#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi s LYS 2 N 0.00 0.18 0.45 5.56 1.02 -1.26 -5.01 119.74 120.67 2kmi s LYS 2 Ca 0.00 0.32 0.21 0.00 0.02 0.00 0.00 55.97 56.53 2kmi s LYS 2 Cb 0.00 0.07 1.20 0.00 -0.52 0.00 0.00 37.83 38.58 2kmi s LYS 2 CO 0.00 -0.04 1.87 0.87 -0.92 0.00 0.00 175.35 177.13 2kmi h LYS 3 N 5.80 0.27 -0.99 1.68 1.57 -2.04 0.19 116.57 123.06 2kmi h LYS 3 Ca -0.25 -0.02 -0.64 0.00 -1.87 0.00 0.00 60.65 57.88 2kmi h LYS 3 Cb 1.16 -0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.11 2kmi h LYS 3 CO 0.19 0.18 0.77 1.63 -0.57 0.00 0.00 179.45 181.66 2kmi n LYS 4 N -4.45 2.61 -1.43 3.15 4.76 -1.26 -4.45 118.16 117.09 2kmi n LYS 4 Ca 0.19 -3.25 -0.26 0.00 -2.87 0.00 0.00 58.31 52.11 2kmi n LYS 4 Cb 0.76 -2.26 -0.04 0.00 -1.84 0.00 0.00 35.03 31.65 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kmi n ASP 5 N -0.97 6.56 -3.84 4.39 2.03 0.65 -4.98 116.55 120.39 2kmi n ASP 5 Ca 0.61 -3.23 -0.29 0.00 0.52 0.00 0.00 54.79 52.40 2kmi n ASP 5 Cb 0.89 -1.20 0.28 0.00 -0.72 0.00 0.00 41.12 40.38 2kmi n ASP 5 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kmi n ILE 6 N 0.69 0.00 -1.43 5.18 -5.35 -1.26 -4.85 119.36 112.34 2kmi n ILE 6 Ca 0.47 -0.25 -0.25 0.00 -0.27 0.00 0.00 62.75 62.44 2kmi n ILE 6 Cb 0.54 -1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.37 2kmi n ILE 6 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2kmi n ARG 7 N -5.48 2.54 -2.20 6.28 3.00 -1.26 -4.69 116.66 114.85 2kmi n ARG 7 Ca 0.08 -2.16 -0.15 0.00 -0.00 0.00 0.00 57.85 55.62 2kmi n ARG 7 Cb 0.57 -2.17 -0.02 0.00 0.00 0.00 0.00 32.46 30.84 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 1.35 -4.53 -2.68 6.15 -0.08 -1.26 -3.73 116.55 111.77 2kmi n ASP 8 Ca 0.50 0.18 -0.03 0.00 -1.51 0.00 0.00 54.79 53.92 2kmi n ASP 8 Cb 0.60 -3.88 -0.03 0.00 2.34 0.00 0.00 41.12 40.15 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 -3.26 -4.02 0.00 -0.67 4.01 -1.26 -5.00 117.16 106.96 2kmi n TYR 9 Ca -0.18 2.15 0.00 0.00 -0.16 0.00 0.00 57.90 59.71 2kmi n TYR 9 Cb 0.61 -3.75 0.00 0.00 -0.31 0.00 0.00 39.34 35.89 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 1.40 0.00 -2.68 7.72 2.85 -1.24 -5.02 115.26 118.29 2kmi n ASN 10 Ca -0.25 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.14 2kmi n ASN 10 Cb 0.40 0.17 0.05 0.00 1.24 0.00 0.00 39.78 41.65 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 -1.56 0.77 -0.01 1.20 8.00 -1.26 -4.92 116.55 118.78 2kmi n ASP 11 Ca 0.00 -2.59 -0.08 0.00 0.71 0.00 0.00 54.79 52.83 2kmi n ASP 11 Cb 0.00 -0.21 0.09 0.00 -0.02 0.00 0.00 41.12 40.97 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 2.74 0.80 -1.00 2.24 0.00 -1.95 -3.08 119.26 119.00 2kmi h ALA 12 Ca -0.14 -0.46 0.17 0.00 0.00 0.00 0.00 54.91 54.48 2kmi h ALA 12 Cb 1.21 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2kmi h ALA 12 CO 0.35 0.66 0.61 -0.44 0.00 0.00 0.00 179.25 180.43 2kmi h ASP 13 N 0.46 0.80 -0.69 0.00 3.32 -1.93 0.18 116.42 118.56 2kmi h ASP 13 Ca 0.03 0.09 0.15 0.00 0.02 0.00 0.00 57.03 57.32 2kmi h ASP 13 Cb 0.96 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 2kmi h ASP 13 CO 0.09 0.32 0.47 0.24 -1.72 0.00 0.00 179.24 178.63 2kmi h MET 14 N 0.80 0.26 0.00 3.56 2.86 -1.80 0.24 114.93 120.85 2kmi h MET 14 Ca 0.56 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.18 2kmi h MET 14 Cb 0.81 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2kmi h MET 14 CO -0.36 0.17 -0.01 0.00 1.06 0.00 0.00 176.91 177.77 2kmi h ALA 15 N 1.67 1.27 -0.03 6.32 0.00 -0.78 -1.46 119.26 126.24 2kmi h ALA 15 Ca 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.25 2kmi h ALA 15 Cb 0.93 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kmi h ALA 15 CO -0.08 0.01 0.02 -0.09 0.00 0.00 0.00 179.25 179.11 2kmi h ARG 16 N 0.00 0.00 -0.80 0.00 1.12 -0.61 -1.62 114.38 112.47 2kmi h ARG 16 Ca -0.00 0.00 0.23 0.00 -1.11 0.00 0.00 59.98 59.10 2kmi h ARG 16 Cb 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.95 2kmi h ARG 16 CO 0.00 0.00 0.58 1.37 -3.11 0.00 0.00 179.97 178.81 2kmi h LEU 17 N 0.00 0.00 -1.29 3.80 8.10 -1.42 0.53 115.31 125.03 2kmi h LEU 17 Ca 0.01 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.20 2kmi h LEU 17 Cb 0.06 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.19 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 0.59 -2.00 0.17 4.07 -1.50 0.19 115.31 116.83 2kmi h LEU 18 Ca 0.38 0.06 0.24 0.00 0.08 0.00 0.00 57.88 58.64 2kmi h LEU 18 Cb 1.54 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 43.20 2kmi h LEU 18 CO -0.00 0.23 0.59 -0.08 -1.08 0.00 0.00 178.44 178.10 2kmi h GLU 19 N 0.59 0.00 -0.68 1.13 4.57 -1.09 0.15 114.58 119.24 2kmi h GLU 19 Ca 0.51 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.87 2kmi h GLU 19 Cb 1.02 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 2kmi h GLU 19 CO -0.26 0.00 0.48 0.37 -1.18 0.00 0.00 179.01 178.42 2kmi h GLN 20 N 0.00 0.11 -1.01 1.92 -0.00 -0.74 -0.33 115.11 115.06 2kmi h GLN 20 Ca 0.39 -0.01 0.15 0.00 -0.00 0.00 0.00 58.65 59.18 2kmi h GLN 20 Cb 1.57 -0.03 -0.09 0.00 0.00 0.00 0.00 27.48 28.93 2kmi h GLN 20 CO -0.00 0.07 0.63 -1.49 0.00 0.00 0.00 178.83 178.04 2kmi h TRP 21 N 0.11 1.12 0.11 3.99 6.55 -0.86 -2.93 115.95 124.04 2kmi h TRP 21 Ca 0.33 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.20 2kmi h TRP 21 Cb 1.14 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 29.09 2kmi h TRP 21 CO -0.00 0.37 -0.08 0.93 -1.05 0.00 0.00 178.44 178.61 2kmi h GLU 22 N 0.91 -0.17 -0.72 0.49 3.07 -1.23 -3.46 114.58 113.47 2kmi h GLU 22 Ca 0.53 0.01 -0.31 0.00 -0.50 0.00 0.00 59.36 59.09 2kmi h GLU 22 Cb 0.65 0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 28.48 2kmi h GLU 22 CO -0.31 -0.11 -0.28 1.17 -1.40 0.00 0.00 179.01 178.07 2kmi n LYS 23 N -2.66 -1.27 -0.03 2.33 4.81 -1.11 -4.83 118.16 115.40 2kmi n LYS 23 Ca -0.02 1.02 0.01 0.00 -0.87 0.00 0.00 58.31 58.46 2kmi n LYS 23 Cb 0.07 -5.26 0.33 0.00 0.02 0.00 0.00 35.03 30.19 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 0.54 -3.03 3.14 3.58 -1.82 -3.47 116.42 115.36 2kmi h ASP 24 Ca -0.31 -0.06 -0.34 0.00 0.42 0.00 0.00 57.03 56.74 2kmi h ASP 24 Cb 1.10 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 42.02 2kmi h ASP 24 CO 0.46 0.50 -0.47 -0.67 -2.88 0.00 0.00 179.24 176.17 2kmi n ASP 25 N -4.37 -5.21 0.31 2.28 -0.08 -1.26 -4.86 116.55 103.35 2kmi n ASP 25 Ca 0.03 -0.11 0.20 0.00 -1.51 0.00 0.00 54.79 53.40 2kmi n ASP 25 Cb 0.15 -4.20 0.98 0.00 2.34 0.00 0.00 41.12 40.39 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kmi h ASP 26 N -0.49 0.00 -3.66 1.67 3.58 -1.73 -3.42 116.42 112.37 2kmi h ASP 26 Ca -0.43 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.35 2kmi h ASP 26 Cb 1.31 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.18 2kmi h ASP 26 CO 0.48 0.00 -0.72 0.27 -2.88 0.00 0.00 179.24 176.39 2kmi s ILE 27 N -3.92 3.51 0.00 2.25 -5.25 -1.26 -5.00 121.20 111.53 2kmi s ILE 27 Ca -0.02 -0.85 0.00 0.00 -0.99 0.00 0.00 60.65 58.78 2kmi s ILE 27 Cb 0.11 -2.53 0.00 0.00 2.95 0.00 0.00 42.46 43.00 2kmi s ILE 27 CO 0.46 0.37 0.33 -1.84 -1.79 0.00 0.00 174.94 172.46 2kmi n GLU 28 N 1.52 -0.61 -4.19 0.37 -0.00 -1.26 -5.05 120.64 111.42 2kmi n GLU 28 Ca -0.15 -0.33 -0.28 0.00 -0.00 0.00 0.00 57.16 56.40 2kmi n GLU 28 Cb 0.52 -0.82 -0.08 0.00 -0.00 0.00 0.00 31.44 31.06 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2kmi s GLU 29 N -0.01 2.38 0.00 3.44 2.12 -1.26 -5.01 118.70 120.36 2kmi s GLU 29 Ca 0.00 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.29 2kmi s GLU 29 Cb 0.00 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2kmi s GLU 29 CO 0.00 0.48 0.46 0.41 -0.54 0.00 0.00 175.26 176.08 2kmi n GLY 30 N 0.18 0.15 3.65 -1.50 0.00 -1.25 -4.37 105.19 102.07 2kmi n GLY 30 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2kmi n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kmi s ASP 31 N -0.40 4.95 0.29 1.61 -4.77 -1.26 -3.23 116.67 113.85 2kmi s ASP 31 Ca 0.00 -0.07 0.12 0.00 -3.30 0.00 0.00 52.55 49.30 2kmi s ASP 31 Cb 0.00 -1.24 -0.05 0.00 -1.09 0.00 0.00 42.92 40.54 2kmi s ASP 31 CO 0.00 0.27 -0.17 -0.76 0.70 0.00 0.00 175.17 175.21 2kmi s LEU 32 N -1.57 2.65 0.00 2.11 1.02 -1.26 -4.82 118.68 116.81 2kmi s LEU 32 Ca 0.19 -1.02 0.14 0.00 0.02 0.00 0.00 54.13 53.46 2kmi s LEU 32 Cb -0.11 -1.13 0.66 0.00 0.02 0.00 0.00 46.19 45.62 2kmi s LEU 32 CO 0.10 0.01 1.44 -0.81 0.02 0.00 0.00 176.35 177.11 2kmi n PRO 33 N -0.66 0.08 -1.60 1.29 -0.04 -1.26 -4.84 135.00 127.97 2kmi n PRO 33 Ca -0.05 0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 2kmi n PRO 33 Cb 0.60 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2kmi n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kmi n GLU 34 N -1.42 1.36 -4.42 0.54 4.07 -1.26 -5.00 120.64 114.51 2kmi n GLU 34 Ca 0.05 0.48 -0.23 0.00 -0.06 0.00 0.00 57.16 57.40 2kmi n GLU 34 Cb 0.15 -1.94 -0.08 0.00 -0.06 0.00 0.00 31.44 29.51 2kmi n GLU 34 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kmi s HIS 35 N -1.18 1.77 0.00 4.31 2.46 -1.26 -5.10 115.29 116.30 2kmi s HIS 35 Ca 0.60 -1.48 -0.32 0.00 0.47 0.00 0.00 55.06 54.34 2kmi s HIS 35 Cb -0.62 -0.96 -0.10 0.00 -0.13 0.00 0.00 32.58 30.76 2kmi s HIS 35 CO 0.59 -0.57 1.92 0.36 -2.47 0.00 0.00 174.74 174.56 2kmi n LYS 36 N -0.80 2.59 -4.21 2.88 0.00 -1.26 -4.98 118.16 112.37 2kmi n LYS 36 Ca -0.00 0.95 -0.23 0.00 -0.00 0.00 0.00 58.31 59.03 2kmi n LYS 36 Cb 0.64 -2.85 -0.07 0.00 -0.00 0.00 0.00 35.03 32.75 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kmi s ARG 37 N 4.02 2.36 0.62 -1.58 0.52 0.88 -5.05 118.95 120.72 2kmi s ARG 37 Ca 0.89 -1.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2kmi s ARG 37 Cb -0.54 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 2kmi s ARG 37 CO 0.45 0.27 1.12 -1.25 0.02 0.00 0.00 175.30 175.90 2kmi s PRO 38 N -3.75 3.00 -0.23 3.54 0.04 -1.26 -4.15 135.00 132.19 2kmi s PRO 38 Ca 0.34 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 2kmi s PRO 38 Cb -0.05 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2kmi s PRO 38 CO 0.21 -1.11 0.62 0.45 0.04 0.00 0.00 177.00 177.21 2kmi s SER 39 N -2.31 6.60 -0.28 6.66 0.15 -1.26 -4.51 113.70 118.75 2kmi s SER 39 Ca 0.69 0.74 -0.38 0.00 0.70 0.00 0.00 55.95 57.69 2kmi s SER 39 Cb -0.22 -2.34 0.16 0.00 -1.71 0.00 0.00 66.02 61.92 2kmi s SER 39 CO 0.36 -0.33 1.38 0.00 1.20 0.00 0.00 173.24 175.85 2kmi s ALA 40 N 2.26 -2.20 -0.12 5.45 0.00 -1.26 -5.07 121.76 120.82 2kmi s ALA 40 Ca 0.27 1.90 -0.29 0.00 0.00 0.00 0.00 51.96 53.83 2kmi s ALA 40 Cb -0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2kmi s ALA 40 CO 0.09 -0.55 1.54 -1.25 0.00 0.00 0.00 175.76 175.59 2kmi s PRO 41 N -2.05 4.11 -0.12 0.00 0.04 -1.26 -4.77 135.00 130.95 2kmi s PRO 41 Ca 0.12 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2kmi s PRO 41 Cb -0.01 -3.94 -0.02 0.00 0.04 0.00 0.00 34.50 30.57 2kmi s PRO 41 CO -0.02 -0.90 -0.07 -1.50 0.04 0.00 0.00 177.00 174.54 2kmi s ILE 42 N 4.14 3.60 0.07 0.56 1.10 -1.26 -5.02 121.20 124.39 2kmi s ILE 42 Ca 0.68 -0.48 0.02 0.00 -0.51 0.00 0.00 60.65 60.36 2kmi s ILE 42 Cb -0.28 -2.53 -0.03 0.00 0.15 0.00 0.00 42.46 39.77 2kmi s ILE 42 CO 0.25 0.53 -0.08 1.51 -2.11 0.00 0.00 174.94 175.05 2kmi s ASP 43 N 0.02 1.10 0.00 4.50 1.47 -1.26 -4.12 116.67 118.37 2kmi s ASP 43 Ca -0.01 -0.76 0.00 0.00 1.18 0.00 0.00 52.55 52.96 2kmi s ASP 43 Cb -0.14 0.05 0.00 0.00 -0.34 0.00 0.00 42.92 42.49 2kmi s ASP 43 CO 0.03 -0.30 0.00 0.33 0.68 0.00 0.00 175.17 175.91 2kmi n PHE 44 N 0.77 0.00 0.35 2.11 7.35 -1.16 -4.80 117.46 122.08 2kmi n PHE 44 Ca -0.18 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.62 2kmi n PHE 44 Cb 0.57 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.25 2kmi n PHE 44 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2kmi n SER 45 N -2.05 0.36 -2.35 -2.13 2.88 -1.14 -5.04 113.62 104.15 2kmi n SER 45 Ca 0.00 -0.35 -0.04 0.00 -1.33 0.00 0.00 58.87 57.15 2kmi n SER 45 Cb 0.33 1.62 -0.03 0.00 -0.75 0.00 0.00 64.21 65.38 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kmi n LYS 46 N -1.99 -3.96 -0.98 -1.46 4.81 -1.23 -4.96 118.16 108.38 2kmi n LYS 46 Ca -0.01 3.04 -0.31 0.00 -0.87 0.00 0.00 58.31 60.15 2kmi n LYS 46 Cb 0.48 -4.32 0.13 0.00 0.02 0.00 0.00 35.03 31.34 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2kmi s LEU 47 N -0.54 2.97 0.49 3.14 0.05 -1.26 -5.01 118.68 118.52 2kmi s LEU 47 Ca -0.20 2.10 -0.12 0.00 0.05 0.00 0.00 54.13 55.96 2kmi s LEU 47 Cb 0.01 -4.56 -0.06 0.00 -2.05 0.00 0.00 46.19 39.54 2kmi s LEU 47 CO 0.53 -2.65 0.89 -1.81 -0.55 0.00 0.00 176.35 172.76 2kmi s ASP 48 N -2.81 6.45 1.00 1.48 1.11 -1.26 -5.07 116.67 117.57 2kmi s ASP 48 Ca 0.66 1.29 -0.12 0.00 0.18 0.00 0.00 52.55 54.56 2kmi s ASP 48 Cb -0.22 -2.40 0.19 0.00 1.07 0.00 0.00 42.92 41.56 2kmi s ASP 48 CO 0.55 -0.58 1.09 -2.16 1.18 0.00 0.00 175.17 175.26 2kmi s PRO 49 N -4.33 0.41 0.00 8.23 0.04 -1.26 -4.84 135.00 133.26 2kmi s PRO 49 Ca 0.54 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2kmi s PRO 49 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2kmi s PRO 49 CO 0.38 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 175.08 2kmi n GLY 50 N -1.06 0.42 3.43 0.56 0.00 -1.26 -5.12 105.19 102.16 2kmi n GLY 50 Ca 0.05 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.01 -2.26 1.61 2.85 -1.26 -4.93 118.16 114.18 2kmi n LYS 51 Ca 0.00 0.05 -0.37 0.00 -1.05 0.00 0.00 58.31 56.94 2kmi n LYS 51 Cb 0.00 -1.83 -0.01 0.00 -0.65 0.00 0.00 35.03 32.54 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 -3.19 3.70 0.31 -1.58 0.04 -1.26 -4.95 135.00 128.07 2kmi s PRO 52 Ca 0.61 1.75 0.16 0.00 0.04 0.00 0.00 61.00 63.55 2kmi s PRO 52 Cb -0.28 -2.35 0.30 0.00 0.04 0.00 0.00 34.50 32.22 2kmi s PRO 52 CO 0.63 -0.59 1.55 1.05 0.04 0.00 0.00 177.00 179.68 2kmi h GLU 53 N 1.92 0.00 -0.67 4.56 4.11 -2.01 -3.27 114.58 119.21 2kmi h GLU 53 Ca -0.49 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.06 2kmi h GLU 53 Cb 1.25 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2kmi h GLU 53 CO 0.60 0.49 0.22 1.03 0.07 0.00 0.00 179.01 181.42 2kmi h SER 54 N 0.00 0.16 -0.38 3.06 0.87 -2.00 -1.30 113.55 113.97 2kmi h SER 54 Ca -0.00 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kmi h SER 54 Cb 1.22 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 2kmi h SER 54 CO 0.06 0.07 0.23 0.40 -0.53 0.00 0.00 176.83 177.06 2kmi h ILE 55 N 0.37 1.12 -0.89 2.23 2.04 -1.98 -1.78 117.51 118.63 2kmi h ILE 55 Ca 0.36 -0.29 0.14 0.00 1.00 0.00 0.00 64.86 66.07 2kmi h ILE 55 Cb 0.52 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 2kmi h ILE 55 CO -0.39 0.12 0.50 0.25 0.00 0.00 0.00 178.15 178.63 2kmi h LEU 56 N 0.49 0.66 -0.78 1.44 7.12 -1.39 0.20 115.31 123.04 2kmi h LEU 56 Ca 0.13 0.08 -0.13 0.00 0.13 0.00 0.00 57.88 58.10 2kmi h LEU 56 Cb 0.00 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 2kmi h LEU 56 CO -0.03 0.31 -0.46 0.11 -0.13 0.00 0.00 178.44 178.24 2kmi h LYS 57 N 0.74 0.34 -0.44 1.25 1.57 -1.01 -2.90 116.57 116.12 2kmi h LYS 57 Ca 0.47 -0.18 0.09 0.00 -1.87 0.00 0.00 60.65 59.15 2kmi h LYS 57 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2kmi h LYS 57 CO -0.33 0.74 0.30 1.98 -0.57 0.00 0.00 179.45 181.57 2kmi h MET 58 N 0.28 0.21 -5.97 3.15 4.05 -0.08 -3.41 114.93 113.15 2kmi h MET 58 Ca 0.02 -0.01 -0.59 0.00 -0.28 0.00 0.00 59.70 58.84 2kmi h MET 58 Cb 0.92 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 2kmi h MET 58 CO 0.08 0.14 -0.49 0.95 0.23 0.00 0.00 176.91 177.82 2kmi s THR 59 N -5.22 5.36 -0.18 -0.77 -4.23 -1.07 -5.10 115.64 104.42 2kmi s THR 59 Ca -0.06 -0.52 -0.32 0.00 -1.18 0.00 0.00 61.69 59.61 2kmi s THR 59 Cb 0.19 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.49 2kmi s THR 59 CO 0.73 0.04 1.15 -0.75 -0.54 0.00 0.00 174.62 175.25 2kmi s LYS 60 N -2.82 0.39 0.24 3.99 2.20 -1.26 -4.90 119.74 117.57 2kmi s LYS 60 Ca 0.35 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 2kmi s LYS 60 Cb -0.12 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2kmi s LYS 60 CO 0.28 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.75 2kmi n LYS 61 N 0.15 0.00 -1.27 4.03 5.02 -1.26 -5.08 118.16 119.75 2kmi n LYS 61 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2kmi n LYS 61 Cb 0.59 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kmi n GLY 62 N 1.94 0.99 2.92 0.72 0.00 -1.26 -4.99 105.19 105.51 2kmi n GLY 62 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.55 0.09 0.45 1.61 1.02 0.02 -4.12 119.74 116.27 2kmi s LYS 63 Ca 0.00 0.48 -0.02 0.00 0.02 0.00 0.00 55.97 56.45 2kmi s LYS 63 Cb 0.00 -0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 2kmi s LYS 63 CO 0.00 -0.22 0.71 0.95 -0.92 0.00 0.00 175.35 175.87 2kmi s THR 64 N 1.64 4.48 -0.21 2.17 -4.23 -1.12 -3.56 115.64 114.82 2kmi s THR 64 Ca -0.04 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.22 2kmi s THR 64 Cb -0.12 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2kmi s THR 64 CO -0.06 -0.55 -0.10 -1.48 -0.54 0.00 0.00 174.62 171.88 2kmi s LEU 65 N -4.61 2.61 -0.30 4.79 2.34 -1.26 -4.59 118.68 117.66 2kmi s LEU 65 Ca 0.47 -0.49 -0.05 0.00 0.06 0.00 0.00 54.13 54.12 2kmi s LEU 65 Cb -0.10 -1.64 0.16 0.00 -0.56 0.00 0.00 46.19 44.05 2kmi s LEU 65 CO 0.40 -0.01 0.64 -0.32 -1.06 0.00 0.00 176.35 176.00 2kmi s MET 66 N 1.40 0.56 -0.23 1.48 1.75 -1.20 -3.83 119.30 119.24 2kmi s MET 66 Ca 0.05 1.19 -0.11 0.00 -1.25 0.00 0.00 55.69 55.57 2kmi s MET 66 Cb -0.14 0.69 0.08 0.00 2.84 0.00 0.00 34.83 38.31 2kmi s MET 66 CO -0.07 -0.42 0.54 1.41 -0.65 0.00 0.00 175.02 175.83 2kmi s MET 67 N 2.87 0.51 -0.11 4.11 0.00 -1.15 -0.01 119.30 125.53 2kmi s MET 67 Ca 0.08 1.09 -0.01 0.00 0.00 0.00 0.00 55.69 56.86 2kmi s MET 67 Cb -0.13 0.25 0.03 0.00 0.00 0.00 0.00 34.83 34.98 2kmi s MET 67 CO -0.20 -0.18 -0.05 -0.06 0.00 0.00 0.00 175.02 174.53 2kmi s PHE 68 N 1.97 1.28 0.00 4.11 0.08 0.70 -3.05 117.98 123.08 2kmi s PHE 68 Ca -0.08 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.27 2kmi s PHE 68 Cb -0.09 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 2kmi s PHE 68 CO -0.16 -0.48 0.16 0.08 -0.10 0.00 0.00 175.22 174.72 2kmi s VAL 69 N 1.77 0.08 -0.43 -0.44 1.01 -1.11 -0.05 120.40 121.23 2kmi s VAL 69 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.36 2kmi s VAL 69 Cb -0.13 -0.47 0.21 0.00 0.00 0.00 0.00 36.38 35.99 2kmi s VAL 69 CO -0.07 -0.37 0.94 1.07 0.00 0.00 0.00 175.10 176.66 2kmi n THR 70 N 1.39 0.00 -3.60 3.92 5.66 -0.77 -1.96 114.28 118.93 2kmi n THR 70 Ca -0.23 -0.76 -0.03 0.00 -3.05 0.00 0.00 64.05 59.99 2kmi n THR 70 Cb 0.56 0.94 -0.02 0.00 -1.55 0.00 0.00 70.33 70.26 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 0.80 0.00 -0.24 1.08 0.11 -1.18 -1.96 120.40 119.01 2kmi s VAL 71 Ca 0.28 -0.04 -0.26 0.00 -2.93 0.00 0.00 61.98 59.02 2kmi s VAL 71 Cb 0.10 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2kmi s VAL 71 CO -0.10 0.00 0.91 -0.94 -3.33 0.00 0.00 175.10 171.64 2kmi s SER 72 N -2.31 6.92 0.00 3.54 1.04 -1.26 -3.25 113.70 118.38 2kmi s SER 72 Ca 0.10 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2kmi s SER 72 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2kmi s SER 72 CO -0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2kmi n GLY 73 N 3.61 1.12 2.69 7.32 0.00 -1.26 -4.14 105.19 114.53 2kmi n GLY 73 Ca 0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.87 -4.59 1.61 3.02 -1.25 -4.00 115.26 108.16 2kmi n ASN 74 Ca 0.00 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.23 2kmi n ASN 74 Cb 0.00 1.03 -0.03 0.00 -0.61 0.00 0.00 39.78 40.17 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kmi s PRO 75 N 0.58 3.30 -0.32 3.52 0.04 -1.26 -4.01 135.00 136.84 2kmi s PRO 75 Ca 0.27 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.67 2kmi s PRO 75 Cb 0.16 -4.18 0.43 0.00 0.04 0.00 0.00 34.50 30.95 2kmi s PRO 75 CO -0.11 -1.90 1.46 2.41 0.04 0.00 0.00 177.00 178.89 2kmi n THR 76 N 7.31 0.26 -0.25 1.26 -1.04 -1.26 -4.96 114.28 115.61 2kmi n THR 76 Ca 0.21 -1.41 0.19 0.00 -2.04 0.00 0.00 64.05 61.01 2kmi n THR 76 Cb 0.48 1.06 0.51 0.00 -1.82 0.00 0.00 70.33 70.55 2kmi n THR 76 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2kmi h GLU 77 N 1.35 0.41 0.76 -2.82 4.81 -1.86 -0.68 114.58 116.54 2kmi h GLU 77 Ca -0.38 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2kmi h GLU 77 Cb 1.29 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kmi h GLU 77 CO -0.11 0.27 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.85 2kmi h LYS 78 N 0.42 -0.99 -0.52 1.92 3.11 -1.98 -2.95 116.57 115.58 2kmi h LYS 78 Ca 0.48 0.07 0.12 0.00 -2.81 0.00 0.00 60.65 58.50 2kmi h LYS 78 Cb 1.17 0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 32.60 2kmi h LYS 78 CO -0.19 -0.64 0.36 1.49 -2.81 0.00 0.00 179.45 177.66 2kmi h GLU 79 N -1.21 0.17 0.11 1.90 4.81 -1.80 -2.50 114.58 116.06 2kmi h GLU 79 Ca -0.10 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2kmi h GLU 79 Cb 0.80 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 2kmi h GLU 79 CO 0.17 0.11 -0.42 1.15 -0.73 0.00 0.00 179.01 179.30 2kmi h THR 80 N 0.17 0.16 -0.98 0.32 2.02 -0.98 -1.63 112.91 112.00 2kmi h THR 80 Ca 0.24 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.56 2kmi h THR 80 Cb 0.73 0.16 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 2kmi h THR 80 CO -0.04 0.00 0.62 -0.08 0.37 0.00 0.00 175.52 176.39 2kmi h GLU 81 N -0.64 0.87 -0.02 6.66 4.81 -1.38 0.25 114.58 125.13 2kmi h GLU 81 Ca 0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2kmi h GLU 81 Cb 0.68 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 2kmi h GLU 81 CO -0.25 0.58 0.08 1.49 -0.73 0.00 0.00 179.01 180.18 2kmi h GLU 82 N 0.90 0.00 -0.62 1.92 4.57 -1.25 -1.36 114.58 118.74 2kmi h GLU 82 Ca 0.50 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.60 2kmi h GLU 82 Cb 0.60 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2kmi h GLU 82 CO -0.27 0.00 0.06 0.82 -1.18 0.00 0.00 179.01 178.44 2kmi h ILE 83 N 0.00 1.26 -0.98 2.32 2.04 -0.14 -2.74 117.51 119.28 2kmi h ILE 83 Ca 0.01 -1.08 0.26 0.00 1.00 0.00 0.00 64.86 65.05 2kmi h ILE 83 Cb 0.16 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2kmi h ILE 83 CO -0.00 0.40 0.67 0.00 0.00 0.00 0.00 178.15 179.22 2kmi h THR 84 N 0.96 0.55 0.42 -0.27 1.03 -1.33 0.59 112.91 114.86 2kmi h THR 84 Ca 0.18 -0.07 -0.02 0.00 -0.01 0.00 0.00 66.41 66.49 2kmi h THR 84 Cb 0.49 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2kmi h THR 84 CO 0.02 0.04 -0.20 0.28 -0.01 0.00 0.00 175.52 175.64 2kmi h SER 85 N 0.20 -0.48 -0.48 0.00 0.02 -1.62 -3.21 113.55 107.97 2kmi h SER 85 Ca 0.50 -0.05 0.12 0.00 -0.84 0.00 0.00 61.79 61.53 2kmi h SER 85 Cb 1.61 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 2kmi h SER 85 CO -0.12 -0.05 0.34 -0.07 -1.14 0.00 0.00 176.83 175.79 2kmi h LEU 86 N -1.10 0.09 -1.01 5.07 3.38 -1.35 -1.12 115.31 119.26 2kmi h LEU 86 Ca -0.06 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.09 2kmi h LEU 86 Cb 0.50 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 2kmi h LEU 86 CO 0.10 0.05 0.62 -0.25 0.09 0.00 0.00 178.44 179.04 2kmi h TRP 87 N 0.09 1.08 -0.73 1.13 7.01 -0.91 0.14 115.95 123.77 2kmi h TRP 87 Ca 0.23 0.03 0.10 0.00 2.11 0.00 0.00 58.89 61.36 2kmi h TRP 87 Cb 0.79 -0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 2kmi h TRP 87 CO -0.00 0.27 0.48 0.37 -2.79 0.00 0.00 178.44 176.78 2kmi h GLN 88 N 0.80 0.60 -0.06 2.65 4.15 -1.28 -2.30 115.11 119.68 2kmi h GLN 88 Ca 0.57 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.95 2kmi h GLN 88 Cb 0.83 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2kmi h GLN 88 CO -0.36 0.40 0.03 0.78 -1.93 0.00 0.00 178.83 177.75 2kmi h GLY 89 N 0.62 0.09 0.35 2.39 0.00 -0.75 -2.46 103.07 103.32 2kmi h GLY 89 Ca 0.34 -0.04 0.24 0.00 0.00 0.00 0.00 47.33 47.86 2kmi h GLY 89 CO -0.12 0.04 0.60 1.48 0.00 0.00 0.00 176.54 178.54 2kmi h SER 90 N 0.00 0.00 -0.47 0.19 4.64 -1.37 -0.22 113.55 116.32 2kmi h SER 90 Ca 0.02 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2kmi h SER 90 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 2kmi h SER 90 CO -0.00 0.00 0.19 0.25 -0.87 0.00 0.00 176.83 176.40 2kmi h LEU 91 N 0.00 0.23 -0.59 5.97 6.46 -1.38 -1.88 115.31 124.12 2kmi h LEU 91 Ca 0.39 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.20 2kmi h LEU 91 Cb 1.58 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.49 2kmi h LEU 91 CO -0.00 0.16 0.37 0.15 -0.62 0.00 0.00 178.44 178.50 2kmi h PHE 92 N 0.38 0.76 0.54 1.25 3.57 -1.11 -3.12 116.94 119.21 2kmi h PHE 92 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2kmi h PHE 92 Cb 0.20 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2kmi h PHE 92 CO -0.14 0.51 -0.50 -0.97 -2.23 0.00 0.00 178.31 174.97 2kmi h ASN 93 N 0.80 -1.37 0.00 0.41 -1.24 -1.36 -3.43 115.58 109.40 2kmi h ASN 93 Ca 0.21 0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.33 2kmi h ASN 93 Cb -0.05 0.44 0.00 0.00 0.73 0.00 0.00 38.32 39.45 2kmi h ASN 93 CO -0.04 -0.68 0.00 0.00 -1.29 0.00 0.00 177.43 175.42 2kmi n ALA 94 N -2.80 2.05 -2.65 1.57 0.00 -0.77 -2.89 120.51 115.02 2kmi n ALA 94 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 2kmi n ALA 94 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 2kmi n ALA 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kmi n ASN 95 N -1.49 -1.04 -2.95 0.00 3.02 -1.23 -4.87 115.26 106.71 2kmi n ASN 95 Ca 0.00 -0.64 -0.03 0.00 -0.03 0.00 0.00 54.58 53.89 2kmi n ASN 95 Cb 0.00 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kmi n TYR 96 N 2.41 -2.43 -2.67 3.10 4.01 -1.25 -4.88 117.16 115.44 2kmi n TYR 96 Ca 0.09 1.06 -0.40 0.00 -0.16 0.00 0.00 57.90 58.50 2kmi n TYR 96 Cb 0.67 -2.79 0.01 0.00 -0.31 0.00 0.00 39.34 36.92 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kmi n ASP 97 N 0.79 7.11 -4.11 7.72 8.00 -1.25 -4.97 116.55 129.84 2kmi n ASP 97 Ca 0.00 -3.69 -0.19 0.00 0.71 0.00 0.00 54.79 51.63 2kmi n ASP 97 Cb 0.26 -1.12 -0.13 0.00 -0.02 0.00 0.00 41.12 40.11 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kmi s VAL 98 N -4.32 0.97 0.03 2.53 -7.23 -1.26 -2.00 120.40 109.11 2kmi s VAL 98 Ca 0.40 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.72 2kmi s VAL 98 Cb 0.20 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2kmi s VAL 98 CO -0.13 0.00 -0.12 -1.58 -0.31 0.00 0.00 175.10 172.96 2kmi s GLN 99 N -1.00 0.84 -0.01 4.82 0.74 0.86 -4.98 119.66 120.93 2kmi s GLN 99 Ca 0.01 -0.65 0.04 0.00 0.05 0.00 0.00 55.36 54.80 2kmi s GLN 99 Cb -0.07 -0.81 -0.01 0.00 1.10 0.00 0.00 33.01 33.22 2kmi s GLN 99 CO 0.01 0.20 -0.13 0.50 -0.55 0.00 0.00 175.29 175.32 2kmi s ARG 100 N -0.97 1.05 -0.14 1.67 3.52 -1.26 -1.11 118.95 121.72 2kmi s ARG 100 Ca 0.01 -0.46 -0.11 0.00 -0.13 0.00 0.00 55.73 55.04 2kmi s ARG 100 Cb -0.07 -1.01 0.04 0.00 -1.56 0.00 0.00 34.95 32.35 2kmi s ARG 100 CO 0.01 0.27 0.36 0.12 -0.81 0.00 0.00 175.30 175.24 2kmi s PHE 101 N -0.28 -0.43 -0.05 5.12 5.36 -1.14 -4.56 117.98 122.00 2kmi s PHE 101 Ca 0.04 1.01 -0.01 0.00 -0.96 0.00 0.00 56.93 57.01 2kmi s PHE 101 Cb -0.05 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.81 2kmi s PHE 101 CO -0.00 -0.22 0.01 0.96 -1.46 0.00 0.00 175.22 174.50 2kmi s ILE 102 N 0.53 0.22 -0.13 3.12 -4.36 -1.26 -1.95 121.20 117.38 2kmi s ILE 102 Ca -0.03 0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 60.40 2kmi s ILE 102 Cb -0.04 -0.38 0.03 0.00 1.25 0.00 0.00 42.46 43.32 2kmi s ILE 102 CO -0.03 0.21 0.36 -0.69 0.24 0.00 0.00 174.94 175.03 2kmi s VAL 103 N 1.73 0.01 0.00 8.37 1.01 -1.18 -5.06 120.40 125.28 2kmi s VAL 103 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2kmi s VAL 103 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 36.38 35.73 2kmi s VAL 103 CO -0.04 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2kmi n GLY 104 N 2.73 1.30 1.04 4.51 0.00 -1.26 -3.14 105.19 110.37 2kmi n GLY 104 Ca -0.14 -0.71 0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 1.40 3.13 -4.27 1.61 7.64 -1.26 -4.91 113.62 116.96 2kmi n SER 105 Ca 0.00 -1.95 -0.26 0.00 1.01 0.00 0.00 58.87 57.67 2kmi n SER 105 Cb 0.00 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.53 2.60 0.05 6.43 1.47 -1.19 -4.36 116.67 120.14 2kmi s ASP 106 Ca 0.37 -0.56 0.08 0.00 1.18 0.00 0.00 52.55 53.61 2kmi s ASP 106 Cb 0.22 -0.21 -0.03 0.00 -0.34 0.00 0.00 42.92 42.57 2kmi s ASP 106 CO 0.31 0.16 -0.21 -0.13 0.68 0.00 0.00 175.17 175.97 2kmi s ARG 107 N -1.32 1.41 0.05 2.11 0.52 -1.20 -3.10 118.95 117.41 2kmi s ARG 107 Ca 0.08 -0.98 0.08 0.00 -0.52 0.00 0.00 55.73 54.39 2kmi s ARG 107 Cb -0.09 -1.54 -0.03 0.00 0.52 0.00 0.00 34.95 33.81 2kmi s ARG 107 CO 0.02 0.39 -0.22 0.00 0.02 0.00 0.00 175.30 175.52 2kmi s ALA 108 N -0.83 1.87 0.03 2.13 0.00 -0.82 -3.12 121.76 121.01 2kmi s ALA 108 Ca 0.08 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2kmi s ALA 108 Cb -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2kmi s ALA 108 CO 0.02 0.42 -0.14 -1.50 0.00 0.00 0.00 175.76 174.56 2kmi s ILE 109 N -0.82 1.10 -0.03 0.00 -1.16 -0.83 -2.86 121.20 116.60 2kmi s ILE 109 Ca 0.08 -0.91 -0.01 0.00 -0.51 0.00 0.00 60.65 59.30 2kmi s ILE 109 Cb -0.09 -0.98 0.03 0.00 0.61 0.00 0.00 42.46 42.03 2kmi s ILE 109 CO 0.02 0.07 0.05 0.12 -2.81 0.00 0.00 174.94 172.38 2kmi s PHE 110 N -0.74 0.03 -0.15 3.50 5.36 -0.26 -2.74 117.98 122.98 2kmi s PHE 110 Ca 0.02 0.20 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 2kmi s PHE 110 Cb -0.07 -0.34 0.07 0.00 -0.34 0.00 0.00 43.02 42.34 2kmi s PHE 110 CO 0.01 -0.14 0.31 0.00 -1.46 0.00 0.00 175.22 173.94 2kmi s MET 111 N 1.58 0.21 -0.02 10.12 0.23 -1.17 -0.09 119.30 130.16 2kmi s MET 111 Ca -0.03 0.82 -0.16 0.00 -1.03 0.00 0.00 55.69 55.29 2kmi s MET 111 Cb -0.13 0.07 0.03 0.00 -1.53 0.00 0.00 34.83 33.27 2kmi s MET 111 CO -0.03 -0.26 0.33 -1.17 -2.03 0.00 0.00 175.02 171.86 2kmi s LEU 112 N 2.33 0.76 0.24 0.18 1.98 -0.85 -2.93 118.68 120.40 2kmi s LEU 112 Ca -0.01 0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.39 2kmi s LEU 112 Cb -0.12 1.34 0.26 0.00 0.66 0.00 0.00 46.19 48.34 2kmi s LEU 112 CO -0.10 -0.46 1.58 0.08 -1.89 0.00 0.00 176.35 175.56 2kmi h ARG 113 N 3.81 0.29 0.00 1.98 -0.00 -1.81 -3.34 114.38 115.31 2kmi h ARG 113 Ca -0.29 -0.18 0.00 0.00 -0.00 0.00 0.00 59.98 59.50 2kmi h ARG 113 Cb 1.17 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2kmi h ARG 113 CO 0.40 0.77 -0.03 -0.44 -0.00 0.00 0.00 179.97 180.67 2kmi h ASP 114 N 0.22 0.00 0.00 0.08 5.19 -1.92 -3.39 116.42 116.59 2kmi h ASP 114 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kmi h ASP 114 Cb 1.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.56 2kmi h ASP 114 CO 0.09 0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.18 2kmi n GLY 115 N 1.83 1.31 0.38 2.75 0.00 -1.26 -4.63 105.19 105.57 2kmi n GLY 115 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.12 -0.90 1.61 0.87 -1.94 0.27 113.55 112.34 2kmi h SER 116 Ca 0.00 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 60.81 2kmi h SER 116 Cb 0.00 0.44 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 2kmi h SER 116 CO 0.00 -0.43 0.58 0.22 -0.53 0.00 0.00 176.83 176.67 2kmi h TYR 117 N -0.54 0.92 -0.11 2.24 3.20 -2.01 -0.18 116.97 120.49 2kmi h TYR 117 Ca 0.05 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2kmi h TYR 117 Cb 0.62 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2kmi h TYR 117 CO -0.38 0.39 -0.47 0.00 -1.64 0.00 0.00 178.16 176.06 2kmi h ALA 118 N 1.57 0.99 -0.87 1.82 0.00 -1.58 -2.99 119.26 118.21 2kmi h ALA 118 Ca 0.43 -0.46 0.21 0.00 0.00 0.00 0.00 54.91 55.10 2kmi h ALA 118 Cb 0.53 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2kmi h ALA 118 CO -0.19 0.64 0.59 2.35 0.00 0.00 0.00 179.25 182.63 2kmi h TRP 119 N 0.22 0.37 -0.05 0.00 2.91 0.14 0.28 115.95 119.82 2kmi h TRP 119 Ca 0.01 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 2kmi h TRP 119 Cb 0.92 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 2kmi h TRP 119 CO 0.02 0.10 -0.06 1.49 -1.03 0.00 0.00 178.44 178.96 2kmi h GLU 120 N 0.28 0.13 0.35 2.65 4.81 -1.52 -1.86 114.58 119.42 2kmi h GLU 120 Ca 0.44 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 2kmi h GLU 120 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2kmi h GLU 120 CO -0.12 0.59 -0.17 0.82 -0.73 0.00 0.00 179.01 179.40 2kmi h ILE 121 N -0.33 0.60 -0.53 2.32 2.04 -1.27 -3.02 117.51 117.34 2kmi h ILE 121 Ca 0.01 -0.56 0.15 0.00 1.00 0.00 0.00 64.86 65.46 2kmi h ILE 121 Cb 0.57 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2kmi h ILE 121 CO 0.01 0.10 0.38 0.07 0.00 0.00 0.00 178.15 178.71 2kmi h LYS 122 N -0.82 0.01 -0.73 2.37 5.09 -0.62 -1.28 116.57 120.58 2kmi h LYS 122 Ca -0.05 -0.00 0.13 0.00 0.09 0.00 0.00 60.65 60.82 2kmi h LYS 122 Cb 0.53 -0.00 -0.09 0.00 0.10 0.00 0.00 32.23 32.76 2kmi h LYS 122 CO 0.08 0.00 0.29 -0.44 -2.09 0.00 0.00 179.45 177.29 2kmi h ASP 123 N 0.01 0.27 0.27 7.07 5.19 -1.19 0.27 116.42 128.31 2kmi h ASP 123 Ca 0.25 0.10 -0.12 0.00 -0.62 0.00 0.00 57.03 56.64 2kmi h ASP 123 Cb 0.99 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2kmi h ASP 123 CO -0.00 0.11 -0.48 0.15 -3.12 0.00 0.00 179.24 175.90 2kmi h PHE 124 N 0.44 0.29 0.39 4.55 3.04 -1.31 -2.84 116.94 121.51 2kmi h PHE 124 Ca 0.40 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 2kmi h PHE 124 Cb 0.58 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.03 2kmi h PHE 124 CO -0.17 0.68 -0.19 -0.07 -2.02 0.00 0.00 178.31 176.54 2kmi h LEU 125 N 0.20 -0.44 -2.00 0.59 -0.00 -0.88 -3.16 115.31 109.62 2kmi h LEU 125 Ca 0.01 -0.10 0.24 0.00 -0.00 0.00 0.00 57.88 58.03 2kmi h LEU 125 Cb 0.92 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2kmi h LEU 125 CO 0.07 -0.01 0.60 1.62 -0.00 0.00 0.00 178.44 180.73 2kmi h VAL 126 N -1.02 0.58 -0.73 1.22 3.04 -0.64 0.13 116.25 118.84 2kmi h VAL 126 Ca -0.05 -0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.84 2kmi h VAL 126 Cb 0.52 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 2kmi h VAL 126 CO 0.09 0.00 0.52 -1.28 -1.01 0.00 0.00 177.57 175.89 2kmi h SER 127 N 0.00 0.04 -0.26 3.17 0.87 -1.46 0.12 113.55 116.03 2kmi h SER 127 Ca 0.40 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.80 2kmi h SER 127 Cb 1.60 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2kmi h SER 127 CO -0.00 0.02 -0.42 -0.61 -0.53 0.00 0.00 176.83 175.28 2kmi h GLN 128 N 0.04 0.82 -2.58 2.24 5.75 -0.86 -3.47 115.11 117.06 2kmi h GLN 128 Ca 0.35 -0.45 -0.35 0.00 -0.15 0.00 0.00 58.65 58.06 2kmi h GLN 128 Cb 1.34 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.90 2kmi h GLN 128 CO -0.02 1.08 -0.45 -3.47 -2.65 0.00 0.00 178.83 173.32 2kmi n ASP 129 N -4.04 -5.13 -2.65 -0.69 -0.08 0.41 -4.87 116.55 99.50 2kmi n ASP 129 Ca -0.02 -0.03 -0.04 0.00 -1.51 0.00 0.00 54.79 53.18 2kmi n ASP 129 Cb 0.55 -4.20 0.08 0.00 2.34 0.00 0.00 41.12 39.89 2kmi n ASP 129 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2kmi n ARG 130 N -2.73 0.03 -3.75 -0.67 1.85 -0.83 -4.71 116.66 105.85 2kmi n ARG 130 Ca -0.20 -0.55 -0.13 0.00 -1.00 0.00 0.00 57.85 55.97 2kmi n ARG 130 Cb 0.65 -0.06 -0.10 0.00 -1.05 0.00 0.00 32.46 31.91 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kmi s ALA 132 N -0.58 1.96 -0.13 0.00 0.00 -1.26 -1.84 121.76 119.90 2kmi s ALA 132 Ca -0.07 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2kmi s ALA 132 Cb -0.04 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.08 2kmi s ALA 132 CO 0.02 -0.29 0.36 -1.21 0.00 0.00 0.00 175.76 174.65 2kmi s GLU 133 N 1.29 0.43 -0.14 0.00 8.01 0.92 -3.74 118.70 125.48 2kmi s GLU 133 Ca 0.02 0.48 -0.12 0.00 0.01 0.00 0.00 54.97 55.36 2kmi s GLU 133 Cb -0.13 0.21 0.04 0.00 -4.31 0.00 0.00 34.13 29.93 2kmi s GLU 133 CO -0.09 -0.05 0.36 0.54 0.01 0.00 0.00 175.26 176.03 2kmi s VAL 134 N 0.15 -0.01 -0.10 2.63 0.11 -1.20 -0.21 120.40 121.77 2kmi s VAL 134 Ca -0.00 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2kmi s VAL 134 Cb -0.03 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2kmi s VAL 134 CO 0.01 0.01 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.86 2kmi s THR 135 N 0.47 0.73 -0.15 5.04 2.01 0.99 -4.35 115.64 120.39 2kmi s THR 135 Ca -0.02 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.70 2kmi s THR 135 Cb -0.04 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.67 2kmi s THR 135 CO -0.02 0.28 0.39 -1.48 -0.69 0.00 0.00 174.62 173.09 2kmi s LEU 136 N 1.82 0.44 0.15 4.42 2.34 -1.26 -3.20 118.68 123.39 2kmi s LEU 136 Ca 0.04 0.79 -0.21 0.00 0.06 0.00 0.00 54.13 54.81 2kmi s LEU 136 Cb -0.13 1.32 0.06 0.00 -0.56 0.00 0.00 46.19 46.89 2kmi s LEU 136 CO -0.07 -0.14 0.54 -1.61 -1.06 0.00 0.00 176.35 174.01 2kmi s GLU 137 N 0.36 1.22 0.00 1.48 0.41 -1.26 -5.05 118.70 115.86 2kmi s GLU 137 Ca -0.01 -0.54 0.05 0.00 -0.41 0.00 0.00 54.97 54.06 2kmi s GLU 137 Cb -0.03 0.56 -0.02 0.00 -1.78 0.00 0.00 34.13 32.85 2kmi s GLU 137 CO -0.01 -0.52 0.35 0.41 -0.49 0.00 0.00 175.26 175.00 2kmi n GLY 138 N -0.34 0.04 3.24 -1.39 0.00 -1.26 -3.88 105.19 101.61 2kmi n GLY 138 Ca -0.17 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.09 2.69 -1.65 1.61 -1.52 -1.26 -4.63 119.66 113.81 2kmi s GLN 139 Ca 0.03 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 2kmi s GLN 139 Cb 0.04 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 2kmi s GLN 139 CO 0.14 0.30 0.00 -1.33 -0.25 0.00 0.00 175.29 174.15 2kmi n MET 140 N 3.17 -1.26 -3.45 2.91 2.81 -1.26 -4.73 117.12 115.31 2kmi n MET 140 Ca -0.18 0.98 -0.27 0.00 -1.81 0.00 0.00 57.70 56.41 2kmi n MET 140 Cb 0.52 -5.30 -0.10 0.00 -0.71 0.00 0.00 33.22 27.63 2kmi n MET 140 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2kmi s TYR 141 N -2.73 1.33 0.16 2.03 2.02 -1.26 -0.08 117.35 118.81 2kmi s TYR 141 Ca 0.00 -2.41 -0.31 0.00 -0.37 0.00 0.00 57.07 53.99 2kmi s TYR 141 Cb 0.00 -1.10 -0.08 0.00 -0.40 0.00 0.00 41.96 40.38 2kmi s TYR 141 CO 0.00 -0.80 1.33 -1.25 -1.57 0.00 0.00 175.55 173.26 2kmi s PRO 142 N -0.06 4.37 -0.45 -1.71 0.04 -1.26 -0.80 135.00 135.13 2kmi s PRO 142 Ca 0.32 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.46 2kmi s PRO 142 Cb 0.02 -3.23 0.25 0.00 0.04 0.00 0.00 34.50 31.58 2kmi s PRO 142 CO -0.19 -0.32 0.74 0.41 0.04 0.00 0.00 177.00 177.69 2kmi n GLY 143 N 2.84 1.28 0.00 0.56 0.00 -1.23 -4.48 105.19 104.16 2kmi n GLY 143 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2kmi n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kmi n LYS 144 N 1.47 0.00 0.00 1.61 4.81 -1.26 -3.52 118.16 121.27 2kmi n LYS 144 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2kmi n LYS 144 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98