#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 0.16 2.89 4.01 -1.26 -4.94 118.16 119.02 2kmi n LYS 2 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.83 2kmi n LYS 2 Cb 0.00 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 34.69 2kmi n LYS 2 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2kmi h LYS 3 N 0.00 0.00 -1.59 1.97 6.56 -1.98 -3.25 116.57 118.28 2kmi h LYS 3 Ca 0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.10 2kmi h LYS 3 Cb 0.00 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 31.47 2kmi h LYS 3 CO 0.00 0.48 0.57 1.17 -2.06 0.00 0.00 179.45 179.61 2kmi n LYS 4 N -3.38 2.25 -1.41 3.15 4.81 -1.26 -0.11 118.16 122.21 2kmi n LYS 4 Ca 0.01 -2.33 -0.27 0.00 -0.87 0.00 0.00 58.31 54.85 2kmi n LYS 4 Cb 0.64 -1.97 -0.08 0.00 0.02 0.00 0.00 35.03 33.64 2kmi n LYS 4 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kmi n ASP 5 N 0.14 6.74 -4.77 3.14 9.92 -1.22 -4.95 116.55 125.55 2kmi n ASP 5 Ca 0.45 -2.88 -0.32 0.00 -0.53 0.00 0.00 54.79 51.51 2kmi n ASP 5 Cb 0.55 -1.36 0.07 0.00 -0.64 0.00 0.00 41.12 39.74 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2kmi s ILE 6 N -0.40 3.24 -0.42 0.53 -4.36 -1.26 -4.71 121.20 113.83 2kmi s ILE 6 Ca 0.62 0.48 0.01 0.00 -0.26 0.00 0.00 60.65 61.51 2kmi s ILE 6 Cb 0.30 -2.98 0.46 0.00 1.25 0.00 0.00 42.46 41.48 2kmi s ILE 6 CO -0.11 -0.45 1.84 0.54 0.24 0.00 0.00 174.94 177.00 2kmi n ARG 7 N -3.02 2.11 -3.29 0.37 5.12 -1.26 -4.84 116.66 111.84 2kmi n ARG 7 Ca 0.10 -2.43 -0.16 0.00 -1.93 0.00 0.00 57.85 53.43 2kmi n ARG 7 Cb 0.52 -1.95 0.08 0.00 -1.16 0.00 0.00 32.46 29.95 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kmi n ASP 8 N -0.63 -2.90 -3.37 0.55 8.00 -1.26 -2.38 116.55 114.56 2kmi n ASP 8 Ca 0.48 -0.52 -0.24 0.00 0.71 0.00 0.00 54.79 55.21 2kmi n ASP 8 Cb 1.11 -4.49 0.02 0.00 -0.02 0.00 0.00 41.12 37.75 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 -3.93 -2.05 0.00 1.24 4.02 -1.26 -4.90 117.16 110.27 2kmi n TYR 9 Ca -0.19 0.62 0.00 0.00 -0.01 0.00 0.00 57.90 58.32 2kmi n TYR 9 Cb 0.63 -3.89 0.00 0.00 -0.02 0.00 0.00 39.34 36.05 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kmi n ASN 10 N -2.55 0.00 -2.67 7.72 5.15 -1.00 -5.03 115.26 116.88 2kmi n ASN 10 Ca -0.04 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.90 2kmi n ASN 10 Cb 0.57 -0.22 0.10 0.00 -0.53 0.00 0.00 39.78 39.70 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kmi n ASP 11 N -1.95 -1.36 0.23 1.20 -0.08 -1.26 -5.00 116.55 108.32 2kmi n ASP 11 Ca 0.00 -2.08 0.10 0.00 -1.51 0.00 0.00 54.79 51.31 2kmi n ASP 11 Cb 0.00 1.23 0.51 0.00 2.34 0.00 0.00 41.12 45.20 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmi h ALA 12 N 2.14 1.07 -0.24 -1.67 0.00 -1.94 -2.87 119.26 115.75 2kmi h ALA 12 Ca -0.32 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.47 2kmi h ALA 12 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kmi h ALA 12 CO -0.01 0.26 0.26 0.38 0.00 0.00 0.00 179.25 180.15 2kmi h ASP 13 N 0.00 0.00 0.83 0.00 3.04 -1.94 0.29 116.42 118.64 2kmi h ASP 13 Ca -0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2kmi h ASP 13 Cb 0.67 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2kmi h ASP 13 CO 0.03 0.00 -0.05 0.24 -2.04 0.00 0.00 179.24 177.42 2kmi h MET 14 N 0.00 0.00 0.00 4.15 2.86 -1.72 -2.45 114.93 117.76 2kmi h MET 14 Ca 0.11 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2kmi h MET 14 Cb 0.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2kmi h MET 14 CO -0.00 0.05 -0.21 0.00 1.06 0.00 0.00 176.91 177.81 2kmi h ALA 15 N 1.95 1.08 -0.67 6.32 0.00 -0.61 -2.95 119.26 124.38 2kmi h ALA 15 Ca -0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2kmi h ALA 15 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2kmi h ALA 15 CO 0.01 0.26 0.54 0.00 0.00 0.00 0.00 179.25 180.05 2kmi h ARG 16 N 0.00 0.00 -0.67 0.00 -0.00 -1.55 0.93 114.38 113.09 2kmi h ARG 16 Ca -0.00 0.00 0.20 0.00 -0.50 0.00 0.00 59.98 59.67 2kmi h ARG 16 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.59 2kmi h ARG 16 CO 0.03 0.00 0.55 1.37 0.00 0.00 0.00 179.97 181.92 2kmi h LEU 17 N 0.00 0.00 -1.13 3.04 8.10 -1.73 0.14 115.31 123.73 2kmi h LEU 17 Ca 0.32 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.50 2kmi h LEU 17 Cb 1.39 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.52 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 0.70 -1.99 0.17 3.38 -1.06 0.24 115.31 116.74 2kmi h LEU 18 Ca 0.32 0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.61 2kmi h LEU 18 Cb 1.42 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2kmi h LEU 18 CO -0.00 0.25 0.59 -0.08 0.09 0.00 0.00 178.44 179.29 2kmi h GLU 19 N 0.68 0.00 -0.44 1.13 4.22 -1.17 0.20 114.58 119.20 2kmi h GLU 19 Ca 0.55 0.00 0.13 0.00 0.08 0.00 0.00 59.36 60.12 2kmi h GLU 19 Cb 0.97 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2kmi h GLU 19 CO -0.33 0.00 0.41 0.37 -2.18 0.00 0.00 179.01 177.29 2kmi h GLN 20 N 0.00 0.00 -1.00 1.92 4.15 -0.70 -0.73 115.11 118.74 2kmi h GLN 20 Ca 0.38 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.98 2kmi h GLN 20 Cb 1.56 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 29.15 2kmi h GLN 20 CO -0.00 0.00 0.61 2.35 -1.93 0.00 0.00 178.83 179.86 2kmi h TRP 21 N 0.00 1.08 0.17 3.99 2.91 -0.76 -2.94 115.95 120.40 2kmi h TRP 21 Ca 0.21 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 2kmi h TRP 21 Cb 1.04 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.36 2kmi h TRP 21 CO 0.00 0.26 -0.08 1.49 -1.03 0.00 0.00 178.44 179.08 2kmi h GLU 22 N 0.80 -0.22 -2.28 2.65 4.57 -1.33 -3.47 114.58 115.30 2kmi h GLU 22 Ca 0.57 0.02 -0.42 0.00 -1.18 0.00 0.00 59.36 58.35 2kmi h GLU 22 Cb 0.84 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.41 2kmi h GLU 22 CO -0.37 -0.15 -0.48 1.17 -1.18 0.00 0.00 179.01 178.00 2kmi n LYS 23 N -2.90 -1.58 0.15 1.92 4.81 -1.11 -4.85 118.16 114.59 2kmi n LYS 23 Ca -0.03 1.09 0.02 0.00 -0.87 0.00 0.00 58.31 58.51 2kmi n LYS 23 Cb 0.09 -5.65 0.18 0.00 0.02 0.00 0.00 35.03 29.68 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 -5.90 3.14 3.32 -1.84 -3.47 116.42 111.67 2kmi h ASP 24 Ca -0.47 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.17 2kmi h ASP 24 Cb 1.36 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.03 2kmi h ASP 24 CO 0.60 0.55 -0.70 -0.67 -1.72 0.00 0.00 179.24 177.29 2kmi n ASP 25 N -3.54 -5.81 0.05 6.45 2.03 -1.24 -4.85 116.55 109.64 2kmi n ASP 25 Ca -0.00 -0.58 0.19 0.00 0.52 0.00 0.00 54.79 54.92 2kmi n ASP 25 Cb 0.63 -4.87 0.71 0.00 -0.72 0.00 0.00 41.12 36.87 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kmi h ASP 26 N -2.56 0.00 -3.39 1.67 1.82 -1.70 -3.40 116.42 108.85 2kmi h ASP 26 Ca -0.57 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.39 2kmi h ASP 26 Cb 1.37 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.23 2kmi h ASP 26 CO 0.57 0.00 -0.64 -0.63 -1.61 0.00 0.00 179.24 176.93 2kmi s ILE 27 N -4.94 4.13 -0.00 2.25 -1.09 -1.26 -5.00 121.20 115.29 2kmi s ILE 27 Ca -0.05 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 2kmi s ILE 27 Cb 0.19 -2.79 -0.00 0.00 -1.58 0.00 0.00 42.46 38.27 2kmi s ILE 27 CO 0.69 0.47 -0.00 -1.84 -1.23 0.00 0.00 174.94 173.03 2kmi n GLU 28 N 1.72 2.87 -1.28 2.79 0.28 -1.26 -5.02 120.64 120.75 2kmi n GLU 28 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.74 2kmi n GLU 28 Cb 0.53 -1.00 0.05 0.00 1.43 0.00 0.00 31.44 32.45 2kmi n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2kmi n GLU 29 N -2.15 0.17 0.00 3.44 2.13 -1.26 -4.90 120.64 118.07 2kmi n GLU 29 Ca -0.00 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.78 2kmi n GLU 29 Cb 0.50 -0.32 0.00 0.00 0.27 0.00 0.00 31.44 31.89 2kmi n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kmi n GLY 30 N 1.84 1.22 3.83 8.31 0.00 -1.26 -4.88 105.19 114.26 2kmi n GLY 30 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 6.71 0.18 1.61 1.11 -1.26 -4.39 116.67 118.62 2kmi s ASP 31 Ca 0.00 0.85 0.05 0.00 0.18 0.00 0.00 52.55 53.63 2kmi s ASP 31 Cb 0.00 -2.22 -0.05 0.00 1.07 0.00 0.00 42.92 41.73 2kmi s ASP 31 CO 0.00 0.31 -0.10 -0.76 1.18 0.00 0.00 175.17 175.80 2kmi s LEU 32 N -0.91 2.51 -0.68 1.23 1.02 -1.26 -5.06 118.68 115.52 2kmi s LEU 32 Ca 0.22 -1.04 -0.26 0.00 0.02 0.00 0.00 54.13 53.07 2kmi s LEU 32 Cb -0.16 -0.45 -0.03 0.00 0.02 0.00 0.00 46.19 45.58 2kmi s LEU 32 CO 0.11 -0.30 1.89 -2.16 0.02 0.00 0.00 176.35 175.91 2kmi s PRO 33 N -3.72 2.60 -0.26 1.29 0.04 -1.26 -4.91 135.00 128.78 2kmi s PRO 33 Ca 0.20 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.62 2kmi s PRO 33 Cb 0.02 -4.55 0.11 0.00 0.04 0.00 0.00 34.50 30.12 2kmi s PRO 33 CO 0.04 -2.89 0.23 -1.83 0.04 0.00 0.00 177.00 172.58 2kmi s GLU 34 N 7.05 0.25 0.00 4.56 -1.05 -1.26 -4.89 118.70 123.36 2kmi s GLU 34 Ca 0.68 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 2kmi s GLU 34 Cb -0.11 -0.97 0.00 0.00 -0.44 0.00 0.00 34.13 32.61 2kmi s GLU 34 CO 0.16 -0.90 0.00 -2.39 0.95 0.00 0.00 175.26 173.07 2kmi n HIS 35 N 5.30 0.00 -3.25 4.83 1.44 -1.26 -5.06 115.22 117.22 2kmi n HIS 35 Ca -0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.71 2kmi n HIS 35 Cb 0.46 0.40 -0.03 0.00 0.12 0.00 0.00 29.99 30.94 2kmi n HIS 35 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2kmi s LYS 36 N -1.97 0.23 0.29 -1.40 2.47 -1.26 -4.70 119.74 113.40 2kmi s LYS 36 Ca 0.00 0.49 0.11 0.00 -1.56 0.00 0.00 55.97 55.01 2kmi s LYS 36 Cb 0.00 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.61 2kmi s LYS 36 CO 0.00 -0.16 -0.16 1.03 0.16 0.00 0.00 175.35 176.22 2kmi s ARG 37 N 2.65 1.78 0.87 4.03 0.52 -1.26 -4.85 118.95 122.69 2kmi s ARG 37 Ca -0.00 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 53.35 2kmi s ARG 37 Cb -0.08 -1.82 0.11 0.00 0.52 0.00 0.00 34.95 33.69 2kmi s ARG 37 CO -0.15 0.31 1.09 -1.25 0.02 0.00 0.00 175.30 175.33 2kmi s PRO 38 N -3.55 1.50 -0.21 3.54 0.04 -1.26 -4.33 135.00 130.74 2kmi s PRO 38 Ca 0.31 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 2kmi s PRO 38 Cb -0.04 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 2kmi s PRO 38 CO 0.16 -2.09 0.18 -1.12 0.04 0.00 0.00 177.00 174.16 2kmi s SER 39 N -3.42 6.23 0.16 6.66 0.01 -1.26 -4.79 113.70 117.29 2kmi s SER 39 Ca 0.63 0.25 -0.23 0.00 1.31 0.00 0.00 55.95 57.91 2kmi s SER 39 Cb -0.18 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.00 2kmi s SER 39 CO 0.57 0.12 0.60 0.00 0.41 0.00 0.00 173.24 174.93 2kmi s ALA 40 N 0.64 -1.56 0.45 1.44 0.00 -1.24 -4.92 121.76 116.55 2kmi s ALA 40 Ca 0.10 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.27 2kmi s ALA 40 Cb -0.12 0.88 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 2kmi s ALA 40 CO 0.01 -0.78 1.17 -1.25 0.00 0.00 0.00 175.76 174.92 2kmi s PRO 41 N -3.76 3.82 -0.07 0.00 0.04 -1.26 -4.68 135.00 129.09 2kmi s PRO 41 Ca 0.01 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 2kmi s PRO 41 Cb -0.01 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 32.09 2kmi s PRO 41 CO -0.12 -0.51 -0.02 -1.50 0.04 0.00 0.00 177.00 174.89 2kmi s ILE 42 N -1.52 0.46 0.10 0.56 1.10 -1.26 -5.01 121.20 115.64 2kmi s ILE 42 Ca 0.62 0.02 -0.08 0.00 -0.51 0.00 0.00 60.65 60.70 2kmi s ILE 42 Cb -0.29 -0.57 -0.00 0.00 0.15 0.00 0.00 42.46 41.74 2kmi s ILE 42 CO 0.36 0.26 0.20 -0.62 -2.11 0.00 0.00 174.94 173.02 2kmi s ASP 43 N 1.64 0.12 0.25 4.50 2.15 -1.26 -4.13 116.67 119.93 2kmi s ASP 43 Ca 0.00 -0.71 -0.03 0.00 0.43 0.00 0.00 52.55 52.24 2kmi s ASP 43 Cb -0.13 0.35 0.48 0.00 -0.30 0.00 0.00 42.92 43.32 2kmi s ASP 43 CO -0.04 -0.76 1.75 0.15 -0.17 0.00 0.00 175.17 176.11 2kmi h PHE 44 N 2.73 0.65 -0.09 -5.34 3.04 -1.88 -3.30 116.94 112.74 2kmi h PHE 44 Ca -0.34 0.03 -0.18 0.00 3.98 0.00 0.00 57.97 61.47 2kmi h PHE 44 Cb 1.20 -0.17 -0.26 0.00 2.56 0.00 0.00 35.95 39.29 2kmi h PHE 44 CO 0.42 0.14 -0.65 0.45 -2.02 0.00 0.00 178.31 176.66 2kmi n SER 45 N -4.92 -0.08 -1.42 0.41 2.88 -1.26 -5.10 113.62 104.12 2kmi n SER 45 Ca 0.15 -2.06 0.18 0.00 -1.33 0.00 0.00 58.87 55.82 2kmi n SER 45 Cb 0.41 0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kmi n LYS 46 N -0.39 -3.07 -3.61 -1.46 4.76 -1.25 -5.02 118.16 108.12 2kmi n LYS 46 Ca -0.10 2.28 -0.14 0.00 -2.87 0.00 0.00 58.31 57.49 2kmi n LYS 46 Cb 0.88 -3.67 -0.07 0.00 -1.84 0.00 0.00 35.03 30.33 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2kmi s LEU 47 N -7.20 -0.64 -0.69 -0.35 2.34 -1.26 -5.01 118.68 105.88 2kmi s LEU 47 Ca 0.00 1.10 0.05 0.00 0.06 0.00 0.00 54.13 55.34 2kmi s LEU 47 Cb 0.00 2.32 0.26 0.00 -0.56 0.00 0.00 46.19 48.21 2kmi s LEU 47 CO 0.00 -0.31 0.85 0.47 -1.06 0.00 0.00 176.35 176.30 2kmi n ASP 48 N 2.08 4.14 0.00 1.48 8.00 -1.26 -4.87 116.55 126.13 2kmi n ASP 48 Ca -0.14 -3.47 -0.07 0.00 0.71 0.00 0.00 54.79 51.82 2kmi n ASP 48 Cb 0.56 -0.73 0.11 0.00 -0.02 0.00 0.00 41.12 41.04 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 4.22 0.53 0.00 -0.24 0.13 -2.06 -3.47 132.00 131.11 2kmi h PRO 49 Ca 0.20 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2kmi h PRO 49 Cb 0.64 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2kmi h PRO 49 CO 0.89 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.93 2kmi n GLY 50 N 0.01 1.00 3.43 1.56 0.00 -1.26 -5.07 105.19 104.86 2kmi n GLY 50 Ca -0.02 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2kmi n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kmi n LYS 51 N -2.01 0.02 -1.81 1.61 2.85 -1.26 -4.94 118.16 112.61 2kmi n LYS 51 Ca 0.00 0.05 -0.33 0.00 -1.05 0.00 0.00 58.31 56.98 2kmi n LYS 51 Cb 0.00 -1.83 0.04 0.00 -0.65 0.00 0.00 35.03 32.60 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kmi s PRO 52 N -3.17 2.86 0.42 -1.58 0.04 -1.26 -4.94 135.00 127.37 2kmi s PRO 52 Ca 0.61 1.42 0.22 0.00 0.04 0.00 0.00 61.00 63.28 2kmi s PRO 52 Cb -0.28 -1.96 0.89 0.00 0.04 0.00 0.00 34.50 33.20 2kmi s PRO 52 CO 0.63 -1.21 1.83 0.93 0.04 0.00 0.00 177.00 179.22 2kmi h GLU 53 N 0.16 0.00 -0.78 4.56 4.39 -2.03 -2.97 114.58 117.91 2kmi h GLU 53 Ca -0.47 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.46 2kmi h GLU 53 Cb 1.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2kmi h GLU 53 CO 0.54 0.28 0.56 0.77 -1.16 0.00 0.00 179.01 180.01 2kmi h SER 54 N 0.00 0.00 -0.55 1.42 0.02 -2.00 -0.91 113.55 111.54 2kmi h SER 54 Ca -0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 2kmi h SER 54 Cb 0.74 -0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.19 2kmi h SER 54 CO 0.04 0.00 0.06 0.40 -1.14 0.00 0.00 176.83 176.19 2kmi h ILE 55 N 0.00 0.62 -0.07 3.27 1.08 -1.90 0.89 117.51 121.40 2kmi h ILE 55 Ca 0.37 -0.06 -0.10 0.00 -0.39 0.00 0.00 64.86 64.68 2kmi h ILE 55 Cb 1.49 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 2kmi h ILE 55 CO -0.01 0.03 -0.42 0.25 -0.69 0.00 0.00 178.15 177.32 2kmi h LEU 56 N 0.18 0.16 0.03 1.44 7.12 -1.33 -3.00 115.31 119.90 2kmi h LEU 56 Ca 0.28 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 2kmi h LEU 56 Cb 0.42 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2kmi h LEU 56 CO -0.41 0.56 -0.02 0.50 -0.13 0.00 0.00 178.44 178.94 2kmi h LYS 57 N 0.13 -0.04 0.28 1.25 3.64 -0.90 -3.28 116.57 117.64 2kmi h LYS 57 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kmi h LYS 57 Cb 0.80 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2kmi h LYS 57 CO 0.06 0.25 -0.51 1.98 -2.27 0.00 0.00 179.45 178.96 2kmi h MET 58 N -0.34 -0.82 -4.49 1.90 4.05 -0.89 -3.45 114.93 110.90 2kmi h MET 58 Ca -0.00 0.06 -0.19 0.00 -0.28 0.00 0.00 59.70 59.28 2kmi h MET 58 Cb 0.31 0.19 -0.15 0.00 -0.80 0.00 0.00 31.60 31.15 2kmi h MET 58 CO 0.01 -0.55 -0.67 0.95 0.23 0.00 0.00 176.91 176.88 2kmi s THR 59 N -5.83 0.37 -0.58 -0.77 -4.23 -1.14 -5.09 115.64 98.37 2kmi s THR 59 Ca -0.17 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 2kmi s THR 59 Cb 0.06 -1.82 0.30 0.00 1.34 0.00 0.00 72.50 72.37 2kmi s THR 59 CO 0.61 -0.72 0.82 0.29 -0.54 0.00 0.00 174.62 175.09 2kmi n LYS 60 N -0.05 2.63 -1.61 3.99 5.02 -1.26 -4.21 118.16 122.68 2kmi n LYS 60 Ca -0.10 -4.59 -0.42 0.00 -2.02 0.00 0.00 58.31 51.18 2kmi n LYS 60 Cb 0.62 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 2kmi n LYS 60 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kmi n LYS 61 N 0.37 1.40 -2.32 1.97 4.01 -1.26 -4.70 118.16 117.63 2kmi n LYS 61 Ca 0.30 0.50 -0.02 0.00 -0.51 0.00 0.00 58.31 58.57 2kmi n LYS 61 Cb 0.43 -1.99 0.07 0.00 -0.51 0.00 0.00 35.03 33.02 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kmi n GLY 62 N 1.17 0.60 3.72 0.72 0.00 0.39 -3.73 105.19 108.07 2kmi n GLY 62 Ca 0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2kmi n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmi s LYS 63 N 0.09 2.57 0.18 1.61 2.20 -1.17 -4.31 119.74 120.90 2kmi s LYS 63 Ca 0.07 -1.25 0.07 0.00 -0.36 0.00 0.00 55.97 54.50 2kmi s LYS 63 Cb 0.25 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 2kmi s LYS 63 CO -0.07 0.38 -0.15 0.95 -0.36 0.00 0.00 175.35 176.11 2kmi s THR 64 N -2.23 1.62 -0.15 3.43 -4.23 -1.14 -4.46 115.64 108.48 2kmi s THR 64 Ca 0.32 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2kmi s THR 64 Cb -0.07 -1.89 0.03 0.00 1.34 0.00 0.00 72.50 71.91 2kmi s THR 64 CO 0.22 -0.52 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.44 2kmi s LEU 65 N -3.01 1.68 -0.30 4.79 0.20 -1.26 -4.63 118.68 116.15 2kmi s LEU 65 Ca 0.18 -0.51 -0.13 0.00 0.69 0.00 0.00 54.13 54.35 2kmi s LEU 65 Cb -0.02 -1.12 0.15 0.00 -0.43 0.00 0.00 46.19 44.76 2kmi s LEU 65 CO 0.05 -0.08 0.86 -0.32 -0.29 0.00 0.00 176.35 176.57 2kmi s MET 66 N 1.52 0.42 -0.21 1.98 1.75 -1.20 -4.05 119.30 119.51 2kmi s MET 66 Ca 0.04 1.00 -0.19 0.00 -1.25 0.00 0.00 55.69 55.30 2kmi s MET 66 Cb -0.13 0.56 0.05 0.00 2.84 0.00 0.00 34.83 38.15 2kmi s MET 66 CO -0.10 -0.14 0.55 1.41 -0.65 0.00 0.00 175.02 176.10 2kmi s MET 67 N 2.50 0.64 -0.11 4.11 0.00 -1.20 -1.95 119.30 123.29 2kmi s MET 67 Ca -0.05 0.78 -0.04 0.00 0.00 0.00 0.00 55.69 56.39 2kmi s MET 67 Cb -0.08 0.30 0.06 0.00 0.00 0.00 0.00 34.83 35.10 2kmi s MET 67 CO -0.18 -0.08 0.18 -0.06 0.00 0.00 0.00 175.02 174.88 2kmi s PHE 68 N 0.37 -0.22 -0.00 4.11 0.08 -0.52 -2.74 117.98 119.06 2kmi s PHE 68 Ca -0.01 0.62 -0.13 0.00 0.12 0.00 0.00 56.93 57.53 2kmi s PHE 68 Cb -0.04 -0.24 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 2kmi s PHE 68 CO -0.00 -0.33 0.28 0.08 -0.10 0.00 0.00 175.22 175.15 2kmi s VAL 69 N 2.32 0.07 -0.44 -0.44 1.01 -0.90 -0.00 120.40 122.02 2kmi s VAL 69 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2kmi s VAL 69 Cb -0.12 -0.65 0.23 0.00 0.00 0.00 0.00 36.38 35.83 2kmi s VAL 69 CO -0.07 -0.31 0.95 1.07 0.00 0.00 0.00 175.10 176.74 2kmi n THR 70 N 1.16 0.00 -3.61 3.92 5.66 -0.79 -1.04 114.28 119.57 2kmi n THR 70 Ca -0.21 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 59.89 2kmi n THR 70 Cb 0.57 1.07 -0.01 0.00 -1.55 0.00 0.00 70.33 70.40 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 0.70 0.00 -0.27 1.08 0.11 -1.18 -1.16 120.40 119.69 2kmi s VAL 71 Ca 0.28 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2kmi s VAL 71 Cb 0.13 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 2kmi s VAL 71 CO -0.12 0.00 0.30 -0.94 -3.33 0.00 0.00 175.10 171.01 2kmi s SER 72 N -2.78 6.18 0.00 3.54 1.04 -1.26 -3.33 113.70 117.10 2kmi s SER 72 Ca 0.13 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2kmi s SER 72 Cb 0.04 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2kmi s SER 72 CO -0.04 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2kmi n GLY 73 N 4.72 1.25 2.67 7.32 0.00 -1.26 -4.07 105.19 115.82 2kmi n GLY 73 Ca -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.39 -4.62 1.61 5.15 -1.26 -3.53 115.26 111.21 2kmi n ASN 74 Ca 0.00 -1.43 -0.43 0.00 -0.60 0.00 0.00 54.58 52.12 2kmi n ASN 74 Cb 0.00 0.74 -0.03 0.00 -0.53 0.00 0.00 39.78 39.96 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2kmi s PRO 75 N 0.51 3.72 -0.36 1.20 0.04 -1.26 -4.53 135.00 134.32 2kmi s PRO 75 Ca 0.25 1.59 0.13 0.00 0.04 0.00 0.00 61.00 63.00 2kmi s PRO 75 Cb 0.17 -4.06 0.42 0.00 0.04 0.00 0.00 34.50 31.07 2kmi s PRO 75 CO -0.10 -1.39 1.31 0.25 0.04 0.00 0.00 177.00 177.11 2kmi n THR 76 N 6.59 0.29 -0.16 1.26 -2.24 -1.26 -4.96 114.28 113.80 2kmi n THR 76 Ca 0.19 -1.79 0.22 0.00 -2.27 0.00 0.00 64.05 60.40 2kmi n THR 76 Cb 0.46 0.96 0.62 0.00 -2.10 0.00 0.00 70.33 70.27 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 2.01 0.18 -0.31 -0.78 -0.00 -1.88 0.15 114.58 113.94 2kmi h GLU 77 Ca -0.27 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.36 58.92 2kmi h GLU 77 Cb 1.28 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.98 2kmi h GLU 77 CO 0.03 0.12 -0.42 -0.22 -0.00 0.00 0.00 179.01 178.52 2kmi h LYS 78 N 0.19 0.78 -0.39 1.06 3.64 -2.00 -3.12 116.57 116.73 2kmi h LYS 78 Ca 0.39 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2kmi h LYS 78 Cb 1.27 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2kmi h LYS 78 CO -0.08 1.05 -0.12 1.49 -2.27 0.00 0.00 179.45 179.53 2kmi h GLU 79 N 0.63 0.77 -0.55 1.90 4.57 -1.15 -3.12 114.58 117.64 2kmi h GLU 79 Ca 0.05 -0.31 0.11 0.00 -1.18 0.00 0.00 59.36 58.03 2kmi h GLU 79 Cb 0.98 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.45 2kmi h GLU 79 CO 0.09 0.92 0.07 1.79 -1.18 0.00 0.00 179.01 180.70 2kmi h THR 80 N 0.58 0.62 -0.38 0.32 1.35 -1.29 -1.50 112.91 112.62 2kmi h THR 80 Ca 0.10 -0.07 0.05 0.00 -0.55 0.00 0.00 66.41 65.94 2kmi h THR 80 Cb 0.65 0.42 -0.04 0.00 -1.73 0.00 0.00 68.15 67.44 2kmi h THR 80 CO 0.04 0.03 0.11 -0.08 -0.25 0.00 0.00 175.52 175.38 2kmi h GLU 81 N 0.19 0.25 -0.63 4.72 4.22 -1.49 -0.78 114.58 121.05 2kmi h GLU 81 Ca 0.29 -0.01 0.18 0.00 0.08 0.00 0.00 59.36 59.89 2kmi h GLU 81 Cb 0.43 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2kmi h GLU 81 CO -0.41 0.16 0.46 1.49 -2.18 0.00 0.00 179.01 178.53 2kmi h GLU 82 N 0.25 0.00 -0.70 1.92 4.81 -1.22 0.51 114.58 120.15 2kmi h GLU 82 Ca 0.18 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.52 2kmi h GLU 82 Cb 0.17 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2kmi h GLU 82 CO -0.20 0.00 0.47 0.82 -0.73 0.00 0.00 179.01 179.37 2kmi h ILE 83 N 0.00 0.87 -0.43 2.32 1.08 -0.75 -0.01 117.51 120.59 2kmi h ILE 83 Ca 0.30 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 2kmi h ILE 83 Cb 1.21 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2kmi h ILE 83 CO -0.00 0.09 0.29 0.00 -0.69 0.00 0.00 178.15 177.83 2kmi h THR 84 N 0.48 0.99 0.41 -0.27 1.03 -0.97 0.27 112.91 114.85 2kmi h THR 84 Ca 0.33 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 66.58 2kmi h THR 84 Cb 0.65 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.30 2kmi h THR 84 CO -0.11 0.07 -0.20 -1.28 -0.01 0.00 0.00 175.52 174.00 2kmi h SER 85 N 0.39 -0.47 0.11 0.00 0.87 -1.13 -3.22 113.55 110.10 2kmi h SER 85 Ca 0.18 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2kmi h SER 85 Cb 0.23 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2kmi h SER 85 CO -0.04 -0.05 -0.02 0.17 -0.53 0.00 0.00 176.83 176.36 2kmi h LEU 86 N -1.11 0.00 -0.33 2.23 -0.00 -1.40 -2.62 115.31 112.08 2kmi h LEU 86 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 2kmi h LEU 86 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.03 2kmi h LEU 86 CO 0.09 0.02 0.03 -0.25 -0.00 0.00 0.00 178.44 178.32 2kmi h TRP 87 N 0.00 0.03 -0.91 0.17 7.01 -0.46 -1.01 115.95 120.78 2kmi h TRP 87 Ca -0.00 0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.23 2kmi h TRP 87 Cb 0.08 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.11 2kmi h TRP 87 CO 0.00 -0.03 0.60 1.96 -2.79 0.00 0.00 178.44 178.18 2kmi h GLN 88 N 0.13 0.37 0.97 2.65 4.20 -1.54 -2.31 115.11 119.59 2kmi h GLN 88 Ca 0.16 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kmi h GLN 88 Cb 0.20 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2kmi h GLN 88 CO -0.24 0.25 -0.47 0.78 -0.67 0.00 0.00 178.83 178.48 2kmi h GLY 89 N 0.38 -1.36 0.61 3.46 0.00 -0.63 -2.68 103.07 102.86 2kmi h GLY 89 Ca 0.47 0.50 0.20 0.00 0.00 0.00 0.00 47.33 48.51 2kmi h GLY 89 CO -0.17 -0.50 0.50 0.23 0.00 0.00 0.00 176.54 176.60 2kmi h SER 90 N -1.33 0.00 -0.55 0.19 0.87 -1.34 -0.17 113.55 111.21 2kmi h SER 90 Ca -0.13 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2kmi h SER 90 Cb 1.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2kmi h SER 90 CO 0.22 0.00 0.35 0.25 -0.53 0.00 0.00 176.83 177.12 2kmi h LEU 91 N 0.00 0.59 -1.00 2.23 5.85 -1.11 -1.95 115.31 119.93 2kmi h LEU 91 Ca 0.33 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.94 2kmi h LEU 91 Cb 1.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2kmi h LEU 91 CO -0.00 0.42 -0.50 0.15 -0.34 0.00 0.00 178.44 178.17 2kmi h PHE 92 N 0.71 0.00 0.91 1.25 3.04 -0.89 -3.23 116.94 118.73 2kmi h PHE 92 Ca 0.21 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 2kmi h PHE 92 Cb -0.04 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.48 2kmi h PHE 92 CO -0.05 0.50 -0.44 -0.97 -2.02 0.00 0.00 178.31 175.33 2kmi h ASN 93 N 0.00 -1.03 0.00 0.41 -1.24 -1.03 -3.46 115.58 109.22 2kmi h ASN 93 Ca -0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2kmi h ASN 93 Cb 0.89 0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2kmi h ASN 93 CO 0.06 -0.70 0.00 0.00 -1.29 0.00 0.00 177.43 175.50 2kmi n ALA 94 N -2.67 2.09 -2.66 1.57 0.00 -0.90 -4.07 120.51 113.87 2kmi n ALA 94 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 2kmi n ALA 94 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 2kmi n ALA 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kmi n ASN 95 N -1.13 -1.12 -2.60 0.00 2.85 -1.22 -4.97 115.26 107.08 2kmi n ASN 95 Ca 0.00 -1.65 -0.06 0.00 -0.11 0.00 0.00 54.58 52.76 2kmi n ASN 95 Cb 0.00 1.04 -0.05 0.00 1.24 0.00 0.00 39.78 42.01 2kmi n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kmi n TYR 96 N -0.13 -4.56 -3.45 1.20 9.36 -1.25 -4.96 117.16 113.37 2kmi n TYR 96 Ca -0.20 2.66 -0.29 0.00 3.32 0.00 0.00 57.90 63.39 2kmi n TYR 96 Cb 0.68 -3.96 -0.08 0.00 -0.63 0.00 0.00 39.34 35.36 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2kmi n ASP 97 N 1.73 3.96 -4.16 2.98 8.00 -1.26 -5.04 116.55 122.78 2kmi n ASP 97 Ca -0.43 -3.41 -0.21 0.00 0.71 0.00 0.00 54.79 51.45 2kmi n ASP 97 Cb 0.67 -0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 2kmi n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kmi s VAL 98 N -2.36 1.18 0.04 2.53 1.01 -1.26 -2.12 120.40 119.42 2kmi s VAL 98 Ca 0.37 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2kmi s VAL 98 Cb 0.11 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2kmi s VAL 98 CO -0.02 0.04 -0.16 -1.10 0.00 0.00 0.00 175.10 173.86 2kmi s GLN 99 N -1.12 1.04 -0.11 2.72 -1.52 0.09 -4.84 119.66 115.92 2kmi s GLN 99 Ca 0.02 -0.79 -0.00 0.00 -1.95 0.00 0.00 55.36 52.64 2kmi s GLN 99 Cb -0.08 -1.07 0.02 0.00 -0.22 0.00 0.00 33.01 31.66 2kmi s GLN 99 CO 0.01 0.27 -0.08 0.50 -0.25 0.00 0.00 175.29 175.74 2kmi s ARG 100 N -1.12 1.54 -0.08 2.91 3.52 0.85 -3.05 118.95 123.52 2kmi s ARG 100 Ca 0.03 -0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.36 2kmi s ARG 100 Cb -0.08 -1.57 0.02 0.00 -1.56 0.00 0.00 34.95 31.77 2kmi s ARG 100 CO 0.01 -0.24 -0.05 0.12 -0.81 0.00 0.00 175.30 174.33 2kmi s PHE 101 N 1.62 1.06 -0.11 5.12 5.36 -1.15 -3.60 117.98 126.28 2kmi s PHE 101 Ca 0.03 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.58 2kmi s PHE 101 Cb -0.13 -0.96 0.02 0.00 -0.34 0.00 0.00 43.02 41.62 2kmi s PHE 101 CO -0.07 -0.36 -0.07 0.42 -1.46 0.00 0.00 175.22 173.67 2kmi s ILE 102 N 1.53 0.99 -0.09 3.12 1.01 -1.26 -1.21 121.20 125.29 2kmi s ILE 102 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 2kmi s ILE 102 Cb -0.13 -1.02 0.05 0.00 0.01 0.00 0.00 42.46 41.37 2kmi s ILE 102 CO -0.04 0.36 0.17 0.54 0.00 0.00 0.00 174.94 175.97 2kmi s VAL 103 N 1.72 -0.27 0.00 2.92 0.11 -1.13 -5.04 120.40 118.71 2kmi s VAL 103 Ca 0.05 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2kmi s VAL 103 Cb -0.13 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2kmi s VAL 103 CO -0.08 0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 2kmi n GLY 104 N 5.31 2.14 0.37 6.54 0.00 -1.26 -3.09 105.19 115.20 2kmi n GLY 104 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 8.35 2.08 -4.16 1.61 7.64 -1.26 -4.97 113.62 122.92 2kmi n SER 105 Ca 0.00 -1.62 -0.28 0.00 1.01 0.00 0.00 58.87 57.98 2kmi n SER 105 Cb 0.00 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.80 2.47 0.11 6.43 -4.77 -1.18 -4.38 116.67 114.56 2kmi s ASP 106 Ca 0.12 -0.42 0.08 0.00 -3.30 0.00 0.00 52.55 49.03 2kmi s ASP 106 Cb 0.07 -0.89 -0.04 0.00 -1.09 0.00 0.00 42.92 40.97 2kmi s ASP 106 CO 0.10 0.15 -0.21 0.00 0.70 0.00 0.00 175.17 175.91 2kmi s ARG 107 N 0.21 1.15 0.06 2.11 1.04 -1.21 -2.82 118.95 119.49 2kmi s ARG 107 Ca -0.10 -1.20 0.09 0.00 -1.04 0.00 0.00 55.73 53.48 2kmi s ARG 107 Cb -0.14 -1.40 -0.03 0.00 -2.04 0.00 0.00 34.95 31.34 2kmi s ARG 107 CO 0.04 0.32 -0.25 0.00 -0.04 0.00 0.00 175.30 175.37 2kmi s ALA 108 N -1.27 2.33 0.02 7.88 0.00 -0.35 -3.13 121.76 127.24 2kmi s ALA 108 Ca 0.08 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2kmi s ALA 108 Cb -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2kmi s ALA 108 CO 0.05 0.54 -0.14 -1.50 0.00 0.00 0.00 175.76 174.71 2kmi s ILE 109 N -0.87 1.11 -0.17 0.00 2.07 -0.21 -2.92 121.20 120.21 2kmi s ILE 109 Ca 0.13 -0.84 -0.06 0.00 -1.41 0.00 0.00 60.65 58.46 2kmi s ILE 109 Cb -0.10 -0.98 0.08 0.00 0.13 0.00 0.00 42.46 41.59 2kmi s ILE 109 CO 0.03 0.13 0.36 0.12 -1.91 0.00 0.00 174.94 173.66 2kmi s PHE 110 N -0.64 -0.65 -0.04 3.50 2.19 -1.17 -2.12 117.98 119.05 2kmi s PHE 110 Ca 0.03 1.29 -0.02 0.00 0.33 0.00 0.00 56.93 58.56 2kmi s PHE 110 Cb -0.07 0.16 0.03 0.00 -1.31 0.00 0.00 43.02 41.83 2kmi s PHE 110 CO 0.01 -0.44 0.10 0.00 1.83 0.00 0.00 175.22 176.72 2kmi s MET 111 N 2.54 0.06 -0.05 10.12 0.23 -1.11 -0.73 119.30 130.36 2kmi s MET 111 Ca -0.00 0.25 -0.15 0.00 -1.03 0.00 0.00 55.69 54.76 2kmi s MET 111 Cb -0.12 -0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.07 2kmi s MET 111 CO -0.11 -0.13 0.34 -1.17 -2.03 0.00 0.00 175.02 171.93 2kmi s LEU 112 N 0.85 0.71 0.40 0.18 1.98 -0.90 -3.21 118.68 118.69 2kmi s LEU 112 Ca -0.07 0.30 0.14 0.00 -2.89 0.00 0.00 54.13 51.61 2kmi s LEU 112 Cb -0.09 1.32 0.82 0.00 0.66 0.00 0.00 46.19 48.91 2kmi s LEU 112 CO -0.04 -0.37 1.88 0.08 -1.89 0.00 0.00 176.35 176.02 2kmi h ARG 113 N 4.30 0.00 0.00 1.98 0.11 -1.87 -3.35 114.38 115.55 2kmi h ARG 113 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2kmi h ARG 113 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kmi h ARG 113 CO 0.36 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.49 2kmi n ASP 114 N -4.15 0.00 0.00 0.08 9.92 -1.26 -3.43 116.55 117.71 2kmi n ASP 114 Ca -0.02 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2kmi n ASP 114 Cb 0.35 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 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 2.23 2.68 0.44 0.44 0.00 -1.25 -4.72 105.19 105.01 2kmi n GLY 115 Ca 0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.93 0.24 1.61 0.87 -1.95 0.25 113.55 113.64 2kmi h SER 116 Ca 0.00 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 2kmi h SER 116 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2kmi h SER 116 CO 0.00 -0.57 -0.51 1.88 -0.53 0.00 0.00 176.83 177.09 2kmi h TYR 117 N -1.28 0.37 0.00 2.24 -1.99 -2.01 -2.94 116.97 111.36 2kmi h TYR 117 Ca -0.11 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.40 2kmi h TYR 117 Cb 0.84 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.48 2kmi h TYR 117 CO 0.00 0.76 -0.46 0.00 -0.00 0.00 0.00 178.16 178.46 2kmi h ALA 118 N 1.22 1.14 -0.87 3.88 0.00 -1.90 -3.11 119.26 119.62 2kmi h ALA 118 Ca 0.01 -0.42 0.18 0.00 0.00 0.00 0.00 54.91 54.68 2kmi h ALA 118 Cb 0.99 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 2kmi h ALA 118 CO 0.08 0.57 0.43 2.35 0.00 0.00 0.00 179.25 182.68 2kmi h TRP 119 N 0.00 0.73 0.00 0.00 2.91 -0.31 0.30 115.95 119.58 2kmi h TRP 119 Ca -0.00 0.04 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 2kmi h TRP 119 Cb 0.86 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.31 2kmi h TRP 119 CO 0.00 0.09 -0.52 0.93 -1.03 0.00 0.00 178.44 177.91 2kmi h GLU 120 N 0.54 0.00 -0.48 2.65 5.08 -1.68 -3.11 114.58 117.57 2kmi h GLU 120 Ca 0.51 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.80 2kmi h GLU 120 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2kmi h GLU 120 CO -0.43 0.52 0.04 0.82 -1.00 0.00 0.00 179.01 178.96 2kmi h ILE 121 N 0.00 1.26 -0.70 3.13 1.08 -0.51 -2.62 117.51 119.14 2kmi h ILE 121 Ca -0.01 -0.99 0.20 0.00 -0.39 0.00 0.00 64.86 63.68 2kmi h ILE 121 Cb 0.95 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 2kmi h ILE 121 CO 0.07 0.35 0.57 0.07 -0.69 0.00 0.00 178.15 178.52 2kmi h LYS 122 N 0.69 0.00 -0.45 2.37 5.09 -1.24 -1.06 116.57 121.97 2kmi h LYS 122 Ca 0.14 0.00 0.09 0.00 0.09 0.00 0.00 60.65 60.97 2kmi h LYS 122 Cb 0.45 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.69 2kmi h LYS 122 CO 0.02 0.00 -0.10 0.22 -2.09 0.00 0.00 179.45 177.50 2kmi h ASP 123 N 0.00 -0.39 -0.33 7.07 3.58 -1.57 0.27 116.42 125.04 2kmi h ASP 123 Ca 0.33 0.13 -0.15 0.00 0.42 0.00 0.00 57.03 57.76 2kmi h ASP 123 Cb 1.47 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.78 2kmi h ASP 123 CO -0.00 -0.14 -0.39 -0.26 -2.88 0.00 0.00 179.24 175.57 2kmi h PHE 124 N 0.01 1.02 0.80 0.28 0.04 -1.36 -0.45 116.94 117.28 2kmi h PHE 124 Ca 0.22 -0.32 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 2kmi h PHE 124 Cb 0.33 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 2kmi h PHE 124 CO -0.38 1.12 -0.49 -0.07 -0.60 0.00 0.00 178.31 177.89 2kmi h LEU 125 N 0.62 -1.23 -1.60 1.54 -0.00 -1.19 -2.70 115.31 110.75 2kmi h LEU 125 Ca 0.04 0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.95 2kmi h LEU 125 Cb 0.98 0.36 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 2kmi h LEU 125 CO 0.09 -0.76 -0.21 1.62 -0.00 0.00 0.00 178.44 179.19 2kmi h VAL 126 N -1.21 1.09 -0.99 1.22 3.04 -0.59 -2.62 116.25 116.19 2kmi h VAL 126 Ca -0.11 -0.74 0.26 0.00 -1.01 0.00 0.00 66.70 65.10 2kmi h VAL 126 Cb 0.97 1.40 -0.07 0.00 -2.01 0.00 0.00 31.29 31.58 2kmi h VAL 126 CO 0.11 0.21 0.67 0.28 -1.01 0.00 0.00 177.57 177.83 2kmi h SER 127 N 0.00 0.28 -0.28 3.17 0.02 -0.73 0.14 113.55 116.14 2kmi h SER 127 Ca -0.00 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.86 2kmi h SER 127 Cb 0.39 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kmi h SER 127 CO 0.03 0.08 -0.32 1.56 -1.14 0.00 0.00 176.83 177.04 2kmi h GLN 128 N 0.26 0.71 -0.36 3.45 7.50 -1.40 -3.47 115.11 121.80 2kmi h GLN 128 Ca 0.52 -0.39 -0.15 0.00 0.50 0.00 0.00 58.65 59.12 2kmi h GLN 128 Cb 1.56 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 29.05 2kmi h GLN 128 CO -0.16 1.01 -0.14 -3.47 -1.50 0.00 0.00 178.83 174.57 2kmi n ASP 129 N -4.24 -5.14 -2.70 1.46 -0.08 0.49 -4.80 116.55 101.54 2kmi n ASP 129 Ca -0.04 0.19 -0.06 0.00 -1.51 0.00 0.00 54.79 53.37 2kmi n ASP 129 Cb 0.49 -3.30 0.07 0.00 2.34 0.00 0.00 41.12 40.72 2kmi n ASP 129 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kmi n ARG 130 N -1.14 0.37 -3.74 -0.67 1.74 -0.31 -4.53 116.66 108.39 2kmi n ARG 130 Ca -0.08 -1.08 -0.13 0.00 -0.77 0.00 0.00 57.85 55.79 2kmi n ARG 130 Cb 0.45 -0.66 -0.09 0.00 -1.02 0.00 0.00 32.46 31.14 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kmi s ALA 132 N -0.56 2.16 -0.11 0.00 0.00 -1.26 -1.89 121.76 120.11 2kmi s ALA 132 Ca -0.07 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 2kmi s ALA 132 Cb -0.04 -0.91 0.03 0.00 0.00 0.00 0.00 23.12 22.21 2kmi s ALA 132 CO 0.03 0.09 0.36 -1.21 0.00 0.00 0.00 175.76 175.03 2kmi s GLU 133 N 0.64 0.48 -0.16 0.00 0.41 1.00 -4.55 118.70 116.53 2kmi s GLU 133 Ca -0.12 0.36 -0.08 0.00 -0.41 0.00 0.00 54.97 54.73 2kmi s GLU 133 Cb -0.16 0.23 0.06 0.00 -1.78 0.00 0.00 34.13 32.48 2kmi s GLU 133 CO 0.02 -0.08 0.37 0.08 -0.49 0.00 0.00 175.26 175.16 2kmi s VAL 134 N -0.14 -0.19 -0.11 2.63 1.01 -1.26 -1.44 120.40 120.90 2kmi s VAL 134 Ca -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2kmi s VAL 134 Cb -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.81 2kmi s VAL 134 CO 0.01 0.06 -0.07 -0.89 0.00 0.00 0.00 175.10 174.21 2kmi s THR 135 N 1.73 0.99 -0.17 3.92 2.01 -0.82 -4.52 115.64 118.77 2kmi s THR 135 Ca -0.07 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.59 2kmi s THR 135 Cb -0.10 -1.03 0.08 0.00 0.01 0.00 0.00 72.50 71.46 2kmi s THR 135 CO -0.12 0.34 0.35 -0.22 -0.69 0.00 0.00 174.62 174.29 2kmi s LEU 136 N 1.72 -0.49 0.21 4.42 1.98 -1.26 -3.23 118.68 122.03 2kmi s LEU 136 Ca 0.05 0.82 0.08 0.00 -2.89 0.00 0.00 54.13 52.18 2kmi s LEU 136 Cb -0.13 1.06 -0.05 0.00 0.66 0.00 0.00 46.19 47.74 2kmi s LEU 136 CO -0.08 -0.24 -0.15 -1.61 -1.89 0.00 0.00 176.35 172.39 2kmi s GLU 137 N 2.53 1.37 0.00 1.98 2.02 -1.26 -4.64 118.70 120.69 2kmi s GLU 137 Ca -0.00 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.37 2kmi s GLU 137 Cb -0.12 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 32.93 2kmi s GLU 137 CO -0.11 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.78 2kmi n GLY 138 N -0.41 -0.25 3.34 -1.39 0.00 -1.26 -2.90 105.19 102.31 2kmi n GLY 138 Ca -0.08 -0.24 -0.47 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.55 3.62 0.00 1.61 -0.44 -1.26 -4.35 119.66 116.29 2kmi s GLN 139 Ca 0.00 -2.44 0.00 0.00 -2.50 0.00 0.00 55.36 50.42 2kmi s GLN 139 Cb 0.00 -4.46 0.00 0.00 -1.64 0.00 0.00 33.01 26.91 2kmi s GLN 139 CO 0.00 -1.32 0.00 -0.12 0.50 0.00 0.00 175.29 174.35 2kmi n MET 140 N 4.10 0.00 -4.08 1.67 1.56 -1.26 -4.92 117.12 114.19 2kmi n MET 140 Ca 0.15 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.51 2kmi n MET 140 Cb 0.47 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.74 2kmi n MET 140 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2kmi s TYR 141 N -0.74 0.52 0.92 1.12 2.02 -1.26 -5.06 117.35 114.87 2kmi s TYR 141 Ca 0.00 -1.06 -0.12 0.00 -0.37 0.00 0.00 57.07 55.53 2kmi s TYR 141 Cb 0.00 -0.38 0.14 0.00 -0.40 0.00 0.00 41.96 41.32 2kmi s TYR 141 CO 0.00 -0.39 1.09 -1.25 -1.57 0.00 0.00 175.55 173.43 2kmi s PRO 142 N -3.92 1.08 0.13 -1.71 0.04 -1.26 -3.50 135.00 125.86 2kmi s PRO 142 Ca 0.08 0.75 -0.07 0.00 0.04 0.00 0.00 61.00 61.80 2kmi s PRO 142 Cb 0.08 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 2kmi s PRO 142 CO -0.10 -2.35 0.40 0.20 0.04 0.00 0.00 177.00 175.19 2kmi s GLY 143 N -3.43 2.27 0.00 0.56 0.00 -1.26 -0.46 107.32 105.00 2kmi s GLY 143 Ca 0.64 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2kmi s GLY 143 CO 0.57 -0.36 0.00 0.28 0.00 0.00 0.00 173.10 173.59 2kmi n LYS 144 N 0.30 0.00 0.00 2.90 4.76 -1.26 -2.11 118.16 122.76 2kmi n LYS 144 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2kmi n LYS 144 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44