#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 0.11 0.57 5.56 1.02 -1.26 -5.01 119.74 120.73 2kmi s LYS 2 Ca 0.00 0.20 0.28 0.00 0.02 0.00 0.00 55.97 56.47 2kmi s LYS 2 Cb 0.00 0.03 1.52 0.00 -0.52 0.00 0.00 37.83 38.87 2kmi s LYS 2 CO 0.00 -0.02 2.01 0.87 -0.92 0.00 0.00 175.35 177.28 2kmi h LYS 3 N 5.51 0.00 -0.96 1.68 6.56 -2.00 0.24 116.57 127.60 2kmi h LYS 3 Ca -0.25 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 58.98 2kmi h LYS 3 Cb 1.16 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.60 2kmi h LYS 3 CO 0.21 0.00 0.46 0.36 -2.06 0.00 0.00 179.45 178.42 2kmi n LYS 4 N -3.94 2.27 -1.35 3.15 2.85 -1.26 -0.13 118.16 119.75 2kmi n LYS 4 Ca 0.06 -2.41 -0.38 0.00 -1.05 0.00 0.00 58.31 54.52 2kmi n LYS 4 Cb 0.50 -1.96 -0.02 0.00 -0.65 0.00 0.00 35.03 32.90 2kmi n LYS 4 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kmi n ASP 5 N -0.65 5.17 -4.61 -5.58 8.00 0.84 -4.87 116.55 114.86 2kmi n ASP 5 Ca 0.45 -2.66 -0.29 0.00 0.71 0.00 0.00 54.79 53.00 2kmi n ASP 5 Cb 1.38 -1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.95 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2kmi s ILE 6 N 3.27 1.40 -1.55 0.53 -5.25 -1.26 -4.82 121.20 113.52 2kmi s ILE 6 Ca 0.54 -2.00 -0.09 0.00 -0.99 0.00 0.00 60.65 58.11 2kmi s ILE 6 Cb 0.15 -2.54 -0.04 0.00 2.95 0.00 0.00 42.46 42.98 2kmi s ILE 6 CO -0.03 0.00 2.81 0.54 -1.79 0.00 0.00 174.94 176.47 2kmi n ARG 7 N -1.06 3.91 -2.79 0.37 1.74 -1.26 -4.56 116.66 113.01 2kmi n ARG 7 Ca -0.11 -2.52 -0.17 0.00 -0.77 0.00 0.00 57.85 54.28 2kmi n ARG 7 Cb 0.67 -2.77 -0.00 0.00 -1.02 0.00 0.00 32.46 29.34 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kmi n ASP 8 N 3.17 -4.14 -2.52 0.55 2.03 -1.26 -3.68 116.55 110.71 2kmi n ASP 8 Ca 0.74 -0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.98 2kmi n ASP 8 Cb 0.24 -3.46 -0.03 0.00 -0.72 0.00 0.00 41.12 37.15 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kmi n TYR 9 N -3.70 -3.87 0.00 -0.67 4.01 -1.26 -5.04 117.16 106.62 2kmi n TYR 9 Ca -0.10 2.07 0.00 0.00 -0.16 0.00 0.00 57.90 59.70 2kmi n TYR 9 Cb 0.59 -3.71 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kmi n ASN 10 N 1.19 0.00 -2.00 7.72 4.13 -1.24 -5.01 115.26 120.04 2kmi n ASN 10 Ca -0.24 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.04 2kmi n ASN 10 Cb 0.37 0.16 0.03 0.00 -1.54 0.00 0.00 39.78 38.80 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2kmi n ASP 11 N -1.83 0.98 0.10 6.41 5.68 -1.26 -4.88 116.55 121.74 2kmi n ASP 11 Ca 0.00 -2.02 -0.02 0.00 -0.50 0.00 0.00 54.79 52.25 2kmi n ASP 11 Cb 0.00 -0.29 0.20 0.00 -1.14 0.00 0.00 41.12 39.90 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kmi h ALA 12 N 1.52 1.05 -1.00 2.12 0.00 -1.95 -3.05 119.26 117.96 2kmi h ALA 12 Ca -0.23 -0.44 0.16 0.00 0.00 0.00 0.00 54.91 54.40 2kmi h ALA 12 Cb 1.62 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 2kmi h ALA 12 CO 0.09 0.62 0.62 0.38 0.00 0.00 0.00 179.25 180.96 2kmi h ASP 13 N 0.18 0.84 -0.35 0.00 2.03 -1.94 0.23 116.42 117.41 2kmi h ASP 13 Ca 0.01 0.08 0.10 0.00 -0.73 0.00 0.00 57.03 56.49 2kmi h ASP 13 Cb 0.89 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.29 2kmi h ASP 13 CO 0.07 0.36 0.34 -0.03 -1.03 0.00 0.00 179.24 178.95 2kmi h MET 14 N 0.86 0.00 -0.00 4.15 4.05 -1.76 0.15 114.93 122.38 2kmi h MET 14 Ca 0.54 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.97 2kmi h MET 14 Cb 0.73 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 2kmi h MET 14 CO -0.33 0.00 0.01 0.00 0.23 0.00 0.00 176.91 176.81 2kmi h ALA 15 N 1.66 1.30 -0.74 0.39 0.00 -0.69 -1.98 119.26 119.20 2kmi h ALA 15 Ca 0.17 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.29 2kmi h ALA 15 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2kmi h ALA 15 CO -0.00 -0.01 0.56 -0.09 0.00 0.00 0.00 179.25 179.71 2kmi h ARG 16 N 0.00 0.00 -0.20 0.00 2.43 -0.82 0.25 114.38 116.04 2kmi h ARG 16 Ca 0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2kmi h ARG 16 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2kmi h ARG 16 CO -0.00 0.00 0.25 1.37 -1.51 0.00 0.00 179.97 180.08 2kmi h LEU 17 N 0.00 0.00 -1.66 3.80 8.10 -1.57 -0.78 115.31 123.21 2kmi h LEU 17 Ca 0.35 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.51 2kmi h LEU 17 Cb 1.47 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.64 2kmi h LEU 17 CO -0.00 0.00 0.51 0.25 -4.11 0.00 0.00 178.44 175.08 2kmi h LEU 18 N 0.00 0.31 -2.23 0.17 5.85 -0.72 0.19 115.31 118.89 2kmi h LEU 18 Ca 0.09 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2kmi h LEU 18 Cb 0.60 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2kmi h LEU 18 CO -0.00 0.16 0.24 -0.08 -0.34 0.00 0.00 178.44 178.41 2kmi h GLU 19 N 0.33 0.00 -0.12 1.25 4.57 -1.33 -0.05 114.58 119.22 2kmi h GLU 19 Ca 0.37 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.59 2kmi h GLU 19 Cb 0.97 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2kmi h GLU 19 CO -0.10 0.00 0.20 0.37 -1.18 0.00 0.00 179.01 178.29 2kmi h GLN 20 N 0.00 0.00 -1.00 1.92 -0.00 -0.76 -1.68 115.11 113.59 2kmi h GLN 20 Ca 0.08 0.00 0.18 0.00 -0.00 0.00 0.00 58.65 58.92 2kmi h GLN 20 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 27.93 2kmi h GLN 20 CO -0.00 0.00 0.61 2.35 0.00 0.00 0.00 178.83 181.79 2kmi h TRP 21 N 0.00 1.07 0.04 3.99 7.01 -1.18 -3.00 115.95 123.87 2kmi h TRP 21 Ca 0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2kmi h TRP 21 Cb 0.45 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2kmi h TRP 21 CO 0.00 0.25 -0.02 1.49 -2.79 0.00 0.00 178.44 177.37 2kmi h GLU 22 N 0.78 -0.05 -1.08 2.65 4.57 -1.53 -3.47 114.58 116.44 2kmi h GLU 22 Ca 0.57 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.38 2kmi h GLU 22 Cb 0.86 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.33 2kmi h GLU 22 CO -0.37 -0.03 -0.35 1.17 -1.18 0.00 0.00 179.01 178.24 2kmi n LYS 23 N -4.31 -1.29 0.23 1.92 0.00 -1.14 -4.85 118.16 108.73 2kmi n LYS 23 Ca -0.01 1.11 0.10 0.00 0.00 0.00 0.00 58.31 59.51 2kmi n LYS 23 Cb 0.02 -5.41 0.53 0.00 0.00 0.00 0.00 35.03 30.17 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kmi h ASP 24 N 0.00 0.00 -5.73 3.14 3.58 -1.85 -3.47 116.42 112.08 2kmi h ASP 24 Ca -0.38 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.72 2kmi h ASP 24 Cb 1.20 0.00 0.15 0.00 1.72 0.00 0.00 39.33 42.41 2kmi h ASP 24 CO 0.54 0.22 -0.75 -0.67 -2.88 0.00 0.00 179.24 175.71 2kmi n ASP 25 N -3.53 -3.31 -0.17 2.28 2.03 -1.26 -4.86 116.55 107.74 2kmi n ASP 25 Ca -0.01 -0.61 0.24 0.00 0.52 0.00 0.00 54.79 54.94 2kmi n ASP 25 Cb 0.38 -5.05 0.66 0.00 -0.72 0.00 0.00 41.12 36.38 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 -2.14 0.12 -4.33 1.67 1.82 -1.75 -3.39 116.42 108.42 2kmi h ASP 26 Ca -0.58 0.01 -0.58 0.00 -0.39 0.00 0.00 57.03 55.49 2kmi h ASP 26 Cb 1.35 -0.01 -0.30 0.00 0.68 0.00 0.00 39.33 41.05 2kmi h ASP 26 CO 0.52 0.05 -0.85 -0.63 -1.61 0.00 0.00 179.24 176.72 2kmi s ILE 27 N -5.12 1.52 -0.02 2.25 -1.09 -1.26 -5.01 121.20 112.47 2kmi s ILE 27 Ca -0.06 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 2kmi s ILE 27 Cb 0.22 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.78 2kmi s ILE 27 CO 0.77 0.43 0.04 -1.84 -1.23 0.00 0.00 174.94 173.11 2kmi n GLU 28 N 2.66 2.17 -3.36 2.79 -0.00 -1.26 -4.98 120.64 118.67 2kmi n GLU 28 Ca -0.15 -0.01 -0.34 0.00 -0.00 0.00 0.00 57.16 56.66 2kmi n GLU 28 Cb 0.53 -1.09 -0.06 0.00 -0.00 0.00 0.00 31.44 30.83 2kmi n GLU 28 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2kmi s GLU 29 N -2.15 3.91 0.00 3.44 2.02 -1.26 -4.94 118.70 119.72 2kmi s GLU 29 Ca -0.02 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.40 2kmi s GLU 29 Cb 0.02 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2kmi s GLU 29 CO 0.15 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.21 2kmi n GLY 30 N 0.28 0.00 3.75 -1.39 0.00 -1.24 -4.34 105.19 102.26 2kmi n GLY 30 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 7.28 0.20 1.61 1.11 -1.26 -3.43 116.67 122.18 2kmi s ASP 31 Ca 0.00 1.53 0.07 0.00 0.18 0.00 0.00 52.55 54.33 2kmi s ASP 31 Cb 0.00 -2.49 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 2kmi s ASP 31 CO 0.00 0.05 -0.13 -0.76 1.18 0.00 0.00 175.17 175.52 2kmi s LEU 32 N -0.31 2.53 -0.47 1.23 1.02 -1.26 -5.00 118.68 116.42 2kmi s LEU 32 Ca 0.39 -1.04 -0.28 0.00 0.02 0.00 0.00 54.13 53.22 2kmi s LEU 32 Cb -0.21 -0.61 -0.02 0.00 0.02 0.00 0.00 46.19 45.37 2kmi s LEU 32 CO 0.24 -0.22 1.78 -2.16 0.02 0.00 0.00 176.35 176.01 2kmi s PRO 33 N -3.67 3.03 -0.19 1.29 0.04 -1.26 -4.95 135.00 129.29 2kmi s PRO 33 Ca 0.23 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2kmi s PRO 33 Cb 0.00 -4.27 0.07 0.00 0.04 0.00 0.00 34.50 30.35 2kmi s PRO 33 CO 0.06 -2.23 0.44 -1.83 0.04 0.00 0.00 177.00 173.48 2kmi s GLU 34 N 6.22 0.40 0.00 4.56 -1.05 -1.26 -5.04 118.70 122.53 2kmi s GLU 34 Ca 0.71 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 56.46 2kmi s GLU 34 Cb -0.17 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.65 2kmi s GLU 34 CO 0.27 -0.19 0.00 -2.39 0.95 0.00 0.00 175.26 173.90 2kmi n HIS 35 N 4.68 0.00 -3.64 4.83 1.44 -1.26 -5.10 115.22 116.16 2kmi n HIS 35 Ca -0.18 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.50 2kmi n HIS 35 Cb 0.53 0.45 -0.07 0.00 0.12 0.00 0.00 29.99 31.03 2kmi n HIS 35 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2kmi s LYS 36 N -1.94 0.28 0.28 -1.40 -2.85 -1.26 -4.86 119.74 107.98 2kmi s LYS 36 Ca 0.00 0.40 0.09 0.00 -1.00 0.00 0.00 55.97 55.46 2kmi s LYS 36 Cb 0.00 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 2kmi s LYS 36 CO 0.00 -0.04 0.01 1.03 0.10 0.00 0.00 175.35 176.44 2kmi s ARG 37 N 0.65 2.28 0.59 1.78 0.52 -1.26 -5.02 118.95 118.49 2kmi s ARG 37 Ca -0.01 -1.45 -0.18 0.00 -0.52 0.00 0.00 55.73 53.57 2kmi s ARG 37 Cb -0.04 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 2kmi s ARG 37 CO -0.12 0.33 1.12 -1.25 0.02 0.00 0.00 175.30 175.40 2kmi s PRO 38 N -3.69 3.14 -0.41 3.54 0.04 -1.26 -4.63 135.00 131.73 2kmi s PRO 38 Ca 0.32 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2kmi s PRO 38 Cb -0.06 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2kmi s PRO 38 CO 0.20 -1.00 0.30 0.45 0.04 0.00 0.00 177.00 176.98 2kmi s SER 39 N -2.12 6.10 -0.27 6.66 0.15 -1.26 -4.96 113.70 118.00 2kmi s SER 39 Ca 0.70 -0.91 -0.38 0.00 0.70 0.00 0.00 55.95 56.06 2kmi s SER 39 Cb -0.22 -2.16 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 2kmi s SER 39 CO 0.33 -0.45 1.34 0.00 1.20 0.00 0.00 173.24 175.66 2kmi s ALA 40 N 1.68 -2.18 -0.12 5.45 0.00 -1.26 -5.13 121.76 120.20 2kmi s ALA 40 Ca 0.05 1.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.56 2kmi s ALA 40 Cb -0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 2kmi s ALA 40 CO 0.10 -0.56 1.54 -1.25 0.00 0.00 0.00 175.76 175.59 2kmi s PRO 41 N -2.12 4.11 -0.16 0.00 0.04 -1.26 -4.69 135.00 130.91 2kmi s PRO 41 Ca 0.11 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2kmi s PRO 41 Cb -0.01 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2kmi s PRO 41 CO -0.03 -0.91 -0.19 -1.50 0.04 0.00 0.00 177.00 174.41 2kmi s ILE 42 N 4.15 1.95 0.10 0.56 2.07 -1.26 -5.08 121.20 123.69 2kmi s ILE 42 Ca 0.68 -0.89 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 2kmi s ILE 42 Cb -0.28 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.51 2kmi s ILE 42 CO 0.26 0.52 -0.09 -1.81 -1.91 0.00 0.00 174.94 171.91 2kmi s ASP 43 N 1.14 1.30 0.36 4.50 1.01 -1.26 -3.93 116.67 119.79 2kmi s ASP 43 Ca 0.00 -0.87 0.19 0.00 0.71 0.00 0.00 52.55 52.58 2kmi s ASP 43 Cb -0.14 0.04 0.57 0.00 1.01 0.00 0.00 42.92 44.40 2kmi s ASP 43 CO -0.08 -0.33 1.68 0.15 0.21 0.00 0.00 175.17 176.79 2kmi h PHE 44 N 3.39 0.00 0.00 4.23 3.04 -1.53 -3.36 116.94 122.71 2kmi h PHE 44 Ca -0.36 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.50 2kmi h PHE 44 Cb 1.18 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 39.56 2kmi h PHE 44 CO 0.62 0.37 -0.40 0.43 -2.02 0.00 0.00 178.31 177.31 2kmi n SER 45 N -3.41 -0.18 -2.20 0.41 7.64 -1.26 -5.10 113.62 109.52 2kmi n SER 45 Ca 0.00 -1.74 -0.01 0.00 1.01 0.00 0.00 58.87 58.13 2kmi n SER 45 Cb 0.55 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.76 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kmi n LYS 46 N 0.11 -4.16 -3.16 1.43 5.02 -1.26 -4.90 118.16 111.24 2kmi n LYS 46 Ca -0.10 3.14 -0.45 0.00 -2.02 0.00 0.00 58.31 58.88 2kmi n LYS 46 Cb 0.74 -4.11 -0.04 0.00 -0.02 0.00 0.00 35.03 31.61 2kmi n LYS 46 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kmi s LEU 47 N -0.51 5.71 -0.56 -0.35 0.20 -1.26 -4.93 118.68 116.98 2kmi s LEU 47 Ca -0.07 -1.78 0.07 0.00 0.69 0.00 0.00 54.13 53.04 2kmi s LEU 47 Cb 0.00 -2.28 0.26 0.00 -0.43 0.00 0.00 46.19 43.74 2kmi s LEU 47 CO 0.20 -0.98 0.70 -0.90 -0.29 0.00 0.00 176.35 175.07 2kmi n ASP 48 N 5.79 2.72 0.19 3.68 5.68 -1.26 -4.89 116.55 128.45 2kmi n ASP 48 Ca -0.02 -3.24 0.14 0.00 -0.50 0.00 0.00 54.79 51.17 2kmi n ASP 48 Cb 0.44 -0.65 0.58 0.00 -1.14 0.00 0.00 41.12 40.34 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2kmi h PRO 49 N 4.02 0.00 0.00 0.11 0.13 -2.03 -3.46 132.00 130.77 2kmi h PRO 49 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2kmi h PRO 49 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kmi h PRO 49 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2kmi n GLY 50 N -0.03 0.58 3.75 1.56 0.00 -1.26 -5.05 105.19 104.73 2kmi n GLY 50 Ca 0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2kmi n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 51 N -1.39 1.99 0.48 1.61 1.02 -1.26 -5.00 119.74 117.19 2kmi s LYS 51 Ca 0.00 1.16 -0.22 0.00 0.02 0.00 0.00 55.97 56.93 2kmi s LYS 51 Cb 0.00 -1.87 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 2kmi s LYS 51 CO 0.00 -1.83 1.15 -1.25 -0.92 0.00 0.00 175.35 172.50 2kmi s PRO 52 N -4.88 3.64 0.28 -1.68 0.04 -1.26 -4.95 135.00 126.18 2kmi s PRO 52 Ca 0.62 1.73 0.14 0.00 0.04 0.00 0.00 61.00 63.53 2kmi s PRO 52 Cb -0.18 -2.29 0.21 0.00 0.04 0.00 0.00 34.50 32.29 2kmi s PRO 52 CO 0.56 -0.64 1.51 1.05 0.04 0.00 0.00 177.00 179.52 2kmi h GLU 53 N 1.79 0.00 0.52 4.56 4.11 -1.99 -3.23 114.58 120.34 2kmi h GLU 53 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 2kmi h GLU 53 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2kmi h GLU 53 CO 0.59 0.57 -0.34 0.77 0.07 0.00 0.00 179.01 180.67 2kmi h SER 54 N 0.00 -0.86 -0.22 3.06 0.02 -1.98 0.11 113.55 113.67 2kmi h SER 54 Ca -0.01 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2kmi h SER 54 Cb 1.30 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 64.07 2kmi h SER 54 CO 0.07 -0.52 0.02 0.40 -1.14 0.00 0.00 176.83 175.66 2kmi h ILE 55 N -0.82 0.87 -0.77 3.27 2.04 -1.98 -1.18 117.51 118.93 2kmi h ILE 55 Ca -0.06 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2kmi h ILE 55 Cb 0.68 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2kmi h ILE 55 CO 0.05 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.65 2kmi h LEU 56 N 0.10 0.74 -1.10 1.44 -0.00 -1.54 -0.42 115.31 114.53 2kmi h LEU 56 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 2kmi h LEU 56 Cb 0.12 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2kmi h LEU 56 CO -0.16 0.48 -0.41 0.50 -0.00 0.00 0.00 178.44 178.86 2kmi h LYS 57 N 0.85 0.00 -0.58 1.13 3.64 0.03 -3.09 116.57 118.56 2kmi h LYS 57 Ca 0.33 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 2kmi h LYS 57 Cb 0.21 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2kmi h LYS 57 CO -0.11 0.41 0.29 1.98 -2.27 0.00 0.00 179.45 179.75 2kmi h MET 58 N 0.00 0.53 -6.03 1.90 4.05 0.11 -3.42 114.93 112.07 2kmi h MET 58 Ca -0.00 -0.03 -0.57 0.00 -0.28 0.00 0.00 59.70 58.81 2kmi h MET 58 Cb 0.81 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 2kmi h MET 58 CO 0.05 0.35 -0.49 -0.08 0.23 0.00 0.00 176.91 176.97 2kmi s THR 59 N -6.11 5.24 -0.24 -0.77 -1.32 -1.17 -5.11 115.64 106.17 2kmi s THR 59 Ca -0.13 -0.64 -0.28 0.00 -1.21 0.00 0.00 61.69 59.43 2kmi s THR 59 Cb 0.15 -3.65 0.15 0.00 -1.51 0.00 0.00 72.50 67.64 2kmi s THR 59 CO 0.74 -0.02 1.15 -1.59 -2.21 0.00 0.00 174.62 172.70 2kmi s LYS 60 N -2.99 0.38 0.16 7.08 -2.85 -1.26 -4.91 119.74 115.35 2kmi s LYS 60 Ca 0.34 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.52 2kmi s LYS 60 Cb -0.12 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2kmi s LYS 60 CO 0.28 -0.09 0.00 1.63 0.10 0.00 0.00 175.35 177.26 2kmi n LYS 61 N 1.16 0.00 -1.47 1.78 4.01 -1.26 -5.08 118.16 117.31 2kmi n LYS 61 Ca -0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 2kmi n LYS 61 Cb 0.57 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.91 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 2.43 0.98 3.27 0.72 0.00 -1.26 -4.92 105.19 106.41 2kmi n GLY 62 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.01 0.50 0.63 1.61 -0.14 -0.74 -2.54 119.74 116.05 2kmi s LYS 63 Ca 0.00 0.36 -0.02 0.00 -1.36 0.00 0.00 55.97 54.95 2kmi s LYS 63 Cb 0.00 0.24 0.05 0.00 -1.68 0.00 0.00 37.83 36.44 2kmi s LYS 63 CO 0.00 -0.09 0.89 -0.08 -0.76 0.00 0.00 175.35 175.31 2kmi s THR 64 N -0.17 2.47 -0.17 2.17 -1.32 -0.75 -4.35 115.64 113.52 2kmi s THR 64 Ca -0.03 -0.49 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 2kmi s THR 64 Cb -0.03 -2.98 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 2kmi s THR 64 CO 0.02 0.00 -0.18 -0.22 -2.21 0.00 0.00 174.62 172.02 2kmi s LEU 65 N -5.00 2.26 -0.30 9.08 2.96 -1.26 -4.73 118.68 121.69 2kmi s LEU 65 Ca 0.59 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2kmi s LEU 65 Cb -0.10 -1.51 0.17 0.00 0.50 0.00 0.00 46.19 45.25 2kmi s LEU 65 CO 0.41 0.03 0.79 -0.32 -1.32 0.00 0.00 176.35 175.95 2kmi s MET 66 N 1.10 0.43 -0.22 1.98 1.75 -1.20 -3.85 119.30 119.28 2kmi s MET 66 Ca 0.00 0.88 -0.11 0.00 -1.25 0.00 0.00 55.69 55.21 2kmi s MET 66 Cb -0.14 0.51 0.08 0.00 2.84 0.00 0.00 34.83 38.11 2kmi s MET 66 CO -0.07 -0.34 0.53 -1.64 -0.65 0.00 0.00 175.02 172.85 2kmi s MET 67 N 2.81 0.51 -0.12 4.11 -1.94 -1.18 -1.18 119.30 122.32 2kmi s MET 67 Ca 0.06 1.02 -0.01 0.00 -1.71 0.00 0.00 55.69 55.06 2kmi s MET 67 Cb -0.12 0.14 0.03 0.00 2.01 0.00 0.00 34.83 36.89 2kmi s MET 67 CO -0.18 -0.17 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.54 2kmi s PHE 68 N 1.73 1.43 0.00 -0.03 0.08 -0.05 -3.12 117.98 118.02 2kmi s PHE 68 Ca -0.09 -0.73 -0.10 0.00 0.12 0.00 0.00 56.93 56.14 2kmi s PHE 68 Cb -0.08 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2kmi s PHE 68 CO -0.16 -0.51 0.19 0.08 -0.10 0.00 0.00 175.22 174.73 2kmi s VAL 69 N 1.73 0.08 -0.44 -0.44 1.01 -1.19 -0.00 120.40 121.15 2kmi s VAL 69 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2kmi s VAL 69 Cb -0.13 -0.54 0.21 0.00 0.00 0.00 0.00 36.38 35.92 2kmi s VAL 69 CO -0.08 -0.36 0.91 1.07 0.00 0.00 0.00 175.10 176.64 2kmi n THR 70 N 1.30 0.00 -3.62 3.92 5.66 0.03 -2.00 114.28 119.57 2kmi n THR 70 Ca -0.22 -0.74 -0.03 0.00 -3.05 0.00 0.00 64.05 60.01 2kmi n THR 70 Cb 0.56 0.91 -0.01 0.00 -1.55 0.00 0.00 70.33 70.24 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 0.84 0.00 -0.25 1.08 0.11 -1.18 -0.78 120.40 120.22 2kmi s VAL 71 Ca 0.28 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 2kmi s VAL 71 Cb 0.08 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2kmi s VAL 71 CO -0.09 0.00 0.68 -0.55 -3.33 0.00 0.00 175.10 171.80 2kmi s SER 72 N -2.66 6.63 0.00 3.54 0.15 -1.26 -3.30 113.70 116.80 2kmi s SER 72 Ca 0.11 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2kmi s SER 72 Cb 0.01 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2kmi s SER 72 CO -0.04 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2kmi n GLY 73 N 4.08 1.45 2.67 9.45 0.00 -1.26 -3.60 105.19 117.98 2kmi n GLY 73 Ca 0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.47 -4.55 1.61 2.85 -1.24 -4.18 115.26 108.29 2kmi n ASN 74 Ca 0.00 -1.57 -0.38 0.00 -0.11 0.00 0.00 54.58 52.52 2kmi n ASN 74 Cb 0.00 0.79 -0.03 0.00 1.24 0.00 0.00 39.78 41.78 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 0.46 2.62 -0.33 1.20 0.04 -1.26 -4.04 135.00 133.69 2kmi s PRO 75 Ca 0.25 0.59 0.15 0.00 0.04 0.00 0.00 61.00 62.03 2kmi s PRO 75 Cb 0.18 -4.41 0.43 0.00 0.04 0.00 0.00 34.50 30.74 2kmi s PRO 75 CO -0.10 -2.76 1.39 0.25 0.04 0.00 0.00 177.00 175.83 2kmi n THR 76 N 7.23 0.33 -0.33 1.26 -2.24 -1.26 -4.96 114.28 114.31 2kmi n THR 76 Ca 0.21 -1.61 0.15 0.00 -2.27 0.00 0.00 64.05 60.52 2kmi n THR 76 Cb 0.52 1.05 0.37 0.00 -2.10 0.00 0.00 70.33 70.17 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 1.62 0.66 0.54 -0.78 -0.00 -1.85 0.25 114.58 115.02 2kmi h GLU 77 Ca -0.34 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.36 58.96 2kmi h GLU 77 Cb 1.29 -0.15 0.01 0.00 -0.00 0.00 0.00 28.75 29.89 2kmi h GLU 77 CO -0.05 0.44 -0.26 0.87 -0.00 0.00 0.00 179.01 180.01 2kmi h LYS 78 N 0.68 -0.70 -0.97 1.06 1.57 -1.99 -2.84 116.57 113.38 2kmi h LYS 78 Ca 0.55 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.50 2kmi h LYS 78 Cb 0.97 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.35 2kmi h LYS 78 CO -0.32 -0.40 0.62 1.49 -0.57 0.00 0.00 179.45 180.26 2kmi h GLU 79 N -1.10 0.90 -0.81 3.15 4.57 -1.82 -0.48 114.58 118.99 2kmi h GLU 79 Ca -0.07 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.11 2kmi h GLU 79 Cb 0.61 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 2kmi h GLU 79 CO 0.12 0.60 0.53 1.15 -1.18 0.00 0.00 179.01 180.23 2kmi h THR 80 N 0.93 1.06 -0.18 0.32 2.02 -0.52 -2.32 112.91 114.21 2kmi h THR 80 Ca 0.48 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.37 2kmi h THR 80 Cb 0.53 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2kmi h THR 80 CO -0.25 0.16 0.08 -0.08 0.37 0.00 0.00 175.52 175.81 2kmi h GLU 81 N 0.90 0.17 -0.16 6.66 4.22 -0.83 -1.31 114.58 124.23 2kmi h GLU 81 Ca 0.35 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.82 2kmi h GLU 81 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kmi h GLU 81 CO -0.12 0.11 0.23 1.49 -2.18 0.00 0.00 179.01 178.54 2kmi h GLU 82 N 0.18 0.00 -0.34 1.92 4.57 -1.36 0.13 114.58 119.68 2kmi h GLU 82 Ca 0.08 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 2kmi h GLU 82 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2kmi h GLU 82 CO -0.06 0.00 -0.08 0.82 -1.18 0.00 0.00 179.01 178.51 2kmi h ILE 83 N 0.00 1.22 -0.62 2.32 1.08 -1.11 -2.94 117.51 117.47 2kmi h ILE 83 Ca 0.08 -0.96 0.10 0.00 -0.39 0.00 0.00 64.86 63.69 2kmi h ILE 83 Cb 0.53 1.05 -0.08 0.00 -3.07 0.00 0.00 36.82 35.25 2kmi h ILE 83 CO -0.00 0.32 0.20 0.74 -0.69 0.00 0.00 178.15 178.72 2kmi h THR 84 N 0.52 0.72 -0.52 -0.27 2.02 -0.98 -1.56 112.91 112.84 2kmi h THR 84 Ca 0.10 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.18 2kmi h THR 84 Cb 0.45 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2kmi h THR 84 CO 0.02 0.07 0.32 0.77 0.37 0.00 0.00 175.52 177.07 2kmi h SER 85 N 0.36 0.52 -0.89 4.18 4.64 -1.64 -1.71 113.55 119.01 2kmi h SER 85 Ca 0.32 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.86 2kmi h SER 85 Cb 0.43 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 2kmi h SER 85 CO -0.34 0.37 0.61 -0.07 -0.87 0.00 0.00 176.83 176.52 2kmi h LEU 86 N 0.64 0.23 -1.22 5.97 3.38 -1.30 0.75 115.31 123.77 2kmi h LEU 86 Ca 0.21 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.39 2kmi h LEU 86 Cb 0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.65 2kmi h LEU 86 CO -0.09 0.09 0.61 -0.25 0.09 0.00 0.00 178.44 178.89 2kmi h TRP 87 N 0.23 0.86 -0.90 1.13 2.91 -1.07 0.21 115.95 119.32 2kmi h TRP 87 Ca 0.45 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.61 2kmi h TRP 87 Cb 1.38 -0.26 -0.08 0.00 -0.51 0.00 0.00 29.16 29.69 2kmi h TRP 87 CO -0.00 0.22 0.53 0.37 -1.03 0.00 0.00 178.44 178.53 2kmi h GLN 88 N 0.64 0.82 0.64 2.65 5.75 -0.96 -2.49 115.11 122.16 2kmi h GLN 88 Ca 0.52 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.95 2kmi h GLN 88 Cb 0.96 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2kmi h GLN 88 CO -0.28 0.54 -0.34 0.78 -2.65 0.00 0.00 178.83 176.88 2kmi h GLY 89 N 0.84 -0.96 0.32 2.39 0.00 -1.08 -2.36 103.07 102.24 2kmi h GLY 89 Ca 0.45 0.37 0.23 0.00 0.00 0.00 0.00 47.33 48.38 2kmi h GLY 89 CO -0.27 -0.35 0.61 0.23 0.00 0.00 0.00 176.54 176.76 2kmi h SER 90 N -0.91 0.00 -0.72 0.19 0.87 -1.45 -0.43 113.55 111.11 2kmi h SER 90 Ca -0.08 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 60.62 2kmi h SER 90 Cb 0.71 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.58 2kmi h SER 90 CO 0.12 0.00 0.24 0.25 -0.53 0.00 0.00 176.83 176.91 2kmi h LEU 91 N 0.00 0.16 -0.77 2.23 6.46 -0.99 0.67 115.31 123.08 2kmi h LEU 91 Ca 0.38 0.12 -0.13 0.00 -0.12 0.00 0.00 57.88 58.13 2kmi h LEU 91 Cb 1.60 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.65 2kmi h LEU 91 CO -0.00 0.05 -0.49 0.15 -0.62 0.00 0.00 178.44 177.52 2kmi h PHE 92 N 0.36 0.36 0.63 1.25 3.04 -1.15 -3.28 116.94 118.16 2kmi h PHE 92 Ca 0.39 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 2kmi h PHE 92 Cb 0.61 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2kmi h PHE 92 CO -0.20 0.74 -0.50 -0.97 -2.02 0.00 0.00 178.31 175.35 2kmi h ASN 93 N 0.24 -1.34 0.00 0.41 -1.24 -0.85 -3.42 115.58 109.39 2kmi h ASN 93 Ca 0.01 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.11 2kmi h ASN 93 Cb 0.96 0.42 0.00 0.00 0.73 0.00 0.00 38.32 40.43 2kmi h ASN 93 CO 0.08 -0.71 0.00 0.00 -1.29 0.00 0.00 177.43 175.51 2kmi n ALA 94 N -2.78 2.06 0.00 1.57 0.00 -0.85 -1.31 120.51 119.20 2kmi n ALA 94 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kmi n ALA 94 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.40 0.00 -2.56 0.00 6.94 -1.25 -4.94 115.26 112.05 2kmi n ASN 95 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.50 2kmi n ASN 95 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 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 -4.40 -3.52 -2.53 4.01 -1.26 -4.96 117.16 104.50 2kmi n TYR 96 Ca 0.00 2.57 -0.30 0.00 -0.16 0.00 0.00 57.90 60.00 2kmi n TYR 96 Cb 0.00 -3.87 -0.08 0.00 -0.31 0.00 0.00 39.34 35.08 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 1.66 3.96 -3.96 7.72 8.00 -1.25 -5.04 116.55 127.64 2kmi n ASP 97 Ca -0.42 -3.34 -0.12 0.00 0.71 0.00 0.00 54.79 51.61 2kmi n ASP 97 Cb 0.65 -0.82 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.11 0.24 0.03 2.53 1.01 -1.26 -1.47 120.40 119.36 2kmi s VAL 98 Ca 0.33 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2kmi s VAL 98 Cb 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 2kmi s VAL 98 CO -0.05 -0.20 -0.11 0.00 0.00 0.00 0.00 175.10 174.73 2kmi s GLN 99 N -0.79 0.77 0.02 2.72 1.03 0.59 -4.91 119.66 119.09 2kmi s GLN 99 Ca -0.06 -0.64 0.05 0.00 0.04 0.00 0.00 55.36 54.75 2kmi s GLN 99 Cb -0.05 -0.73 -0.02 0.00 0.03 0.00 0.00 33.01 32.24 2kmi s GLN 99 CO -0.00 0.18 -0.14 0.50 -2.54 0.00 0.00 175.29 173.29 2kmi s ARG 100 N -0.99 0.99 -0.08 9.60 3.00 0.82 -1.71 118.95 130.59 2kmi s ARG 100 Ca -0.00 -0.64 -0.14 0.00 -1.00 0.00 0.00 55.73 53.94 2kmi s ARG 100 Cb -0.07 -0.98 0.03 0.00 0.00 0.00 0.00 34.95 33.93 2kmi s ARG 100 CO 0.01 0.25 0.35 0.12 0.00 0.00 0.00 175.30 176.03 2kmi s PHE 101 N -0.64 -0.30 -0.08 5.12 5.36 -1.09 -3.97 117.98 122.38 2kmi s PHE 101 Ca 0.03 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 2kmi s PHE 101 Cb -0.07 0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.76 2kmi s PHE 101 CO 0.01 -0.30 -0.09 0.42 -1.46 0.00 0.00 175.22 173.79 2kmi s ILE 102 N -0.57 0.99 -0.19 3.12 1.01 -1.26 -2.89 121.20 121.41 2kmi s ILE 102 Ca -0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2kmi s ILE 102 Cb -0.04 -0.96 0.09 0.00 0.01 0.00 0.00 42.46 41.57 2kmi s ILE 102 CO 0.03 0.34 0.35 0.54 0.00 0.00 0.00 174.94 176.20 2kmi s VAL 103 N 1.10 -0.56 0.00 2.92 0.11 -1.18 -5.07 120.40 117.72 2kmi s VAL 103 Ca -0.07 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2kmi s VAL 103 Cb -0.14 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2kmi s VAL 103 CO -0.01 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2kmi n GLY 104 N 5.37 0.96 0.74 6.54 0.00 -1.26 -3.11 105.19 114.42 2kmi n GLY 104 Ca -0.07 -0.78 0.11 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 1.34 2.22 -4.21 1.61 7.64 -1.26 -4.86 113.62 116.11 2kmi n SER 105 Ca 0.00 -1.80 -0.27 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 -1.56 2.43 0.08 6.43 1.47 -1.18 -4.31 116.67 120.04 2kmi s ASP 106 Ca 0.34 -0.38 0.08 0.00 1.18 0.00 0.00 52.55 53.76 2kmi s ASP 106 Cb 0.19 -0.40 -0.03 0.00 -0.34 0.00 0.00 42.92 42.34 2kmi s ASP 106 CO 0.28 0.23 -0.21 0.00 0.68 0.00 0.00 175.17 176.15 2kmi s ARG 107 N -0.34 1.22 0.04 2.11 1.70 -1.21 -3.11 118.95 119.35 2kmi s ARG 107 Ca 0.04 -1.08 0.06 0.00 -0.47 0.00 0.00 55.73 54.28 2kmi s ARG 107 Cb -0.09 -1.43 -0.02 0.00 -0.57 0.00 0.00 34.95 32.83 2kmi s ARG 107 CO 0.00 0.35 -0.16 0.00 -1.08 0.00 0.00 175.30 174.41 2kmi s ALA 108 N -1.02 1.36 0.01 7.88 0.00 -1.14 -3.12 121.76 125.73 2kmi s ALA 108 Ca 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2kmi s ALA 108 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2kmi s ALA 108 CO 0.03 0.28 -0.02 -1.50 0.00 0.00 0.00 175.76 174.55 2kmi s ILE 109 N -0.79 0.11 -0.10 0.00 2.07 -0.85 -2.68 121.20 118.97 2kmi s ILE 109 Ca 0.04 -0.42 -0.01 0.00 -1.41 0.00 0.00 60.65 58.85 2kmi s ILE 109 Cb -0.08 -0.17 0.03 0.00 0.13 0.00 0.00 42.46 42.37 2kmi s ILE 109 CO 0.01 -0.20 -0.04 0.12 -1.91 0.00 0.00 174.94 172.93 2kmi s PHE 110 N -0.63 1.08 -0.07 3.50 5.36 -0.69 -3.14 117.98 123.39 2kmi s PHE 110 Ca -0.06 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 2kmi s PHE 110 Cb -0.04 -1.02 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 2kmi s PHE 110 CO -0.00 -0.43 -0.05 0.00 -1.46 0.00 0.00 175.22 173.27 2kmi s MET 111 N 1.84 1.11 -0.01 10.12 0.23 -1.18 -0.30 119.30 131.11 2kmi s MET 111 Ca 0.05 -0.14 -0.15 0.00 -1.03 0.00 0.00 55.69 54.41 2kmi s MET 111 Cb -0.13 -1.17 0.02 0.00 -1.53 0.00 0.00 34.83 32.02 2kmi s MET 111 CO -0.07 -0.17 0.32 -1.17 -2.03 0.00 0.00 175.02 171.90 2kmi s LEU 112 N 1.36 0.82 0.28 0.18 2.96 -0.54 -3.09 118.68 120.64 2kmi s LEU 112 Ca -0.03 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 2kmi s LEU 112 Cb -0.14 1.31 0.40 0.00 0.50 0.00 0.00 46.19 48.26 2kmi s LEU 112 CO -0.03 -0.47 1.76 0.08 -1.32 0.00 0.00 176.35 176.37 2kmi h ARG 113 N 3.78 0.65 0.00 1.98 0.11 -1.83 -3.33 114.38 115.74 2kmi h ARG 113 Ca -0.30 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2kmi h ARG 113 Cb 1.18 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2kmi h ARG 113 CO 0.41 0.73 -0.03 -0.44 0.10 0.00 0.00 179.97 180.74 2kmi h ASP 114 N 0.60 0.00 0.00 0.08 3.32 -1.92 -3.36 116.42 115.14 2kmi h ASP 114 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2kmi h ASP 114 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2kmi h ASP 114 CO 0.03 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 2kmi n GLY 115 N 1.86 1.23 0.44 2.75 0.00 -1.25 -4.64 105.19 105.58 2kmi n GLY 115 Ca -0.00 -0.88 0.26 0.00 0.00 0.00 0.00 46.02 45.40 2kmi n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kmi h SER 116 N 0.00 0.02 0.58 1.61 0.02 -1.95 -0.27 113.55 113.56 2kmi h SER 116 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2kmi h SER 116 Cb 0.00 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2kmi h SER 116 CO 0.00 0.01 -0.49 0.22 -1.14 0.00 0.00 176.83 175.42 2kmi h TYR 117 N 0.02 -1.36 -0.00 3.45 5.03 -2.01 -2.74 116.97 119.37 2kmi h TYR 117 Ca 0.39 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.59 2kmi h TYR 117 Cb 1.53 0.51 -0.02 0.00 1.55 0.00 0.00 36.73 40.31 2kmi h TYR 117 CO -0.00 -0.68 -0.52 0.00 -1.32 0.00 0.00 178.16 175.64 2kmi h ALA 118 N -1.01 1.13 -0.84 1.82 0.00 -1.75 -2.98 119.26 115.64 2kmi h ALA 118 Ca -0.08 -0.47 0.24 0.00 0.00 0.00 0.00 54.91 54.60 2kmi h ALA 118 Cb 0.89 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 2kmi h ALA 118 CO -0.01 0.65 0.60 2.35 0.00 0.00 0.00 179.25 182.84 2kmi h TRP 119 N 0.01 0.04 0.83 0.00 2.91 -0.78 0.20 115.95 119.15 2kmi h TRP 119 Ca -0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 2kmi h TRP 119 Cb 0.92 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2kmi h TRP 119 CO 0.00 0.01 -0.40 0.93 -1.03 0.00 0.00 178.44 177.95 2kmi h GLU 120 N 0.03 -1.08 -0.31 2.65 5.08 -1.33 -2.54 114.58 117.08 2kmi h GLU 120 Ca 0.40 0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.68 2kmi h GLU 120 Cb 1.58 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 2kmi h GLU 120 CO -0.02 -0.71 -0.43 0.82 -1.00 0.00 0.00 179.01 177.68 2kmi h ILE 121 N -1.15 1.29 -0.80 3.13 5.03 -1.51 -2.96 117.51 120.54 2kmi h ILE 121 Ca -0.11 -1.61 0.23 0.00 -0.12 0.00 0.00 64.86 63.25 2kmi h ILE 121 Cb 0.86 1.50 -0.03 0.00 -3.03 0.00 0.00 36.82 36.12 2kmi h ILE 121 CO 0.19 0.52 0.58 0.50 -0.68 0.00 0.00 178.15 179.26 2kmi h LYS 122 N 0.62 0.00 -0.74 2.37 1.63 -0.61 -0.44 116.57 119.40 2kmi h LYS 122 Ca 0.04 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.98 2kmi h LYS 122 Cb 0.99 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.52 2kmi h LYS 122 CO 0.09 0.00 0.29 0.22 -3.45 0.00 0.00 179.45 176.60 2kmi h ASP 123 N 0.00 0.26 -0.34 4.20 3.58 -1.27 0.12 116.42 122.97 2kmi h ASP 123 Ca 0.38 0.11 -0.17 0.00 0.42 0.00 0.00 57.03 57.77 2kmi h ASP 123 Cb 1.53 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.66 2kmi h ASP 123 CO -0.00 0.10 -0.43 -0.26 -2.88 0.00 0.00 179.24 175.77 2kmi h PHE 124 N 0.43 1.10 0.93 0.28 0.04 -1.27 -2.85 116.94 115.61 2kmi h PHE 124 Ca 0.41 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 2kmi h PHE 124 Cb 0.61 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.54 2kmi h PHE 124 CO -0.17 1.17 -0.45 1.25 -0.60 0.00 0.00 178.31 179.51 2kmi h LEU 125 N 0.73 -1.06 -1.99 1.54 5.85 -1.11 -2.62 115.31 116.64 2kmi h LEU 125 Ca 0.05 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.04 2kmi h LEU 125 Cb 1.02 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2kmi h LEU 125 CO 0.10 -0.73 0.60 1.62 -0.34 0.00 0.00 178.44 179.69 2kmi h VAL 126 N -1.30 0.57 -0.85 1.05 3.04 -0.91 0.99 116.25 118.84 2kmi h VAL 126 Ca -0.13 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.80 2kmi h VAL 126 Cb 0.96 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.78 2kmi h VAL 126 CO 0.21 0.00 0.60 -1.28 -1.01 0.00 0.00 177.57 176.09 2kmi h SER 127 N 0.00 0.05 -0.46 3.17 0.87 -1.21 0.18 113.55 116.15 2kmi h SER 127 Ca 0.39 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.82 2kmi h SER 127 Cb 1.59 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 2kmi h SER 127 CO -0.00 0.02 -0.23 -0.61 -0.53 0.00 0.00 176.83 175.47 2kmi h GLN 128 N 0.05 0.98 -0.52 2.24 5.75 -0.88 -3.46 115.11 119.26 2kmi h GLN 128 Ca 0.41 -0.42 -0.22 0.00 -0.15 0.00 0.00 58.65 58.26 2kmi h GLN 128 Cb 1.55 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.99 2kmi h GLN 128 CO -0.03 1.09 -0.20 -3.47 -2.65 0.00 0.00 178.83 173.58 2kmi n ASP 129 N -4.10 -5.22 -2.73 -0.69 -0.08 0.63 -4.82 116.55 99.53 2kmi n ASP 129 Ca -0.00 0.27 -0.08 0.00 -1.51 0.00 0.00 54.79 53.47 2kmi n ASP 129 Cb 0.47 -3.68 0.07 0.00 2.34 0.00 0.00 41.12 40.32 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 -1.47 0.78 -3.75 -0.67 3.00 0.04 -4.34 116.66 110.26 2kmi n ARG 130 Ca -0.11 -1.67 -0.13 0.00 -0.01 0.00 0.00 57.85 55.92 2kmi n ARG 130 Cb 0.51 -1.20 -0.09 0.00 0.00 0.00 0.00 32.46 31.67 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kmi s ALA 132 N -0.56 1.15 -0.07 0.00 0.00 -1.26 -0.79 121.76 120.22 2kmi s ALA 132 Ca -0.07 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2kmi s ALA 132 Cb -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.38 2kmi s ALA 132 CO 0.03 -0.23 0.34 -1.21 0.00 0.00 0.00 175.76 174.69 2kmi s GLU 133 N 1.35 0.56 -0.01 0.00 2.02 0.99 -3.62 118.70 120.00 2kmi s GLU 133 Ca -0.02 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.11 2kmi s GLU 133 Cb -0.14 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.36 2kmi s GLU 133 CO -0.04 -0.13 -0.04 0.54 0.02 0.00 0.00 175.26 175.62 2kmi s VAL 134 N -0.63 0.33 -0.12 2.63 0.11 -1.22 -0.87 120.40 120.63 2kmi s VAL 134 Ca -0.07 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2kmi s VAL 134 Cb -0.04 -0.31 0.03 0.00 -1.53 0.00 0.00 36.38 34.53 2kmi s VAL 134 CO 0.03 0.11 -0.07 0.42 -3.33 0.00 0.00 175.10 172.26 2kmi s THR 135 N 0.13 1.00 -0.10 5.04 -4.23 -0.32 -4.50 115.64 112.65 2kmi s THR 135 Ca -0.01 -0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.17 2kmi s THR 135 Cb -0.04 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.81 2kmi s THR 135 CO -0.00 0.34 0.19 -1.48 -0.54 0.00 0.00 174.62 173.12 2kmi s LEU 136 N 1.72 -0.14 0.25 4.79 0.05 -1.26 -3.23 118.68 120.85 2kmi s LEU 136 Ca 0.05 0.40 0.07 0.00 0.05 0.00 0.00 54.13 54.70 2kmi s LEU 136 Cb -0.13 0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 44.37 2kmi s LEU 136 CO -0.08 -0.24 0.23 -0.70 -0.55 0.00 0.00 176.35 175.00 2kmi s GLU 137 N 2.33 3.02 -0.36 1.48 2.56 -1.26 -4.99 118.70 121.48 2kmi s GLU 137 Ca 0.03 -1.01 0.13 0.00 0.00 0.00 0.00 54.97 54.13 2kmi s GLU 137 Cb -0.12 -2.62 0.42 0.00 2.00 0.00 0.00 34.13 33.81 2kmi s GLU 137 CO -0.07 0.40 1.15 0.41 -0.56 0.00 0.00 175.26 176.59 2kmi n GLY 138 N -1.23 1.44 3.50 -1.50 0.00 -1.26 -3.93 105.19 102.21 2kmi n GLY 138 Ca -0.08 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.47 3.29 -1.54 1.61 2.00 -1.26 -4.29 119.66 117.99 2kmi s GLN 139 Ca 0.25 -0.79 0.00 0.00 -2.00 0.00 0.00 55.36 52.81 2kmi s GLN 139 Cb 0.43 -3.88 0.00 0.00 0.80 0.00 0.00 33.01 30.36 2kmi s GLN 139 CO -0.03 -0.56 0.00 -1.33 -0.50 0.00 0.00 175.29 172.87 2kmi n MET 140 N 5.13 -1.27 -3.12 1.67 2.81 -1.26 -3.37 117.12 117.70 2kmi n MET 140 Ca -0.12 0.90 -0.03 0.00 -1.81 0.00 0.00 57.70 56.64 2kmi n MET 140 Cb 0.49 -5.25 0.01 0.00 -0.71 0.00 0.00 33.22 27.75 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 -3.52 -2.89 -1.80 2.03 4.01 -1.26 -4.81 117.16 108.91 2kmi n TYR 141 Ca -0.19 1.10 -0.32 0.00 -0.16 0.00 0.00 57.90 58.32 2kmi n TYR 141 Cb 0.62 -4.04 -0.06 0.00 -0.31 0.00 0.00 39.34 35.54 2kmi n TYR 141 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kmi n PRO 142 N -1.95 1.56 0.00 -0.72 -0.04 -1.05 -4.26 135.00 128.54 2kmi n PRO 142 Ca -0.02 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 2kmi n PRO 142 Cb 0.52 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 5.44 -3.06 0.00 0.55 0.00 -1.26 -1.79 105.19 105.06 2kmi n GLY 143 Ca 0.46 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2kmi n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 144 N -0.59 0.00 0.00 1.61 4.01 -1.26 -4.05 118.16 117.88 2kmi n LYS 144 Ca 0.00 0.77 0.00 0.00 -0.51 0.00 0.00 58.31 58.57 2kmi n LYS 144 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70