#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 4.35 -0.10 -0.61 -0.00 -1.26 -5.01 121.20 118.57 2kma s ILE -4 Ca 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 60.65 59.82 2kma s ILE -4 Cb 0.00 -4.73 -0.03 0.00 -0.00 0.00 0.00 42.46 37.70 2kma s ILE -4 CO 0.00 -1.51 0.79 -1.81 -0.00 0.00 0.00 174.94 172.41 2kma s ASP -3 N 3.74 7.02 0.51 4.36 1.01 -1.26 -5.03 116.67 127.02 2kma s ASP -3 Ca 0.26 1.24 -0.21 0.00 0.71 0.00 0.00 52.55 54.55 2kma s ASP -3 Cb -0.13 -2.45 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 2kma s ASP -3 CO 0.06 -0.26 1.14 -2.16 0.21 0.00 0.00 175.17 174.15 2kma s PRO -2 N 1.44 3.53 -0.44 8.23 0.04 -1.26 -5.02 135.00 141.51 2kma s PRO -2 Ca 0.40 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2kma s PRO -2 Cb -0.18 -2.16 0.14 0.00 0.04 0.00 0.00 34.50 32.34 2kma s PRO -2 CO 0.17 -0.71 0.25 -0.06 0.04 0.00 0.00 177.00 176.69 2kma s PHE -1 N -1.70 1.82 0.00 0.56 0.08 -1.26 -5.12 117.98 112.37 2kma s PHE -1 Ca 0.69 -2.35 0.00 0.00 0.12 0.00 0.00 56.93 55.39 2kma s PHE -1 Cb -0.25 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2kma s PHE -1 CO 0.29 -0.78 0.00 0.25 -0.10 0.00 0.00 175.22 174.88 2kma n THR 0 N 3.49 0.00 -0.87 0.64 -2.24 -1.26 -4.85 114.28 109.19 2kma n THR 0 Ca 0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2kma n THR 0 Cb 0.36 -1.63 -0.14 0.00 -2.10 0.00 0.00 70.33 66.82 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 -1.13 1.73 -3.32 -0.78 1.56 -1.26 -4.19 117.12 109.74 2kma n MET 1 Ca 0.00 -0.84 -0.25 0.00 -0.27 0.00 0.00 57.70 56.33 2kma n MET 1 Cb 0.00 -1.90 -0.08 0.00 2.15 0.00 0.00 33.22 33.39 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 2.51 0.04 -3.94 1.12 0.24 -1.26 -5.09 118.33 111.95 2kma n VAL 2 Ca 0.36 -4.23 -0.11 0.00 -2.04 0.00 0.00 64.34 58.32 2kma n VAL 2 Cb 0.80 -1.95 -0.12 0.00 -1.47 0.00 0.00 33.84 31.09 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 0.10 -0.16 2.33 0.00 -1.26 -3.97 121.76 117.52 2kma s ALA 3 Ca 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 2kma s ALA 3 Cb 0.13 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2kma s ALA 3 CO -0.11 -0.07 -0.08 -0.51 0.00 0.00 0.00 175.76 174.99 2kma s LEU 4 N -0.76 2.94 -0.55 0.00 1.02 0.18 -4.77 118.68 116.74 2kma s LEU 4 Ca -0.08 -0.28 -0.21 0.00 0.02 0.00 0.00 54.13 53.59 2kma s LEU 4 Cb -0.05 -1.70 0.06 0.00 0.02 0.00 0.00 46.19 44.52 2kma s LEU 4 CO -0.00 0.12 0.78 -0.44 0.02 0.00 0.00 176.35 176.82 2kma s SER 5 N 0.63 6.24 -0.10 2.29 0.01 -1.26 -1.58 113.70 119.93 2kma s SER 5 Ca -0.05 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.41 2kma s SER 5 Cb -0.15 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2kma s SER 5 CO 0.03 -1.10 -0.16 -0.76 0.41 0.00 0.00 173.24 171.66 2kma s LEU 6 N 3.23 2.57 -0.45 2.44 1.43 0.48 -1.65 118.68 126.72 2kma s LEU 6 Ca 0.20 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 2kma s LEU 6 Cb -0.18 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.53 2kma s LEU 6 CO 0.13 0.21 1.11 -0.54 0.23 0.00 0.00 176.35 177.49 2kma s LYS 7 N 0.05 3.76 -0.64 1.70 1.02 -0.67 -1.79 119.74 123.18 2kma s LYS 7 Ca -0.06 0.60 -0.21 0.00 0.02 0.00 0.00 55.97 56.32 2kma s LYS 7 Cb -0.15 -3.88 0.09 0.00 -0.52 0.00 0.00 37.83 33.37 2kma s LYS 7 CO 0.05 -1.29 0.85 0.42 -0.92 0.00 0.00 175.35 174.45 2kma s ILE 8 N 4.27 4.56 -0.18 2.17 -1.09 0.18 0.28 121.20 131.40 2kma s ILE 8 Ca 0.46 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 58.11 2kma s ILE 8 Cb -0.08 -4.60 -0.05 0.00 -1.58 0.00 0.00 42.46 36.15 2kma s ILE 8 CO 0.29 -1.31 0.12 -0.44 -1.23 0.00 0.00 174.94 172.37 2kma s SER 9 N 3.65 6.13 -0.46 3.58 0.01 -1.11 0.44 113.70 125.95 2kma s SER 9 Ca 0.17 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.72 2kma s SER 9 Cb -0.20 -2.05 0.14 0.00 0.21 0.00 0.00 66.02 64.12 2kma s SER 9 CO 0.08 0.23 0.26 -0.63 0.41 0.00 0.00 173.24 173.59 2kma s ILE 10 N 0.03 1.63 0.00 1.44 1.01 0.18 -1.95 121.20 123.54 2kma s ILE 10 Ca 0.09 -2.75 0.00 0.00 0.00 0.00 0.00 60.65 57.99 2kma s ILE 10 Cb -0.11 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2kma s ILE 10 CO -0.00 -0.89 0.00 0.61 0.00 0.00 0.00 174.94 174.65 2kma n GLY 11 N 3.39 2.01 0.03 6.18 0.00 -1.26 -2.67 105.19 112.87 2kma n GLY 11 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 2kma n GLY 11 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kma n ASN 12 N 5.73 3.63 -4.80 1.61 6.94 -1.26 -5.03 115.26 122.08 2kma n ASN 12 Ca 0.00 -0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 2kma n ASN 12 Cb 0.00 0.62 -0.02 0.00 -2.36 0.00 0.00 39.78 38.02 2kma n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2kma s VAL 13 N -2.13 3.77 -0.10 3.53 0.11 -1.09 -5.06 120.40 119.42 2kma s VAL 13 Ca -0.03 1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2kma s VAL 13 Cb 0.02 -3.42 0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2kma s VAL 13 CO 0.23 -0.32 0.23 0.54 -3.33 0.00 0.00 175.10 172.44 2kma s VAL 14 N -2.11 -0.20 0.09 2.04 0.11 -1.26 0.48 120.40 119.54 2kma s VAL 14 Ca 0.66 0.23 0.10 0.00 -2.93 0.00 0.00 61.98 60.05 2kma s VAL 14 Cb -0.17 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kma s VAL 14 CO 0.25 0.10 -0.26 -0.54 -3.33 0.00 0.00 175.10 171.32 2kma s LYS 15 N 1.81 1.61 -0.32 1.54 -0.14 0.17 -4.92 119.74 119.50 2kma s LYS 15 Ca -0.04 -1.23 -0.13 0.00 -1.36 0.00 0.00 55.97 53.21 2kma s LYS 15 Cb -0.11 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 34.05 2kma s LYS 15 CO -0.08 0.48 0.27 0.99 -0.76 0.00 0.00 175.35 176.25 2kma s THR 16 N -0.95 5.25 0.06 2.17 2.01 -1.26 0.51 115.64 123.44 2kma s THR 16 Ca 0.13 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.22 2kma s THR 16 Cb -0.10 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2kma s THR 16 CO 0.04 0.07 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.87 2kma s MET 17 N 1.84 0.79 -0.02 4.92 -1.94 -0.74 -4.98 119.30 119.17 2kma s MET 17 Ca 0.09 -0.90 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 2kma s MET 17 Cb -0.17 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 35.89 2kma s MET 17 CO 0.11 0.17 -0.20 -0.65 -0.01 0.00 0.00 175.02 174.44 2kma s GLN 18 N -1.63 2.26 0.15 2.03 -0.21 -1.26 -0.39 119.66 120.61 2kma s GLN 18 Ca -0.03 -0.84 0.05 0.00 0.02 0.00 0.00 55.36 54.56 2kma s GLN 18 Cb -0.10 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 2kma s GLN 18 CO 0.02 0.58 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.60 2kma s PHE 19 N -0.72 1.30 0.32 0.91 0.08 -0.62 -4.88 117.98 114.38 2kma s PHE 19 Ca 0.11 -0.72 -0.23 0.00 0.12 0.00 0.00 56.93 56.22 2kma s PHE 19 Cb -0.10 -0.66 -0.10 0.00 -0.57 0.00 0.00 43.02 41.59 2kma s PHE 19 CO 0.01 0.11 0.88 -1.21 -0.10 0.00 0.00 175.22 174.90 2kma s GLU 20 N -3.60 4.39 0.57 0.44 2.02 -1.26 0.51 118.70 121.76 2kma s GLU 20 Ca 0.16 1.12 0.28 0.00 0.02 0.00 0.00 54.97 56.56 2kma s GLU 20 Cb 0.01 -2.66 1.48 0.00 0.10 0.00 0.00 34.13 33.06 2kma s GLU 20 CO 0.01 0.23 1.95 -1.00 0.02 0.00 0.00 175.26 176.47 2kma h PRO 21 N 2.90 0.00 -0.60 0.39 0.13 -1.93 0.82 132.00 133.71 2kma h PRO 21 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kma h PRO 21 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kma h PRO 21 CO 0.64 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.28 2kma n SER 22 N -3.96 3.62 0.00 1.44 3.41 -1.26 -3.39 113.62 113.47 2kma n SER 22 Ca 0.09 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.60 2kma n SER 22 Cb 0.65 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 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 3.59 1.01 -0.03 6.66 2.02 -1.20 -3.49 112.91 121.47 2kma h THR 23 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2kma h THR 23 Cb 0.91 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2kma h THR 23 CO 0.00 0.02 -0.01 0.80 0.37 0.00 0.00 175.52 176.70 2kma n MET 24 N -5.04 -0.04 -0.38 6.66 1.56 -1.26 -4.25 117.12 114.37 2kma n MET 24 Ca -0.05 0.03 -0.02 0.00 -0.27 0.00 0.00 57.70 57.39 2kma n MET 24 Cb 0.04 -0.03 0.03 0.00 2.15 0.00 0.00 33.22 35.40 2kma n MET 24 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 2kma n VAL 25 N -0.82 -0.53 0.07 1.12 0.31 -1.18 -0.63 118.33 116.66 2kma n VAL 25 Ca 0.00 2.30 0.08 0.00 -0.01 0.00 0.00 64.34 66.71 2kma n VAL 25 Cb 0.00 -3.02 0.53 0.00 -0.91 0.00 0.00 33.84 30.44 2kma n VAL 25 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2kma h TYR 26 N 0.00 0.29 0.08 3.52 -0.00 -1.87 -1.27 116.97 117.72 2kma h TYR 26 Ca 0.32 0.01 -0.28 0.00 0.00 0.00 0.00 58.73 58.78 2kma h TYR 26 Cb 0.57 -0.10 0.02 0.00 0.00 0.00 0.00 36.73 37.22 2kma h TYR 26 CO -0.87 0.17 -1.16 0.22 -0.00 0.00 0.00 178.16 176.52 2kma h ASP 27 N 0.30 0.80 -0.66 0.10 1.82 -1.05 -3.14 116.42 114.59 2kma h ASP 27 Ca 0.13 -0.71 0.06 0.00 -0.39 0.00 0.00 57.03 56.13 2kma h ASP 27 Cb 0.15 -0.25 -0.06 0.00 0.68 0.00 0.00 39.33 39.85 2kma h ASP 27 CO -0.03 1.52 0.35 0.00 -1.61 0.00 0.00 179.24 179.47 2kma h ALA 28 N 0.41 0.88 -0.54 -0.78 0.00 -0.45 -1.90 119.26 116.88 2kma h ALA 28 Ca -0.16 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2kma h ALA 28 Cb 1.83 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2kma h ALA 28 CO 0.22 0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.84 2kma h ARG 30 N 0.41 0.55 -0.02 0.00 0.11 -1.31 -3.14 114.38 110.98 2kma h ARG 30 Ca 0.24 -0.58 -0.15 0.00 0.10 0.00 0.00 59.98 59.58 2kma h ARG 30 Cb 0.42 0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.67 2kma h ARG 30 CO -0.06 1.20 -0.59 0.52 0.10 0.00 0.00 179.97 181.14 2kma h MET 31 N 0.31 0.43 -0.34 0.08 2.86 -1.21 -3.15 114.93 113.91 2kma h MET 31 Ca -0.10 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.12 2kma h MET 31 Cb 1.62 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.37 2kma h MET 31 CO 0.18 1.10 0.17 0.97 1.06 0.00 0.00 176.91 180.39 2kma h ILE 32 N -0.06 0.98 -0.11 -1.22 2.10 -1.28 -0.15 117.51 117.77 2kma h ILE 32 Ca -0.07 -0.12 0.03 0.00 1.08 0.00 0.00 64.86 65.78 2kma h ILE 32 Cb 1.29 0.60 -0.00 0.00 -1.09 0.00 0.00 36.82 37.62 2kma h ILE 32 CO 0.12 0.06 0.12 0.03 -1.08 0.00 0.00 178.15 177.40 2kma h ARG 33 N 0.35 0.00 0.35 2.19 3.08 -1.65 0.18 114.38 118.89 2kma h ARG 33 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 2kma h ARG 33 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2kma h ARG 33 CO -0.10 0.00 -0.17 1.49 -1.07 0.00 0.00 179.97 180.12 2kma h GLU 34 N 0.00 -0.46 0.17 0.04 4.81 -0.98 -3.37 114.58 114.79 2kma h GLU 34 Ca 0.05 0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 2kma h GLU 34 Cb 0.28 0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.78 2kma h GLU 34 CO -0.00 -0.14 -1.31 0.07 -0.73 0.00 0.00 179.01 176.90 2kma h ARG 35 N -0.92 0.35 -4.24 1.92 -0.00 -1.34 -3.43 114.38 106.71 2kma h ARG 35 Ca -0.05 -0.61 -0.74 0.00 -0.00 0.00 0.00 59.98 58.58 2kma h ARG 35 Cb 0.53 0.23 -0.25 0.00 -0.00 0.00 0.00 29.97 30.48 2kma h ARG 35 CO 0.08 1.29 -0.31 0.42 -0.00 0.00 0.00 179.97 181.44 2kma s ILE 36 N -2.51 4.97 -0.26 0.08 1.01 0.63 -4.92 121.20 120.21 2kma s ILE 36 Ca -0.15 -1.35 0.28 0.00 0.00 0.00 0.00 60.65 59.42 2kma s ILE 36 Cb 0.03 -4.09 0.34 0.00 0.01 0.00 0.00 42.46 38.76 2kma s ILE 36 CO 0.84 -0.70 1.80 -0.65 0.00 0.00 0.00 174.94 176.23 2kma h PRO 37 N 8.72 0.00 0.00 2.79 0.11 -1.81 -2.96 132.00 138.86 2kma h PRO 37 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2kma h PRO 37 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2kma h PRO 37 CO 0.92 0.00 -0.30 1.49 -0.21 0.00 0.00 178.00 179.90 2kma h GLU 38 N 0.00 0.00 -0.81 1.05 4.57 -1.93 -2.76 114.58 114.70 2kma h GLU 38 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2kma h GLU 38 Cb 0.69 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 2kma h GLU 38 CO 0.00 0.30 0.35 0.00 -1.18 0.00 0.00 179.01 178.48 2kma h ALA 39 N 1.70 1.09 -0.95 2.92 0.00 -1.86 -2.88 119.26 119.28 2kma h ALA 39 Ca -0.00 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.19 2kma h ALA 39 Cb 0.67 -0.32 -0.29 0.00 0.00 0.00 0.00 17.79 17.85 2kma h ALA 39 CO 0.04 0.66 0.64 1.47 0.00 0.00 0.00 179.25 182.06 2kma n LEU 40 N -4.29 6.77 0.32 0.00 -0.00 -1.04 -4.63 117.00 114.12 2kma n LEU 40 Ca 0.08 -3.79 0.17 0.00 -0.00 0.00 0.00 56.01 52.47 2kma n LEU 40 Cb 0.17 -0.85 0.91 0.00 -0.00 0.00 0.00 43.42 43.65 2kma n LEU 40 CO 0.40 1.17 1.12 0.00 -0.00 0.00 0.00 177.39 180.08 2kma h ALA 41 N 1.24 1.21 -3.00 1.47 0.00 -1.47 -3.42 119.26 115.28 2kma h ALA 41 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2kma h ALA 41 Cb 2.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2kma h ALA 41 CO 1.17 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2kma n GLY 42 N -1.18 5.36 3.60 0.00 0.00 -1.26 -5.08 105.19 106.63 2kma n GLY 42 Ca -0.02 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 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 4.05 3.62 0.66 1.61 0.02 -1.26 -4.89 135.00 138.81 2kma s PRO 43 Ca 0.00 0.97 0.43 0.00 0.02 0.00 0.00 61.00 62.42 2kma s PRO 43 Cb 0.00 -4.01 2.36 0.00 0.02 0.00 0.00 34.50 32.87 2kma s PRO 43 CO 0.00 -1.51 2.33 -1.00 -0.33 0.00 0.00 177.00 176.49 2kma h PRO 44 N 10.53 0.00 0.00 5.54 0.13 -1.93 0.25 132.00 146.51 2kma h PRO 44 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kma h PRO 44 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kma h PRO 44 CO 1.08 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.94 2kma h ASN 45 N 0.00 0.00 -0.44 1.44 2.35 -2.01 -2.78 115.58 114.15 2kma h ASN 45 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2kma h ASN 45 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2kma h ASN 45 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 2kma n ASP 46 N -2.65 3.26 -4.49 5.81 9.92 0.86 -4.94 116.55 124.31 2kma n ASP 46 Ca 0.02 -1.94 -0.33 0.00 -0.53 0.00 0.00 54.79 52.01 2kma n ASP 46 Cb 0.32 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.39 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 -1.11 2.79 0.00 1.24 0.08 -1.05 0.63 117.98 120.57 2kma s PHE 47 Ca 0.34 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.22 2kma s PHE 47 Cb 0.18 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2kma s PHE 47 CO 0.25 0.17 0.00 0.41 -0.10 0.00 0.00 175.22 175.95 2kma n GLY 48 N 2.48 3.68 3.39 4.36 0.00 0.56 -4.76 105.19 114.90 2kma n GLY 48 Ca -0.18 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 4.01 -0.15 0.99 1.43 -1.26 -2.04 118.68 121.65 2kma s LEU 49 Ca 0.00 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2kma s LEU 49 Cb 0.00 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2kma s LEU 49 CO 0.00 -0.20 0.03 0.12 0.23 0.00 0.00 176.35 176.53 2kma s PHE 50 N 1.55 3.20 -0.33 0.29 5.36 0.02 -0.29 117.98 127.78 2kma s PHE 50 Ca 0.03 0.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.87 2kma s PHE 50 Cb -0.17 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 2kma s PHE 50 CO 0.04 0.21 0.50 -1.17 -1.46 0.00 0.00 175.22 173.34 2kma s LEU 51 N 0.03 4.27 -0.11 6.12 1.98 0.96 0.02 118.68 131.95 2kma s LEU 51 Ca 0.04 0.09 -0.17 0.00 -2.89 0.00 0.00 54.13 51.20 2kma s LEU 51 Cb -0.13 -2.58 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 2kma s LEU 51 CO 0.01 -0.42 0.43 -0.44 -1.89 0.00 0.00 176.35 174.05 2kma s SER 52 N 1.71 6.65 0.11 3.68 0.01 -1.03 -1.81 113.70 123.02 2kma s SER 52 Ca 0.19 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2kma s SER 52 Cb -0.16 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2kma s SER 52 CO 0.12 0.06 0.00 -0.67 0.41 0.00 0.00 173.24 173.16 2kma n ASP 53 N 3.45 1.01 0.10 2.44 2.03 -1.26 -4.38 116.55 119.93 2kma n ASP 53 Ca -0.09 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2kma n ASP 53 Cb 0.52 -0.29 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -3.48 -1.87 -4.49 1.67 2.03 -1.26 -5.04 116.55 104.12 2kma n ASP 54 Ca 0.00 0.69 -0.31 0.00 0.52 0.00 0.00 54.79 55.68 2kma n ASP 54 Cb 0.02 2.01 -0.12 0.00 -0.72 0.00 0.00 41.12 42.31 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 -1.99 4.02 0.45 1.67 2.15 -1.26 -5.02 116.67 116.69 2kma s ASP 55 Ca 0.00 -0.34 0.29 0.00 0.43 0.00 0.00 52.55 52.93 2kma s ASP 55 Cb 0.00 -0.74 1.39 0.00 -0.30 0.00 0.00 42.92 43.27 2kma s ASP 55 CO 0.00 0.27 1.67 1.55 -0.17 0.00 0.00 175.17 178.48 2kma h PRO 56 N 4.57 0.14 0.05 4.34 0.13 -1.95 0.18 132.00 139.46 2kma h PRO 56 Ca -0.48 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 2kma h PRO 56 Cb 1.16 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2kma h PRO 56 CO 0.49 0.09 -1.04 0.87 -0.23 0.00 0.00 178.00 178.18 2kma h LYS 57 N 0.14 0.23 0.00 0.86 1.79 -1.96 -3.13 116.57 114.50 2kma h LYS 57 Ca 0.76 -0.31 -0.11 0.00 -2.18 0.00 0.00 60.65 58.81 2kma h LYS 57 Cb 2.40 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 33.14 2kma h LYS 57 CO -0.33 1.08 -0.51 0.87 -1.08 0.00 0.00 179.45 179.49 2kma h LYS 58 N 0.10 0.00 -7.29 3.15 1.57 -1.10 -3.44 116.57 109.57 2kma h LYS 58 Ca -0.08 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.20 2kma h LYS 58 Cb 1.73 0.00 0.07 0.00 0.08 0.00 0.00 32.23 34.11 2kma h LYS 58 CO 0.16 0.51 0.38 0.20 -0.57 0.00 0.00 179.45 180.14 2kma s GLY 59 N -4.42 1.84 0.04 3.86 0.00 -0.11 -4.74 107.32 103.79 2kma s GLY 59 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2kma s GLY 59 CO 0.73 0.42 -0.07 -0.26 0.00 0.00 0.00 173.10 173.92 2kma s ILE 60 N -2.87 0.46 0.04 0.90 -4.36 -0.75 -4.93 121.20 109.68 2kma s ILE 60 Ca 0.59 -1.08 -0.24 0.00 -0.26 0.00 0.00 60.65 59.66 2kma s ILE 60 Cb -0.13 -0.58 -0.06 0.00 1.25 0.00 0.00 42.46 42.94 2kma s ILE 60 CO 0.47 -0.43 0.72 0.26 0.24 0.00 0.00 174.94 176.20 2kma s TRP 61 N -1.49 3.74 -0.41 1.37 0.52 -1.26 -0.03 118.94 121.39 2kma s TRP 61 Ca -0.10 1.42 -0.16 0.00 0.02 0.00 0.00 56.10 57.28 2kma s TRP 61 Cb -0.09 -2.76 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2kma s TRP 61 CO -0.00 0.31 0.37 -0.51 0.02 0.00 0.00 176.95 177.14 2kma s LEU 62 N -0.17 4.92 0.67 2.99 1.43 0.60 -4.93 118.68 124.18 2kma s LEU 62 Ca 0.36 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2kma s LEU 62 Cb -0.20 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.74 2kma s LEU 62 CO 0.22 -0.49 1.06 -1.83 0.23 0.00 0.00 176.35 175.53 2kma s GLU 63 N 1.92 3.05 0.00 1.70 -1.05 -1.26 -4.38 118.70 118.68 2kma s GLU 63 Ca 0.09 0.98 0.28 0.00 -0.15 0.00 0.00 54.97 56.17 2kma s GLU 63 Cb -0.18 -2.00 1.16 0.00 -0.44 0.00 0.00 34.13 32.67 2kma s GLU 63 CO 0.12 -1.01 1.83 0.00 0.95 0.00 0.00 175.26 177.15 2kma n ALA 64 N -2.91 2.76 0.57 -0.84 0.00 -1.26 -3.94 120.51 114.89 2kma n ALA 64 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.29 2kma n ALA 64 Cb 0.53 -1.34 0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 1.35 1.88 3.64 0.00 0.00 -1.26 -4.44 105.19 106.35 2kma n GLY 65 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.35 1.28 0.83 1.61 0.00 -1.25 -5.13 119.74 115.72 2kma s LYS 66 Ca 0.12 -0.61 -0.09 0.00 0.00 0.00 0.00 55.97 55.39 2kma s LYS 66 Cb 0.09 0.49 0.15 0.00 0.00 0.00 0.00 37.83 38.57 2kma s LYS 66 CO 0.03 -0.57 1.15 0.00 0.00 0.00 0.00 175.35 175.96 2kma s ALA 67 N -3.51 2.95 -0.09 0.59 0.00 -1.26 -3.13 121.76 117.31 2kma s ALA 67 Ca 0.08 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 2kma s ALA 67 Cb -0.02 -2.44 -0.23 0.00 0.00 0.00 0.00 23.12 20.43 2kma s ALA 67 CO -0.03 -1.90 0.94 -0.07 0.00 0.00 0.00 175.76 174.71 2kma h LEU 68 N -1.06 -0.01 0.00 0.00 3.38 -1.87 -3.26 115.31 112.49 2kma h LEU 68 Ca -0.41 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 56.81 2kma h LEU 68 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2kma h LEU 68 CO 0.42 0.76 0.00 -0.67 0.09 0.00 0.00 178.44 179.04 2kma n ASP 69 N -4.73 0.00 -0.33 -0.43 2.03 -1.22 -2.07 116.55 109.81 2kma n ASP 69 Ca -0.09 0.25 0.01 0.00 0.52 0.00 0.00 54.79 55.48 2kma n ASP 69 Cb 0.37 -0.40 0.14 0.00 -0.72 0.00 0.00 41.12 40.52 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 1.08 0.00 -0.67 3.20 -1.80 -3.42 116.97 115.36 2kma h TYR 70 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2kma h TYR 70 Cb 0.27 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2kma h TYR 70 CO 0.00 0.57 0.00 0.66 -1.64 0.00 0.00 178.16 177.75 2kma n TYR 71 N -4.56 0.00 -1.00 -3.82 4.02 -0.88 -4.95 117.16 105.98 2kma n TYR 71 Ca 0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2kma n TYR 71 Cb 0.15 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 39.82 2kma n TYR 71 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2kma n MET 72 N 0.00 4.17 -3.20 -0.72 2.81 -1.26 -4.97 117.12 113.94 2kma n MET 72 Ca 0.00 -3.12 -0.36 0.00 -1.81 0.00 0.00 57.70 52.41 2kma n MET 72 Cb 0.00 -2.23 -0.06 0.00 -0.71 0.00 0.00 33.22 30.22 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 -2.91 4.34 0.00 4.03 1.43 -1.26 -5.02 118.68 119.29 2kma s LEU 73 Ca 0.55 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2kma s LEU 73 Cb 0.43 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2kma s LEU 73 CO 0.14 0.06 0.00 -2.11 0.23 0.00 0.00 176.35 174.68 2kma n ARG 74 N 0.77 0.00 -1.73 1.70 -4.01 -1.26 -4.47 116.66 107.67 2kma n ARG 74 Ca -0.04 0.00 -0.40 0.00 -1.04 0.00 0.00 57.85 56.37 2kma n ARG 74 Cb 0.51 0.00 -0.03 0.00 -3.04 0.00 0.00 32.46 29.90 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 0.55 5.19 0.00 2.89 0.01 -1.26 -2.39 114.94 119.93 2kma s ASN 75 Ca 0.00 1.31 0.00 0.00 -0.71 0.00 0.00 52.86 53.46 2kma s ASN 75 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 2kma s ASN 75 CO 0.00 -2.26 0.00 0.61 -1.51 0.00 0.00 177.10 173.94 2kma n GLY 76 N 5.76 1.29 3.80 0.66 0.00 -0.66 -4.90 105.19 111.15 2kma n GLY 76 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.46 6.59 -0.14 1.61 1.01 -1.01 -4.83 116.67 119.45 2kma s ASP 77 Ca 0.00 1.92 -0.12 0.00 0.71 0.00 0.00 52.55 55.06 2kma s ASP 77 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2kma s ASP 77 CO 0.00 -0.61 0.24 -0.89 0.21 0.00 0.00 175.17 174.12 2kma s THR 78 N -1.91 5.33 -0.20 -1.27 2.01 -1.26 -1.67 115.64 116.68 2kma s THR 78 Ca 0.63 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.06 2kma s THR 78 Cb -0.17 -3.56 0.05 0.00 0.01 0.00 0.00 72.50 68.84 2kma s THR 78 CO 0.21 0.48 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.27 2kma s MET 79 N -0.12 1.30 -0.09 4.92 1.75 0.14 -2.48 119.30 124.72 2kma s MET 79 Ca 0.15 -0.66 -0.29 0.00 -1.25 0.00 0.00 55.69 53.65 2kma s MET 79 Cb -0.13 -2.24 -0.02 0.00 2.84 0.00 0.00 34.83 35.29 2kma s MET 79 CO 0.04 -0.54 0.96 -1.21 -0.65 0.00 0.00 175.02 173.61 2kma s GLU 80 N 1.61 4.43 -0.52 4.11 2.02 0.10 -2.76 118.70 127.68 2kma s GLU 80 Ca -0.02 1.31 -0.18 0.00 0.02 0.00 0.00 54.97 56.09 2kma s GLU 80 Cb -0.17 -3.53 0.07 0.00 0.10 0.00 0.00 34.13 30.61 2kma s GLU 80 CO -0.07 -0.24 0.61 -0.47 0.02 0.00 0.00 175.26 175.10 2kma s TYR 81 N 1.77 3.07 0.28 1.61 5.04 -0.82 -0.80 117.35 127.50 2kma s TYR 81 Ca 0.47 -0.72 0.02 0.00 -2.44 0.00 0.00 57.07 54.40 2kma s TYR 81 Cb -0.18 -3.61 -0.05 0.00 0.35 0.00 0.00 41.96 38.46 2kma s TYR 81 CO 0.19 -1.06 0.10 -0.98 -1.34 0.00 0.00 175.55 172.45 2kma s ARG 82 N 2.48 1.50 0.08 4.97 1.70 -0.86 -4.57 118.95 124.24 2kma s ARG 82 Ca 0.12 -1.83 -0.31 0.00 -0.47 0.00 0.00 55.73 53.25 2kma s ARG 82 Cb -0.21 -0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 33.70 2kma s ARG 82 CO 0.10 -0.29 1.43 0.21 -1.08 0.00 0.00 175.30 175.66 2kma s LYS 83 N -3.97 4.29 0.59 3.89 2.20 -1.26 -0.32 119.74 125.16 2kma s LYS 83 Ca 0.37 2.08 0.29 0.00 -0.36 0.00 0.00 55.97 58.35 2kma s LYS 83 Cb 0.08 -3.38 1.80 0.00 -1.51 0.00 0.00 37.83 34.81 2kma s LYS 83 CO 0.14 -0.52 2.24 0.87 -0.36 0.00 0.00 175.35 177.73 2kma h LYS 84 N 7.29 0.00 -6.30 4.03 1.79 -0.10 -3.41 116.57 119.87 2kma h LYS 84 Ca -0.41 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.50 2kma h LYS 84 Cb 1.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2kma h LYS 84 CO 0.88 0.00 0.02 -0.65 -1.08 0.00 0.00 179.45 178.63 2kma s GLN 85 N -4.64 4.30 0.19 3.15 -1.52 -1.25 -0.39 119.66 119.50 2kma s GLN 85 Ca -0.05 0.84 0.08 0.00 -1.95 0.00 0.00 55.36 54.28 2kma s GLN 85 Cb 0.15 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2kma s GLN 85 CO 0.55 0.61 -0.01 -0.98 -0.25 0.00 0.00 175.29 175.21 2kma s ARG 86 N -1.06 2.36 -0.50 2.91 1.04 0.06 -4.79 118.95 118.97 2kma s ARG 86 Ca 0.31 -1.18 -0.27 0.00 -1.04 0.00 0.00 55.73 53.55 2kma s ARG 86 Cb -0.20 -2.31 -0.04 0.00 -2.04 0.00 0.00 34.95 30.36 2kma s ARG 86 CO 0.21 0.43 2.08 -2.14 -0.04 0.00 0.00 175.30 175.84 2kma s PRO 87 N -3.09 2.56 -0.34 3.89 0.02 -1.26 -3.10 135.00 133.67 2kma s PRO 87 Ca 0.28 1.12 -0.14 0.00 0.02 0.00 0.00 61.00 62.28 2kma s PRO 87 Cb -0.09 -4.43 -0.02 0.00 0.02 0.00 0.00 34.50 29.98 2kma s PRO 87 CO 0.19 -2.77 0.28 -1.17 -0.33 0.00 0.00 177.00 173.19 2kma s LEU 88 N 9.90 4.50 -0.25 -5.54 2.96 -0.57 -4.65 118.68 125.02 2kma s LEU 88 Ca 0.83 -0.37 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 2kma s LEU 88 Cb -0.17 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 2kma s LEU 88 CO 0.25 -0.27 0.39 -0.54 -1.32 0.00 0.00 176.35 174.86 2kma s LYS 89 N 1.81 4.07 -0.05 1.98 3.01 -1.26 -0.87 119.74 128.43 2kma s LYS 89 Ca 0.08 0.11 0.04 0.00 -1.01 0.00 0.00 55.97 55.19 2kma s LYS 89 Cb -0.17 -3.61 -0.00 0.00 -1.01 0.00 0.00 37.83 33.03 2kma s LYS 89 CO 0.11 -0.20 -0.18 0.42 0.51 0.00 0.00 175.35 176.01 2kma s ILE 90 N 1.82 1.52 -0.28 2.17 -1.09 0.50 -0.81 121.20 125.03 2kma s ILE 90 Ca 0.17 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2kma s ILE 90 Cb -0.15 -1.32 0.02 0.00 -1.58 0.00 0.00 42.46 39.43 2kma s ILE 90 CO 0.09 0.44 0.02 -0.60 -1.23 0.00 0.00 174.94 173.66 2kma s ARG 91 N 0.15 2.92 0.52 2.79 3.52 -0.51 -0.22 118.95 128.12 2kma s ARG 91 Ca -0.07 -0.95 -0.03 0.00 -0.13 0.00 0.00 55.73 54.55 2kma s ARG 91 Cb -0.13 -3.21 0.11 0.00 -1.56 0.00 0.00 34.95 30.15 2kma s ARG 91 CO 0.03 -0.45 0.71 0.00 -0.81 0.00 0.00 175.30 174.79 2kma n MET 92 N 4.77 -0.14 -0.35 5.12 0.00 0.16 -3.15 117.12 123.52 2kma n MET 92 Ca -0.15 -1.64 0.05 0.00 0.00 0.00 0.00 57.70 55.96 2kma n MET 92 Cb 0.47 -0.56 0.21 0.00 0.00 0.00 0.00 33.22 33.34 2kma n MET 92 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kma h LEU 93 N 0.00 0.90 -2.43 3.17 -0.00 -1.87 0.36 115.31 115.44 2kma h LEU 93 Ca -0.23 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2kma h LEU 93 Cb 0.79 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2kma h LEU 93 CO 0.22 0.51 -0.02 -0.78 -0.00 0.00 0.00 178.44 178.37 2kma h ASP 94 N 0.99 0.00 0.00 -0.43 3.58 -1.98 -3.44 116.42 115.14 2kma h ASP 94 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2kma h ASP 94 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2kma h ASP 94 CO -0.24 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.74 2kma n GLY 95 N -0.78 0.96 3.73 -0.78 0.00 0.13 -5.08 105.19 103.36 2kma n GLY 95 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.66 -0.07 2.61 2.01 -1.22 -4.77 115.64 116.87 2kma s THR 96 Ca 0.00 1.88 0.01 0.00 0.31 0.00 0.00 61.69 63.89 2kma s THR 96 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2kma s THR 96 CO 0.00 0.31 -0.09 0.54 -0.69 0.00 0.00 174.62 174.69 2kma s VAL 97 N 0.17 3.50 0.05 3.82 0.11 -1.26 0.36 120.40 127.16 2kma s VAL 97 Ca 0.44 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2kma s VAL 97 Cb -0.22 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 2kma s VAL 97 CO 0.26 0.58 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.98 2kma s LYS 98 N -0.62 0.57 -0.21 1.54 -2.85 0.70 -4.96 119.74 113.91 2kma s LYS 98 Ca 0.09 -0.99 -0.01 0.00 -1.00 0.00 0.00 55.97 54.07 2kma s LYS 98 Cb -0.11 -0.02 0.01 0.00 -2.06 0.00 0.00 37.83 35.65 2kma s LYS 98 CO 0.02 -0.04 -0.11 0.99 0.10 0.00 0.00 175.35 176.30 2kma s THR 99 N -2.65 2.66 0.07 3.79 2.01 -1.25 -0.37 115.64 119.90 2kma s THR 99 Ca -0.02 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.21 2kma s THR 99 Cb -0.01 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2kma s THR 99 CO -0.04 0.40 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.57 2kma s ILE 100 N 1.35 1.66 -0.37 1.82 -1.16 -0.05 -4.88 121.20 119.57 2kma s ILE 100 Ca 0.04 -1.33 -0.20 0.00 -0.51 0.00 0.00 60.65 58.64 2kma s ILE 100 Cb -0.15 -1.48 0.01 0.00 0.61 0.00 0.00 42.46 41.46 2kma s ILE 100 CO -0.08 0.09 0.64 -0.04 -2.81 0.00 0.00 174.94 172.74 2kma s MET 101 N -1.48 3.59 -0.01 3.50 -1.94 -1.26 -1.52 119.30 120.19 2kma s MET 101 Ca 0.07 -0.04 0.04 0.00 -1.71 0.00 0.00 55.69 54.05 2kma s MET 101 Cb -0.09 -3.84 -0.01 0.00 2.01 0.00 0.00 34.83 32.90 2kma s MET 101 CO 0.03 -0.80 -0.14 0.08 -0.01 0.00 0.00 175.02 174.18 2kma s VAL 102 N 2.74 1.12 -0.02 -6.03 1.01 -1.18 -4.88 120.40 113.16 2kma s VAL 102 Ca 0.24 -0.63 -0.32 0.00 0.00 0.00 0.00 61.98 61.27 2kma s VAL 102 Cb -0.14 -0.94 -0.10 0.00 0.00 0.00 0.00 36.38 35.19 2kma s VAL 102 CO 0.16 0.30 1.93 -0.67 0.00 0.00 0.00 175.10 176.82 2kma n ASP 103 N 2.69 3.82 -0.82 3.32 -0.08 -1.25 -0.76 116.55 123.46 2kma n ASP 103 Ca -0.14 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.20 2kma n ASP 103 Cb 0.55 -1.45 0.29 0.00 2.34 0.00 0.00 41.12 42.85 2kma n ASP 103 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kma n ASP 104 N 7.05 2.50 0.05 1.67 5.75 0.48 -4.00 116.55 130.05 2kma n ASP 104 Ca 0.21 -1.83 -0.07 0.00 -0.01 0.00 0.00 54.79 53.09 2kma n ASP 104 Cb 0.35 -0.10 0.09 0.00 -1.03 0.00 0.00 41.12 40.43 2kma n ASP 104 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kma h SER 105 N 3.55 0.42 -3.68 -1.12 0.02 -1.89 -3.25 113.55 107.60 2kma h SER 105 Ca 0.00 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 2kma h SER 105 Cb 0.77 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 63.21 2kma h SER 105 CO 0.00 0.92 0.04 2.29 -1.14 0.00 0.00 176.83 178.94 2kma n LYS 106 N -3.90 0.34 -0.92 3.45 -0.00 -1.26 -4.71 118.16 111.16 2kma n LYS 106 Ca -0.03 -0.69 -0.08 0.00 -0.00 0.00 0.00 58.31 57.51 2kma n LYS 106 Cb 0.62 -0.19 0.05 0.00 -0.00 0.00 0.00 35.03 35.51 2kma n LYS 106 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2kma n THR 107 N -1.85 0.00 0.15 0.58 -2.24 -1.26 -3.08 114.28 106.59 2kma n THR 107 Ca 0.04 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 2kma n THR 107 Cb 0.15 -1.53 -0.07 0.00 -2.10 0.00 0.00 70.33 66.78 2kma n THR 107 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kma h VAL 108 N -0.84 0.48 -0.60 2.28 2.07 -1.83 -3.34 116.25 114.46 2kma h VAL 108 Ca -0.12 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 66.77 2kma h VAL 108 Cb 0.38 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 30.79 2kma h VAL 108 CO 0.10 0.11 -0.27 0.74 0.02 0.00 0.00 177.57 178.27 2kma h THR 109 N -0.95 0.24 -0.70 2.57 2.02 -1.93 0.13 112.91 114.28 2kma h THR 109 Ca -0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.24 2kma h THR 109 Cb 0.51 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 2kma h THR 109 CO 0.07 0.00 0.32 -0.78 0.37 0.00 0.00 175.52 175.50 2kma h ASP 110 N -0.11 0.37 -0.52 4.18 1.82 -1.98 -0.59 116.42 119.58 2kma h ASP 110 Ca 0.26 0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.90 2kma h ASP 110 Cb 0.53 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2kma h ASP 110 CO -0.67 0.20 0.02 -0.03 -1.61 0.00 0.00 179.24 177.15 2kma h MET 111 N 0.52 0.91 -0.84 0.28 4.05 -1.09 -2.15 114.93 116.61 2kma h MET 111 Ca 0.35 -0.28 0.03 0.00 -0.28 0.00 0.00 59.70 59.52 2kma h MET 111 Cb 0.43 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 2kma h MET 111 CO -0.31 0.92 0.56 1.25 0.23 0.00 0.00 176.91 179.56 2kma h LEU 112 N 0.78 0.92 -0.94 3.39 5.85 0.12 0.21 115.31 125.64 2kma h LEU 112 Ca 0.15 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2kma h LEU 112 Cb 0.50 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2kma h LEU 112 CO 0.02 0.64 0.36 -0.03 -0.34 0.00 0.00 178.44 179.09 2kma h MET 113 N 1.07 1.12 -0.21 1.25 4.05 -0.82 -2.55 114.93 118.85 2kma h MET 113 Ca 0.33 -0.17 -0.19 0.00 -0.28 0.00 0.00 59.70 59.39 2kma h MET 113 Cb -0.01 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.59 2kma h MET 113 CO -0.09 0.88 -0.62 1.15 0.23 0.00 0.00 176.91 178.45 2kma h THR 114 N 1.11 1.30 -0.04 -0.77 2.02 -0.36 -2.99 112.91 113.18 2kma h THR 114 Ca 0.27 -1.85 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 2kma h THR 114 Cb 0.13 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2kma h THR 114 CO -0.03 0.59 -0.04 0.40 0.37 0.00 0.00 175.52 176.81 2kma h ILE 115 N 0.54 1.37 0.00 3.11 2.04 -0.50 -2.46 117.51 121.60 2kma h ILE 115 Ca -0.01 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 2kma h ILE 115 Cb 1.22 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2kma h ILE 115 CO 0.13 0.31 -0.13 0.00 0.00 0.00 0.00 178.15 178.46 2kma h ALA 117 N 1.87 0.95 -0.55 0.00 0.00 -1.36 0.32 119.26 120.51 2kma h ALA 117 Ca -0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2kma h ALA 117 Cb 0.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kma h ALA 117 CO 0.02 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.87 2kma h ARG 118 N 0.00 0.99 0.03 0.00 2.47 -0.58 -3.03 114.38 114.26 2kma h ARG 118 Ca -0.01 -0.33 -0.23 0.00 -1.26 0.00 0.00 59.98 58.15 2kma h ARG 118 Cb 1.05 -0.08 0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2kma h ARG 118 CO 0.07 1.01 -0.93 0.82 0.56 0.00 0.00 179.97 181.50 2kma h ILE 119 N 0.89 1.34 0.00 2.04 1.08 -1.43 -3.48 117.51 117.95 2kma h ILE 119 Ca 0.15 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.37 2kma h ILE 119 Cb 0.60 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 2kma h ILE 119 CO 0.04 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 178.79 2kma n GLY 120 N 1.17 1.92 0.10 5.37 0.00 -0.43 -5.03 105.19 108.28 2kma n GLY 120 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 1.16 0.00 -0.61 2.04 -0.69 -3.48 117.51 115.94 2kma h ILE 121 Ca 0.00 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.01 2kma h ILE 121 Cb 0.00 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2kma h ILE 121 CO 0.00 0.79 0.00 0.41 0.00 0.00 0.00 178.15 179.35 2kma n THR 122 N -3.38 0.00 -2.37 -0.27 -1.04 -1.20 -4.88 114.28 101.14 2kma n THR 122 Ca -0.15 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.47 2kma n THR 122 Cb 1.03 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.51 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 6.90 0.00 8.00 2.47 -1.26 -4.75 114.94 126.31 2kma s ASN 123 Ca 0.00 2.33 0.00 0.00 0.42 0.00 0.00 52.86 55.61 2kma s ASN 123 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2kma s ASN 123 CO 0.00 -0.41 0.00 0.00 -3.72 0.00 0.00 177.10 172.97 2kma n HIS 124 N 0.64 0.00 0.61 0.43 1.44 -1.26 -4.81 115.22 112.27 2kma n HIS 124 Ca 0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 2kma n HIS 124 Cb 0.45 0.00 0.46 0.00 0.12 0.00 0.00 29.99 31.02 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 -0.04 0.48 -0.30 4.39 8.00 -1.26 -2.17 116.55 125.65 2kma n ASP 125 Ca 0.00 0.58 0.14 0.00 0.71 0.00 0.00 54.79 56.22 2kma n ASP 125 Cb 0.00 -0.70 0.58 0.00 -0.02 0.00 0.00 41.12 40.98 2kma n ASP 125 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2kma n GLU 126 N -1.99 1.23 -4.29 -1.24 0.28 -1.26 -4.86 120.64 108.51 2kma n GLU 126 Ca 0.04 -0.60 -0.29 0.00 -0.16 0.00 0.00 57.16 56.15 2kma n GLU 126 Cb 0.31 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.58 2kma n GLU 126 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2kma s TYR 127 N -2.18 2.56 0.02 -1.84 2.02 -0.92 -0.40 117.35 116.61 2kma s TYR 127 Ca 0.35 -0.25 0.08 0.00 -0.37 0.00 0.00 57.07 56.88 2kma s TYR 127 Cb 0.21 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 2kma s TYR 127 CO 0.40 0.39 -0.23 -1.12 -1.57 0.00 0.00 175.55 173.42 2kma s SER 128 N -2.17 2.77 -0.00 2.29 0.01 0.16 -4.87 113.70 111.89 2kma s SER 128 Ca 0.18 -0.51 -0.21 0.00 1.31 0.00 0.00 55.95 56.72 2kma s SER 128 Cb -0.11 -0.26 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 2kma s SER 128 CO 0.11 0.23 0.62 -0.22 0.41 0.00 0.00 173.24 174.39 2kma s LEU 129 N -1.00 4.41 -0.13 2.44 0.20 -1.26 -0.77 118.68 122.58 2kma s LEU 129 Ca 0.09 1.20 -0.02 0.00 0.69 0.00 0.00 54.13 56.10 2kma s LEU 129 Cb -0.09 -2.97 0.04 0.00 -0.43 0.00 0.00 46.19 42.73 2kma s LEU 129 CO 0.01 0.08 -0.00 0.54 -0.29 0.00 0.00 176.35 176.68 2kma s VAL 130 N -0.11 0.59 -0.55 1.68 0.11 0.11 0.86 120.40 123.09 2kma s VAL 130 Ca 0.32 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.96 2kma s VAL 130 Cb -0.18 -0.84 0.09 0.00 -1.53 0.00 0.00 36.38 33.91 2kma s VAL 130 CO 0.18 0.11 0.63 -0.13 -3.33 0.00 0.00 175.10 172.56 2kma s ARG 131 N 1.86 3.06 -0.41 1.54 0.52 0.14 0.34 118.95 126.00 2kma s ARG 131 Ca 0.03 -1.23 -0.27 0.00 -0.52 0.00 0.00 55.73 53.74 2kma s ARG 131 Cb -0.14 -4.21 0.02 0.00 0.52 0.00 0.00 34.95 31.14 2kma s ARG 131 CO -0.07 -1.38 1.00 -1.21 0.02 0.00 0.00 175.30 173.67 2kma s GLU 132 N 2.47 3.76 0.36 3.54 2.02 -0.95 -3.39 118.70 126.51 2kma s GLU 132 Ca 0.11 0.54 0.04 0.00 0.02 0.00 0.00 54.97 55.68 2kma s GLU 132 Cb -0.23 -3.85 0.04 0.00 0.10 0.00 0.00 34.13 30.19 2kma s GLU 132 CO 0.08 -1.13 0.36 1.28 0.02 0.00 0.00 175.26 175.87 2kma n LEU 133 N 7.17 0.00 -0.16 1.80 4.77 -1.24 -3.63 117.00 125.71 2kma n LEU 133 Ca 0.09 -1.72 0.02 0.00 -0.03 0.00 0.00 56.01 54.37 2kma n LEU 133 Cb 0.48 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2kma n LEU 133 CO 0.63 -0.54 0.30 1.15 -1.33 0.00 0.00 177.39 177.61 2kma n MET 134 N -1.52 -0.07 -1.69 3.23 0.00 -1.26 -4.93 117.12 110.88 2kma n MET 134 Ca 0.04 -0.71 -0.42 0.00 0.00 0.00 0.00 57.70 56.60 2kma n MET 134 Cb 0.39 -1.06 -0.03 0.00 0.00 0.00 0.00 33.22 32.52 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 0.16 2.79 0.23 3.17 1.02 -1.26 -4.85 120.64 121.89 2kma n GLU 135 Ca 0.02 1.01 0.15 0.00 -0.02 0.00 0.00 57.16 58.33 2kma n GLU 135 Cb 0.10 -2.91 0.52 0.00 -0.02 0.00 0.00 31.44 29.14 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 8.55 0.00 0.00 3.49 4.11 -2.00 -2.62 114.58 126.12 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 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2kma h GLU 136 CO 0.95 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.66 2kma n LYS 137 N -2.90 0.00 0.00 1.06 5.02 -1.26 -4.70 118.16 115.39 2kma n LYS 137 Ca 0.02 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 2kma n LYS 137 Cb 0.35 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2kma n LYS 137 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kma n LYS 138 N -2.07 0.00 -3.03 1.97 3.00 -1.26 -5.00 118.16 111.78 2kma n LYS 138 Ca 0.00 0.33 -0.16 0.00 -0.00 0.00 0.00 58.31 58.48 2kma n LYS 138 Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 35.03 33.77 2kma n LYS 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kma n ASP 169 N -1.48 -7.33 -3.59 3.14 2.03 -0.98 -5.04 116.55 103.29 2kma n ASP 169 Ca 0.00 0.34 -0.13 0.00 0.52 0.00 0.00 54.79 55.52 2kma n ASP 169 Cb 0.00 -4.45 -0.05 0.00 -0.72 0.00 0.00 41.12 35.90 2kma n ASP 169 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2kma s GLU 170 N -2.61 1.05 0.45 -0.67 2.02 -1.26 -4.99 118.70 112.69 2kma s GLU 170 Ca 0.27 -0.37 0.24 0.00 0.02 0.00 0.00 54.97 55.13 2kma s GLU 170 Cb -0.06 0.47 0.98 0.00 0.10 0.00 0.00 34.13 35.62 2kma s GLU 170 CO 0.80 -0.39 1.86 -0.07 0.02 0.00 0.00 175.26 177.47 2kma h LEU 171 N 2.66 0.00 -2.81 1.80 3.38 -1.98 -3.28 115.31 115.07 2kma h LEU 171 Ca -0.32 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.49 2kma h LEU 171 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kma h LEU 171 CO 0.42 0.23 -0.56 0.59 0.09 0.00 0.00 178.44 179.21 2kma n ASN 172 N -3.45 -6.89 -4.51 -0.43 3.02 -1.22 0.19 115.26 101.98 2kma n ASN 172 Ca -0.00 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 2kma n ASN 172 Cb 0.41 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.52 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 -2.64 2.54 0.20 3.10 0.52 -1.26 0.29 118.94 121.69 2kma s TRP 173 Ca 0.13 -0.23 -0.32 0.00 0.02 0.00 0.00 56.10 55.69 2kma s TRP 173 Cb -0.03 -4.40 -0.14 0.00 -1.15 0.00 0.00 33.47 27.75 2kma s TRP 173 CO 0.81 -1.77 1.48 1.28 0.02 0.00 0.00 176.95 178.76 2kma n LEU 174 N 8.35 3.06 0.24 2.99 4.77 0.25 -4.87 117.00 131.79 2kma n LEU 174 Ca 0.00 1.12 0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2kma n LEU 174 Cb 0.47 -1.42 0.54 0.00 -2.33 0.00 0.00 43.42 40.68 2kma n LEU 174 CO 0.67 -0.42 0.87 -2.24 -1.33 0.00 0.00 177.39 174.94 2kma h ASP 175 N 4.92 0.00 -0.85 -1.43 3.04 -1.92 -3.43 116.42 116.75 2kma h ASP 175 Ca -0.45 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.12 2kma h ASP 175 Cb 1.27 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.50 2kma h ASP 175 CO 0.81 0.15 -0.22 1.41 -2.04 0.00 0.00 179.24 179.35 2kma n HIS 176 N -3.32 -0.17 0.00 4.15 8.25 -1.26 -4.86 115.22 118.01 2kma n HIS 176 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kma n HIS 176 Cb 0.38 -2.19 0.00 0.00 1.12 0.00 0.00 29.99 29.30 2kma n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kma n GLY 177 N -1.45 0.00 3.96 -1.41 0.00 -1.26 -4.68 105.19 100.35 2kma n GLY 177 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 2kma n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kma s ARG 178 N -1.81 2.99 0.52 1.61 0.52 -1.26 -4.93 118.95 116.59 2kma s ARG 178 Ca 0.00 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 2kma s ARG 178 Cb 0.00 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 2kma s ARG 178 CO 0.00 -0.30 0.87 -0.08 0.02 0.00 0.00 175.30 175.81 2kma s THR 179 N -2.54 4.81 0.25 0.02 -1.32 -1.26 -3.58 115.64 112.02 2kma s THR 179 Ca 0.49 0.53 -0.01 0.00 -1.21 0.00 0.00 61.69 61.49 2kma s THR 179 Cb -0.10 -3.84 0.07 0.00 -1.51 0.00 0.00 72.50 67.11 2kma s THR 179 CO 0.37 -0.90 1.70 -0.07 -2.21 0.00 0.00 174.62 173.51 2kma h LEU 180 N 0.21 0.64 -0.98 9.08 3.38 -1.60 -1.24 115.31 124.80 2kma h LEU 180 Ca -0.46 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.23 2kma h LEU 180 Cb 1.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2kma h LEU 180 CO 0.62 0.83 -0.33 -0.09 0.09 0.00 0.00 178.44 179.57 2kma h ARG 181 N 0.57 0.00 0.00 1.13 1.12 -1.87 -2.09 114.38 113.24 2kma h ARG 181 Ca 0.09 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.88 2kma h ARG 181 Cb 0.65 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 2kma h ARG 181 CO 0.05 0.33 -0.57 1.49 -3.11 0.00 0.00 179.97 178.15 2kma h GLU 182 N 0.00 0.00 -0.13 0.20 4.57 -1.72 -3.26 114.58 114.24 2kma h GLU 182 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2kma h GLU 182 Cb 0.86 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2kma h GLU 182 CO 0.04 0.31 -0.21 1.96 -1.18 0.00 0.00 179.01 179.94 2kma h GLN 183 N 0.00 0.37 0.00 1.92 4.20 -0.77 -3.49 115.11 117.34 2kma h GLN 183 Ca -0.03 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2kma h GLN 183 Cb 1.29 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2kma h GLN 183 CO 0.04 0.81 0.00 0.41 -0.67 0.00 0.00 178.83 179.42 2kma n GLY 184 N 0.35 0.99 3.78 3.46 0.00 -0.83 -5.10 105.19 107.84 2kma n GLY 184 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.97 3.49 0.07 1.61 -7.23 -1.04 -5.02 120.40 110.32 2kma s VAL 185 Ca 0.00 1.18 0.03 0.00 -1.81 0.00 0.00 61.98 61.37 2kma s VAL 185 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 2kma s VAL 185 CO 0.00 0.04 0.09 -1.61 -0.31 0.00 0.00 175.10 173.31 2kma s GLU 186 N -2.43 2.95 0.41 4.82 0.41 -1.26 -4.93 118.70 118.67 2kma s GLU 186 Ca 0.58 -0.65 0.28 0.00 -0.41 0.00 0.00 54.97 54.77 2kma s GLU 186 Cb -0.25 -2.77 1.06 0.00 -1.78 0.00 0.00 34.13 30.40 2kma s GLU 186 CO 0.32 0.58 1.83 0.93 -0.49 0.00 0.00 175.26 178.42 2kma h GLU 187 N 3.33 0.00 -0.00 1.61 5.08 -1.97 -2.51 114.58 120.10 2kma h GLU 187 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2kma h GLU 187 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2kma h GLU 187 CO 0.67 0.00 -0.50 -2.39 -1.00 0.00 0.00 179.01 175.79 2kma n HIS 188 N -2.74 0.00 -2.37 4.33 1.44 -1.26 -4.65 115.22 109.97 2kma n HIS 188 Ca 0.02 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.31 2kma n HIS 188 Cb 0.32 -0.14 -0.03 0.00 0.12 0.00 0.00 29.99 30.26 2kma n HIS 188 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2kma s GLU 189 N -2.78 4.46 -0.26 -1.40 0.41 -0.95 -4.97 118.70 113.21 2kma s GLU 189 Ca 0.16 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.29 2kma s GLU 189 Cb 0.18 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 2kma s GLU 189 CO 0.66 -0.17 1.16 0.99 -0.49 0.00 0.00 175.26 177.41 2kma s THR 190 N 0.36 4.42 -0.04 3.63 2.01 -1.24 -4.40 115.64 120.38 2kma s THR 190 Ca 0.56 1.67 0.04 0.00 0.31 0.00 0.00 61.69 64.26 2kma s THR 190 Cb -0.32 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 2kma s THR 190 CO 0.34 -0.33 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.03 2kma s LEU 191 N 3.67 2.72 0.21 4.42 1.43 0.01 -2.23 118.68 128.90 2kma s LEU 191 Ca 0.50 -0.23 0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2kma s LEU 191 Cb -0.16 -1.56 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2kma s LEU 191 CO 0.15 0.33 -0.19 -0.76 0.23 0.00 0.00 176.35 176.11 2kma s LEU 192 N -0.83 2.50 0.03 1.79 1.43 0.15 -1.43 118.68 122.32 2kma s LEU 192 Ca 0.12 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 2kma s LEU 192 Cb -0.11 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2kma s LEU 192 CO 0.01 -0.00 -0.02 -1.48 0.23 0.00 0.00 176.35 175.09 2kma s LEU 193 N -3.01 3.39 -0.06 1.79 0.05 -1.19 0.09 118.68 119.75 2kma s LEU 193 Ca 0.22 -0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.32 2kma s LEU 193 Cb -0.05 -2.01 0.00 0.00 -2.05 0.00 0.00 46.19 42.08 2kma s LEU 193 CO 0.10 0.24 -0.15 -0.13 -0.55 0.00 0.00 176.35 175.86 2kma s ARG 194 N -1.78 1.86 -0.62 1.48 1.81 0.05 -4.60 118.95 117.16 2kma s ARG 194 Ca 0.21 -0.54 -0.27 0.00 -1.72 0.00 0.00 55.73 53.40 2kma s ARG 194 Cb -0.11 -1.54 0.02 0.00 -0.45 0.00 0.00 34.95 32.86 2kma s ARG 194 CO 0.12 0.13 1.41 0.50 -0.68 0.00 0.00 175.30 176.78 2kma s ARG 195 N 0.36 3.22 0.05 3.54 3.52 -1.26 -0.67 118.95 127.70 2kma s ARG 195 Ca -0.10 0.27 0.12 0.00 -0.13 0.00 0.00 55.73 55.89 2kma s ARG 195 Cb -0.14 -4.16 -0.18 0.00 -1.56 0.00 0.00 34.95 28.91 2kma s ARG 195 CO 0.04 -2.06 0.92 -0.22 -0.81 0.00 0.00 175.30 173.16 2kma h LYS 196 N 11.08 0.00 -6.30 5.12 3.64 -1.06 -3.45 116.57 125.60 2kma h LYS 196 Ca -0.27 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.43 2kma h LYS 196 Cb 1.09 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.71 2kma h LYS 196 CO 1.21 0.57 -0.73 -0.06 -2.27 0.00 0.00 179.45 178.17 2kma s PHE 197 N -2.73 2.82 -2.22 1.91 0.08 -0.97 -5.01 117.98 111.87 2kma s PHE 197 Ca -0.02 -0.08 0.21 0.00 0.12 0.00 0.00 56.93 57.16 2kma s PHE 197 Cb 0.09 -1.62 0.38 0.00 -0.57 0.00 0.00 43.02 41.30 2kma s PHE 197 CO 0.81 0.31 1.33 1.19 -0.10 0.00 0.00 175.22 178.77 2kma n PHE 198 N 1.85 0.44 -2.34 0.36 3.72 -1.26 -4.90 117.46 115.34 2kma n PHE 198 Ca -0.16 -0.25 -0.03 0.00 -0.05 0.00 0.00 57.45 56.95 2kma n PHE 198 Cb 0.52 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 2kma n PHE 198 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2kma n TYR 199 N 1.32 -3.26 -1.02 1.38 9.36 -1.26 -4.83 117.16 118.85 2kma n TYR 199 Ca 0.17 1.78 -0.13 0.00 3.32 0.00 0.00 57.90 63.04 2kma n TYR 199 Cb 0.56 -3.34 -0.12 0.00 -0.63 0.00 0.00 39.34 35.81 2kma n TYR 199 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2kma n SER 200 N 1.05 5.54 0.00 2.98 2.88 -1.26 -4.68 113.62 120.13 2kma n SER 200 Ca -0.23 -2.63 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 2kma n SER 200 Cb 0.35 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2kma n SER 200 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kma n ASP 201 N 1.96 0.00 0.00 -3.46 2.03 -1.26 -5.34 116.55 110.48 2kma n ASP 201 Ca 0.38 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.69 2kma n ASP 201 Cb 0.78 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 2kma n ASP 201 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95