#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 0.32 -0.14 0.00 -1.26 -4.90 118.16 112.17 2kmi n LYS 2 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 58.31 58.52 2kmi n LYS 2 Cb 0.00 0.00 1.06 0.00 0.00 0.00 0.00 35.03 36.09 2kmi n LYS 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kmi h LYS 3 N 0.00 0.00 -5.04 1.64 3.11 -1.99 -3.46 116.57 110.83 2kmi h LYS 3 Ca 0.00 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.51 2kmi h LYS 3 Cb 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 32.23 31.35 2kmi h LYS 3 CO 0.00 0.00 -0.57 1.17 -2.81 0.00 0.00 179.45 177.24 2kmi n LYS 4 N -3.06 -6.57 -3.11 1.90 4.81 -1.26 -4.95 118.16 105.92 2kmi n LYS 4 Ca -0.02 0.69 -0.29 0.00 -0.87 0.00 0.00 58.31 57.82 2kmi n LYS 4 Cb 0.14 -5.32 -0.05 0.00 0.02 0.00 0.00 35.03 29.82 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kmi n ASP 5 N -2.31 4.62 -4.61 3.14 2.03 -1.26 -5.05 116.55 113.12 2kmi n ASP 5 Ca -0.01 -3.58 -0.25 0.00 0.52 0.00 0.00 54.79 51.47 2kmi n ASP 5 Cb 0.56 -0.71 -0.09 0.00 -0.72 0.00 0.00 41.12 40.15 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmi s ILE 6 N -3.56 2.39 -1.34 5.18 -0.00 -1.26 -4.67 121.20 117.94 2kmi s ILE 6 Ca 0.43 -2.04 -0.09 0.00 -0.00 0.00 0.00 60.65 58.95 2kmi s ILE 6 Cb 0.20 -2.78 -0.11 0.00 -0.00 0.00 0.00 42.46 39.77 2kmi s ILE 6 CO -0.07 -0.16 3.06 -1.14 -0.00 0.00 0.00 174.94 176.63 2kmi n ARG 7 N -0.92 3.45 -2.89 0.37 3.00 -1.26 -4.55 116.66 113.86 2kmi n ARG 7 Ca -0.04 -2.04 -0.18 0.00 -0.00 0.00 0.00 57.85 55.58 2kmi n ARG 7 Cb 0.63 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 30.44 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kmi n ASP 8 N 3.32 -4.17 -2.76 6.15 -0.08 -1.26 -3.45 116.55 114.30 2kmi n ASP 8 Ca 0.72 -0.11 -0.00 0.00 -1.51 0.00 0.00 54.79 53.89 2kmi n ASP 8 Cb 0.35 -3.48 0.00 0.00 2.34 0.00 0.00 41.12 40.33 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kmi n TYR 9 N -3.77 -3.73 0.11 -0.67 4.02 -1.26 -4.98 117.16 106.88 2kmi n TYR 9 Ca -0.09 1.65 0.00 0.00 -0.01 0.00 0.00 57.90 59.45 2kmi n TYR 9 Cb 0.59 -3.80 0.00 0.00 -0.02 0.00 0.00 39.34 36.10 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2kmi n ASN 10 N 0.75 -1.99 -2.72 7.72 4.13 -1.22 -5.00 115.26 116.93 2kmi n ASN 10 Ca 0.00 0.56 -0.05 0.00 1.68 0.00 0.00 54.58 56.77 2kmi n ASN 10 Cb 0.04 2.06 0.04 0.00 -1.54 0.00 0.00 39.78 40.38 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kmi n ASP 11 N -2.97 1.92 0.21 6.41 2.03 -1.26 -4.87 116.55 118.02 2kmi n ASP 11 Ca 0.00 -2.37 0.06 0.00 0.52 0.00 0.00 54.79 53.00 2kmi n ASP 11 Cb 0.00 -0.48 0.44 0.00 -0.72 0.00 0.00 41.12 40.36 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmi h ALA 12 N 2.66 1.20 -0.33 -1.67 0.00 -1.94 -2.79 119.26 116.39 2kmi h ALA 12 Ca -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2kmi h ALA 12 Cb 1.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2kmi h ALA 12 CO 0.32 0.39 0.05 -0.44 0.00 0.00 0.00 179.25 179.57 2kmi h ASP 13 N 0.00 0.44 0.05 0.00 5.19 -1.91 -2.04 116.42 118.16 2kmi h ASP 13 Ca -0.00 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.30 2kmi h ASP 13 Cb 0.68 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2kmi h ASP 13 CO 0.04 0.47 -0.12 -0.03 -3.12 0.00 0.00 179.24 176.48 2kmi h MET 14 N 0.47 0.17 -0.27 3.56 4.05 -1.71 -2.12 114.93 119.09 2kmi h MET 14 Ca 0.11 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.57 2kmi h MET 14 Cb 0.23 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2kmi h MET 14 CO 0.00 0.31 0.29 0.00 0.23 0.00 0.00 176.91 177.74 2kmi h ALA 15 N 1.71 1.94 -0.78 0.39 0.00 -1.46 -0.73 119.26 120.34 2kmi h ALA 15 Ca 0.03 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.10 2kmi h ALA 15 Cb 0.33 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2kmi h ALA 15 CO 0.02 -0.44 0.52 -0.09 0.00 0.00 0.00 179.25 179.26 2kmi h ARG 16 N 0.00 0.37 -0.08 0.00 2.43 -1.50 0.23 114.38 115.83 2kmi h ARG 16 Ca 0.13 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2kmi h ARG 16 Cb 0.72 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2kmi h ARG 16 CO -0.00 0.25 0.13 1.37 -1.51 0.00 0.00 179.97 180.21 2kmi h LEU 17 N 0.38 0.00 -1.97 3.80 8.10 -1.33 -1.47 115.31 122.82 2kmi h LEU 17 Ca 0.39 0.00 0.24 0.00 0.11 0.00 0.00 57.88 58.61 2kmi h LEU 17 Cb 0.94 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.13 2kmi h LEU 17 CO -0.12 0.00 0.59 -0.07 -4.11 0.00 0.00 178.44 174.73 2kmi h LEU 18 N 0.00 0.02 -2.00 0.17 3.38 -0.71 0.19 115.31 116.36 2kmi h LEU 18 Ca 0.04 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.17 2kmi h LEU 18 Cb 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2kmi h LEU 18 CO -0.00 0.01 0.46 -0.33 0.09 0.00 0.00 178.44 178.66 2kmi h GLU 19 N 0.02 0.00 -0.05 1.13 5.08 -1.45 0.24 114.58 119.55 2kmi h GLU 19 Ca 0.39 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2kmi h GLU 19 Cb 1.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 2kmi h GLU 19 CO -0.01 0.00 0.07 0.37 -1.00 0.00 0.00 179.01 178.43 2kmi h GLN 20 N 0.00 0.00 -1.01 2.33 4.15 -0.65 -1.94 115.11 117.99 2kmi h GLN 20 Ca 0.27 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.87 2kmi h GLN 20 Cb 1.18 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.76 2kmi h GLN 20 CO -0.00 0.00 0.62 2.35 -1.93 0.00 0.00 178.83 179.86 2kmi h TRP 21 N 0.00 1.09 0.12 3.99 7.01 -0.70 -2.47 115.95 124.99 2kmi h TRP 21 Ca 0.02 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2kmi h TRP 21 Cb 0.15 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2kmi h TRP 21 CO 0.00 0.27 -0.06 1.49 -2.79 0.00 0.00 178.44 177.35 2kmi h GLU 22 N 0.80 -0.16 -0.90 2.65 4.22 -1.57 -3.47 114.58 116.16 2kmi h GLU 22 Ca 0.57 0.01 -0.39 0.00 0.08 0.00 0.00 59.36 59.63 2kmi h GLU 22 Cb 0.83 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.97 2kmi h GLU 22 CO -0.36 0.32 -0.35 1.17 -2.18 0.00 0.00 179.01 177.61 2kmi n LYS 23 N -4.87 -1.43 0.25 1.92 4.81 -0.93 -4.83 118.16 113.09 2kmi n LYS 23 Ca -0.08 1.17 0.12 0.00 -0.87 0.00 0.00 58.31 58.65 2kmi n LYS 23 Cb 0.27 -5.52 0.64 0.00 0.02 0.00 0.00 35.03 30.44 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kmi h ASP 24 N 0.00 0.00 -5.03 3.14 3.58 -1.82 -3.47 116.42 112.82 2kmi h ASP 24 Ca -0.39 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.76 2kmi h ASP 24 Cb 1.29 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.47 2kmi h ASP 24 CO 0.57 0.15 -0.61 -0.67 -2.88 0.00 0.00 179.24 175.80 2kmi n ASP 25 N -3.50 -3.49 -0.19 2.28 2.03 -1.23 -4.89 116.55 107.56 2kmi n ASP 25 Ca -0.01 -0.49 0.15 0.00 0.52 0.00 0.00 54.79 54.96 2kmi n ASP 25 Cb 0.31 -4.32 0.47 0.00 -0.72 0.00 0.00 41.12 36.86 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 -1.85 0.45 -4.68 1.67 5.19 -1.57 -3.42 116.42 112.21 2kmi h ASP 26 Ca -0.48 0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 55.68 2kmi h ASP 26 Cb 1.29 -0.06 -0.22 0.00 0.18 0.00 0.00 39.33 40.52 2kmi h ASP 26 CO 0.44 0.23 -0.73 -0.63 -3.12 0.00 0.00 179.24 175.43 2kmi s ILE 27 N -5.47 0.48 -0.05 0.35 -1.09 -1.26 -5.03 121.20 109.13 2kmi s ILE 27 Ca -0.08 -0.96 0.07 0.00 -2.23 0.00 0.00 60.65 57.45 2kmi s ILE 27 Cb 0.21 -0.54 -0.11 0.00 -1.58 0.00 0.00 42.46 40.44 2kmi s ILE 27 CO 0.77 -0.33 0.09 -1.84 -1.23 0.00 0.00 174.94 172.39 2kmi n GLU 28 N 1.66 1.79 -2.73 2.79 0.28 -1.26 -5.01 120.64 118.16 2kmi n GLU 28 Ca -0.22 -0.03 -0.25 0.00 -0.16 0.00 0.00 57.16 56.50 2kmi n GLU 28 Cb 0.55 -1.20 0.02 0.00 1.43 0.00 0.00 31.44 32.24 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kmi s GLU 29 N -2.33 3.06 0.00 3.44 2.56 -1.26 -4.89 118.70 119.27 2kmi s GLU 29 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2kmi s GLU 29 Cb 0.03 -2.43 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2kmi s GLU 29 CO 0.33 -0.43 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 2kmi n GLY 30 N -2.29 0.81 3.76 -1.50 0.00 -1.25 -4.58 105.19 100.14 2kmi n GLY 30 Ca 0.02 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 7.04 0.17 1.61 1.11 -1.26 -0.41 116.67 124.94 2kmi s ASP 31 Ca 0.00 2.45 0.05 0.00 0.18 0.00 0.00 52.55 55.24 2kmi s ASP 31 Cb 0.00 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.31 2kmi s ASP 31 CO 0.00 -0.32 -0.10 -0.76 1.18 0.00 0.00 175.17 175.16 2kmi s LEU 32 N -1.54 2.50 -0.68 1.23 1.02 -1.23 -4.94 118.68 115.04 2kmi s LEU 32 Ca 0.47 -1.04 -0.26 0.00 0.02 0.00 0.00 54.13 53.32 2kmi s LEU 32 Cb -0.35 -0.43 -0.03 0.00 0.02 0.00 0.00 46.19 45.40 2kmi s LEU 32 CO 0.46 -0.31 1.88 -2.16 0.02 0.00 0.00 176.35 176.24 2kmi s PRO 33 N -3.73 2.61 -0.53 1.29 0.04 -1.26 -4.95 135.00 128.48 2kmi s PRO 33 Ca 0.20 0.40 -0.19 0.00 0.04 0.00 0.00 61.00 61.45 2kmi s PRO 33 Cb 0.02 -4.54 0.07 0.00 0.04 0.00 0.00 34.50 30.09 2kmi s PRO 33 CO 0.03 -2.87 0.66 -2.00 0.04 0.00 0.00 177.00 172.86 2kmi s GLU 34 N 7.03 3.11 0.70 4.56 2.56 -1.26 -5.05 118.70 130.34 2kmi s GLU 34 Ca 0.68 -0.95 -0.12 0.00 0.00 0.00 0.00 54.97 54.58 2kmi s GLU 34 Cb -0.11 -4.13 0.17 0.00 2.00 0.00 0.00 34.13 32.06 2kmi s GLU 34 CO 0.16 -1.31 0.58 1.58 -0.56 0.00 0.00 175.26 175.71 2kmi n HIS 35 N 6.28 -3.40 -3.75 5.30 -0.00 -1.26 -5.01 115.22 113.38 2kmi n HIS 35 Ca -0.07 -0.53 -0.37 0.00 0.46 0.00 0.00 57.72 57.21 2kmi n HIS 35 Cb 0.45 -0.63 -0.12 0.00 -0.12 0.00 0.00 29.99 29.57 2kmi n HIS 35 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2kmi s LYS 36 N -4.32 2.40 0.39 1.57 0.00 -1.26 -4.87 119.74 113.64 2kmi s LYS 36 Ca 0.38 -1.46 -0.00 0.00 0.00 0.00 0.00 55.97 54.90 2kmi s LYS 36 Cb -0.04 -3.52 -0.03 0.00 0.00 0.00 0.00 37.83 34.24 2kmi s LYS 36 CO 0.30 -0.85 0.60 1.03 0.00 0.00 0.00 175.35 176.43 2kmi s ARG 37 N 1.30 3.38 0.72 1.78 0.52 -1.26 -4.92 118.95 120.46 2kmi s ARG 37 Ca 0.02 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 2kmi s ARG 37 Cb -0.21 -2.61 0.03 0.00 0.52 0.00 0.00 34.95 32.67 2kmi s ARG 37 CO -0.00 0.01 1.10 -1.25 0.02 0.00 0.00 175.30 175.17 2kmi s PRO 38 N -4.42 2.52 0.23 3.54 0.04 -1.26 -2.67 135.00 132.97 2kmi s PRO 38 Ca 0.43 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2kmi s PRO 38 Cb -0.10 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2kmi s PRO 38 CO 0.37 -1.46 0.58 -1.54 0.04 0.00 0.00 177.00 175.00 2kmi s SER 39 N -3.01 6.70 -0.26 6.66 1.04 -1.17 -4.17 113.70 119.50 2kmi s SER 39 Ca 0.64 1.02 -0.38 0.00 0.48 0.00 0.00 55.95 57.71 2kmi s SER 39 Cb -0.19 -2.27 0.15 0.00 0.10 0.00 0.00 66.02 63.82 2kmi s SER 39 CO 0.49 -0.05 1.34 0.00 0.98 0.00 0.00 173.24 175.99 2kmi s ALA 40 N -1.76 -2.18 -0.12 5.32 0.00 -1.26 -5.02 121.76 116.74 2kmi s ALA 40 Ca 0.46 1.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.93 2kmi s ALA 40 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 40 CO 0.20 -0.58 1.54 -1.25 0.00 0.00 0.00 175.76 175.67 2kmi s PRO 41 N -2.14 4.12 -0.08 0.00 0.04 -1.26 -4.34 135.00 131.34 2kmi s PRO 41 Ca 0.11 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2kmi s PRO 41 Cb -0.01 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2kmi s PRO 41 CO -0.03 -0.90 -0.16 -1.50 0.04 0.00 0.00 177.00 174.45 2kmi s ILE 42 N 4.12 1.46 0.01 0.56 1.10 -1.26 -5.06 121.20 122.12 2kmi s ILE 42 Ca 0.68 -0.67 -0.03 0.00 -0.51 0.00 0.00 60.65 60.12 2kmi s ILE 42 Cb -0.28 -1.30 -0.01 0.00 0.15 0.00 0.00 42.46 41.02 2kmi s ILE 42 CO 0.25 0.43 0.04 1.51 -2.11 0.00 0.00 174.94 175.06 2kmi s ASP 43 N 0.55 0.13 0.26 4.50 1.47 -1.26 -3.95 116.67 118.37 2kmi s ASP 43 Ca -0.16 -0.32 0.14 0.00 1.18 0.00 0.00 52.55 53.39 2kmi s ASP 43 Cb -0.17 0.14 0.10 0.00 -0.34 0.00 0.00 42.92 42.65 2kmi s ASP 43 CO 0.06 -0.29 1.45 0.15 0.68 0.00 0.00 175.17 177.22 2kmi h PHE 44 N 4.70 0.00 0.00 2.11 3.57 -1.63 -3.43 116.94 122.25 2kmi h PHE 44 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2kmi h PHE 44 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2kmi h PHE 44 CO 0.61 0.58 0.00 0.45 -2.23 0.00 0.00 178.31 177.71 2kmi n SER 45 N -3.29 0.00 -3.65 0.41 2.88 -1.26 -5.11 113.62 103.61 2kmi n SER 45 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.54 2kmi n SER 45 Cb 0.74 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.14 2kmi n SER 45 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kmi s LYS 46 N -1.01 0.03 -0.07 -1.46 1.02 -1.26 -5.07 119.74 111.91 2kmi s LYS 46 Ca 0.00 0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.05 2kmi s LYS 46 Cb 0.00 0.01 0.09 0.00 -0.52 0.00 0.00 37.83 37.41 2kmi s LYS 46 CO 0.00 -0.00 0.68 1.47 -0.92 0.00 0.00 175.35 176.58 2kmi n LEU 47 N 1.91 -0.50 -2.95 3.17 -0.00 -1.26 -5.05 117.00 112.32 2kmi n LEU 47 Ca -0.12 -1.39 -0.14 0.00 -0.00 0.00 0.00 56.01 54.37 2kmi n LEU 47 Cb 0.57 0.35 -0.01 0.00 -0.00 0.00 0.00 43.42 44.33 2kmi n LEU 47 CO 0.02 1.11 -0.01 0.47 -0.00 0.00 0.00 177.39 178.98 2kmi n ASP 48 N -0.34 -1.92 -0.06 1.45 8.00 -1.26 -5.00 116.55 117.42 2kmi n ASP 48 Ca -0.09 -2.95 -0.13 0.00 0.71 0.00 0.00 54.79 52.33 2kmi n ASP 48 Cb 0.55 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.46 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kmi h PRO 49 N 4.42 0.40 0.00 -0.24 0.13 -2.05 -3.44 132.00 131.22 2kmi h PRO 49 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2kmi h PRO 49 Cb 0.99 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kmi h PRO 49 CO 0.30 0.77 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 2kmi n GLY 50 N 0.19 -1.51 3.75 1.56 0.00 -1.26 -5.16 105.19 102.75 2kmi n GLY 50 Ca -0.06 0.71 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 2kmi n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmi s LYS 51 N 0.00 2.52 0.45 1.61 -2.85 -1.26 -4.98 119.74 115.23 2kmi s LYS 51 Ca 0.00 1.63 -0.23 0.00 -1.00 0.00 0.00 55.97 56.36 2kmi s LYS 51 Cb 0.00 -1.89 -0.08 0.00 -2.06 0.00 0.00 37.83 33.80 2kmi s LYS 51 CO 0.00 -1.51 1.17 -1.25 0.10 0.00 0.00 175.35 173.86 2kmi s PRO 52 N -3.88 3.81 0.25 1.78 0.04 -1.26 -4.95 135.00 130.79 2kmi s PRO 52 Ca 0.72 1.80 0.06 0.00 0.04 0.00 0.00 61.00 63.61 2kmi s PRO 52 Cb -0.26 -2.46 0.31 0.00 0.04 0.00 0.00 34.50 32.13 2kmi s PRO 52 CO 0.42 -0.51 1.59 1.05 0.04 0.00 0.00 177.00 179.59 2kmi h GLU 53 N 2.16 0.20 0.14 4.56 4.11 -1.98 -2.19 114.58 121.59 2kmi h GLU 53 Ca -0.49 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 58.82 2kmi h GLU 53 Cb 1.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2kmi h GLU 53 CO 0.61 0.72 -0.27 1.03 0.07 0.00 0.00 179.01 181.17 2kmi h SER 54 N 0.15 -0.75 -0.28 3.06 0.87 -2.00 0.11 113.55 114.72 2kmi h SER 54 Ca -0.00 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 2kmi h SER 54 Cb 1.05 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2kmi h SER 54 CO 0.09 -0.36 -0.27 0.40 -0.53 0.00 0.00 176.83 176.15 2kmi h ILE 55 N -0.49 1.30 -0.86 2.23 1.08 -1.97 -2.95 117.51 115.85 2kmi h ILE 55 Ca 0.02 -1.44 0.11 0.00 -0.39 0.00 0.00 64.86 63.16 2kmi h ILE 55 Cb 0.50 1.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.79 2kmi h ILE 55 CO -0.14 0.46 0.56 0.25 -0.69 0.00 0.00 178.15 178.59 2kmi h LEU 56 N 0.41 0.71 -0.68 1.44 5.85 -1.19 -0.51 115.31 121.35 2kmi h LEU 56 Ca 0.04 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2kmi h LEU 56 Cb 0.84 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2kmi h LEU 56 CO 0.07 0.40 -0.27 0.50 -0.34 0.00 0.00 178.44 178.80 2kmi h LYS 57 N 0.78 0.73 -0.07 1.25 3.64 -0.69 -2.87 116.57 119.34 2kmi h LYS 57 Ca 0.41 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 2kmi h LYS 57 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2kmi h LYS 57 CO -0.17 0.92 -0.36 0.52 -2.27 0.00 0.00 179.45 178.09 2kmi h MET 58 N 0.63 0.14 -4.53 1.90 2.86 -0.96 -3.39 114.93 111.57 2kmi h MET 58 Ca 0.08 -0.06 -0.72 0.00 -2.06 0.00 0.00 59.70 56.95 2kmi h MET 58 Cb 0.78 -0.01 -0.22 0.00 0.06 0.00 0.00 31.60 32.21 2kmi h MET 58 CO 0.06 0.49 -0.46 0.95 1.06 0.00 0.00 176.91 179.01 2kmi s THR 59 N -4.23 5.04 -0.38 2.22 -4.23 -0.62 -4.92 115.64 108.52 2kmi s THR 59 Ca -0.04 -0.73 0.12 0.00 -1.18 0.00 0.00 61.69 59.86 2kmi s THR 59 Cb 0.14 -3.81 0.39 0.00 1.34 0.00 0.00 72.50 70.56 2kmi s THR 59 CO 0.75 -0.29 1.03 2.29 -0.54 0.00 0.00 174.62 177.86 2kmi n LYS 60 N 5.11 1.09 0.12 3.99 2.85 -1.26 -4.82 118.16 125.24 2kmi n LYS 60 Ca -0.11 -2.68 -0.05 0.00 -1.05 0.00 0.00 58.31 54.42 2kmi n LYS 60 Cb 0.47 -1.01 -0.02 0.00 -0.65 0.00 0.00 35.03 33.81 2kmi n LYS 60 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2kmi h LYS 61 N 2.75 -0.29 -3.80 -1.58 1.63 -1.92 -3.49 116.57 109.87 2kmi h LYS 61 Ca -0.10 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2kmi h LYS 61 Cb 1.15 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.84 2kmi h LYS 61 CO 0.29 -0.19 -0.40 0.41 -3.45 0.00 0.00 179.45 176.10 2kmi n GLY 62 N -0.47 -3.45 3.16 5.01 0.00 -1.26 -4.55 105.19 103.63 2kmi n GLY 62 Ca -0.04 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2kmi n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmi s LYS 63 N -0.65 0.25 -0.01 1.61 -2.85 0.18 -1.11 119.74 117.16 2kmi s LYS 63 Ca -0.01 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 2kmi s LYS 63 Cb 0.00 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 2kmi s LYS 63 CO 0.30 -0.27 0.04 0.99 0.10 0.00 0.00 175.35 176.51 2kmi s THR 64 N 2.54 4.46 -0.10 3.79 2.01 -0.77 -3.97 115.64 123.60 2kmi s THR 64 Ca -0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2kmi s THR 64 Cb -0.12 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 2kmi s THR 64 CO -0.11 0.39 -0.19 -1.48 -0.69 0.00 0.00 174.62 172.54 2kmi s LEU 65 N -1.56 2.38 -0.30 4.42 2.34 -1.26 -3.66 118.68 121.04 2kmi s LEU 65 Ca 0.20 -0.43 -0.09 0.00 0.06 0.00 0.00 54.13 53.87 2kmi s LEU 65 Cb -0.12 -1.49 0.17 0.00 -0.56 0.00 0.00 46.19 44.19 2kmi s LEU 65 CO 0.11 0.19 0.79 0.00 -1.06 0.00 0.00 176.35 176.39 2kmi s MET 66 N 0.17 0.43 -0.19 1.48 0.23 -1.18 -3.58 119.30 116.66 2kmi s MET 66 Ca -0.11 0.92 -0.09 0.00 -1.03 0.00 0.00 55.69 55.38 2kmi s MET 66 Cb -0.16 0.54 0.07 0.00 -1.53 0.00 0.00 34.83 33.75 2kmi s MET 66 CO 0.06 -0.31 0.44 -1.64 -2.03 0.00 0.00 175.02 171.54 2kmi s MET 67 N 2.79 0.40 -0.11 3.16 -1.94 -1.19 -1.51 119.30 120.91 2kmi s MET 67 Ca 0.04 0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 54.93 2kmi s MET 67 Cb -0.11 0.10 0.03 0.00 2.01 0.00 0.00 34.83 36.85 2kmi s MET 67 CO -0.18 -0.18 -0.07 -0.06 -0.01 0.00 0.00 175.02 174.52 2kmi s PHE 68 N 1.77 1.43 0.01 -0.03 0.08 -0.88 -3.26 117.98 117.10 2kmi s PHE 68 Ca -0.07 -0.70 -0.04 0.00 0.12 0.00 0.00 56.93 56.23 2kmi s PHE 68 Cb -0.09 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.15 2kmi s PHE 68 CO -0.14 -0.50 0.07 0.08 -0.10 0.00 0.00 175.22 174.63 2kmi s VAL 69 N 1.73 0.10 -0.44 -0.44 1.01 -1.12 -0.75 120.40 120.48 2kmi s VAL 69 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2kmi s VAL 69 Cb -0.13 -0.37 0.23 0.00 0.00 0.00 0.00 36.38 36.11 2kmi s VAL 69 CO -0.08 -0.44 0.94 1.07 0.00 0.00 0.00 175.10 176.60 2kmi n THR 70 N 1.49 0.00 -3.86 3.92 5.66 -0.23 -1.84 114.28 119.42 2kmi n THR 70 Ca -0.23 -0.98 -0.11 0.00 -3.05 0.00 0.00 64.05 59.69 2kmi n THR 70 Cb 0.55 1.12 -0.01 0.00 -1.55 0.00 0.00 70.33 70.45 2kmi n THR 70 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2kmi n VAL 71 N 2.16 0.00 -3.67 1.08 0.24 -1.18 -2.58 118.33 114.38 2kmi n VAL 71 Ca 0.11 -1.25 -0.37 0.00 -2.04 0.00 0.00 64.34 60.78 2kmi n VAL 71 Cb 0.63 0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 33.78 2kmi n VAL 71 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kmi s SER 72 N -2.82 5.59 0.00 -1.34 1.04 -1.26 -2.09 113.70 112.82 2kmi s SER 72 Ca 0.20 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2kmi s SER 72 Cb -0.02 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2kmi s SER 72 CO 0.15 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2kmi n GLY 73 N 5.00 -1.35 2.57 7.32 0.00 -1.24 -2.36 105.19 115.13 2kmi n GLY 73 Ca -0.15 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2kmi n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmi n ASN 74 N 0.00 -1.97 -4.56 1.61 2.85 -0.93 -3.80 115.26 108.46 2kmi n ASN 74 Ca 0.00 -2.93 -0.32 0.00 -0.11 0.00 0.00 54.58 51.22 2kmi n ASN 74 Cb 0.00 0.88 -0.04 0.00 1.24 0.00 0.00 39.78 41.86 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kmi s PRO 75 N 0.21 2.58 -0.35 1.20 0.04 -1.26 -3.50 135.00 133.92 2kmi s PRO 75 Ca 0.32 0.13 0.13 0.00 0.04 0.00 0.00 61.00 61.63 2kmi s PRO 75 Cb 0.13 -4.75 0.42 0.00 0.04 0.00 0.00 34.50 30.33 2kmi s PRO 75 CO -0.16 -3.09 1.40 2.41 0.04 0.00 0.00 177.00 177.60 2kmi n THR 76 N 7.58 0.21 -0.06 1.26 -1.04 -1.26 -4.95 114.28 116.02 2kmi n THR 76 Ca 0.31 -1.51 0.24 0.00 -2.04 0.00 0.00 64.05 61.05 2kmi n THR 76 Cb 0.49 1.01 0.72 0.00 -1.82 0.00 0.00 70.33 70.73 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kmi h GLU 77 N 1.64 0.00 -0.34 -2.82 -0.00 -1.85 0.61 114.58 111.81 2kmi h GLU 77 Ca -0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 58.94 2kmi h GLU 77 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.03 2kmi h GLU 77 CO -0.06 0.00 -0.11 1.57 -0.00 0.00 0.00 179.01 180.40 2kmi h LYS 78 N 0.00 0.68 -0.26 1.06 5.09 -1.99 -2.66 116.57 118.50 2kmi h LYS 78 Ca 0.31 -0.28 -0.12 0.00 0.09 0.00 0.00 60.65 60.65 2kmi h LYS 78 Cb 1.33 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.62 2kmi h LYS 78 CO -0.00 0.86 -0.35 1.49 -2.09 0.00 0.00 179.45 179.36 2kmi h GLU 79 N 0.47 0.58 -0.66 0.07 4.81 -1.32 -3.08 114.58 115.44 2kmi h GLU 79 Ca 0.08 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2kmi h GLU 79 Cb 0.63 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2kmi h GLU 79 CO 0.04 0.85 0.40 1.79 -0.73 0.00 0.00 179.01 181.36 2kmi h THR 80 N 0.49 1.19 -0.55 0.32 1.35 -1.23 -2.70 112.91 111.78 2kmi h THR 80 Ca 0.05 -0.42 0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2kmi h THR 80 Cb 0.84 0.27 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2kmi h THR 80 CO 0.07 0.20 0.32 -0.08 -0.25 0.00 0.00 175.52 175.77 2kmi h GLU 81 N 0.90 0.60 -0.31 4.72 4.81 -1.39 -0.92 114.58 122.99 2kmi h GLU 81 Ca 0.24 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 2kmi h GLU 81 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2kmi h GLU 81 CO -0.05 0.40 0.35 1.49 -0.73 0.00 0.00 179.01 180.47 2kmi h GLU 82 N 0.62 0.00 -0.89 1.92 4.57 -1.43 0.01 114.58 119.38 2kmi h GLU 82 Ca 0.23 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 2kmi h GLU 82 Cb 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 2kmi h GLU 82 CO -0.12 0.00 0.48 0.82 -1.18 0.00 0.00 179.01 179.02 2kmi h ILE 83 N 0.00 1.26 -0.95 2.32 2.04 -1.10 -2.23 117.51 118.85 2kmi h ILE 83 Ca 0.15 -0.64 0.25 0.00 1.00 0.00 0.00 64.86 65.62 2kmi h ILE 83 Cb 0.84 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 2kmi h ILE 83 CO -0.00 0.29 0.65 0.00 0.00 0.00 0.00 178.15 179.09 2kmi h THR 84 N 1.24 0.58 0.41 -0.27 1.03 -1.07 0.91 112.91 115.74 2kmi h THR 84 Ca 0.31 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 66.61 2kmi h THR 84 Cb 0.03 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.44 2kmi h THR 84 CO -0.05 0.04 -0.20 0.28 -0.01 0.00 0.00 175.52 175.58 2kmi h SER 85 N 0.23 -0.47 -0.18 0.00 0.02 -1.53 -3.18 113.55 108.43 2kmi h SER 85 Ca 0.49 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.44 2kmi h SER 85 Cb 1.53 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 2kmi h SER 85 CO -0.13 -0.04 0.18 -0.07 -1.14 0.00 0.00 176.83 175.64 2kmi h LEU 86 N -1.08 0.00 -0.44 5.07 3.38 -1.35 -2.23 115.31 118.65 2kmi h LEU 86 Ca -0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.00 2kmi h LEU 86 Cb 0.50 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.17 2kmi h LEU 86 CO 0.09 0.00 -0.06 -0.25 0.09 0.00 0.00 178.44 178.31 2kmi h TRP 87 N 0.00 -0.15 -0.91 1.13 7.01 -0.83 0.43 115.95 122.64 2kmi h TRP 87 Ca 0.09 0.04 0.21 0.00 2.11 0.00 0.00 58.89 61.33 2kmi h TRP 87 Cb 0.45 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.57 2kmi h TRP 87 CO 0.00 -0.15 0.60 1.96 -2.79 0.00 0.00 178.44 178.06 2kmi h GLN 88 N 0.04 0.39 -0.88 2.65 4.20 -1.49 -0.06 115.11 119.96 2kmi h GLN 88 Ca 0.22 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.93 2kmi h GLN 88 Cb 0.33 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.97 2kmi h GLN 88 CO -0.42 0.26 0.58 0.78 -0.67 0.00 0.00 178.83 179.36 2kmi h GLY 89 N 0.40 1.27 2.00 3.46 0.00 -1.03 -1.64 103.07 107.53 2kmi h GLY 89 Ca 0.48 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2kmi h GLY 89 CO -0.18 0.40 -0.10 0.23 0.00 0.00 0.00 176.54 176.88 2kmi h SER 90 N 1.14 0.00 -0.59 0.19 0.87 -0.95 -2.69 113.55 111.51 2kmi h SER 90 Ca 0.34 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 61.02 2kmi h SER 90 Cb -0.04 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.83 2kmi h SER 90 CO -0.10 0.10 0.07 0.25 -0.53 0.00 0.00 176.83 176.62 2kmi h LEU 91 N 0.00 -0.11 -1.00 2.23 6.46 -1.23 0.14 115.31 121.79 2kmi h LEU 91 Ca -0.00 0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 2kmi h LEU 91 Cb 0.19 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2kmi h LEU 91 CO 0.01 -0.04 -0.49 0.15 -0.62 0.00 0.00 178.44 177.44 2kmi h PHE 92 N 0.19 0.00 0.70 1.25 3.57 -1.57 -3.28 116.94 117.81 2kmi h PHE 92 Ca 0.31 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 2kmi h PHE 92 Cb 0.48 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.23 2kmi h PHE 92 CO -0.29 0.49 -0.34 -0.97 -2.23 0.00 0.00 178.31 174.98 2kmi h ASN 93 N 0.00 -0.79 0.00 0.41 -1.24 -0.77 -3.44 115.58 109.74 2kmi h ASN 93 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2kmi h ASN 93 Cb 0.88 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.14 2kmi h ASN 93 CO 0.06 -0.41 0.00 0.00 -1.29 0.00 0.00 177.43 175.79 2kmi n ALA 94 N -2.71 2.32 0.00 1.57 0.00 -0.02 -1.62 120.51 120.05 2kmi n ALA 94 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2kmi n ALA 94 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2kmi n ALA 94 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kmi n ASN 95 N -1.48 0.00 -2.68 0.00 6.94 -1.23 -4.90 115.26 111.91 2kmi n ASN 95 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 2kmi n ASN 95 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2kmi n TYR 96 N 0.00 -4.03 -3.59 -2.53 4.01 -1.25 -4.94 117.16 104.82 2kmi n TYR 96 Ca 0.00 2.17 -0.39 0.00 -0.16 0.00 0.00 57.90 59.52 2kmi n TYR 96 Cb 0.00 -3.74 -0.07 0.00 -0.31 0.00 0.00 39.34 35.22 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2kmi s ASP 97 N -0.94 5.81 0.03 7.72 1.01 -1.25 -4.97 116.67 124.07 2kmi s ASP 97 Ca -0.18 -3.01 0.05 0.00 0.71 0.00 0.00 52.55 50.12 2kmi s ASP 97 Cb 0.01 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.96 2kmi s ASP 97 CO 0.74 -0.38 -0.14 -0.69 0.21 0.00 0.00 175.17 174.91 2kmi s VAL 98 N -0.29 1.11 0.03 -1.27 1.01 -1.26 -1.61 120.40 118.12 2kmi s VAL 98 Ca 0.20 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2kmi s VAL 98 Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2kmi s VAL 98 CO -0.06 0.03 -0.14 -1.58 0.00 0.00 0.00 175.10 173.34 2kmi s GLN 99 N -1.07 0.98 -0.09 2.72 0.74 0.84 -2.23 119.66 121.56 2kmi s GLN 99 Ca 0.02 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.70 2kmi s GLN 99 Cb -0.08 -0.99 0.02 0.00 1.10 0.00 0.00 33.01 33.06 2kmi s GLN 99 CO 0.01 0.25 -0.09 0.50 -0.55 0.00 0.00 175.29 175.41 2kmi s ARG 100 N -1.05 1.49 -0.00 1.67 6.06 -1.26 -2.96 118.95 122.90 2kmi s ARG 100 Ca 0.02 -0.29 0.00 0.00 -2.50 0.00 0.00 55.73 52.97 2kmi s ARG 100 Cb -0.08 -1.42 0.00 0.00 0.06 0.00 0.00 34.95 33.52 2kmi s ARG 100 CO 0.01 -0.13 -0.01 0.12 -2.50 0.00 0.00 175.30 172.79 2kmi s PHE 101 N 1.22 0.15 -0.07 5.12 5.36 -1.06 -4.18 117.98 124.51 2kmi s PHE 101 Ca -0.04 -0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 55.88 2kmi s PHE 101 Cb -0.14 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.45 2kmi s PHE 101 CO -0.03 -0.02 0.15 0.42 -1.46 0.00 0.00 175.22 174.29 2kmi s ILE 102 N 0.13 -0.14 -0.16 3.12 1.01 -1.26 -2.15 121.20 121.75 2kmi s ILE 102 Ca -0.01 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.83 2kmi s ILE 102 Cb -0.03 -0.26 0.07 0.00 0.01 0.00 0.00 42.46 42.25 2kmi s ILE 102 CO -0.00 0.11 0.36 0.54 0.00 0.00 0.00 174.94 175.94 2kmi s VAL 103 N 1.66 -0.38 0.00 2.92 0.11 -1.13 -5.05 120.40 118.54 2kmi s VAL 103 Ca -0.04 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2kmi s VAL 103 Cb -0.12 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2kmi s VAL 103 CO -0.06 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2kmi n GLY 104 N 5.01 1.08 0.78 6.54 0.00 -1.26 -3.11 105.19 114.24 2kmi n GLY 104 Ca -0.13 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.24 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 2.14 2.36 -4.19 1.61 7.64 -1.26 -4.86 113.62 117.06 2kmi n SER 105 Ca 0.00 -1.82 -0.26 0.00 1.01 0.00 0.00 58.87 57.80 2kmi n SER 105 Cb 0.00 -0.14 -0.16 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.59 2.30 0.10 6.43 -4.77 -1.18 -4.21 116.67 113.75 2kmi s ASP 106 Ca 0.34 -0.36 0.08 0.00 -3.30 0.00 0.00 52.55 49.32 2kmi s ASP 106 Cb 0.20 -0.38 -0.04 0.00 -1.09 0.00 0.00 42.92 41.61 2kmi s ASP 106 CO 0.29 0.22 -0.21 -0.13 0.70 0.00 0.00 175.17 176.03 2kmi s ARG 107 N -0.31 1.13 0.03 2.11 3.00 -0.89 -2.82 118.95 121.21 2kmi s ARG 107 Ca 0.04 -1.17 0.05 0.00 0.00 0.00 0.00 55.73 54.65 2kmi s ARG 107 Cb -0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 34.95 33.44 2kmi s ARG 107 CO 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 175.30 175.48 2kmi s ALA 108 N -1.16 1.27 0.02 2.13 0.00 -0.91 -3.12 121.76 119.99 2kmi s ALA 108 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2kmi s ALA 108 Cb -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2kmi s ALA 108 CO 0.04 0.26 -0.08 -1.50 0.00 0.00 0.00 175.76 174.48 2kmi s ILE 109 N -0.79 0.60 -0.04 0.00 2.07 -0.77 -2.56 121.20 119.72 2kmi s ILE 109 Ca 0.03 -0.72 -0.01 0.00 -1.41 0.00 0.00 60.65 58.53 2kmi s ILE 109 Cb -0.08 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2kmi s ILE 109 CO 0.01 -0.11 0.06 0.12 -1.91 0.00 0.00 174.94 173.12 2kmi s PHE 110 N -0.78 0.02 -0.06 3.50 5.36 -1.15 -2.80 117.98 122.08 2kmi s PHE 110 Ca -0.03 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.17 2kmi s PHE 110 Cb -0.06 -0.36 0.04 0.00 -0.34 0.00 0.00 43.02 42.29 2kmi s PHE 110 CO 0.00 -0.16 0.12 0.00 -1.46 0.00 0.00 175.22 173.72 2kmi s MET 111 N 1.76 0.06 -0.01 10.12 0.23 -1.20 -0.11 119.30 130.15 2kmi s MET 111 Ca -0.01 0.33 -0.16 0.00 -1.03 0.00 0.00 55.69 54.83 2kmi s MET 111 Cb -0.12 -0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.01 2kmi s MET 111 CO -0.03 -0.16 0.33 -1.17 -2.03 0.00 0.00 175.02 171.95 2kmi s LEU 112 N 1.13 0.77 0.39 0.18 1.98 -0.63 -3.13 118.68 119.37 2kmi s LEU 112 Ca -0.09 0.11 0.06 0.00 -2.89 0.00 0.00 54.13 51.32 2kmi s LEU 112 Cb -0.12 1.34 0.79 0.00 0.66 0.00 0.00 46.19 48.86 2kmi s LEU 112 CO -0.05 -0.46 2.01 0.08 -1.89 0.00 0.00 176.35 176.03 2kmi h ARG 113 N 3.80 0.53 0.00 1.98 0.11 -1.84 -3.33 114.38 115.63 2kmi h ARG 113 Ca -0.30 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2kmi h ARG 113 Cb 1.18 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2kmi h ARG 113 CO 0.40 0.41 0.00 -0.25 0.10 0.00 0.00 179.97 180.63 2kmi n ASP 114 N -4.42 0.00 0.00 0.08 9.92 -1.26 -3.83 116.55 117.04 2kmi n ASP 114 Ca 0.03 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 2kmi n ASP 114 Cb 0.11 -0.24 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 2kmi n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmi n GLY 115 N 2.24 2.43 0.31 0.44 0.00 -1.25 -4.78 105.19 104.59 2kmi n GLY 115 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 0.90 0.57 1.61 0.87 -1.96 0.25 113.55 115.80 2kmi h SER 116 Ca 0.00 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2kmi h SER 116 Cb 0.00 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2kmi h SER 116 CO 0.00 0.88 -0.35 0.22 -0.53 0.00 0.00 176.83 177.05 2kmi h TYR 117 N 0.92 -0.93 0.00 2.24 3.20 -2.00 -2.78 116.97 117.62 2kmi h TYR 117 Ca 0.20 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 2kmi h TYR 117 Cb 0.34 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2kmi h TYR 117 CO 0.02 -0.53 -0.48 0.00 -1.64 0.00 0.00 178.16 175.53 2kmi h ALA 118 N -0.52 1.16 -0.97 1.82 0.00 -1.93 -3.00 119.26 115.83 2kmi h ALA 118 Ca -0.07 -0.43 0.26 0.00 0.00 0.00 0.00 54.91 54.67 2kmi h ALA 118 Cb 0.71 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2kmi h ALA 118 CO 0.07 0.60 0.67 2.35 0.00 0.00 0.00 179.25 182.94 2kmi h TRP 119 N 0.00 0.26 0.14 0.00 2.91 -0.22 0.29 115.95 119.34 2kmi h TRP 119 Ca -0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2kmi h TRP 119 Cb 0.87 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 2kmi h TRP 119 CO 0.00 0.05 -0.07 1.49 -1.03 0.00 0.00 178.44 178.88 2kmi h GLU 120 N 0.18 -0.18 0.44 2.65 4.81 -1.43 -2.34 114.58 118.71 2kmi h GLU 120 Ca 0.49 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.71 2kmi h GLU 120 Cb 1.62 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2kmi h GLU 120 CO -0.11 0.25 -0.21 0.82 -0.73 0.00 0.00 179.01 179.03 2kmi h ILE 121 N -0.70 0.52 -0.79 2.32 1.08 -1.32 -2.82 117.51 115.81 2kmi h ILE 121 Ca -0.02 -0.35 0.23 0.00 -0.39 0.00 0.00 64.86 64.33 2kmi h ILE 121 Cb 0.51 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 2kmi h ILE 121 CO 0.03 0.06 0.58 0.07 -0.69 0.00 0.00 178.15 178.20 2kmi h LYS 122 N -0.81 0.00 0.01 2.37 5.09 -0.62 -1.80 116.57 120.81 2kmi h LYS 122 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 60.65 60.71 2kmi h LYS 122 Cb 0.55 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.83 2kmi h LYS 122 CO 0.10 0.00 -0.43 0.22 -2.09 0.00 0.00 179.45 177.25 2kmi h ASP 123 N 0.00 -1.30 0.51 7.07 1.82 -1.14 0.23 116.42 123.61 2kmi h ASP 123 Ca 0.37 0.16 -0.11 0.00 -0.39 0.00 0.00 57.03 57.07 2kmi h ASP 123 Cb 1.52 0.51 -0.02 0.00 0.68 0.00 0.00 39.33 42.03 2kmi h ASP 123 CO -0.00 -0.47 -0.50 -0.26 -1.61 0.00 0.00 179.24 176.40 2kmi h PHE 124 N -0.59 0.00 0.87 0.28 -1.00 -1.42 -2.73 116.94 112.35 2kmi h PHE 124 Ca 0.04 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 2kmi h PHE 124 Cb 0.66 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.23 2kmi h PHE 124 CO -0.43 0.50 -0.42 1.25 -1.61 0.00 0.00 178.31 177.60 2kmi h LEU 125 N 0.00 -0.99 -1.92 1.54 7.12 -0.76 -2.94 115.31 117.35 2kmi h LEU 125 Ca -0.01 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.10 2kmi h LEU 125 Cb 0.89 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 41.26 2kmi h LEU 125 CO 0.07 -0.64 0.20 -0.37 -0.13 0.00 0.00 178.44 177.56 2kmi h VAL 126 N -1.30 0.91 -0.52 1.05 -1.51 -0.62 -0.92 116.25 113.34 2kmi h VAL 126 Ca -0.12 -0.03 0.15 0.00 -1.23 0.00 0.00 66.70 65.47 2kmi h VAL 126 Cb 0.90 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 2kmi h VAL 126 CO 0.20 0.02 0.37 -1.28 -1.23 0.00 0.00 177.57 175.65 2kmi h SER 127 N 0.09 0.00 0.06 4.19 0.87 -1.30 0.14 113.55 117.61 2kmi h SER 127 Ca 0.13 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2kmi h SER 127 Cb 0.40 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2kmi h SER 127 CO -0.01 0.00 -0.20 1.56 -0.53 0.00 0.00 176.83 177.64 2kmi h GLN 128 N 0.00 0.27 -1.81 2.24 4.20 -1.14 -3.46 115.11 115.40 2kmi h GLN 128 Ca 0.25 -0.08 -0.35 0.00 0.06 0.00 0.00 58.65 58.53 2kmi h GLN 128 Cb 0.99 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.68 2kmi h GLN 128 CO -0.00 0.47 -0.39 -3.47 -0.67 0.00 0.00 178.83 174.76 2kmi n ASP 129 N -4.20 -5.08 -2.73 1.46 2.03 0.49 -4.89 116.55 103.63 2kmi n ASP 129 Ca -0.01 0.16 -0.05 0.00 0.52 0.00 0.00 54.79 55.41 2kmi n ASP 129 Cb 0.33 -4.14 0.04 0.00 -0.72 0.00 0.00 41.12 36.62 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kmi n ARG 130 N -2.60 0.49 -3.75 -0.67 0.63 -1.07 -4.69 116.66 105.01 2kmi n ARG 130 Ca -0.19 -1.52 -0.13 0.00 -0.92 0.00 0.00 57.85 55.09 2kmi n ARG 130 Cb 0.62 -1.02 -0.09 0.00 0.45 0.00 0.00 32.46 32.42 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 -0.58 0.46 -0.05 0.00 0.00 -1.26 -1.07 121.76 119.26 2kmi s ALA 132 Ca -0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 2kmi s ALA 132 Cb -0.04 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.16 2kmi s ALA 132 CO 0.03 -0.98 0.24 -1.21 0.00 0.00 0.00 175.76 173.84 2kmi s GLU 133 N 2.11 0.44 -0.15 0.00 2.02 0.07 -3.84 118.70 119.35 2kmi s GLU 133 Ca 0.02 0.04 -0.09 0.00 0.02 0.00 0.00 54.97 54.96 2kmi s GLU 133 Cb -0.15 0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.33 2kmi s GLU 133 CO -0.07 -0.09 0.36 0.54 0.02 0.00 0.00 175.26 176.02 2kmi s VAL 134 N -0.60 -0.02 -0.09 2.63 0.11 0.46 -2.07 120.40 120.81 2kmi s VAL 134 Ca -0.07 0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 2kmi s VAL 134 Cb -0.04 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 2kmi s VAL 134 CO 0.02 0.03 0.18 0.42 -3.33 0.00 0.00 175.10 172.42 2kmi s THR 135 N 1.06 -0.29 0.06 5.04 -4.23 -0.57 -3.57 115.64 113.14 2kmi s THR 135 Ca -0.07 0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 2kmi s THR 135 Cb -0.07 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 2kmi s THR 135 CO -0.08 0.14 -0.11 -1.48 -0.54 0.00 0.00 174.62 172.55 2kmi s LEU 136 N 2.32 2.27 -0.30 4.79 0.05 -1.26 -3.13 118.68 123.42 2kmi s LEU 136 Ca 0.03 -0.58 -0.04 0.00 0.05 0.00 0.00 54.13 53.58 2kmi s LEU 136 Cb -0.12 -0.33 0.19 0.00 -2.05 0.00 0.00 46.19 43.88 2kmi s LEU 136 CO -0.06 -0.14 0.84 -0.70 -0.55 0.00 0.00 176.35 175.74 2kmi s GLU 137 N -1.67 0.33 -0.35 1.48 2.56 -1.24 -4.97 118.70 114.85 2kmi s GLU 137 Ca -0.06 0.39 0.02 0.00 0.00 0.00 0.00 54.97 55.31 2kmi s GLU 137 Cb -0.10 0.19 0.41 0.00 2.00 0.00 0.00 34.13 36.63 2kmi s GLU 137 CO 0.01 -0.57 1.74 0.41 -0.56 0.00 0.00 175.26 176.29 2kmi n GLY 138 N 5.29 4.01 3.52 -1.50 0.00 -1.26 -1.85 105.19 113.39 2kmi n GLY 138 Ca 0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 2kmi n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kmi s GLN 139 N -2.34 1.07 0.00 1.61 -1.52 -0.27 -4.62 119.66 113.59 2kmi s GLN 139 Ca 0.40 0.23 0.00 0.00 -1.95 0.00 0.00 55.36 54.04 2kmi s GLN 139 Cb 0.33 0.50 0.00 0.00 -0.22 0.00 0.00 33.01 33.62 2kmi s GLN 139 CO 0.05 -0.34 0.00 -1.33 -0.25 0.00 0.00 175.29 173.42 2kmi n MET 140 N 0.86 0.00 -0.84 2.91 2.81 -1.26 -4.78 117.12 116.82 2kmi n MET 140 Ca -0.19 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.37 2kmi n MET 140 Cb 0.57 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.19 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 0.00 -2.30 -0.52 2.03 4.02 -1.09 -3.02 117.16 116.28 2kmi n TYR 141 Ca 0.00 0.17 -0.02 0.00 -0.01 0.00 0.00 57.90 58.04 2kmi n TYR 141 Cb 0.00 -1.70 0.02 0.00 -0.02 0.00 0.00 39.34 37.63 2kmi n TYR 141 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kmi n PRO 142 N -0.76 -1.15 0.00 -0.72 -0.04 -1.26 -3.13 135.00 127.93 2kmi n PRO 142 Ca 0.05 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2kmi n PRO 142 Cb 0.54 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 2kmi n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kmi n GLY 143 N 2.01 0.37 0.19 0.55 0.00 -1.25 -0.65 105.19 106.40 2kmi n GLY 143 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2kmi n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmi h LYS 144 N 0.00 0.00 0.00 1.61 1.79 -1.77 -3.34 116.57 114.87 2kmi h LYS 144 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2kmi h LYS 144 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2kmi h LYS 144 CO 0.00 0.20 0.00 0.41 -1.08 0.00 0.00 179.45 178.98