#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi n LYS 2 N 0.00 0.00 0.08 2.89 -0.00 -1.26 -4.93 118.16 114.93 2kmi n LYS 2 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2kmi n LYS 2 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 2kmi n LYS 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kmi h LYS 3 N 0.00 0.00 -0.75 -1.58 1.57 -2.03 -3.43 116.57 110.35 2kmi h LYS 3 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2kmi h LYS 3 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.15 2kmi h LYS 3 CO 0.00 0.47 -0.44 0.36 -0.57 0.00 0.00 179.45 179.27 2kmi n LYS 4 N -3.09 0.52 -1.73 3.15 2.85 -1.26 -4.90 118.16 113.70 2kmi n LYS 4 Ca -0.04 -1.83 -0.33 0.00 -1.05 0.00 0.00 58.31 55.06 2kmi n LYS 4 Cb 0.82 -1.27 -0.02 0.00 -0.65 0.00 0.00 35.03 33.91 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kmi n ASP 5 N 2.69 7.00 -3.50 -5.58 -0.08 -1.23 -4.85 116.55 110.99 2kmi n ASP 5 Ca 0.16 -3.37 -0.31 0.00 -1.51 0.00 0.00 54.79 49.77 2kmi n ASP 5 Cb 0.58 -1.21 0.27 0.00 2.34 0.00 0.00 41.12 43.10 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmi s ILE 6 N -2.83 1.31 -0.50 5.18 -4.36 -1.26 -4.56 121.20 114.18 2kmi s ILE 6 Ca 0.55 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.99 2kmi s ILE 6 Cb 0.35 -2.25 0.40 0.00 1.25 0.00 0.00 42.46 42.21 2kmi s ILE 6 CO -0.24 0.00 1.18 -1.14 0.24 0.00 0.00 174.94 174.98 2kmi n ARG 7 N -5.33 3.38 -1.98 0.37 3.00 -1.26 -4.86 116.66 109.98 2kmi n ARG 7 Ca 0.14 -4.47 -0.17 0.00 -0.00 0.00 0.00 57.85 53.34 2kmi n ARG 7 Cb 0.60 -2.25 -0.04 0.00 0.00 0.00 0.00 32.46 30.77 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kmi n ASP 8 N -0.45 -5.10 -2.92 6.15 8.00 -1.26 -3.91 116.55 117.06 2kmi n ASP 8 Ca 0.39 0.18 -0.02 0.00 0.71 0.00 0.00 54.79 56.05 2kmi n ASP 8 Cb 0.59 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kmi n TYR 9 N -3.36 -2.59 0.11 1.24 4.01 -1.26 -4.96 117.16 110.35 2kmi n TYR 9 Ca -0.19 1.13 0.00 0.00 -0.16 0.00 0.00 57.90 58.68 2kmi n TYR 9 Cb 0.62 -2.93 0.00 0.00 -0.31 0.00 0.00 39.34 36.72 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kmi n ASN 10 N 0.79 -1.98 -2.70 7.72 2.85 -1.25 -5.03 115.26 115.66 2kmi n ASN 10 Ca 0.00 0.49 -0.08 0.00 -0.11 0.00 0.00 54.58 54.88 2kmi n ASN 10 Cb 0.23 2.05 0.10 0.00 1.24 0.00 0.00 39.78 43.40 2kmi n ASN 10 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2kmi n ASP 11 N -2.91 -1.09 -0.12 1.20 8.00 -1.26 -4.97 116.55 115.40 2kmi n ASP 11 Ca 0.00 -2.58 -0.13 0.00 0.71 0.00 0.00 54.79 52.79 2kmi n ASP 11 Cb 0.00 0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 41.74 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi h ALA 12 N 2.29 0.56 -1.01 2.24 0.00 -1.96 -3.11 119.26 118.28 2kmi h ALA 12 Ca -0.22 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.28 2kmi h ALA 12 Cb 1.26 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2kmi h ALA 12 CO 0.08 0.66 0.66 0.38 0.00 0.00 0.00 179.25 181.03 2kmi h ASP 13 N 0.75 1.08 -0.57 0.00 3.04 -1.93 -0.97 116.42 117.82 2kmi h ASP 13 Ca 0.06 -0.00 0.16 0.00 -3.24 0.00 0.00 57.03 54.01 2kmi h ASP 13 Cb 0.97 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 39.00 2kmi h ASP 13 CO 0.09 0.72 0.44 -0.03 -2.04 0.00 0.00 179.24 178.42 2kmi h MET 14 N 1.24 0.00 -0.01 4.15 4.05 -1.72 0.24 114.93 122.89 2kmi h MET 14 Ca 0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 2kmi h MET 14 Cb 0.06 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2kmi h MET 14 CO -0.14 0.00 0.04 0.00 0.23 0.00 0.00 176.91 177.04 2kmi h ALA 15 N 1.65 1.15 -0.25 0.39 0.00 -1.26 -1.55 119.26 119.38 2kmi h ALA 15 Ca 0.27 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2kmi h ALA 15 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kmi h ALA 15 CO -0.00 -0.05 0.27 -0.09 0.00 0.00 0.00 179.25 179.38 2kmi h ARG 16 N 0.00 0.00 -0.65 0.00 2.43 -0.65 -0.67 114.38 114.83 2kmi h ARG 16 Ca 0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 2kmi h ARG 16 Cb 0.09 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2kmi h ARG 16 CO -0.00 0.00 0.53 1.37 -1.51 0.00 0.00 179.97 180.36 2kmi h LEU 17 N 0.00 0.00 -1.44 3.80 8.10 -1.48 0.29 115.31 124.58 2kmi h LEU 17 Ca 0.12 0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.32 2kmi h LEU 17 Cb 0.66 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.81 2kmi h LEU 17 CO -0.00 0.00 0.61 -0.07 -4.11 0.00 0.00 178.44 174.87 2kmi h LEU 18 N 0.00 0.45 -1.97 0.17 4.07 -1.36 0.20 115.31 116.87 2kmi h LEU 18 Ca 0.31 0.05 0.25 0.00 0.08 0.00 0.00 57.88 58.57 2kmi h LEU 18 Cb 1.37 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 43.05 2kmi h LEU 18 CO -0.00 0.16 0.62 -0.08 -1.08 0.00 0.00 178.44 178.06 2kmi h GLU 19 N 0.44 0.02 -0.64 1.13 4.81 -1.15 0.19 114.58 119.38 2kmi h GLU 19 Ca 0.50 -0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.91 2kmi h GLU 19 Cb 1.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 2kmi h GLU 19 CO -0.21 0.02 0.50 0.37 -0.73 0.00 0.00 179.01 178.95 2kmi h GLN 20 N 0.02 0.00 -0.60 1.92 -0.00 -0.68 0.11 115.11 115.87 2kmi h GLN 20 Ca 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.97 2kmi h GLN 20 Cb 1.63 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.09 2kmi h GLN 20 CO -0.02 0.00 -0.02 2.35 0.00 0.00 0.00 178.83 181.15 2kmi h TRP 21 N 0.00 1.18 0.48 3.99 2.91 -0.80 -3.25 115.95 120.45 2kmi h TRP 21 Ca 0.30 -0.21 -0.02 0.00 1.13 0.00 0.00 58.89 60.10 2kmi h TRP 21 Cb 1.30 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.63 2kmi h TRP 21 CO 0.00 1.04 -0.42 0.93 -1.03 0.00 0.00 178.44 178.96 2kmi h GLU 22 N 0.98 -0.85 -1.78 2.65 4.39 -0.92 -3.45 114.58 115.59 2kmi h GLU 22 Ca 0.17 0.06 -0.37 0.00 0.34 0.00 0.00 59.36 59.55 2kmi h GLU 22 Cb 0.58 0.19 -0.11 0.00 -0.10 0.00 0.00 28.75 29.31 2kmi h GLU 22 CO 0.03 -0.56 -0.38 1.17 -1.16 0.00 0.00 179.01 178.11 2kmi n LYS 23 N -4.98 -1.54 0.27 2.33 4.81 -1.20 -4.78 118.16 113.06 2kmi n LYS 23 Ca -0.11 1.03 0.14 0.00 -0.87 0.00 0.00 58.31 58.50 2kmi n LYS 23 Cb 0.39 -5.46 0.74 0.00 0.02 0.00 0.00 35.03 30.72 2kmi n LYS 23 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kmi h ASP 24 N 0.00 0.00 -6.33 3.14 5.19 -1.85 -3.47 116.42 113.10 2kmi h ASP 24 Ca -0.40 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.54 2kmi h ASP 24 Cb 1.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 2kmi h ASP 24 CO 0.54 0.10 -0.78 -0.67 -3.12 0.00 0.00 179.24 175.31 2kmi n ASP 25 N -3.47 -3.96 -0.07 6.45 2.03 -1.26 -4.88 116.55 111.39 2kmi n ASP 25 Ca -0.01 -0.82 -0.11 0.00 0.52 0.00 0.00 54.79 54.37 2kmi n ASP 25 Cb 0.25 -3.75 -0.04 0.00 -0.72 0.00 0.00 41.12 36.87 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kmi h ASP 26 N -1.99 0.35 -1.38 1.67 3.32 -1.76 -3.40 116.42 113.23 2kmi h ASP 26 Ca -0.59 -0.22 -0.31 0.00 0.02 0.00 0.00 57.03 55.93 2kmi h ASP 26 Cb 1.37 -0.09 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 2kmi h ASP 26 CO 0.67 0.47 -0.67 2.30 -1.72 0.00 0.00 179.24 180.29 2kmi n ILE 27 N -4.75 -0.41 0.11 0.35 -5.35 -1.26 -4.97 119.36 103.08 2kmi n ILE 27 Ca -0.03 -1.92 0.04 0.00 -0.27 0.00 0.00 62.75 60.56 2kmi n ILE 27 Cb 0.17 0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.16 2kmi n ILE 27 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2kmi h GLU 28 N 5.07 0.00 -5.35 6.28 4.22 -1.87 -3.43 114.58 119.51 2kmi h GLU 28 Ca 0.11 0.00 -0.65 0.00 0.08 0.00 0.00 59.36 58.90 2kmi h GLU 28 Cb 1.03 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 2kmi h GLU 28 CO 0.17 0.33 0.38 -2.00 -2.18 0.00 0.00 179.01 175.71 2kmi s GLU 29 N -3.02 3.17 0.00 1.92 2.12 -1.26 -4.67 118.70 116.96 2kmi s GLU 29 Ca 0.02 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2kmi s GLU 29 Cb 0.08 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2kmi s GLU 29 CO 0.76 -1.55 0.50 0.41 -0.54 0.00 0.00 175.26 174.85 2kmi n GLY 30 N 5.23 0.18 3.81 -1.50 0.00 -1.26 -4.98 105.19 106.67 2kmi n GLY 30 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2kmi n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kmi s ASP 31 N -0.44 6.00 0.20 1.61 1.11 -1.26 -4.44 116.67 119.45 2kmi s ASP 31 Ca 0.00 1.79 0.11 0.00 0.18 0.00 0.00 52.55 54.63 2kmi s ASP 31 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2kmi s ASP 31 CO 0.00 -1.01 -0.23 -0.76 1.18 0.00 0.00 175.17 174.35 2kmi s LEU 32 N -4.29 2.45 -0.41 1.23 1.43 -1.26 -5.04 118.68 112.79 2kmi s LEU 32 Ca 0.63 -0.88 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 2kmi s LEU 32 Cb -0.15 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 2kmi s LEU 32 CO 0.34 0.08 1.74 -2.16 0.23 0.00 0.00 176.35 176.58 2kmi s PRO 33 N -2.78 3.21 0.09 1.29 0.04 -1.26 -4.99 135.00 130.60 2kmi s PRO 33 Ca 0.21 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2kmi s PRO 33 Cb -0.07 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 2kmi s PRO 33 CO 0.10 -2.01 0.21 -1.83 0.04 0.00 0.00 177.00 173.51 2kmi s GLU 34 N 5.85 3.35 0.37 4.56 -1.05 -1.26 -5.11 118.70 125.41 2kmi s GLU 34 Ca 0.73 -0.53 -0.13 0.00 -0.15 0.00 0.00 54.97 54.89 2kmi s GLU 34 Cb -0.18 -2.96 0.04 0.00 -0.44 0.00 0.00 34.13 30.58 2kmi s GLU 34 CO 0.30 0.57 0.70 -1.58 0.95 0.00 0.00 175.26 176.21 2kmi s HIS 35 N -1.57 0.33 0.24 4.83 2.46 -1.26 -5.13 115.29 115.18 2kmi s HIS 35 Ca 0.34 -0.88 -0.31 0.00 0.47 0.00 0.00 55.06 54.68 2kmi s HIS 35 Cb -0.12 0.59 -0.14 0.00 -0.13 0.00 0.00 32.58 32.78 2kmi s HIS 35 CO 0.27 -1.43 1.24 0.36 -2.47 0.00 0.00 174.74 172.71 2kmi n LYS 36 N -0.53 1.62 -4.08 2.88 2.85 -1.26 -4.93 118.16 114.71 2kmi n LYS 36 Ca -0.06 0.58 -0.22 0.00 -1.05 0.00 0.00 58.31 57.56 2kmi n LYS 36 Cb 0.60 -2.12 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kmi s ARG 37 N -0.75 2.91 0.20 -1.58 0.52 -1.26 -5.08 118.95 113.91 2kmi s ARG 37 Ca 0.67 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 2kmi s ARG 37 Cb -0.72 -2.56 -0.09 0.00 0.52 0.00 0.00 34.95 32.11 2kmi s ARG 37 CO 0.54 0.37 1.30 -1.25 0.02 0.00 0.00 175.30 176.27 2kmi s PRO 38 N -3.86 4.40 -0.45 3.54 0.04 -1.26 -4.82 135.00 132.58 2kmi s PRO 38 Ca 0.34 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.20 2kmi s PRO 38 Cb -0.08 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2kmi s PRO 38 CO 0.25 -0.23 0.72 0.45 0.04 0.00 0.00 177.00 178.23 2kmi s SER 39 N 0.27 6.37 -0.17 6.66 0.15 -1.26 -4.63 113.70 121.09 2kmi s SER 39 Ca 0.56 -0.22 -0.35 0.00 0.70 0.00 0.00 55.95 56.64 2kmi s SER 39 Cb -0.36 -2.36 0.14 0.00 -1.71 0.00 0.00 66.02 61.73 2kmi s SER 39 CO 0.39 -0.86 1.20 0.00 1.20 0.00 0.00 173.24 175.16 2kmi s ALA 40 N 3.09 -2.06 -0.06 5.45 0.00 -1.26 -5.09 121.76 121.82 2kmi s ALA 40 Ca 0.27 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 2kmi s ALA 40 Cb -0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2kmi s ALA 40 CO 0.21 -0.62 1.50 -1.25 0.00 0.00 0.00 175.76 175.60 2kmi s PRO 41 N -2.46 4.22 -0.16 0.00 0.04 -1.26 -4.83 135.00 130.55 2kmi s PRO 41 Ca 0.09 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.15 2kmi s PRO 41 Cb -0.01 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2kmi s PRO 41 CO -0.05 -0.75 -0.17 -1.50 0.04 0.00 0.00 177.00 174.58 2kmi s ILE 42 N 3.48 2.47 0.01 0.56 2.07 -1.26 -5.11 121.20 123.42 2kmi s ILE 42 Ca 0.67 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 59.08 2kmi s ILE 42 Cb -0.30 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.24 2kmi s ILE 42 CO 0.25 0.52 -0.03 1.51 -1.91 0.00 0.00 174.94 175.28 2kmi s ASP 43 N 0.93 0.36 0.21 4.50 -4.77 -1.26 -4.15 116.67 112.49 2kmi s ASP 43 Ca -0.03 -0.29 0.12 0.00 -3.30 0.00 0.00 52.55 49.04 2kmi s ASP 43 Cb -0.15 0.03 -0.02 0.00 -1.09 0.00 0.00 42.92 41.69 2kmi s ASP 43 CO -0.03 -0.13 1.39 0.15 0.70 0.00 0.00 175.17 177.26 2kmi h PHE 44 N 5.31 0.00 0.00 2.11 3.57 -1.89 -3.44 116.94 122.61 2kmi h PHE 44 Ca -0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.20 2kmi h PHE 44 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2kmi h PHE 44 CO 0.54 0.72 0.00 0.43 -2.23 0.00 0.00 178.31 177.77 2kmi n SER 45 N -3.31 0.00 -3.33 0.41 7.64 -1.26 -5.11 113.62 108.66 2kmi n SER 45 Ca 0.01 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.91 2kmi n SER 45 Cb 0.81 0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 2kmi n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kmi s LYS 46 N -1.31 0.21 0.76 1.43 2.20 -1.26 -5.16 119.74 116.61 2kmi s LYS 46 Ca 0.00 0.52 -0.16 0.00 -0.36 0.00 0.00 55.97 55.97 2kmi s LYS 46 Cb 0.00 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2kmi s LYS 46 CO 0.00 -0.07 0.56 1.47 -0.36 0.00 0.00 175.35 176.95 2kmi n LEU 47 N 4.81 1.00 -2.75 5.43 -0.00 -1.26 -4.96 117.00 119.27 2kmi n LEU 47 Ca -0.08 0.56 -0.06 0.00 -0.00 0.00 0.00 56.01 56.42 2kmi n LEU 47 Cb 0.54 -1.24 0.04 0.00 -0.00 0.00 0.00 43.42 42.76 2kmi n LEU 47 CO -0.04 -3.06 0.20 -0.67 -0.00 0.00 0.00 177.39 173.81 2kmi n ASP 48 N -0.64 -2.98 -0.10 1.45 2.03 -1.24 -5.01 116.55 110.06 2kmi n ASP 48 Ca 0.10 -3.07 -0.12 0.00 0.52 0.00 0.00 54.79 52.22 2kmi n ASP 48 Cb 0.50 1.74 0.01 0.00 -0.72 0.00 0.00 41.12 42.65 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kmi h PRO 49 N 4.28 0.86 0.00 -0.67 0.13 -1.87 -3.47 132.00 131.27 2kmi h PRO 49 Ca -0.08 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2kmi h PRO 49 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kmi h PRO 49 CO 0.20 1.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.47 2kmi n GLY 50 N 0.10 1.52 3.61 1.56 0.00 -1.26 -4.95 105.19 105.78 2kmi n GLY 50 Ca -0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 2kmi n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 51 N 0.00 -0.59 -1.18 1.61 5.02 -1.26 -4.99 118.16 116.77 2kmi n LYS 51 Ca 0.00 -0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 2kmi n LYS 51 Cb 0.00 -2.28 0.16 0.00 -0.02 0.00 0.00 35.03 32.89 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kmi s PRO 52 N -4.46 0.87 0.41 1.97 0.04 -1.26 -4.95 135.00 127.62 2kmi s PRO 52 Ca 0.65 0.69 0.20 0.00 0.04 0.00 0.00 61.00 62.58 2kmi s PRO 52 Cb -0.23 -1.77 0.86 0.00 0.04 0.00 0.00 34.50 33.40 2kmi s PRO 52 CO 0.60 -2.47 1.82 1.05 0.04 0.00 0.00 177.00 178.04 2kmi h GLU 53 N -1.71 0.00 -0.33 4.56 4.11 -1.99 -3.14 114.58 116.07 2kmi h GLU 53 Ca -0.52 0.00 0.06 0.00 0.07 0.00 0.00 59.36 58.98 2kmi h GLU 53 Cb 1.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2kmi h GLU 53 CO 0.56 0.31 -0.06 0.77 0.07 0.00 0.00 179.01 180.66 2kmi h SER 54 N 0.00 -0.26 -0.40 3.06 0.02 -2.01 -1.74 113.55 112.22 2kmi h SER 54 Ca -0.00 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2kmi h SER 54 Cb 0.74 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2kmi h SER 54 CO 0.04 -0.09 -0.15 0.40 -1.14 0.00 0.00 176.83 175.90 2kmi h ILE 55 N 0.03 1.28 -0.76 3.27 1.08 -1.93 -2.88 117.51 117.59 2kmi h ILE 55 Ca 0.16 -1.26 0.20 0.00 -0.39 0.00 0.00 64.86 63.57 2kmi h ILE 55 Cb 0.24 1.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.21 2kmi h ILE 55 CO -0.32 0.42 0.53 0.25 -0.69 0.00 0.00 178.15 178.34 2kmi h LEU 56 N 0.61 0.12 -2.14 1.44 6.46 -1.37 0.22 115.31 120.66 2kmi h LEU 56 Ca 0.09 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 2kmi h LEU 56 Cb 0.69 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 2kmi h LEU 56 CO 0.05 0.05 0.28 0.50 -0.62 0.00 0.00 178.44 178.70 2kmi h LYS 57 N 0.13 0.00 -0.84 1.25 3.64 -1.11 -0.77 116.57 118.87 2kmi h LYS 57 Ca 0.37 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.97 2kmi h LYS 57 Cb 1.27 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2kmi h LYS 57 CO -0.05 0.00 0.58 0.00 -2.27 0.00 0.00 179.45 177.71 2kmi h MET 58 N 0.00 0.18 -1.42 1.90 -0.00 -0.71 -3.42 114.93 111.46 2kmi h MET 58 Ca 0.13 -0.01 0.12 0.00 -0.00 0.00 0.00 59.70 59.94 2kmi h MET 58 Cb 0.68 -0.04 -0.29 0.00 -0.00 0.00 0.00 31.60 31.95 2kmi h MET 58 CO -0.00 0.12 0.52 -0.08 -0.00 0.00 0.00 176.91 177.47 2kmi s THR 59 N -5.19 0.00 -0.05 -0.10 -1.32 -0.30 -5.17 115.64 103.51 2kmi s THR 59 Ca -0.06 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.38 2kmi s THR 59 Cb 0.22 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.23 2kmi s THR 59 CO 0.77 0.00 0.13 -0.54 -2.21 0.00 0.00 174.62 172.77 2kmi s LYS 60 N 0.85 0.13 -0.04 7.08 1.02 -1.26 -4.87 119.74 122.65 2kmi s LYS 60 Ca -0.04 0.23 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 2kmi s LYS 60 Cb -0.04 -0.00 -0.01 0.00 -0.52 0.00 0.00 37.83 37.26 2kmi s LYS 60 CO -0.12 -0.06 -0.06 1.63 -0.92 0.00 0.00 175.35 175.82 2kmi n LYS 61 N 3.37 0.12 -1.42 1.68 4.76 -1.26 -5.07 118.16 120.33 2kmi n LYS 61 Ca -0.17 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2kmi n LYS 61 Cb 0.57 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kmi n GLY 62 N 1.63 0.91 3.26 0.72 0.00 -1.26 -4.94 105.19 105.50 2kmi n GLY 62 Ca -0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2kmi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 63 N -2.95 0.95 0.13 1.61 1.02 -1.13 -3.87 119.74 115.50 2kmi s LYS 63 Ca 0.00 -0.85 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 2kmi s LYS 63 Cb 0.00 0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 37.64 2kmi s LYS 63 CO 0.00 -0.34 0.56 -0.08 -0.92 0.00 0.00 175.35 174.58 2kmi s THR 64 N -3.84 4.82 -0.21 2.17 -1.32 0.72 -3.76 115.64 114.22 2kmi s THR 64 Ca 0.04 0.94 -0.02 0.00 -1.21 0.00 0.00 61.69 61.44 2kmi s THR 64 Cb 0.04 -3.77 0.01 0.00 -1.51 0.00 0.00 72.50 67.26 2kmi s THR 64 CO -0.11 0.31 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.29 2kmi s LEU 65 N -1.77 2.67 -0.30 9.08 0.20 -1.26 -3.92 118.68 123.38 2kmi s LEU 65 Ca 0.36 -0.54 -0.09 0.00 0.69 0.00 0.00 54.13 54.55 2kmi s LEU 65 Cb -0.16 -1.64 0.17 0.00 -0.43 0.00 0.00 46.19 44.13 2kmi s LEU 65 CO 0.19 -0.03 0.82 -0.32 -0.29 0.00 0.00 176.35 176.72 2kmi s MET 66 N 1.40 0.41 -0.11 1.98 1.75 -1.19 -4.14 119.30 119.40 2kmi s MET 66 Ca 0.05 0.87 -0.20 0.00 -1.25 0.00 0.00 55.69 55.16 2kmi s MET 66 Cb -0.14 0.51 0.05 0.00 2.84 0.00 0.00 34.83 38.08 2kmi s MET 66 CO -0.07 -0.30 0.49 1.41 -0.65 0.00 0.00 175.02 175.91 2kmi s MET 67 N 2.77 0.72 -0.09 4.11 0.00 -1.19 -0.92 119.30 124.71 2kmi s MET 67 Ca 0.04 0.35 -0.03 0.00 0.00 0.00 0.00 55.69 56.05 2kmi s MET 67 Cb -0.11 0.34 0.05 0.00 0.00 0.00 0.00 34.83 35.11 2kmi s MET 67 CO -0.17 -0.16 0.17 -0.06 0.00 0.00 0.00 175.02 174.79 2kmi s PHE 68 N -0.52 -0.19 0.01 4.11 0.08 -1.12 -3.13 117.98 117.23 2kmi s PHE 68 Ca -0.06 0.62 -0.06 0.00 0.12 0.00 0.00 56.93 57.55 2kmi s PHE 68 Cb -0.03 -0.25 -0.00 0.00 -0.57 0.00 0.00 43.02 42.16 2kmi s PHE 68 CO 0.04 -0.28 0.10 0.08 -0.10 0.00 0.00 175.22 175.06 2kmi s VAL 69 N 2.30 0.10 -0.43 -0.44 1.01 -1.08 -0.08 120.40 121.78 2kmi s VAL 69 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2kmi s VAL 69 Cb -0.12 -0.47 0.21 0.00 0.00 0.00 0.00 36.38 36.00 2kmi s VAL 69 CO -0.06 -0.43 0.94 1.07 0.00 0.00 0.00 175.10 176.62 2kmi n THR 70 N 1.37 0.00 -3.61 3.92 5.66 -0.81 -1.41 114.28 119.40 2kmi n THR 70 Ca -0.22 -0.66 -0.01 0.00 -3.05 0.00 0.00 64.05 60.10 2kmi n THR 70 Cb 0.56 0.87 -0.01 0.00 -1.55 0.00 0.00 70.33 70.19 2kmi n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kmi s VAL 71 N 0.85 0.00 0.06 1.08 0.11 -1.17 -0.68 120.40 120.64 2kmi s VAL 71 Ca 0.27 -0.11 -0.22 0.00 -2.93 0.00 0.00 61.98 58.98 2kmi s VAL 71 Cb 0.09 -1.52 -0.06 0.00 -1.53 0.00 0.00 36.38 33.36 2kmi s VAL 71 CO -0.09 0.00 0.67 -0.94 -3.33 0.00 0.00 175.10 171.41 2kmi s SER 72 N -2.59 7.14 0.00 3.54 1.04 -1.26 -3.29 113.70 118.28 2kmi s SER 72 Ca 0.12 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2kmi s SER 72 Cb 0.02 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2kmi s SER 72 CO -0.04 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2kmi n GLY 73 N 2.10 -0.73 2.68 7.32 0.00 -1.26 -3.38 105.19 111.92 2kmi n GLY 73 Ca -0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 2kmi n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kmi n ASN 74 N 0.00 -1.69 -4.55 1.61 5.03 -1.24 -4.32 115.26 110.11 2kmi n ASN 74 Ca 0.00 -1.78 -0.34 0.00 0.87 0.00 0.00 54.58 53.33 2kmi n ASN 74 Cb 0.00 0.92 -0.04 0.00 -1.02 0.00 0.00 39.78 39.65 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kmi s PRO 75 N 0.51 2.60 -0.39 3.52 0.04 -1.26 -3.75 135.00 136.26 2kmi s PRO 75 Ca 0.26 0.27 0.10 0.00 0.04 0.00 0.00 61.00 61.68 2kmi s PRO 75 Cb 0.17 -4.64 0.39 0.00 0.04 0.00 0.00 34.50 30.46 2kmi s PRO 75 CO -0.11 -2.98 1.22 0.25 0.04 0.00 0.00 177.00 175.43 2kmi n THR 76 N 7.46 0.18 0.03 1.26 -2.24 -1.26 -4.96 114.28 114.75 2kmi n THR 76 Ca 0.28 -1.93 0.09 0.00 -2.27 0.00 0.00 64.05 60.22 2kmi n THR 76 Cb 0.50 0.95 0.52 0.00 -2.10 0.00 0.00 70.33 70.21 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kmi h GLU 77 N 2.37 0.32 -0.28 -0.78 9.09 -1.85 -1.19 114.58 122.27 2kmi h GLU 77 Ca -0.20 -0.02 -0.15 0.00 0.05 0.00 0.00 59.36 59.03 2kmi h GLU 77 Cb 1.24 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 2kmi h GLU 77 CO 0.09 0.21 -0.44 -0.22 0.05 0.00 0.00 179.01 178.70 2kmi h LYS 78 N 0.33 0.72 -0.41 1.06 1.63 -1.99 -3.12 116.57 114.80 2kmi h LYS 78 Ca 0.17 -0.40 -0.14 0.00 -0.85 0.00 0.00 60.65 59.43 2kmi h LYS 78 Cb 0.25 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2kmi h LYS 78 CO -0.04 1.02 -0.28 1.49 -3.45 0.00 0.00 179.45 178.19 2kmi h GLU 79 N 0.58 0.89 -0.62 1.90 4.57 -1.66 -3.11 114.58 117.13 2kmi h GLU 79 Ca 0.04 -0.40 0.08 0.00 -1.18 0.00 0.00 59.36 57.89 2kmi h GLU 79 Cb 1.00 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 2kmi h GLU 79 CO 0.09 1.05 0.28 1.79 -1.18 0.00 0.00 179.01 181.05 2kmi h THR 80 N 0.75 0.85 -0.24 0.32 1.35 -1.26 -2.19 112.91 112.49 2kmi h THR 80 Ca 0.09 -0.17 0.02 0.00 -0.55 0.00 0.00 66.41 65.79 2kmi h THR 80 Cb 0.84 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 2kmi h THR 80 CO 0.07 0.09 0.10 -0.08 -0.25 0.00 0.00 175.52 175.46 2kmi h GLU 81 N 0.51 0.22 -0.62 4.72 4.22 -1.49 -1.41 114.58 120.74 2kmi h GLU 81 Ca 0.30 -0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.91 2kmi h GLU 81 Cb 0.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2kmi h GLU 81 CO -0.25 0.15 0.53 1.49 -2.18 0.00 0.00 179.01 178.75 2kmi h GLU 82 N 0.23 0.00 -0.99 1.92 4.81 -1.35 0.71 114.58 119.91 2kmi h GLU 82 Ca 0.10 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2kmi h GLU 82 Cb 0.05 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2kmi h GLU 82 CO -0.09 0.00 0.64 0.82 -0.73 0.00 0.00 179.01 179.65 2kmi h ILE 83 N 0.00 1.11 -1.01 2.32 1.08 -1.01 -1.49 117.51 118.51 2kmi h ILE 83 Ca 0.30 -0.41 0.26 0.00 -0.39 0.00 0.00 64.86 64.62 2kmi h ILE 83 Cb 1.35 -0.18 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 2kmi h ILE 83 CO -0.00 0.22 0.68 0.00 -0.69 0.00 0.00 178.15 178.35 2kmi h THR 84 N 1.18 0.54 0.33 -0.27 1.03 -0.94 -0.89 112.91 113.89 2kmi h THR 84 Ca 0.42 -0.09 -0.02 0.00 -0.01 0.00 0.00 66.41 66.71 2kmi h THR 84 Cb 0.12 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 2kmi h THR 84 CO -0.15 0.05 -0.16 0.28 -0.01 0.00 0.00 175.52 175.53 2kmi h SER 85 N 0.27 -0.38 -0.87 0.00 0.02 -1.41 -3.19 113.55 107.98 2kmi h SER 85 Ca 0.53 -0.13 0.25 0.00 -0.84 0.00 0.00 61.79 61.60 2kmi h SER 85 Cb 1.59 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 64.19 2kmi h SER 85 CO -0.17 0.09 0.62 -0.07 -1.14 0.00 0.00 176.83 176.16 2kmi h LEU 86 N -1.01 0.03 -1.31 5.07 3.38 -1.29 0.13 115.31 120.30 2kmi h LEU 86 Ca -0.05 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2kmi h LEU 86 Cb 0.48 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2kmi h LEU 86 CO 0.07 0.01 0.56 -0.25 0.09 0.00 0.00 178.44 178.93 2kmi h TRP 87 N 0.03 0.79 -0.81 1.13 2.91 -1.18 -1.05 115.95 117.78 2kmi h TRP 87 Ca 0.42 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.61 2kmi h TRP 87 Cb 1.62 -0.25 -0.09 0.00 -0.51 0.00 0.00 29.16 29.93 2kmi h TRP 87 CO -0.00 0.30 0.38 0.37 -1.03 0.00 0.00 178.44 178.46 2kmi h GLN 88 N 0.67 0.53 -0.36 2.65 5.75 -0.84 -1.54 115.11 121.98 2kmi h GLN 88 Ca 0.44 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.88 2kmi h GLN 88 Cb 0.71 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2kmi h GLN 88 CO -0.19 0.35 0.14 0.78 -2.65 0.00 0.00 178.83 177.26 2kmi h GLY 89 N 0.54 0.58 0.03 2.39 0.00 -1.24 -2.97 103.07 102.40 2kmi h GLY 89 Ca 0.44 -0.31 0.15 0.00 0.00 0.00 0.00 47.33 47.61 2kmi h GLY 89 CO -0.38 0.29 0.21 1.48 0.00 0.00 0.00 176.54 178.14 2kmi h SER 90 N 0.43 0.09 -0.89 0.19 4.64 -1.23 0.29 113.55 117.07 2kmi h SER 90 Ca 0.12 0.13 0.19 0.00 -0.47 0.00 0.00 61.79 61.76 2kmi h SER 90 Cb 0.19 0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 62.32 2kmi h SER 90 CO -0.01 0.01 0.44 0.25 -0.87 0.00 0.00 176.83 176.65 2kmi h LEU 91 N 0.32 0.47 -0.04 5.97 5.85 -1.32 0.31 115.31 126.88 2kmi h LEU 91 Ca 0.40 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.28 2kmi h LEU 91 Cb 0.65 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2kmi h LEU 91 CO -0.46 0.12 -0.40 0.15 -0.34 0.00 0.00 178.44 177.50 2kmi h PHE 92 N 0.53 -1.15 0.43 1.25 3.57 -0.98 -3.19 116.94 117.41 2kmi h PHE 92 Ca 0.53 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 62.05 2kmi h PHE 92 Cb 0.90 0.51 0.00 0.00 2.79 0.00 0.00 35.95 40.15 2kmi h PHE 92 CO -0.10 -0.48 -0.21 -0.97 -2.23 0.00 0.00 178.31 174.33 2kmi h ASN 93 N -0.54 -0.49 -4.14 0.41 -0.73 -1.31 -3.28 115.58 105.50 2kmi h ASN 93 Ca 0.06 -0.04 -0.39 0.00 1.87 0.00 0.00 56.30 57.80 2kmi h ASN 93 Cb 0.63 0.13 -0.27 0.00 0.27 0.00 0.00 38.32 39.08 2kmi h ASN 93 CO -0.33 -0.06 -0.78 0.00 -0.37 0.00 0.00 177.43 175.89 2kmi s ALA 94 N -4.16 0.78 -0.80 1.57 0.00 0.10 -4.49 121.76 114.76 2kmi s ALA 94 Ca -0.10 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2kmi s ALA 94 Cb 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 2kmi s ALA 94 CO 0.32 0.17 2.31 0.54 0.00 0.00 0.00 175.76 179.09 2kmi s ASN 95 N -0.48 4.18 -0.23 0.00 2.20 -1.25 -2.90 114.94 116.46 2kmi s ASN 95 Ca 0.02 -0.07 -0.09 0.00 -0.94 0.00 0.00 52.86 51.78 2kmi s ASN 95 Cb -0.05 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.67 2kmi s ASN 95 CO -0.00 -3.60 0.20 -1.22 -2.94 0.00 0.00 177.10 169.54 2kmi n TYR 96 N 17.55 -2.20 -3.00 1.54 4.01 -1.26 -4.91 117.16 128.88 2kmi n TYR 96 Ca 0.45 0.95 -0.34 0.00 -0.16 0.00 0.00 57.90 58.79 2kmi n TYR 96 Cb 0.44 -2.51 -0.02 0.00 -0.31 0.00 0.00 39.34 36.94 2kmi n TYR 96 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2kmi n ASP 97 N 0.64 5.50 -4.15 7.72 -0.08 -1.26 -5.01 116.55 119.91 2kmi n ASP 97 Ca 0.00 -3.57 -0.21 0.00 -1.51 0.00 0.00 54.79 49.51 2kmi n ASP 97 Cb 0.37 -0.90 -0.13 0.00 2.34 0.00 0.00 41.12 42.79 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2kmi s VAL 98 N -3.58 1.15 -0.02 5.18 -7.23 -1.26 -2.78 120.40 111.86 2kmi s VAL 98 Ca 0.40 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.63 2kmi s VAL 98 Cb 0.17 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 2kmi s VAL 98 CO -0.05 0.04 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.56 2kmi s GLN 99 N -1.07 1.16 -0.01 4.82 1.11 0.84 -4.79 119.66 121.72 2kmi s GLN 99 Ca 0.02 -0.45 0.04 0.00 0.01 0.00 0.00 55.36 54.98 2kmi s GLN 99 Cb -0.08 -1.09 -0.01 0.00 -1.01 0.00 0.00 33.01 30.83 2kmi s GLN 99 CO 0.01 0.23 -0.13 0.50 0.01 0.00 0.00 175.29 175.91 2kmi s ARG 100 N -0.11 1.06 -0.14 2.91 3.52 -1.26 -0.39 118.95 124.54 2kmi s ARG 100 Ca 0.01 -0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2kmi s ARG 100 Cb -0.07 -1.02 0.04 0.00 -1.56 0.00 0.00 34.95 32.34 2kmi s ARG 100 CO 0.00 0.28 0.36 0.12 -0.81 0.00 0.00 175.30 175.25 2kmi s PHE 101 N -0.33 -0.44 -0.02 5.12 5.36 -0.82 -3.57 117.98 123.28 2kmi s PHE 101 Ca 0.05 1.03 0.04 0.00 -0.96 0.00 0.00 56.93 57.08 2kmi s PHE 101 Cb -0.05 0.16 -0.01 0.00 -0.34 0.00 0.00 43.02 42.78 2kmi s PHE 101 CO -0.00 -0.23 -0.13 0.96 -1.46 0.00 0.00 175.22 174.36 2kmi s ILE 102 N 0.59 1.02 -0.15 3.12 -4.36 -1.26 -0.50 121.20 119.66 2kmi s ILE 102 Ca -0.03 -0.53 -0.08 0.00 -0.26 0.00 0.00 60.65 59.75 2kmi s ILE 102 Cb -0.05 -0.87 0.06 0.00 1.25 0.00 0.00 42.46 42.85 2kmi s ILE 102 CO -0.04 0.30 0.36 -0.69 0.24 0.00 0.00 174.94 175.11 2kmi s VAL 103 N -0.15 -0.04 0.00 8.37 1.01 -0.84 -5.01 120.40 123.74 2kmi s VAL 103 Ca 0.02 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2kmi s VAL 103 Cb -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2kmi s VAL 103 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 2kmi n GLY 104 N 4.27 2.47 0.87 4.51 0.00 -1.26 -2.53 105.19 113.52 2kmi n GLY 104 Ca -0.24 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.57 2kmi n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kmi n SER 105 N 6.50 2.94 -4.20 1.61 7.64 -1.26 -4.93 113.62 121.92 2kmi n SER 105 Ca 0.00 -1.86 -0.27 0.00 1.01 0.00 0.00 58.87 57.74 2kmi n SER 105 Cb 0.00 -0.15 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kmi s ASP 106 N -1.33 2.43 0.07 6.43 1.47 -1.05 -4.32 116.67 120.37 2kmi s ASP 106 Ca 0.28 -0.39 0.08 0.00 1.18 0.00 0.00 52.55 53.70 2kmi s ASP 106 Cb 0.17 -0.48 -0.03 0.00 -0.34 0.00 0.00 42.92 42.25 2kmi s ASP 106 CO 0.24 0.22 -0.21 0.00 0.68 0.00 0.00 175.17 176.10 2kmi s ARG 107 N -0.25 1.27 0.06 2.11 1.70 -1.21 -1.98 118.95 120.65 2kmi s ARG 107 Ca 0.02 -1.03 0.10 0.00 -0.47 0.00 0.00 55.73 54.35 2kmi s ARG 107 Cb -0.10 -1.44 -0.03 0.00 -0.57 0.00 0.00 34.95 32.81 2kmi s ARG 107 CO 0.01 0.36 -0.27 0.00 -1.08 0.00 0.00 175.30 174.32 2kmi s ALA 108 N -0.95 2.27 0.03 7.88 0.00 0.34 -3.06 121.76 128.28 2kmi s ALA 108 Ca 0.07 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.77 2kmi s ALA 108 Cb -0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2kmi s ALA 108 CO 0.03 0.54 -0.14 -1.50 0.00 0.00 0.00 175.76 174.68 2kmi s ILE 109 N -0.84 1.11 -0.05 0.00 -1.16 -0.50 -1.94 121.20 117.82 2kmi s ILE 109 Ca 0.12 -0.89 -0.01 0.00 -0.51 0.00 0.00 60.65 59.36 2kmi s ILE 109 Cb -0.10 -0.98 0.03 0.00 0.61 0.00 0.00 42.46 42.01 2kmi s ILE 109 CO 0.03 0.09 0.03 0.12 -2.81 0.00 0.00 174.94 172.40 2kmi s PHE 110 N -0.71 0.26 -0.05 3.50 2.19 0.48 -2.65 117.98 121.00 2kmi s PHE 110 Ca 0.03 0.10 -0.01 0.00 0.33 0.00 0.00 56.93 57.38 2kmi s PHE 110 Cb -0.07 -0.55 0.03 0.00 -1.31 0.00 0.00 43.02 41.11 2kmi s PHE 110 CO 0.01 -0.22 0.00 0.00 1.83 0.00 0.00 175.22 176.84 2kmi s MET 111 N 1.92 0.48 -0.01 10.12 0.23 -1.18 -0.11 119.30 130.74 2kmi s MET 111 Ca 0.03 0.11 -0.16 0.00 -1.03 0.00 0.00 55.69 54.63 2kmi s MET 111 Cb -0.12 -0.79 0.03 0.00 -1.53 0.00 0.00 34.83 32.42 2kmi s MET 111 CO -0.03 -0.24 0.35 -1.17 -2.03 0.00 0.00 175.02 171.89 2kmi s LEU 112 N 1.67 0.71 0.17 0.18 2.96 -1.12 -3.15 118.68 120.11 2kmi s LEU 112 Ca -0.00 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 2kmi s LEU 112 Cb -0.13 1.40 -0.00 0.00 0.50 0.00 0.00 46.19 47.96 2kmi s LEU 112 CO -0.03 -0.48 1.40 0.03 -1.32 0.00 0.00 176.35 175.94 2kmi h ARG 113 N 3.71 0.03 0.00 1.98 -0.00 -1.82 -3.35 114.38 114.93 2kmi h ARG 113 Ca -0.30 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 2kmi h ARG 113 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.16 2kmi h ARG 113 CO 0.40 0.87 -0.28 -0.44 0.00 0.00 0.00 179.97 180.53 2kmi h ASP 114 N 0.02 0.00 0.00 7.04 5.19 -1.88 -1.41 116.42 125.37 2kmi h ASP 114 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2kmi h ASP 114 Cb 1.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.03 2kmi h ASP 114 CO 0.12 0.42 0.00 0.61 -3.12 0.00 0.00 179.24 177.27 2kmi n GLY 115 N 1.68 1.50 0.43 2.75 0.00 -1.26 -4.70 105.19 105.59 2kmi n GLY 115 Ca -0.04 -0.70 0.24 0.00 0.00 0.00 0.00 46.02 45.51 2kmi n GLY 115 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kmi h SER 116 N 0.00 0.21 0.65 1.61 0.87 -1.96 0.21 113.55 115.13 2kmi h SER 116 Ca 0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2kmi h SER 116 Cb 0.00 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2kmi h SER 116 CO 0.00 0.08 -0.47 0.22 -0.53 0.00 0.00 176.83 176.13 2kmi h TYR 117 N 0.20 -1.26 0.00 2.24 5.03 -2.00 -2.86 116.97 118.33 2kmi h TYR 117 Ca 0.45 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.64 2kmi h TYR 117 Cb 1.42 0.47 -0.02 0.00 1.55 0.00 0.00 36.73 40.15 2kmi h TYR 117 CO -0.00 -0.67 -0.51 0.00 -1.32 0.00 0.00 178.16 175.66 2kmi h ALA 118 N -1.14 1.09 -1.00 1.82 0.00 -1.77 -3.03 119.26 115.25 2kmi h ALA 118 Ca -0.09 -0.47 0.28 0.00 0.00 0.00 0.00 54.91 54.64 2kmi h ALA 118 Cb 0.87 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2kmi h ALA 118 CO 0.04 0.64 0.71 2.35 0.00 0.00 0.00 179.25 182.99 2kmi h TRP 119 N 0.00 0.09 0.95 0.00 2.91 -0.38 0.32 115.95 119.84 2kmi h TRP 119 Ca -0.01 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.94 -0.03 0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2kmi h TRP 119 CO 0.00 0.01 -0.46 1.49 -1.03 0.00 0.00 178.44 178.46 2kmi h GLU 120 N 0.06 -1.23 -0.00 2.65 4.81 -1.39 -2.98 114.58 116.49 2kmi h GLU 120 Ca 0.48 0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.69 2kmi h GLU 120 Cb 1.83 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 31.47 2kmi h GLU 120 CO -0.04 -0.82 -0.52 0.82 -0.73 0.00 0.00 179.01 177.72 2kmi h ILE 121 N -1.30 1.37 -0.90 2.32 2.04 -1.50 -3.00 117.51 116.54 2kmi h ILE 121 Ca -0.13 -1.79 0.22 0.00 1.00 0.00 0.00 64.86 64.17 2kmi h ILE 121 Cb 0.98 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.96 2kmi h ILE 121 CO 0.21 0.51 0.61 0.50 0.00 0.00 0.00 178.15 179.99 2kmi h LYS 122 N 0.00 0.28 0.19 2.37 3.64 -0.33 -0.03 116.57 122.69 2kmi h LYS 122 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2kmi h LYS 122 Cb 0.92 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 2kmi h LYS 122 CO 0.07 0.18 -0.51 0.22 -2.27 0.00 0.00 179.45 177.14 2kmi h ASP 123 N 0.29 -1.52 0.04 4.20 3.58 -1.37 0.81 116.42 122.45 2kmi h ASP 123 Ca 0.46 0.15 -0.15 0.00 0.42 0.00 0.00 57.03 57.92 2kmi h ASP 123 Cb 1.35 0.55 -0.01 0.00 1.72 0.00 0.00 39.33 42.94 2kmi h ASP 123 CO -0.14 -0.57 -0.50 -0.26 -2.88 0.00 0.00 179.24 174.90 2kmi h PHE 124 N -0.79 0.63 0.43 0.28 -1.00 -1.58 -2.25 116.94 112.67 2kmi h PHE 124 Ca -0.02 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 2kmi h PHE 124 Cb 0.76 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 2kmi h PHE 124 CO -0.41 0.91 -0.50 1.25 -1.61 0.00 0.00 178.31 177.95 2kmi h LEU 125 N 0.41 -1.40 -1.54 1.54 5.85 -0.64 -2.21 115.31 117.31 2kmi h LEU 125 Ca 0.02 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 2kmi h LEU 125 Cb 1.02 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2kmi h LEU 125 CO 0.09 -0.64 -0.23 1.62 -0.34 0.00 0.00 178.44 178.94 2kmi h VAL 126 N -0.95 1.15 -0.86 1.05 3.04 -0.91 -2.56 116.25 116.20 2kmi h VAL 126 Ca -0.05 -0.80 0.23 0.00 -1.01 0.00 0.00 66.70 65.07 2kmi h VAL 126 Cb 0.84 1.43 -0.05 0.00 -2.01 0.00 0.00 31.29 31.51 2kmi h VAL 126 CO -0.10 0.23 0.60 0.77 -1.01 0.00 0.00 177.57 178.06 2kmi h SER 127 N 0.00 0.16 -0.12 3.17 4.64 -0.76 0.23 113.55 120.86 2kmi h SER 127 Ca -0.00 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 2kmi h SER 127 Cb 0.42 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2kmi h SER 127 CO 0.03 0.06 -0.43 -0.61 -0.87 0.00 0.00 176.83 175.01 2kmi h GLN 128 N 0.15 0.66 -3.59 4.77 5.75 -1.28 -3.47 115.11 118.10 2kmi h GLN 128 Ca 0.43 -0.36 -0.34 0.00 -0.15 0.00 0.00 58.65 58.23 2kmi h GLN 128 Cb 1.44 0.02 0.04 0.00 1.07 0.00 0.00 27.48 30.05 2kmi h GLN 128 CO -0.07 0.97 -0.50 -3.47 -2.65 0.00 0.00 178.83 173.11 2kmi n ASP 129 N -4.02 -5.34 -2.67 -0.69 -0.08 0.81 -4.92 116.55 99.63 2kmi n ASP 129 Ca -0.02 -0.20 -0.03 0.00 -1.51 0.00 0.00 54.79 53.02 2kmi n ASP 129 Cb 0.54 -4.22 0.04 0.00 2.34 0.00 0.00 41.12 39.82 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kmi n ARG 130 N -3.36 0.13 -3.74 -0.67 0.63 0.14 -4.54 116.66 105.25 2kmi n ARG 130 Ca -0.11 -0.85 -0.13 0.00 -0.92 0.00 0.00 57.85 55.84 2kmi n ARG 130 Cb 0.61 0.02 -0.11 0.00 0.45 0.00 0.00 32.46 33.44 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kmi s ALA 132 N 0.33 2.57 0.03 0.00 0.00 -1.26 -1.92 121.76 121.50 2kmi s ALA 132 Ca -0.01 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.25 2kmi s ALA 132 Cb -0.03 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2kmi s ALA 132 CO -0.01 -1.14 -0.10 -1.21 0.00 0.00 0.00 175.76 173.30 2kmi s GLU 133 N 1.12 0.69 -0.15 0.00 2.02 0.89 -4.55 118.70 118.73 2kmi s GLU 133 Ca -0.08 -0.59 -0.08 0.00 0.02 0.00 0.00 54.97 54.24 2kmi s GLU 133 Cb -0.19 -0.62 0.05 0.00 0.10 0.00 0.00 34.13 33.47 2kmi s GLU 133 CO -0.05 0.15 0.36 0.54 0.02 0.00 0.00 175.26 176.28 2kmi s VAL 134 N -0.77 -0.03 -0.08 2.63 0.11 -1.26 -2.79 120.40 118.21 2kmi s VAL 134 Ca -0.01 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2kmi s VAL 134 Cb -0.07 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2kmi s VAL 134 CO 0.01 0.04 0.14 -0.89 -3.33 0.00 0.00 175.10 171.07 2kmi s THR 135 N 1.25 -0.23 -0.16 5.04 2.01 -0.10 -4.40 115.64 119.05 2kmi s THR 135 Ca -0.09 0.37 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 2kmi s THR 135 Cb -0.08 -0.27 0.07 0.00 0.01 0.00 0.00 72.50 72.22 2kmi s THR 135 CO -0.10 0.15 0.36 -1.48 -0.69 0.00 0.00 174.62 172.86 2kmi s LEU 136 N 2.27 -0.20 -0.02 4.42 2.34 -1.26 -3.14 118.68 123.09 2kmi s LEU 136 Ca 0.03 0.81 -0.06 0.00 0.06 0.00 0.00 54.13 54.98 2kmi s LEU 136 Cb -0.12 1.14 0.01 0.00 -0.56 0.00 0.00 46.19 46.66 2kmi s LEU 136 CO -0.05 -0.21 0.13 -1.61 -1.06 0.00 0.00 176.35 173.55 2kmi s GLU 137 N 1.89 0.34 -0.42 1.48 2.02 -1.25 -4.93 118.70 117.83 2kmi s GLU 137 Ca -0.05 -0.14 0.06 0.00 0.02 0.00 0.00 54.97 54.86 2kmi s GLU 137 Cb -0.10 0.14 0.22 0.00 0.10 0.00 0.00 34.13 34.49 2kmi s GLU 137 CO -0.11 -0.07 0.54 0.41 0.02 0.00 0.00 175.26 176.05 2kmi n GLY 138 N 2.16 1.91 2.88 -1.39 0.00 -1.26 -0.20 105.19 109.29 2kmi n GLY 138 Ca -0.18 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 2kmi n GLY 138 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kmi s GLN 139 N -0.36 1.40 -1.36 1.61 2.00 -1.26 -4.76 119.66 116.92 2kmi s GLN 139 Ca 0.34 -0.54 -0.03 0.00 -2.00 0.00 0.00 55.36 53.13 2kmi s GLN 139 Cb 0.13 -2.04 0.00 0.00 0.80 0.00 0.00 33.01 31.90 2kmi s GLN 139 CO -0.15 -0.45 0.39 -1.33 -0.50 0.00 0.00 175.29 173.24 2kmi n MET 140 N 4.87 -3.49 -3.38 1.67 2.81 -1.26 -3.39 117.12 114.95 2kmi n MET 140 Ca -0.12 0.79 -0.12 0.00 -1.81 0.00 0.00 57.70 56.45 2kmi n MET 140 Cb 0.47 -5.34 0.00 0.00 -0.71 0.00 0.00 33.22 27.65 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kmi n TYR 141 N -4.25 -2.55 0.37 2.03 4.02 -1.25 -4.67 117.16 110.86 2kmi n TYR 141 Ca -0.12 0.98 0.13 0.00 -0.01 0.00 0.00 57.90 58.87 2kmi n TYR 141 Cb 0.62 -3.56 0.54 0.00 -0.02 0.00 0.00 39.34 36.92 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2kmi h PRO 142 N 0.00 0.00 -1.46 -0.72 0.13 -1.71 -3.40 132.00 124.84 2kmi h PRO 142 Ca -0.29 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.68 2kmi h PRO 142 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 2kmi h PRO 142 CO 0.34 0.00 -0.52 0.20 -0.23 0.00 0.00 178.00 177.79 2kmi s GLY 143 N -3.69 -0.75 0.00 1.56 0.00 -1.25 -4.75 107.32 98.44 2kmi s GLY 143 Ca 0.03 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.88 2kmi s GLY 143 CO 0.42 3.25 0.00 1.17 0.00 0.00 0.00 173.10 177.94 2kmi n LYS 144 N 4.93 0.00 0.00 2.90 4.81 -1.26 -2.82 118.16 126.71 2kmi n LYS 144 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2kmi n LYS 144 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98