26 0.01 119.66 120.94 2kma s GLN 18 Ca -0.04 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.56 2kma s GLN 18 Cb -0.09 -2.48 -0.03 0.00 1.00 0.00 0.00 33.01 31.41 2kma s GLN 18 CO 0.01 0.58 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.66 2kma s PHE 19 N -1.06 0.56 0.46 0.91 0.08 -0.57 -4.96 117.98 113.40 2kma s PHE 19 Ca 0.19 -0.85 -0.20 0.00 0.12 0.00 0.00 56.93 56.18 2kma s PHE 19 Cb -0.11 -0.38 -0.10 0.00 -0.57 0.00 0.00 43.02 41.86 2kma s PHE 19 CO 0.10 -0.25 0.98 -1.21 -0.10 0.00 0.00 175.22 174.73 2kma s GLU 20 N -3.09 4.06 0.45 0.44 2.02 -1.26 -0.94 118.70 120.39 2kma s GLU 20 Ca 0.01 1.17 0.18 0.00 0.02 0.00 0.00 54.97 56.36 2kma s GLU 20 Cb 0.01 -2.15 1.13 0.00 0.10 0.00 0.00 34.13 33.23 2kma s GLU 20 CO -0.06 -0.18 1.91 -1.00 0.02 0.00 0.00 175.26 175.96 2kma h PRO 21 N 1.69 0.32 -0.42 0.39 0.13 -1.97 -0.56 132.00 131.59 2kma h PRO 21 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kma h PRO 21 Cb 1.19 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kma h PRO 21 CO 0.60 0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.46 2kma n SER 22 N -4.46 3.46 -0.10 1.44 3.41 -1.26 -3.62 113.62 112.49 2kma n SER 22 Ca 0.15 -1.99 -0.05 0.00 -0.26 0.00 0.00 58.87 56.72 2kma n SER 22 Cb 0.60 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 4.41 0.73 -0.91 6.66 2.02 -1.46 -3.49 112.91 120.88 2kma h THR 23 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2kma h THR 23 Cb 0.97 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2kma h THR 23 CO 0.00 0.02 -0.23 0.80 0.37 0.00 0.00 175.52 176.48 2kma n MET 24 N -5.19 -1.04 -0.32 6.66 1.56 -1.26 -3.97 117.12 113.55 2kma n MET 24 Ca 0.01 0.80 0.00 0.00 -0.27 0.00 0.00 57.70 58.25 2kma n MET 24 Cb 0.19 -0.96 0.07 0.00 2.15 0.00 0.00 33.22 34.66 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 0.17 0.07 -0.60 1.12 2.07 -1.80 -0.44 116.25 116.84 2kma h VAL 25 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2kma h VAL 25 Cb 0.15 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 2kma h VAL 25 CO 0.00 0.00 0.40 0.10 0.02 0.00 0.00 177.57 178.09 2kma h TYR 26 N -0.03 0.75 0.08 1.57 -0.00 -1.84 0.14 116.97 117.63 2kma h TYR 26 Ca 0.36 0.02 -0.27 0.00 0.00 0.00 0.00 58.73 58.84 2kma h TYR 26 Cb 0.61 -0.25 0.01 0.00 0.00 0.00 0.00 36.73 37.11 2kma h TYR 26 CO -0.76 0.47 -1.14 -0.44 -0.00 0.00 0.00 178.16 176.29 2kma h ASP 27 N 0.80 0.66 -0.18 0.10 3.32 -1.27 -2.68 116.42 117.17 2kma h ASP 27 Ca 0.22 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.70 2kma h ASP 27 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2kma h ASP 27 CO -0.05 1.42 0.03 0.00 -1.72 0.00 0.00 179.24 178.92 2kma h ALA 28 N 0.51 0.17 -0.97 3.45 0.00 -0.37 -2.47 119.26 119.59 2kma h ALA 28 Ca -0.14 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kma h ALA 28 Cb 1.81 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 2kma h ALA 28 CO 0.20 -0.41 0.63 0.00 0.00 0.00 0.00 179.25 179.67 2kma h ARG 30 N 1.20 0.76 0.12 0.00 0.11 -1.22 -2.58 114.38 112.77 2kma h ARG 30 Ca 0.40 -0.37 -0.25 0.00 0.10 0.00 0.00 59.98 59.86 2kma h ARG 30 Cb 0.05 -0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.15 2kma h ARG 30 CO -0.14 0.99 -1.06 0.52 0.10 0.00 0.00 179.97 180.38 2kma h MET 31 N 0.63 0.51 -0.51 0.08 2.86 -1.13 -3.06 114.93 114.32 2kma h MET 31 Ca 0.06 -0.70 -0.03 0.00 -2.06 0.00 0.00 59.70 56.97 2kma h MET 31 Cb 0.88 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 2kma h MET 31 CO 0.08 1.31 0.20 0.97 1.06 0.00 0.00 176.91 180.53 2kma h ILE 32 N 0.05 1.21 0.00 -1.22 2.10 -1.03 -1.25 117.51 117.37 2kma h ILE 32 Ca -0.17 -0.67 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 2kma h ILE 32 Cb 1.77 0.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2kma h ILE 32 CO 0.20 0.25 -0.06 0.03 -1.08 0.00 0.00 178.15 177.49 2kma h ARG 33 N 0.68 0.00 0.63 2.19 3.08 -1.57 -0.18 114.38 119.20 2kma h ARG 33 Ca 0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2kma h ARG 33 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2kma h ARG 33 CO -0.01 0.06 -0.30 1.49 -1.07 0.00 0.00 179.97 180.14 2kma h GLU 34 N 0.00 -0.81 0.11 0.04 4.57 -1.12 -3.36 114.58 114.01 2kma h GLU 34 Ca -0.00 0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 57.95 2kma h GLU 34 Cb 0.13 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2kma h GLU 34 CO 0.01 -0.54 -1.41 0.07 -1.18 0.00 0.00 179.01 175.96 2kma h ARG 35 N -1.21 0.22 -4.33 1.92 -0.00 -1.50 -3.43 114.38 106.05 2kma h ARG 35 Ca -0.09 -0.38 -0.73 0.00 -0.00 0.00 0.00 59.98 58.78 2kma h ARG 35 Cb 0.64 0.14 -0.23 0.00 -0.00 0.00 0.00 29.97 30.52 2kma h ARG 35 CO 0.14 1.11 -0.35 0.42 -0.00 0.00 0.00 179.97 181.28 2kma s ILE 36 N -2.63 5.06 -1.55 0.08 1.01 -0.08 -4.91 121.20 118.18 2kma s ILE 36 Ca -0.06 -1.12 0.25 0.00 0.00 0.00 0.00 60.65 59.72 2kma s ILE 36 Cb 0.07 -4.03 0.49 0.00 0.01 0.00 0.00 42.46 39.00 2kma s ILE 36 CO 0.86 -0.56 1.83 -0.81 0.00 0.00 0.00 174.94 176.26 2kma n PRO 37 N 5.15 0.44 0.10 2.79 -0.04 -1.26 -2.47 135.00 139.72 2kma n PRO 37 Ca -0.12 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2kma n PRO 37 Cb 0.44 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.77 2kma n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kma n GLU 38 N -1.23 0.27 -0.04 0.54 4.71 -1.26 -3.83 120.64 119.81 2kma n GLU 38 Ca 0.13 0.21 -0.15 0.00 -0.01 0.00 0.00 57.16 57.34 2kma n GLU 38 Cb 0.17 -1.80 -0.08 0.00 -1.01 0.00 0.00 31.44 28.72 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 2.51 0.21 -1.41 0.62 0.00 -1.81 -3.35 119.26 116.02 2kma h ALA 39 Ca 0.00 -0.45 -0.79 0.00 0.00 0.00 0.00 54.91 53.67 2kma h ALA 39 Cb 0.75 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.28 2kma h ALA 39 CO 0.00 0.30 1.33 1.47 0.00 0.00 0.00 179.25 182.35 2kma n LEU 40 N -4.33 6.79 0.00 0.00 -0.00 -1.25 -4.70 117.00 113.51 2kma n LEU 40 Ca -0.07 -5.05 0.09 0.00 -0.00 0.00 0.00 56.01 50.98 2kma n LEU 40 Cb 0.53 -1.32 0.48 0.00 -0.00 0.00 0.00 43.42 43.10 2kma n LEU 40 CO 0.44 1.69 0.79 0.00 -0.00 0.00 0.00 177.39 180.31 2kma n ALA 41 N 1.88 2.02 -2.96 1.47 0.00 -1.26 -4.82 120.51 116.84 2kma n ALA 41 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2kma n ALA 41 Cb 0.32 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.31 3.88 3.63 0.00 0.00 -1.26 -5.10 105.19 106.66 2kma n GLY 42 Ca 0.09 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2kma n GLY 42 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kma s PRO 43 N 2.16 3.58 0.33 1.61 0.02 -1.26 -4.84 135.00 136.60 2kma s PRO 43 Ca 0.00 2.24 0.23 0.00 0.02 0.00 0.00 61.00 63.49 2kma s PRO 43 Cb 0.00 -4.27 1.20 0.00 0.02 0.00 0.00 34.50 31.45 2kma s PRO 43 CO 0.00 -1.59 1.71 -1.00 -0.33 0.00 0.00 177.00 175.79 2kma h PRO 44 N 12.98 0.00 -0.02 5.54 0.13 -1.95 -1.15 132.00 147.52 2kma h PRO 44 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 2kma h PRO 44 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2kma h PRO 44 CO 0.96 0.00 -0.55 -0.91 -0.23 0.00 0.00 178.00 177.26 2kma h ASN 45 N 0.00 0.08 -0.41 1.44 2.35 -2.02 -3.07 115.58 113.95 2kma h ASN 45 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2kma h ASN 45 Cb 0.08 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2kma h ASN 45 CO 0.00 0.62 0.00 0.47 -1.65 0.00 0.00 177.43 176.87 2kma n ASP 46 N -3.89 3.30 -4.43 5.81 9.92 -0.43 -4.86 116.55 121.96 2kma n ASP 46 Ca -0.02 -2.31 -0.33 0.00 -0.53 0.00 0.00 54.79 51.60 2kma n ASP 46 Cb 0.57 -0.48 -0.14 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.77 2.71 0.01 1.24 0.08 -1.16 0.71 117.98 119.80 2kma s PHE 47 Ca 0.33 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.06 2kma s PHE 47 Cb 0.22 -1.68 -0.00 0.00 -0.57 0.00 0.00 43.02 40.98 2kma s PHE 47 CO 0.15 0.05 0.02 0.41 -0.10 0.00 0.00 175.22 175.75 2kma n GLY 48 N 2.67 3.69 3.45 4.36 0.00 -0.30 -4.73 105.19 114.34 2kma n GLY 48 Ca -0.17 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 4.71 -0.23 0.99 1.43 -1.26 -2.78 118.68 121.54 2kma s LEU 49 Ca 0.02 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.25 2kma s LEU 49 Cb 0.00 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2kma s LEU 49 CO 0.01 -0.34 0.14 0.12 0.23 0.00 0.00 176.35 176.51 2kma s PHE 50 N 1.64 3.31 -0.43 0.29 5.36 0.13 0.28 117.98 128.57 2kma s PHE 50 Ca 0.04 0.19 -0.20 0.00 -0.96 0.00 0.00 56.93 56.00 2kma s PHE 50 Cb -0.18 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 2kma s PHE 50 CO 0.09 0.08 0.58 -1.17 -1.46 0.00 0.00 175.22 173.33 2kma s LEU 51 N 0.95 4.58 -0.27 6.12 1.98 0.82 -0.00 118.68 132.84 2kma s LEU 51 Ca 0.07 -0.39 -0.22 0.00 -2.89 0.00 0.00 54.13 50.70 2kma s LEU 51 Cb -0.13 -2.63 -0.01 0.00 0.66 0.00 0.00 46.19 44.08 2kma s LEU 51 CO 0.03 -0.70 0.73 -0.55 -1.89 0.00 0.00 176.35 173.96 2kma s SER 52 N 1.93 6.66 -0.13 3.68 0.15 -1.24 -1.73 113.70 123.01 2kma s SER 52 Ca 0.20 0.74 -0.11 0.00 0.70 0.00 0.00 55.95 57.47 2kma s SER 52 Cb -0.15 -2.38 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 2kma s SER 52 CO 0.17 -0.49 -0.24 -0.67 1.20 0.00 0.00 173.24 173.21 2kma n ASP 53 N 5.95 1.55 0.00 5.45 -0.08 -1.26 -4.71 116.55 123.44 2kma n ASP 53 Ca 0.02 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2kma n ASP 53 Cb 0.48 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.35 2kma n ASP 53 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kma n ASP 54 N -4.04 0.00 -4.72 1.67 2.03 -1.26 -4.99 116.55 105.23 2kma n ASP 54 Ca -0.21 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.79 2kma n ASP 54 Cb 0.53 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 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 5.26 0.61 1.67 -1.08 -1.26 -4.94 116.67 116.93 2kma s ASP 55 Ca 0.00 -0.06 0.27 0.00 -0.52 0.00 0.00 52.55 52.24 2kma s ASP 55 Cb 0.00 -1.36 1.38 0.00 -1.46 0.00 0.00 42.92 41.48 2kma s ASP 55 CO 0.00 0.21 1.79 1.55 0.52 0.00 0.00 175.17 179.24 2kma h PRO 56 N 3.66 0.00 0.02 4.34 0.13 -1.91 0.35 132.00 138.59 2kma h PRO 56 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 2kma h PRO 56 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2kma h PRO 56 CO 0.61 0.00 -1.67 0.87 -0.23 0.00 0.00 178.00 177.58 2kma h LYS 57 N 0.00 0.05 -0.11 0.86 1.79 -1.88 -3.36 116.57 113.92 2kma h LYS 57 Ca 0.18 -0.08 -0.18 0.00 -2.18 0.00 0.00 60.65 58.39 2kma h LYS 57 Cb 1.28 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.95 2kma h LYS 57 CO -0.00 0.65 -0.69 0.87 -1.08 0.00 0.00 179.45 179.21 2kma h LYS 58 N 0.01 0.48 -6.92 3.15 1.57 -0.96 -3.44 116.57 110.47 2kma h LYS 58 Ca -0.28 -0.37 -0.52 0.00 -1.87 0.00 0.00 60.65 57.61 2kma h LYS 58 Cb 2.00 0.07 0.07 0.00 0.08 0.00 0.00 32.23 34.45 2kma h LYS 58 CO 0.09 0.99 0.61 0.20 -0.57 0.00 0.00 179.45 180.78 2kma s GLY 59 N -4.24 2.95 0.06 3.86 0.00 0.90 -4.60 107.32 106.26 2kma s GLY 59 Ca -0.07 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.84 2kma s GLY 59 CO 0.85 1.83 0.06 -0.26 0.00 0.00 0.00 173.10 175.57 2kma s ILE 60 N -1.22 0.19 -0.07 0.90 -4.36 -0.71 -4.92 121.20 111.01 2kma s ILE 60 Ca 0.53 -1.54 -0.17 0.00 -0.26 0.00 0.00 60.65 59.22 2kma s ILE 60 Cb -0.38 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 41.86 2kma s ILE 60 CO 0.50 -0.85 0.45 0.26 0.24 0.00 0.00 174.94 175.53 2kma s TRP 61 N -3.82 3.60 -0.48 1.37 0.52 -1.26 -0.13 118.94 118.74 2kma s TRP 61 Ca 0.06 0.93 -0.18 0.00 0.02 0.00 0.00 56.10 56.92 2kma s TRP 61 Cb 0.06 -2.45 0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2kma s TRP 61 CO -0.10 0.36 0.52 -0.51 0.02 0.00 0.00 176.95 177.24 2kma s LEU 62 N -0.06 5.11 0.49 2.99 1.43 0.14 -4.93 118.68 123.86 2kma s LEU 62 Ca 0.25 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.32 2kma s LEU 62 Cb -0.16 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2kma s LEU 62 CO 0.11 -0.76 0.82 -1.83 0.23 0.00 0.00 176.35 174.93 2kma s GLU 63 N 2.26 3.59 0.00 1.70 -1.05 -1.26 -4.13 118.70 119.81 2kma s GLU 63 Ca 0.12 0.33 0.14 0.00 -0.15 0.00 0.00 54.97 55.41 2kma s GLU 63 Cb -0.20 -2.33 0.85 0.00 -0.44 0.00 0.00 34.13 32.01 2kma s GLU 63 CO 0.11 -0.24 1.33 0.00 0.95 0.00 0.00 175.26 177.41 2kma n ALA 64 N -2.19 2.26 0.36 -0.84 0.00 -1.26 -2.79 120.51 116.05 2kma n ALA 64 Ca 0.02 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2kma n ALA 64 Cb 0.55 -1.23 0.22 0.00 0.00 0.00 0.00 19.45 18.99 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 0.30 1.42 3.47 0.00 0.00 -1.26 -4.72 105.19 104.40 2kma n GLY 65 Ca 0.11 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.40 1.31 0.67 1.61 0.00 -1.12 -5.15 119.74 115.67 2kma s LYS 66 Ca 0.34 -0.77 -0.04 0.00 0.00 0.00 0.00 55.97 55.50 2kma s LYS 66 Cb 0.18 0.53 0.07 0.00 0.00 0.00 0.00 37.83 38.60 2kma s LYS 66 CO 0.22 -0.55 0.94 0.00 0.00 0.00 0.00 175.35 175.96 2kma s ALA 67 N -3.84 3.45 -0.01 0.59 0.00 -1.26 -3.67 121.76 117.01 2kma s ALA 67 Ca 0.06 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 2kma s ALA 67 Cb -0.01 -2.35 -0.19 0.00 0.00 0.00 0.00 23.12 20.57 2kma s ALA 67 CO -0.06 -1.18 1.23 -0.07 0.00 0.00 0.00 175.76 175.68 2kma h LEU 68 N -0.41 0.15 0.00 0.00 3.38 -1.89 -3.18 115.31 113.36 2kma h LEU 68 Ca -0.42 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.00 2kma h LEU 68 Cb 1.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.54 0.67 0.00 -0.90 0.09 0.00 0.00 178.44 178.84 2kma n ASP 69 N -4.70 0.00 -0.20 -0.43 5.75 -1.24 -2.27 116.55 113.46 2kma n ASP 69 Ca -0.08 0.22 -0.02 0.00 -0.01 0.00 0.00 54.79 54.89 2kma n ASP 69 Cb 0.33 -0.38 0.08 0.00 -1.03 0.00 0.00 41.12 40.12 2kma n ASP 69 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2kma h TYR 70 N 0.00 0.53 -0.79 2.11 3.20 -1.84 -3.43 116.97 116.76 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 0.24 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2kma h TYR 70 CO 0.00 0.24 0.00 0.66 -1.64 0.00 0.00 178.16 177.42 2kma n TYR 71 N -4.87 0.00 -0.82 -3.82 4.01 -0.96 -4.94 117.16 105.76 2kma n TYR 71 Ca 0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 2kma n TYR 71 Cb 0.18 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.29 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 2.03 -3.32 -0.72 2.81 -1.26 -4.94 117.12 111.71 2kma n MET 72 Ca 0.00 -2.18 -0.37 0.00 -1.81 0.00 0.00 57.70 53.34 2kma n MET 72 Cb 0.00 -1.85 -0.06 0.00 -0.71 0.00 0.00 33.22 30.60 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 -2.47 4.43 0.00 4.03 1.43 -1.26 -5.03 118.68 119.80 2kma s LEU 73 Ca 0.42 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 2kma s LEU 73 Cb 0.34 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.55 2kma s LEU 73 CO 0.03 0.19 0.85 -2.11 0.23 0.00 0.00 176.35 175.54 2kma n ARG 74 N 1.26 0.85 -1.66 1.70 -4.01 -1.26 -4.69 116.66 108.85 2kma n ARG 74 Ca -0.08 -1.76 -0.43 0.00 -1.04 0.00 0.00 57.85 54.55 2kma n ARG 74 Cb 0.51 2.26 -0.03 0.00 -3.04 0.00 0.00 32.46 32.17 2kma n ARG 74 CO 0.00 0.00 0.00 -0.80 -3.04 0.00 0.00 177.63 173.79 2kma s ASN 75 N -3.11 5.70 0.00 2.89 0.01 -1.26 -1.53 114.94 117.64 2kma s ASN 75 Ca 0.18 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.34 2kma s ASN 75 Cb -0.04 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2kma s ASN 75 CO 0.08 -1.75 0.00 0.61 -1.51 0.00 0.00 177.10 174.54 2kma n GLY 76 N 5.46 1.06 3.81 0.66 0.00 0.09 -4.91 105.19 111.37 2kma n GLY 76 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2kma n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kma s ASP 77 N -1.91 6.81 -0.18 1.61 -1.08 -0.59 -4.81 116.67 116.53 2kma s ASP 77 Ca 0.00 1.75 -0.09 0.00 -0.52 0.00 0.00 52.55 53.69 2kma s ASP 77 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 2kma s ASP 77 CO 0.00 -0.45 0.11 -0.89 0.52 0.00 0.00 175.17 174.47 2kma s THR 78 N -2.12 5.28 -0.21 1.71 2.01 -1.26 -1.64 115.64 119.41 2kma s THR 78 Ca 0.63 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.77 2kma s THR 78 Cb -0.11 -3.38 0.05 0.00 0.01 0.00 0.00 72.50 69.07 2kma s THR 78 CO 0.15 0.47 -0.07 -0.32 -0.69 0.00 0.00 174.62 174.16 2kma s MET 79 N 0.14 1.75 -0.07 4.92 1.75 0.22 -3.70 119.30 124.32 2kma s MET 79 Ca 0.08 -0.83 -0.29 0.00 -1.25 0.00 0.00 55.69 53.40 2kma s MET 79 Cb -0.11 -2.40 -0.02 0.00 2.84 0.00 0.00 34.83 35.14 2kma s MET 79 CO -0.01 -0.49 0.98 -2.00 -0.65 0.00 0.00 175.02 172.85 2kma s GLU 80 N 1.45 4.46 -0.52 4.11 -6.30 1.00 -2.47 118.70 120.42 2kma s GLU 80 Ca -0.03 1.37 -0.17 0.00 -2.50 0.00 0.00 54.97 53.64 2kma s GLU 80 Cb -0.17 -3.51 0.10 0.00 0.00 0.00 0.00 34.13 30.55 2kma s GLU 80 CO -0.07 -0.21 0.51 -0.47 0.02 0.00 0.00 175.26 175.03 2kma s TYR 81 N 1.64 3.19 0.31 5.30 5.04 0.36 -0.70 117.35 132.49 2kma s TYR 81 Ca 0.49 -1.03 0.04 0.00 -2.44 0.00 0.00 57.07 54.12 2kma s TYR 81 Cb -0.19 -3.59 -0.06 0.00 0.35 0.00 0.00 41.96 38.47 2kma s TYR 81 CO 0.21 -0.99 0.04 -0.98 -1.34 0.00 0.00 175.55 172.49 2kma s ARG 82 N 1.90 1.60 0.21 4.97 1.70 -1.12 -4.42 118.95 123.78 2kma s ARG 82 Ca 0.06 -1.87 -0.31 0.00 -0.47 0.00 0.00 55.73 53.14 2kma s ARG 82 Cb -0.26 -0.86 -0.10 0.00 -0.57 0.00 0.00 34.95 33.16 2kma s ARG 82 CO 0.06 -0.15 1.50 0.21 -1.08 0.00 0.00 175.30 175.84 2kma s LYS 83 N -3.87 4.24 0.64 3.89 2.20 -1.26 -1.15 119.74 124.42 2kma s LYS 83 Ca 0.35 2.34 0.35 0.00 -0.36 0.00 0.00 55.97 58.65 2kma s LYS 83 Cb 0.08 -3.13 1.96 0.00 -1.51 0.00 0.00 37.83 35.22 2kma s LYS 83 CO 0.14 -0.52 2.17 0.87 -0.36 0.00 0.00 175.35 177.66 2kma h LYS 84 N 5.86 0.00 0.00 4.03 1.79 -0.01 -3.42 116.57 124.83 2kma h LYS 84 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2kma h LYS 84 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2kma h LYS 84 CO 0.84 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 180.25 2kma n GLN 85 N -3.31 2.24 -3.65 3.15 6.02 -1.26 0.17 117.38 120.74 2kma n GLN 85 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 2kma n GLN 85 Cb 0.23 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.42 2kma n GLN 85 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2kma s ARG 86 N 1.21 0.10 -0.21 -1.09 1.04 -0.61 -4.39 118.95 115.00 2kma s ARG 86 Ca 0.00 0.11 -0.29 0.00 -1.04 0.00 0.00 55.73 54.51 2kma s ARG 86 Cb 0.00 0.05 -0.04 0.00 -2.04 0.00 0.00 34.95 32.92 2kma s ARG 86 CO 0.00 -0.02 1.92 -2.14 -0.04 0.00 0.00 175.30 175.03 2kma s PRO 87 N -0.09 3.49 -0.36 3.89 0.02 -1.26 -2.62 135.00 138.08 2kma s PRO 87 Ca 0.07 1.87 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 2kma s PRO 87 Cb -0.04 -4.21 -0.01 0.00 0.02 0.00 0.00 34.50 30.25 2kma s PRO 87 CO -0.14 -1.67 0.30 -0.51 -0.33 0.00 0.00 177.00 174.65 2kma s LEU 88 N 6.61 4.60 -0.62 -5.54 1.43 -0.42 -4.67 118.68 120.08 2kma s LEU 88 Ca 0.86 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 53.27 2kma s LEU 88 Cb -0.30 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.75 2kma s LEU 88 CO 0.34 -0.32 1.05 -0.54 0.23 0.00 0.00 176.35 177.11 2kma s LYS 89 N 1.84 3.28 -0.07 1.70 -0.14 -1.26 -2.37 119.74 122.72 2kma s LYS 89 Ca 0.08 -0.31 0.05 0.00 -1.36 0.00 0.00 55.97 54.43 2kma s LYS 89 Cb -0.17 -4.11 -0.00 0.00 -1.68 0.00 0.00 37.83 31.86 2kma s LYS 89 CO 0.11 -1.72 -0.24 0.42 -0.76 0.00 0.00 175.35 173.17 2kma s ILE 90 N 4.46 1.98 -0.20 2.17 -1.09 0.24 0.85 121.20 129.60 2kma s ILE 90 Ca 0.31 -1.00 -0.05 0.00 -2.23 0.00 0.00 60.65 57.68 2kma s ILE 90 Cb -0.12 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 2kma s ILE 90 CO 0.17 0.55 0.00 -0.60 -1.23 0.00 0.00 174.94 173.83 2kma s ARG 91 N 0.08 3.61 0.81 2.79 3.52 -0.39 -0.53 118.95 128.84 2kma s ARG 91 Ca -0.10 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 54.87 2kma s ARG 91 Cb -0.15 -3.09 0.11 0.00 -1.56 0.00 0.00 34.95 30.26 2kma s ARG 91 CO 0.06 -0.01 1.15 -1.64 -0.81 0.00 0.00 175.30 174.05 2kma s MET 92 N 1.06 1.61 0.30 5.12 -1.94 0.25 -1.12 119.30 124.59 2kma s MET 92 Ca 0.02 -0.28 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 2kma s MET 92 Cb -0.14 -2.02 0.61 0.00 2.01 0.00 0.00 34.83 35.28 2kma s MET 92 CO 0.02 -1.72 1.85 -0.07 -0.01 0.00 0.00 175.02 175.09 2kma h LEU 93 N -1.04 0.87 -0.12 -0.03 -0.00 -1.88 0.39 115.31 113.51 2kma h LEU 93 Ca -0.44 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2kma h LEU 93 Cb 1.29 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 2kma h LEU 93 CO 0.53 0.47 -0.11 -0.90 -0.00 0.00 0.00 178.44 178.43 2kma n ASP 94 N -4.59 0.29 0.00 -0.43 5.75 -1.26 -4.87 116.55 111.44 2kma n ASP 94 Ca 0.18 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2kma n ASP 94 Cb 0.36 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 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 1.34 1.06 3.69 6.12 0.00 0.14 -5.07 105.19 112.47 2kma n GLY 95 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 4.56 -0.16 2.61 2.01 -1.23 -4.67 115.64 116.75 2kma s THR 96 Ca 0.00 1.85 -0.08 0.00 0.31 0.00 0.00 61.69 63.76 2kma s THR 96 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2kma s THR 96 CO 0.00 -0.01 0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 2kma s VAL 97 N 2.15 5.36 0.07 3.82 1.01 -1.26 0.87 120.40 132.43 2kma s VAL 97 Ca 0.51 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2kma s VAL 97 Cb -0.21 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2kma s VAL 97 CO 0.19 0.51 -0.02 -1.59 0.00 0.00 0.00 175.10 174.20 2kma s LYS 98 N -0.20 0.71 -0.14 2.72 -2.85 0.31 -4.98 119.74 115.31 2kma s LYS 98 Ca 0.10 -1.28 0.02 0.00 -1.00 0.00 0.00 55.97 53.81 2kma s LYS 98 Cb -0.11 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.82 2kma s LYS 98 CO 0.01 -0.13 -0.20 0.99 0.10 0.00 0.00 175.35 176.12 2kma s THR 99 N -3.90 1.90 0.03 3.79 2.01 -1.25 -0.59 115.64 117.62 2kma s THR 99 Ca 0.11 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.26 2kma s THR 99 Cb 0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2kma s THR 99 CO -0.07 0.52 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.80 2kma s ILE 100 N 0.99 0.50 -0.36 1.82 -1.16 -1.00 -4.90 121.20 117.09 2kma s ILE 100 Ca -0.04 -0.83 -0.19 0.00 -0.51 0.00 0.00 60.65 59.08 2kma s ILE 100 Cb -0.15 -0.53 0.00 0.00 0.61 0.00 0.00 42.46 42.39 2kma s ILE 100 CO -0.04 -0.24 0.53 -0.04 -2.81 0.00 0.00 174.94 172.34 2kma s MET 101 N -1.16 3.57 -0.00 3.50 -1.94 -1.26 -1.29 119.30 120.71 2kma s MET 101 Ca -0.07 -0.19 0.07 0.00 -1.71 0.00 0.00 55.69 53.80 2kma s MET 101 Cb -0.08 -3.83 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 2kma s MET 101 CO 0.00 -0.70 -0.23 0.08 -0.01 0.00 0.00 175.02 174.16 2kma s VAL 102 N 2.45 2.32 0.22 -6.03 1.01 -1.08 -4.77 120.40 114.54 2kma s VAL 102 Ca 0.19 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2kma s VAL 102 Cb -0.15 -1.87 -0.15 0.00 0.00 0.00 0.00 36.38 34.21 2kma s VAL 102 CO 0.14 0.51 0.96 -0.67 0.00 0.00 0.00 175.10 176.03 2kma n ASP 103 N 2.17 0.73 -0.04 3.32 -0.08 -1.26 -1.58 116.55 119.81 2kma n ASP 103 Ca -0.16 1.16 -0.05 0.00 -1.51 0.00 0.00 54.79 54.22 2kma n ASP 103 Cb 0.52 -1.18 -0.14 0.00 2.34 0.00 0.00 41.12 42.66 2kma n ASP 103 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kma n ASP 104 N 1.64 0.47 -1.69 1.67 2.03 0.13 -4.41 116.55 116.39 2kma n ASP 104 Ca 0.13 0.22 -0.05 0.00 0.52 0.00 0.00 54.79 55.61 2kma n ASP 104 Cb 0.27 0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 41.18 2kma n ASP 104 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kma n SER 105 N -2.83 5.35 -1.48 1.67 3.41 -1.25 -4.25 113.62 114.24 2kma n SER 105 Ca -0.20 -2.46 -0.04 0.00 -0.26 0.00 0.00 58.87 55.91 2kma n SER 105 Cb 1.00 -1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 2kma n SER 105 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2kma n LYS 106 N 1.79 0.15 -2.90 4.33 -0.00 -1.26 -5.05 118.16 115.22 2kma n LYS 106 Ca 0.16 -0.69 -0.21 0.00 -0.00 0.00 0.00 58.31 57.57 2kma n LYS 106 Cb 0.64 0.64 0.08 0.00 -0.00 0.00 0.00 35.03 36.39 2kma n LYS 106 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2kma s THR 107 N -2.48 2.14 0.02 0.58 -4.23 -1.26 -3.17 115.64 107.24 2kma s THR 107 Ca 0.07 -0.88 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2kma s THR 107 Cb -0.00 -2.26 -0.16 0.00 1.34 0.00 0.00 72.50 71.42 2kma s THR 107 CO 0.05 0.00 1.28 0.58 -0.54 0.00 0.00 174.62 175.99 2kma h VAL 108 N -0.04 0.47 -0.78 2.29 2.07 -1.87 -2.94 116.25 115.46 2kma h VAL 108 Ca -0.32 -0.41 0.18 0.00 0.82 0.00 0.00 66.70 66.98 2kma h VAL 108 Cb 1.28 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 31.55 2kma h VAL 108 CO 0.40 0.06 0.03 0.74 0.02 0.00 0.00 177.57 178.83 2kma h THR 109 N -0.88 0.33 -0.31 2.57 2.02 -1.93 0.32 112.91 115.02 2kma h THR 109 Ca -0.06 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 2kma h THR 109 Cb 0.57 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2kma h THR 109 CO 0.10 0.02 -0.21 -0.78 0.37 0.00 0.00 175.52 175.03 2kma h ASP 110 N 0.11 0.59 -0.28 4.18 1.82 -1.96 -0.94 116.42 119.94 2kma h ASP 110 Ca 0.43 -0.19 -0.10 0.00 -0.39 0.00 0.00 57.03 56.78 2kma h ASP 110 Cb 0.78 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 2kma h ASP 110 CO -0.67 0.80 -0.22 -0.03 -1.61 0.00 0.00 179.24 177.50 2kma h MET 111 N 0.52 0.65 -0.54 0.28 4.05 -0.76 -2.30 114.93 116.82 2kma h MET 111 Ca 0.08 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 59.16 2kma h MET 111 Cb 0.65 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 2kma h MET 111 CO 0.05 0.92 0.27 1.25 0.23 0.00 0.00 176.91 179.62 2kma h LEU 112 N 0.38 0.68 -0.12 3.39 5.85 -0.19 0.04 115.31 125.34 2kma h LEU 112 Ca 0.05 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.75 2kma h LEU 112 Cb 0.77 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2kma h LEU 112 CO 0.06 0.57 -0.09 -0.03 -0.34 0.00 0.00 178.44 178.61 2kma h MET 113 N 0.76 -0.09 -0.62 1.25 4.05 -0.92 0.18 114.93 119.54 2kma h MET 113 Ca 0.19 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 2kma h MET 113 Cb 0.07 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 2kma h MET 113 CO -0.03 -0.06 0.13 1.15 0.23 0.00 0.00 176.91 178.33 2kma h THR 114 N -0.10 1.25 -0.01 -0.77 2.02 -0.77 -2.05 112.91 112.49 2kma h THR 114 Ca 0.08 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 2kma h THR 114 Cb 0.21 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2kma h THR 114 CO -0.18 0.35 -0.06 0.40 0.37 0.00 0.00 175.52 176.40 2kma h ILE 115 N 0.94 1.55 0.00 3.11 2.04 -0.67 -3.07 117.51 121.42 2kma h ILE 115 Ca 0.20 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.31 2kma h ILE 115 Cb 0.37 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2kma h ILE 115 CO 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 178.15 178.45 2kma h ALA 117 N 1.84 1.38 -0.29 0.00 0.00 -1.37 0.27 119.26 121.08 2kma h ALA 117 Ca -0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2kma h ALA 117 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kma h ALA 117 CO 0.02 0.40 -0.36 0.00 0.00 0.00 0.00 179.25 179.31 2kma h ARG 118 N 0.00 0.66 -0.02 0.00 2.47 -0.97 -2.94 114.38 113.58 2kma h ARG 118 Ca -0.00 -0.32 -0.18 0.00 -1.26 0.00 0.00 59.98 58.22 2kma h ARG 118 Cb 0.60 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 2kma h ARG 118 CO 0.04 0.92 -0.79 0.82 0.56 0.00 0.00 179.97 181.52 2kma h ILE 119 N 0.55 1.46 0.00 2.04 1.08 -1.33 -3.47 117.51 117.85 2kma h ILE 119 Ca 0.06 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 2kma h ILE 119 Cb 0.87 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.94 2kma h ILE 119 CO 0.08 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 178.85 2kma n GLY 120 N 0.69 1.52 3.70 5.37 0.00 -0.57 -5.10 105.19 110.80 2kma n GLY 120 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 5.11 -0.14 -0.61 1.01 -0.02 -4.99 121.20 119.56 2kma s ILE 121 Ca 0.00 1.16 -0.14 0.00 0.00 0.00 0.00 60.65 61.67 2kma s ILE 121 Cb 0.00 -3.91 -0.11 0.00 0.01 0.00 0.00 42.46 38.44 2kma s ILE 121 CO 0.00 0.25 0.19 0.74 0.00 0.00 0.00 174.94 176.12 2kma h THR 122 N 4.85 0.64 -2.61 2.92 2.02 -1.97 -3.36 112.91 115.39 2kma h THR 122 Ca -0.39 -1.59 -0.60 0.00 0.77 0.00 0.00 66.41 64.61 2kma h THR 122 Cb 1.18 1.32 -0.12 0.00 -1.74 0.00 0.00 68.15 68.78 2kma h THR 122 CO 0.76 0.22 0.72 0.54 0.37 0.00 0.00 175.52 178.12 2kma s ASN 123 N -6.05 6.19 0.00 4.18 4.22 -1.26 -4.83 114.94 117.38 2kma s ASN 123 Ca -0.15 -0.75 0.18 0.00 -2.14 0.00 0.00 52.86 50.00 2kma s ASN 123 Cb 0.01 -2.47 -0.03 0.00 1.28 0.00 0.00 41.25 40.04 2kma s ASN 123 CO 0.35 -1.56 0.89 0.00 -2.04 0.00 0.00 177.10 174.75 2kma n HIS 124 N 8.25 0.00 1.26 1.54 1.44 -1.26 -4.15 115.22 122.30 2kma n HIS 124 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 2kma n HIS 124 Cb 0.47 0.00 0.53 0.00 0.12 0.00 0.00 29.99 31.11 2kma n HIS 124 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kma n ASP 125 N -0.28 0.44 0.00 4.39 8.00 -1.26 -3.19 116.55 124.66 2kma n ASP 125 Ca 0.07 -0.38 0.11 0.00 0.71 0.00 0.00 54.79 55.30 2kma n ASP 125 Cb 0.36 -0.07 0.62 0.00 -0.02 0.00 0.00 41.12 42.01 2kma n ASP 125 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kma n GLU 126 N -1.11 0.58 -4.40 -1.24 -0.58 -1.26 -4.77 120.64 107.86 2kma n GLU 126 Ca 0.12 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.62 2kma n GLU 126 Cb 0.30 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kma s TYR 127 N -2.15 2.21 0.49 -0.32 2.02 -1.19 -0.64 117.35 117.76 2kma s TYR 127 Ca 0.29 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2kma s TYR 127 Cb 0.15 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 2kma s TYR 127 CO 0.27 0.44 0.18 -1.13 -1.57 0.00 0.00 175.55 173.74 2kma n SER 128 N 0.40 2.97 -4.21 2.29 3.41 0.30 -4.73 113.62 114.06 2kma n SER 128 Ca -0.14 -2.91 -0.22 0.00 -0.26 0.00 0.00 58.87 55.35 2kma n SER 128 Cb 0.56 0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.53 2kma n SER 128 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kma s LEU 129 N 0.00 2.24 -0.05 1.04 0.20 -1.24 -2.09 118.68 118.78 2kma s LEU 129 Ca 0.14 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.36 2kma s LEU 129 Cb -0.01 -0.73 0.03 0.00 -0.43 0.00 0.00 46.19 45.05 2kma s LEU 129 CO 0.09 0.03 0.08 0.54 -0.29 0.00 0.00 176.35 176.80 2kma s VAL 130 N -1.05 -0.12 -0.45 1.68 0.11 -0.79 0.82 120.40 120.59 2kma s VAL 130 Ca 0.03 0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 2kma s VAL 130 Cb -0.09 -0.17 0.10 0.00 -1.53 0.00 0.00 36.38 34.68 2kma s VAL 130 CO 0.03 0.14 0.32 -0.13 -3.33 0.00 0.00 175.10 172.13 2kma s ARG 131 N 1.82 2.63 -0.61 1.54 0.52 0.13 0.29 118.95 125.27 2kma s ARG 131 Ca -0.00 -1.57 -0.28 0.00 -0.52 0.00 0.00 55.73 53.36 2kma s ARG 131 Cb -0.12 -3.91 0.03 0.00 0.52 0.00 0.00 34.95 31.47 2kma s ARG 131 CO -0.04 -1.07 1.23 -1.21 0.02 0.00 0.00 175.30 174.23 2kma s GLU 132 N 1.44 3.42 0.57 3.54 2.02 -0.80 -3.37 118.70 125.52 2kma s GLU 132 Ca 0.04 0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.28 2kma s GLU 132 Cb -0.25 -4.06 0.08 0.00 0.10 0.00 0.00 34.13 30.00 2kma s GLU 132 CO 0.02 -1.81 0.70 -0.51 0.02 0.00 0.00 175.26 173.68 2kma s LEU 133 N 5.23 3.01 0.00 1.80 1.43 -1.19 -3.41 118.68 125.55 2kma s LEU 133 Ca 0.42 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2kma s LEU 133 Cb -0.08 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2kma s LEU 133 CO 0.23 -1.29 0.58 1.15 0.23 0.00 0.00 176.35 177.25 2kma n MET 134 N -2.14 0.46 -1.65 1.70 0.00 -1.26 -4.67 117.12 109.56 2kma n MET 134 Ca 0.12 -0.73 -0.48 0.00 0.00 0.00 0.00 57.70 56.61 2kma n MET 134 Cb 0.62 -0.88 -0.05 0.00 0.00 0.00 0.00 33.22 32.92 2kma n MET 134 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2kma n GLU 135 N -0.15 1.90 0.29 3.17 1.02 -1.26 -4.84 120.64 120.78 2kma n GLU 135 Ca 0.00 0.69 0.16 0.00 -0.02 0.00 0.00 57.16 57.99 2kma n GLU 135 Cb 0.16 -2.43 0.90 0.00 -0.02 0.00 0.00 31.44 30.05 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 5.82 0.00 0.02 3.49 4.11 -2.00 -1.88 114.58 124.15 2kma h GLU 136 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 2kma h GLU 136 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kma h GLU 136 CO 0.87 0.04 -0.01 0.87 0.07 0.00 0.00 179.01 180.85 2kma h LYS 137 N 0.00 -0.03 0.00 1.06 1.57 -2.01 -3.44 116.57 113.71 2kma h LYS 137 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kma h LYS 137 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kma h LYS 137 CO 0.01 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.61 2kma n LYS 138 N -4.78 0.00 -3.28 3.15 4.01 -1.21 -5.04 118.16 111.01 2kma n LYS 138 Ca -0.02 0.11 -0.10 0.00 -0.51 0.00 0.00 58.31 57.79 2kma n LYS 138 Cb 0.07 -0.51 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 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 -2.06 -6.84 -4.26 4.39 -0.08 -0.71 -4.98 116.55 102.02 2kma n ASP 169 Ca 0.00 -0.29 -0.20 0.00 -1.51 0.00 0.00 54.79 52.79 2kma n ASP 169 Cb 0.00 -4.08 -0.10 0.00 2.34 0.00 0.00 41.12 39.28 2kma n ASP 169 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2kma s GLU 170 N -3.52 1.59 0.42 -0.67 2.02 -1.26 -4.99 118.70 112.29 2kma s GLU 170 Ca 0.04 -1.90 0.22 0.00 0.02 0.00 0.00 54.97 53.35 2kma s GLU 170 Cb -0.01 -0.45 0.87 0.00 0.10 0.00 0.00 34.13 34.64 2kma s GLU 170 CO 0.80 -0.32 1.81 -0.07 0.02 0.00 0.00 175.26 177.50 2kma h LEU 171 N 2.18 0.00 -3.34 1.80 3.38 -1.96 -3.16 115.31 114.22 2kma h LEU 171 Ca -0.38 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.25 2kma h LEU 171 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2kma h LEU 171 CO 0.61 0.27 -0.78 0.59 0.09 0.00 0.00 178.44 179.23 2kma n ASN 172 N -3.48 -5.73 -4.53 -0.43 3.02 -1.22 0.03 115.26 102.93 2kma n ASN 172 Ca -0.00 -0.69 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 2kma n ASN 172 Cb 0.44 -2.75 -0.03 0.00 -0.61 0.00 0.00 39.78 36.83 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 -2.97 2.39 0.15 3.10 0.52 -1.26 0.20 118.94 121.07 2kma s TRP 173 Ca 0.01 -0.21 -0.31 0.00 0.02 0.00 0.00 56.10 55.60 2kma s TRP 173 Cb -0.00 -4.55 -0.11 0.00 -1.15 0.00 0.00 33.47 27.66 2kma s TRP 173 CO 0.85 -1.97 1.81 -0.51 0.02 0.00 0.00 176.95 177.16 2kma s LEU 174 N 5.28 4.39 0.07 2.99 1.43 0.24 -4.87 118.68 128.21 2kma s LEU 174 Ca 0.32 2.81 0.26 0.00 -1.03 0.00 0.00 54.13 56.49 2kma s LEU 174 Cb -0.10 -3.58 0.73 0.00 0.03 0.00 0.00 46.19 43.28 2kma s LEU 174 CO 0.13 -1.01 1.60 -0.90 0.23 0.00 0.00 176.35 176.41 2kma n ASP 175 N 5.21 0.46 -0.28 2.29 5.75 -1.26 -3.59 116.55 125.13 2kma n ASP 175 Ca 0.17 0.20 -0.02 0.00 -0.01 0.00 0.00 54.79 55.14 2kma n ASP 175 Cb 0.37 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2kma n ASP 175 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2kma n HIS 176 N -1.78 -0.10 0.00 2.11 8.25 -1.26 -4.89 115.22 117.54 2kma n HIS 176 Ca 0.05 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2kma n HIS 176 Cb 0.38 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 30.24 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 -0.94 -0.00 3.75 -1.41 0.00 -1.26 -4.54 105.19 100.79 2kma n GLY 177 Ca -0.02 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.31 4.83 1.03 1.61 3.52 -1.26 -4.79 118.95 122.58 2kma s ARG 178 Ca 0.00 1.48 -0.16 0.00 -0.13 0.00 0.00 55.73 56.92 2kma s ARG 178 Cb 0.00 -3.23 0.21 0.00 -1.56 0.00 0.00 34.95 30.37 2kma s ARG 178 CO 0.00 0.49 1.19 -0.08 -0.81 0.00 0.00 175.30 176.09 2kma s THR 179 N -1.22 1.86 -0.10 4.11 -1.32 -1.26 -3.79 115.64 113.91 2kma s THR 179 Ca 0.42 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 2kma s THR 179 Cb -0.25 -2.74 -0.25 0.00 -1.51 0.00 0.00 72.50 67.75 2kma s THR 179 CO 0.31 0.00 0.42 0.18 -2.21 0.00 0.00 174.62 173.33 2kma n LEU 180 N -4.12 1.93 0.18 9.08 4.77 -1.19 -3.52 117.00 124.13 2kma n LEU 180 Ca 0.12 0.25 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 2kma n LEU 180 Cb 0.59 -0.59 0.44 0.00 -2.33 0.00 0.00 43.42 41.54 2kma n LEU 180 CO 0.49 0.68 0.89 -0.09 -1.33 0.00 0.00 177.39 178.03 2kma h ARG 181 N 0.04 0.00 0.00 3.23 9.65 -1.87 0.35 114.38 125.78 2kma h ARG 181 Ca -0.39 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.47 2kma h ARG 181 Cb 2.03 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.61 2kma h ARG 181 CO 0.07 0.00 -0.52 1.49 2.80 0.00 0.00 179.97 183.81 2kma h GLU 182 N 0.00 0.00 0.00 0.20 4.57 -1.89 -3.07 114.58 114.40 2kma h GLU 182 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kma h GLU 182 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2kma h GLU 182 CO 0.00 0.07 -0.77 1.96 -1.18 0.00 0.00 179.01 179.09 2kma h GLN 183 N 0.00 0.00 -3.60 1.92 4.20 -1.35 -3.48 115.11 112.80 2kma h GLN 183 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 2kma h GLN 183 Cb 1.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.89 2kma h GLN 183 CO 0.01 0.00 -0.52 0.41 -0.67 0.00 0.00 178.83 178.06 2kma n GLY 184 N 1.23 -0.40 3.73 3.46 0.00 0.02 -4.95 105.19 108.28 2kma n GLY 184 Ca 0.02 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2kma n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kma s VAL 185 N -3.06 3.98 0.91 1.61 -7.23 -1.19 -4.82 120.40 110.61 2kma s VAL 185 Ca 0.19 1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 61.89 2kma s VAL 185 Cb -0.08 -4.07 0.15 0.00 0.56 0.00 0.00 36.38 32.94 2kma s VAL 185 CO 0.23 0.27 1.24 -1.61 -0.31 0.00 0.00 175.10 174.92 2kma s GLU 186 N -0.18 1.09 0.00 4.82 0.41 -1.26 -4.94 118.70 118.63 2kma s GLU 186 Ca 0.50 -0.12 0.24 0.00 -0.41 0.00 0.00 54.97 55.17 2kma s GLU 186 Cb -0.28 -1.87 0.26 0.00 -1.78 0.00 0.00 34.13 30.45 2kma s GLU 186 CO 0.34 -2.16 1.24 0.39 -0.49 0.00 0.00 175.26 174.58 2kma n GLU 187 N -3.65 0.16 -0.21 1.61 4.71 -1.26 -3.99 120.64 118.01 2kma n GLU 187 Ca 0.11 -0.11 0.10 0.00 -0.01 0.00 0.00 57.16 57.26 2kma n GLU 187 Cb 0.60 -1.50 0.22 0.00 -1.01 0.00 0.00 31.44 29.75 2kma n GLU 187 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2kma n HIS 188 N -1.32 0.56 -3.12 -0.32 1.44 -1.26 -4.64 115.22 106.56 2kma n HIS 188 Ca 0.06 -0.33 -0.39 0.00 -2.01 0.00 0.00 57.72 55.05 2kma n HIS 188 Cb 0.34 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.26 4.39 -0.03 -1.40 0.41 -1.26 -5.02 118.70 114.54 2kma s GLU 189 Ca 0.37 0.95 -0.28 0.00 -0.41 0.00 0.00 54.97 55.60 2kma s GLU 189 Cb 0.21 -3.26 -0.03 0.00 -1.78 0.00 0.00 34.13 29.27 2kma s GLU 189 CO 0.28 0.59 0.89 0.99 -0.49 0.00 0.00 175.26 177.52 2kma s THR 190 N -1.07 4.92 0.06 3.63 2.01 -1.22 -4.25 115.64 119.73 2kma s THR 190 Ca 0.33 1.86 0.08 0.00 0.31 0.00 0.00 61.69 64.27 2kma s THR 190 Cb -0.21 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2kma s THR 190 CO 0.23 0.17 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.37 2kma s LEU 191 N 1.05 2.55 -0.06 4.42 2.01 0.25 -1.91 118.68 126.98 2kma s LEU 191 Ca 0.47 -0.50 0.05 0.00 0.01 0.00 0.00 54.13 54.16 2kma s LEU 191 Cb -0.20 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.51 2kma s LEU 191 CO 0.24 0.24 -0.20 -0.76 1.01 0.00 0.00 176.35 176.87 2kma s LEU 192 N -1.60 2.35 -0.13 1.79 1.43 0.15 -1.27 118.68 121.40 2kma s LEU 192 Ca 0.15 -0.39 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 2kma s LEU 192 Cb -0.10 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2kma s LEU 192 CO 0.06 0.27 0.75 -0.22 0.23 0.00 0.00 176.35 177.43 2kma s LEU 193 N -0.30 4.23 0.03 1.79 0.20 -0.27 -1.89 118.68 122.46 2kma s LEU 193 Ca 0.01 1.13 0.08 0.00 0.69 0.00 0.00 54.13 56.04 2kma s LEU 193 Cb -0.13 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.49 2kma s LEU 193 CO 0.03 -0.26 -0.23 -0.13 -0.29 0.00 0.00 176.35 175.47 2kma s ARG 194 N 1.53 1.61 -0.37 1.98 1.81 -0.89 -4.31 118.95 120.32 2kma s ARG 194 Ca 0.37 -0.94 -0.26 0.00 -1.72 0.00 0.00 55.73 53.17 2kma s ARG 194 Cb -0.17 -1.69 0.02 0.00 -0.45 0.00 0.00 34.95 32.66 2kma s ARG 194 CO 0.15 0.44 0.94 0.50 -0.68 0.00 0.00 175.30 176.65 2kma s ARG 195 N -1.00 3.86 -0.16 3.54 3.52 -1.26 -0.54 118.95 126.91 2kma s ARG 195 Ca 0.09 0.63 -0.19 0.00 -0.13 0.00 0.00 55.73 56.12 2kma s ARG 195 Cb -0.09 -3.80 -0.23 0.00 -1.56 0.00 0.00 34.95 29.28 2kma s ARG 195 CO 0.01 -0.95 0.38 -0.22 -0.81 0.00 0.00 175.30 173.71 2kma h LYS 196 N 8.45 0.09 -5.99 5.12 3.64 -1.17 -3.46 116.57 123.25 2kma h LYS 196 Ca -0.23 -0.15 -0.61 0.00 -1.27 0.00 0.00 60.65 58.39 2kma h LYS 196 Cb 1.08 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2kma h LYS 196 CO 0.99 1.07 -0.30 -0.06 -2.27 0.00 0.00 179.45 178.88 2kma s PHE 197 N -2.39 3.61 -0.62 1.91 0.40 -0.02 -5.01 117.98 115.86 2kma s PHE 197 Ca -0.25 0.74 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 2kma s PHE 197 Cb 0.04 -2.11 0.25 0.00 0.51 0.00 0.00 43.02 41.71 2kma s PHE 197 CO 0.67 0.59 0.74 1.19 0.70 0.00 0.00 175.22 179.10 2kma n PHE 198 N 1.21 3.36 0.23 0.36 3.72 -1.26 -4.81 117.46 120.27 2kma n PHE 198 Ca -0.11 -4.11 0.10 0.00 -0.05 0.00 0.00 57.45 53.29 2kma n PHE 198 Cb 0.53 -0.54 0.53 0.00 -0.94 0.00 0.00 39.48 39.05 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 4.12 0.00 -5.94 1.38 -0.00 -1.96 -3.48 116.97 111.09 2kma h TYR 199 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 58.73 58.71 2kma h TYR 199 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.40 2kma h TYR 199 CO 0.70 0.21 -0.48 0.43 -0.00 0.00 0.00 178.16 179.01 2kma n SER 200 N -3.48 -6.59 0.00 0.10 7.64 -1.26 -2.52 113.62 107.51 2kma n SER 200 Ca -0.00 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2kma n SER 200 Cb 0.38 -3.79 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kma n ASP 201 N -2.01 0.00 -0.47 6.43 2.03 -1.26 -5.33 116.55 115.93 2kma n ASP 201 Ca -0.12 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.33 2kma n ASP 201 Cb 0.58 -0.06 0.53 0.00 -0.72 0.00 0.00 41.12 41.45 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95