#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 0.07 5.56 -0.00 -1.26 -4.96 118.16 117.57 2kmi n LYS 2 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2kmi n LYS 2 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 34.90 2kmi n LYS 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kmi h LYS 3 N 0.00 0.08 -2.13 -1.58 3.64 -2.05 -3.38 116.57 111.15 2kmi h LYS 3 Ca 0.00 -0.13 -0.57 0.00 -1.27 0.00 0.00 60.65 58.68 2kmi h LYS 3 Cb 0.00 0.05 -0.41 0.00 -0.41 0.00 0.00 32.23 31.46 2kmi h LYS 3 CO 0.00 1.06 -0.82 1.63 -2.27 0.00 0.00 179.45 179.05 2kmi n LYS 4 N -3.40 1.95 -2.72 1.90 5.02 -1.26 -4.57 118.16 115.07 2kmi n LYS 4 Ca -0.03 -4.14 -0.41 0.00 -2.02 0.00 0.00 58.31 51.72 2kmi n LYS 4 Cb 0.96 -1.89 0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2kmi n LYS 4 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2kmi n ASP 5 N 0.76 7.08 -3.51 4.39 5.68 -1.26 -4.96 116.55 124.72 2kmi n ASP 5 Ca 0.27 -3.64 -0.30 0.00 -0.50 0.00 0.00 54.79 50.62 2kmi n ASP 5 Cb 0.47 -1.17 0.29 0.00 -1.14 0.00 0.00 41.12 39.58 2kmi n ASP 5 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2kmi n ILE 6 N 0.20 0.00 -1.39 2.12 -5.35 -1.26 -4.83 119.36 108.84 2kmi n ILE 6 Ca 0.42 -0.12 -0.25 0.00 -0.27 0.00 0.00 62.75 62.53 2kmi n ILE 6 Cb 0.28 -1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.10 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 -5.69 2.73 -2.21 6.28 0.63 -1.26 -4.66 116.66 112.48 2kmi n ARG 7 Ca 0.11 -2.06 -0.15 0.00 -0.92 0.00 0.00 57.85 54.83 2kmi n ARG 7 Cb 0.59 -2.23 -0.02 0.00 0.45 0.00 0.00 32.46 31.25 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2kmi n ASP 8 N 1.79 -4.32 -2.66 6.15 8.00 -1.26 -3.73 116.55 120.51 2kmi n ASP 8 Ca 0.52 0.19 -0.04 0.00 0.71 0.00 0.00 54.79 56.16 2kmi n ASP 8 Cb 0.59 -3.71 -0.04 0.00 -0.02 0.00 0.00 41.12 37.94 2kmi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi n TYR 9 N -3.21 -4.13 0.00 1.24 9.36 -1.26 -4.98 117.16 114.17 2kmi n TYR 9 Ca -0.17 2.29 0.00 0.00 3.32 0.00 0.00 57.90 63.34 2kmi n TYR 9 Cb 0.60 -3.77 0.00 0.00 -0.63 0.00 0.00 39.34 35.54 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kmi n ASN 10 N 1.55 0.00 -2.89 2.98 3.02 -1.24 -5.02 115.26 113.65 2kmi n ASN 10 Ca -0.31 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.11 2kmi n ASN 10 Cb 0.49 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kmi n ASP 11 N -1.06 -0.44 0.18 6.41 5.75 -1.26 -4.94 116.55 121.18 2kmi n ASP 11 Ca 0.00 -3.11 0.03 0.00 -0.01 0.00 0.00 54.79 51.70 2kmi n ASP 11 Cb 0.00 0.42 0.31 0.00 -1.03 0.00 0.00 41.12 40.83 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmi h ALA 12 N 2.87 1.14 -0.91 2.12 0.00 -1.96 -3.00 119.26 119.51 2kmi h ALA 12 Ca -0.05 -0.40 0.21 0.00 0.00 0.00 0.00 54.91 54.68 2kmi h ALA 12 Cb 1.09 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2kmi h ALA 12 CO 0.31 0.55 0.61 0.38 0.00 0.00 0.00 179.25 181.09 2kmi h ASP 13 N 0.00 0.36 -0.98 0.00 2.03 -1.92 0.81 116.42 116.73 2kmi h ASP 13 Ca -0.00 0.04 0.09 0.00 -0.73 0.00 0.00 57.03 56.43 2kmi h ASP 13 Cb 0.85 -0.03 -0.07 0.00 -0.83 0.00 0.00 39.33 39.24 2kmi h ASP 13 CO 0.06 0.14 0.62 0.24 -1.03 0.00 0.00 179.24 179.26 2kmi h MET 14 N 0.36 1.02 -0.73 4.15 2.86 -1.79 -0.40 114.93 120.40 2kmi h MET 14 Ca 0.47 -0.06 0.20 0.00 -2.06 0.00 0.00 59.70 58.25 2kmi h MET 14 Cb 1.25 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2kmi h MET 14 CO -0.17 0.68 0.52 0.00 1.06 0.00 0.00 176.91 179.00 2kmi h ALA 15 N 1.49 2.61 -0.76 6.32 0.00 -1.02 0.61 119.26 128.51 2kmi h ALA 15 Ca 0.45 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.50 2kmi h ALA 15 Cb 0.32 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2kmi h ALA 15 CO -0.22 -0.82 0.51 -0.09 0.00 0.00 0.00 179.25 178.63 2kmi h ARG 16 N 0.06 0.35 -0.04 0.00 1.12 -1.16 0.24 114.38 114.95 2kmi h ARG 16 Ca 0.35 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.21 2kmi h ARG 16 Cb 1.32 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 31.20 2kmi h ARG 16 CO -0.02 0.23 0.10 1.37 -3.11 0.00 0.00 179.97 178.54 2kmi h LEU 17 N 0.36 0.00 -1.44 3.80 8.10 -1.01 -1.80 115.31 123.32 2kmi h LEU 17 Ca 0.37 0.00 0.20 0.00 0.11 0.00 0.00 57.88 58.57 2kmi h LEU 17 Cb 0.94 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 41.08 2kmi h LEU 17 CO -0.11 0.00 0.60 0.25 -4.11 0.00 0.00 178.44 175.07 2kmi h LEU 18 N 0.00 0.46 -1.97 0.17 5.85 -0.67 0.18 115.31 119.33 2kmi h LEU 18 Ca 0.02 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.03 2kmi h LEU 18 Cb 0.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2kmi h LEU 18 CO -0.00 0.18 0.61 -0.08 -0.34 0.00 0.00 178.44 178.81 2kmi h GLU 19 N 0.46 0.02 -0.47 1.25 4.81 -1.51 0.21 114.58 119.36 2kmi h GLU 19 Ca 0.49 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.85 2kmi h GLU 19 Cb 1.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 2kmi h GLU 19 CO -0.21 0.02 0.41 0.37 -0.73 0.00 0.00 179.01 178.86 2kmi h GLN 20 N 0.02 0.00 -0.46 1.92 -0.00 -0.75 0.50 115.11 116.34 2kmi h GLN 20 Ca 0.41 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.92 2kmi h GLN 20 Cb 1.59 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.06 2kmi h GLN 20 CO -0.02 0.00 -0.26 2.35 0.00 0.00 0.00 178.83 180.91 2kmi h TRP 21 N 0.00 1.15 0.20 3.99 7.01 -0.74 -3.28 115.95 124.28 2kmi h TRP 21 Ca 0.22 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.93 2kmi h TRP 21 Cb 1.03 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.80 2kmi h TRP 21 CO 0.00 1.13 -0.38 0.93 -2.79 0.00 0.00 178.44 177.33 2kmi h GLU 22 N 0.84 -0.60 -2.36 2.65 4.39 -1.02 -3.45 114.58 115.03 2kmi h GLU 22 Ca 0.10 0.04 -0.34 0.00 0.34 0.00 0.00 59.36 59.50 2kmi h GLU 22 Cb 0.85 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 29.56 2kmi h GLU 22 CO 0.07 -0.40 -0.37 1.17 -1.16 0.00 0.00 179.01 178.32 2kmi n LYS 23 N -4.66 -1.67 0.24 2.33 4.81 -1.22 -4.78 118.16 113.21 2kmi n LYS 23 Ca -0.07 0.90 0.11 0.00 -0.87 0.00 0.00 58.31 58.37 2kmi n LYS 23 Cb 0.32 -5.38 0.57 0.00 0.02 0.00 0.00 35.03 30.56 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 -5.94 3.14 3.32 -1.85 -3.47 116.42 111.61 2kmi h ASP 24 Ca -0.37 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.28 2kmi h ASP 24 Cb 1.20 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.84 2kmi h ASP 24 CO 0.49 0.19 -0.76 0.47 -1.72 0.00 0.00 179.24 177.90 2kmi n ASP 25 N -3.50 -3.33 0.14 6.45 8.00 -1.24 -4.89 116.55 118.17 2kmi n ASP 25 Ca -0.01 -0.69 0.02 0.00 0.71 0.00 0.00 54.79 54.82 2kmi n ASP 25 Cb 0.35 -4.57 0.08 0.00 -0.02 0.00 0.00 41.12 36.96 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2kmi h ASP 26 N -2.12 0.00 -4.56 -2.24 3.32 -1.74 -3.45 116.42 105.63 2kmi h ASP 26 Ca -0.59 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.20 2kmi h ASP 26 Cb 1.36 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.68 2kmi h ASP 26 CO 0.56 0.55 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.28 2kmi s ILE 27 N -3.08 0.39 0.00 0.35 -1.09 -1.26 -5.04 121.20 111.46 2kmi s ILE 27 Ca 0.02 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 2kmi s ILE 27 Cb 0.09 -0.44 0.00 0.00 -1.58 0.00 0.00 42.46 40.52 2kmi s ILE 27 CO 0.74 -0.28 0.00 1.21 -1.23 0.00 0.00 174.94 175.39 2kmi n GLU 28 N 1.91 0.77 -3.36 2.79 2.13 -1.26 -4.93 120.64 118.69 2kmi n GLU 28 Ca -0.20 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.28 2kmi n GLU 28 Cb 0.56 -0.87 -0.06 0.00 0.27 0.00 0.00 31.44 31.34 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kmi s GLU 29 N -1.74 3.92 0.00 5.31 2.12 -1.26 -4.94 118.70 122.11 2kmi s GLU 29 Ca 0.00 0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.76 2kmi s GLU 29 Cb 0.00 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.58 2kmi s GLU 29 CO 0.00 0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 2kmi n GLY 30 N 0.43 0.00 3.87 -1.50 0.00 -1.26 -4.22 105.19 102.52 2kmi n GLY 30 Ca -0.03 0.00 -0.28 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 0.00 6.00 0.17 1.61 1.01 -1.26 -2.02 116.67 122.18 2kmi s ASP 31 Ca 0.00 0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.41 2kmi s ASP 31 Cb 0.00 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 2kmi s ASP 31 CO 0.00 0.11 -0.10 -0.76 0.21 0.00 0.00 175.17 174.63 2kmi s LEU 32 N -2.84 2.51 -0.38 1.23 1.02 -1.23 -4.87 118.68 114.11 2kmi s LEU 32 Ca 0.33 -1.04 -0.28 0.00 0.02 0.00 0.00 54.13 53.16 2kmi s LEU 32 Cb -0.12 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.64 2kmi s LEU 32 CO 0.26 -0.30 1.72 -2.16 0.02 0.00 0.00 176.35 175.89 2kmi s PRO 33 N -3.73 3.30 -0.04 1.29 0.04 -1.26 -4.97 135.00 129.63 2kmi s PRO 33 Ca 0.20 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2kmi s PRO 33 Cb 0.02 -4.18 0.03 0.00 0.04 0.00 0.00 34.50 30.41 2kmi s PRO 33 CO 0.03 -1.90 0.09 -2.00 0.04 0.00 0.00 177.00 173.26 2kmi s GLU 34 N 5.67 0.02 0.00 4.56 2.56 -1.26 -5.03 118.70 125.22 2kmi s GLU 34 Ca 0.74 0.30 0.00 0.00 0.00 0.00 0.00 54.97 56.01 2kmi s GLU 34 Cb -0.19 -0.23 0.00 0.00 2.00 0.00 0.00 34.13 35.71 2kmi s GLU 34 CO 0.32 -0.18 0.00 -2.39 -0.56 0.00 0.00 175.26 172.45 2kmi n HIS 35 N 4.29 0.00 -3.61 5.30 1.44 -1.26 -5.07 115.22 116.30 2kmi n HIS 35 Ca -0.26 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.31 2kmi n HIS 35 Cb 0.51 0.28 -0.06 0.00 0.12 0.00 0.00 29.99 30.84 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 -1.98 0.96 0.29 -1.40 0.00 -1.26 -4.96 119.74 111.39 2kmi s LYS 36 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 55.97 55.88 2kmi s LYS 36 Cb 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 37.83 38.22 2kmi s LYS 36 CO 0.00 -0.33 -0.16 1.03 0.00 0.00 0.00 175.35 175.89 2kmi s ARG 37 N -2.17 1.78 0.02 1.78 0.52 -1.26 -5.09 118.95 114.53 2kmi s ARG 37 Ca -0.07 -1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 53.09 2kmi s ARG 37 Cb -0.01 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.58 2kmi s ARG 37 CO 0.00 0.31 1.43 -1.25 0.02 0.00 0.00 175.30 175.81 2kmi s PRO 38 N -3.55 4.28 -0.45 3.54 0.04 -1.26 -4.90 135.00 132.70 2kmi s PRO 38 Ca 0.31 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.15 2kmi s PRO 38 Cb -0.04 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 30.97 2kmi s PRO 38 CO 0.16 -0.58 0.72 -1.54 0.04 0.00 0.00 177.00 175.80 2kmi s SER 39 N 1.88 6.37 -0.26 6.66 1.04 -1.26 -4.08 113.70 124.06 2kmi s SER 39 Ca 0.65 -0.22 -0.38 0.00 0.48 0.00 0.00 55.95 56.48 2kmi s SER 39 Cb -0.33 -2.35 0.15 0.00 0.10 0.00 0.00 66.02 63.59 2kmi s SER 39 CO 0.28 -0.86 1.34 0.00 0.98 0.00 0.00 173.24 174.98 2kmi s ALA 40 N 3.07 -2.18 -0.12 5.32 0.00 -1.23 -4.98 121.76 121.64 2kmi s ALA 40 Ca 0.26 1.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.73 2kmi s ALA 40 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2kmi s ALA 40 CO 0.21 -0.57 1.54 -1.25 0.00 0.00 0.00 175.76 175.68 2kmi s PRO 41 N -2.14 4.12 -0.11 0.00 0.04 -1.26 -4.63 135.00 131.01 2kmi s PRO 41 Ca 0.11 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2kmi s PRO 41 Cb -0.01 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2kmi s PRO 41 CO -0.03 -0.89 -0.23 -1.50 0.04 0.00 0.00 177.00 174.38 2kmi s ILE 42 N 4.11 2.05 -0.34 0.56 1.10 -1.26 -4.93 121.20 122.49 2kmi s ILE 42 Ca 0.68 -1.00 0.15 0.00 -0.51 0.00 0.00 60.65 59.97 2kmi s ILE 42 Cb -0.28 -1.79 0.45 0.00 0.15 0.00 0.00 42.46 40.99 2kmi s ILE 42 CO 0.25 0.55 1.01 0.47 -2.11 0.00 0.00 174.94 175.12 2kmi n ASP 43 N 3.73 2.37 0.00 4.50 8.00 -1.26 -3.37 116.55 130.53 2kmi n ASP 43 Ca -0.19 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.37 2kmi n ASP 43 Cb 0.52 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2kmi n ASP 43 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2kmi n PHE 44 N -0.23 0.00 -1.47 1.24 7.35 -1.06 -3.22 117.46 120.08 2kmi n PHE 44 Ca 0.17 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.93 2kmi n PHE 44 Cb 0.78 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.81 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 2.39 1.88 -2.42 -2.13 2.88 -1.26 -5.04 113.62 109.91 2kmi n SER 45 Ca 0.00 -3.70 -0.04 0.00 -1.33 0.00 0.00 58.87 53.80 2kmi n SER 45 Cb 0.00 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 62.92 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 -1.20 -4.28 -4.44 -1.46 5.02 -1.20 -5.07 118.16 105.53 2kmi n LYS 46 Ca 0.18 3.24 -0.21 0.00 -2.02 0.00 0.00 58.31 59.50 2kmi n LYS 46 Cb 0.68 -4.60 -0.10 0.00 -0.02 0.00 0.00 35.03 30.98 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kmi s LEU 47 N -0.58 2.45 0.57 -0.35 1.43 -1.26 -4.95 118.68 115.98 2kmi s LEU 47 Ca -0.21 -1.23 -0.08 0.00 -1.03 0.00 0.00 54.13 51.58 2kmi s LEU 47 Cb 0.01 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 2kmi s LEU 47 CO 0.57 -0.39 0.93 -1.81 0.23 0.00 0.00 176.35 175.87 2kmi s ASP 48 N -3.46 6.16 0.06 2.29 1.01 -1.26 -4.88 116.67 116.58 2kmi s ASP 48 Ca 0.31 1.16 -0.31 0.00 0.71 0.00 0.00 52.55 54.42 2kmi s ASP 48 Cb 0.05 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.61 2kmi s ASP 48 CO 0.13 -0.79 1.40 -2.16 0.21 0.00 0.00 175.17 173.96 2kmi s PRO 49 N -5.00 4.30 -0.12 8.23 0.04 -1.26 -4.94 135.00 136.25 2kmi s PRO 49 Ca 0.52 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.46 2kmi s PRO 49 Cb -0.11 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 2kmi s PRO 49 CO 0.50 -0.51 -0.26 0.41 0.04 0.00 0.00 177.00 177.18 2kmi n GLY 50 N 3.58 -0.40 3.76 0.56 0.00 -1.26 -5.03 105.19 106.41 2kmi n GLY 50 Ca 0.12 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.64 2.14 0.61 1.61 1.02 -1.26 -5.01 119.74 116.22 2kmi s LYS 51 Ca -0.22 1.12 -0.17 0.00 0.02 0.00 0.00 55.97 56.72 2kmi s LYS 51 Cb 0.04 -1.89 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2kmi s LYS 51 CO 0.32 -1.71 1.12 -1.25 -0.92 0.00 0.00 175.35 172.91 2kmi s PRO 52 N -4.91 3.04 0.31 -1.68 0.04 -1.26 -4.95 135.00 125.58 2kmi s PRO 52 Ca 0.61 1.48 0.15 0.00 0.04 0.00 0.00 61.00 63.28 2kmi s PRO 52 Cb -0.17 -1.97 0.44 0.00 0.04 0.00 0.00 34.50 32.83 2kmi s PRO 52 CO 0.56 -1.07 1.63 1.49 0.04 0.00 0.00 177.00 179.64 2kmi h GLU 53 N 0.53 0.00 0.19 4.56 4.81 -2.00 -3.28 114.58 119.39 2kmi h GLU 53 Ca -0.48 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2kmi h GLU 53 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2kmi h GLU 53 CO 0.55 0.52 -0.34 1.03 -0.73 0.00 0.00 179.01 180.05 2kmi h SER 54 N 0.00 -0.96 -0.92 1.04 0.87 -2.00 -1.76 113.55 109.82 2kmi h SER 54 Ca -0.01 0.10 0.12 0.00 -1.23 0.00 0.00 61.79 60.78 2kmi h SER 54 Cb 1.09 0.35 -0.07 0.00 -0.44 0.00 0.00 62.40 63.33 2kmi h SER 54 CO 0.07 -0.44 0.59 0.40 -0.53 0.00 0.00 176.83 176.91 2kmi h ILE 55 N -0.61 0.90 0.00 2.23 2.04 -1.97 0.11 117.51 120.21 2kmi h ILE 55 Ca 0.01 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2kmi h ILE 55 Cb 0.61 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2kmi h ILE 55 CO -0.15 0.15 -0.14 0.25 0.00 0.00 0.00 178.15 178.26 2kmi h LEU 56 N 0.83 0.00 -1.17 1.44 7.12 -1.42 -1.95 115.31 120.16 2kmi h LEU 56 Ca 0.45 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.38 2kmi h LEU 56 Cb 0.55 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 2kmi h LEU 56 CO -0.21 0.14 -0.21 0.50 -0.13 0.00 0.00 178.44 178.53 2kmi h LYS 57 N 0.00 0.32 -0.14 1.25 3.64 0.04 -3.03 116.57 118.66 2kmi h LYS 57 Ca -0.00 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2kmi h LYS 57 Cb 0.27 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2kmi h LYS 57 CO 0.02 0.53 -0.02 1.98 -2.27 0.00 0.00 179.45 179.68 2kmi h MET 58 N 0.29 0.02 -3.94 1.90 4.05 -1.30 -3.42 114.93 112.53 2kmi h MET 58 Ca 0.05 -0.00 -0.39 0.00 -0.28 0.00 0.00 59.70 59.08 2kmi h MET 58 Cb 0.54 -0.00 -0.34 0.00 -0.80 0.00 0.00 31.60 31.00 2kmi h MET 58 CO 0.04 0.01 -0.77 0.95 0.23 0.00 0.00 176.91 177.37 2kmi s THR 59 N -6.20 0.43 -0.17 -0.77 -4.23 -1.14 -5.14 115.64 98.43 2kmi s THR 59 Ca -0.13 -0.06 -0.28 0.00 -1.18 0.00 0.00 61.69 60.03 2kmi s THR 59 Cb 0.09 -0.48 0.08 0.00 1.34 0.00 0.00 72.50 73.53 2kmi s THR 59 CO 0.68 0.20 0.77 -1.59 -0.54 0.00 0.00 174.62 174.13 2kmi s LYS 60 N 0.94 0.87 0.00 3.99 -2.85 -1.25 -4.72 119.74 116.72 2kmi s LYS 60 Ca -0.11 0.55 0.00 0.00 -1.00 0.00 0.00 55.97 55.41 2kmi s LYS 60 Cb -0.14 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2kmi s LYS 60 CO -0.00 -0.20 0.00 0.36 0.10 0.00 0.00 175.35 175.60 2kmi n LYS 61 N 1.67 0.00 -2.37 1.78 2.85 -1.26 -5.14 118.16 115.69 2kmi n LYS 61 Ca -0.16 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.07 2kmi n LYS 61 Cb 0.56 -0.03 -0.03 0.00 -0.65 0.00 0.00 35.03 34.88 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kmi n GLY 62 N -1.23 -5.20 3.26 2.58 0.00 -1.26 -4.54 105.19 98.80 2kmi n GLY 62 Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.98 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 -0.74 0.95 -0.05 1.61 1.02 -1.26 -3.99 119.74 117.28 2kmi s LYS 63 Ca -0.17 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 54.96 2kmi s LYS 63 Cb 0.01 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.69 2kmi s LYS 63 CO 0.47 -0.34 0.05 -0.08 -0.92 0.00 0.00 175.35 174.53 2kmi s THR 64 N -3.83 4.61 -0.18 2.17 -1.32 -1.26 -2.67 115.64 113.16 2kmi s THR 64 Ca 0.04 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 2kmi s THR 64 Cb 0.03 -3.03 0.01 0.00 -1.51 0.00 0.00 72.50 68.00 2kmi s THR 64 CO -0.12 0.48 -0.16 -1.48 -2.21 0.00 0.00 174.62 171.14 2kmi s LEU 65 N -1.31 2.33 -0.30 9.08 2.34 -1.26 -4.50 118.68 125.06 2kmi s LEU 65 Ca 0.18 -0.57 -0.05 0.00 0.06 0.00 0.00 54.13 53.75 2kmi s LEU 65 Cb -0.12 -1.54 0.16 0.00 -0.56 0.00 0.00 46.19 44.13 2kmi s LEU 65 CO 0.08 0.01 0.61 -0.32 -1.06 0.00 0.00 176.35 175.68 2kmi s MET 66 N 1.23 0.57 -0.22 1.48 1.75 -1.19 -3.65 119.30 119.27 2kmi s MET 66 Ca 0.03 1.20 -0.13 0.00 -1.25 0.00 0.00 55.69 55.55 2kmi s MET 66 Cb -0.14 0.68 0.07 0.00 2.84 0.00 0.00 34.83 38.28 2kmi s MET 66 CO -0.08 -0.42 0.53 -1.64 -0.65 0.00 0.00 175.02 172.75 2kmi s MET 67 N 2.87 0.54 -0.11 4.11 -1.94 -1.17 -0.68 119.30 122.91 2kmi s MET 67 Ca 0.08 0.97 -0.00 0.00 -1.71 0.00 0.00 55.69 55.02 2kmi s MET 67 Cb -0.14 0.06 0.03 0.00 2.01 0.00 0.00 34.83 36.79 2kmi s MET 67 CO -0.20 -0.15 -0.07 -0.06 -0.01 0.00 0.00 175.02 174.53 2kmi s PHE 68 N 1.43 1.44 0.01 -0.03 0.08 -0.41 -3.12 117.98 117.38 2kmi s PHE 68 Ca -0.09 -0.71 -0.04 0.00 0.12 0.00 0.00 56.93 56.21 2kmi s PHE 68 Cb -0.07 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2kmi s PHE 68 CO -0.15 -0.51 0.05 0.08 -0.10 0.00 0.00 175.22 174.60 2kmi s VAL 69 N 1.72 0.10 -0.41 -0.44 1.01 -1.09 -0.05 120.40 121.25 2kmi s VAL 69 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2kmi s VAL 69 Cb -0.13 -0.41 0.20 0.00 0.00 0.00 0.00 36.38 36.04 2kmi s VAL 69 CO -0.08 -0.47 0.88 0.28 0.00 0.00 0.00 175.10 175.72 2kmi s THR 70 N -1.57 -0.61 -0.07 3.92 -1.32 -1.12 -1.95 115.64 112.92 2kmi s THR 70 Ca -0.14 -0.41 -0.31 0.00 -1.21 0.00 0.00 61.69 59.62 2kmi s THR 70 Cb -0.08 0.00 0.12 0.00 -1.51 0.00 0.00 72.50 71.03 2kmi s THR 70 CO -0.00 0.00 1.08 0.54 -2.21 0.00 0.00 174.62 174.03 2kmi s VAL 71 N 1.25 0.00 -0.25 5.08 0.11 -1.18 -1.44 120.40 123.96 2kmi s VAL 71 Ca 0.23 -0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 2kmi s VAL 71 Cb 0.04 -1.23 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2kmi s VAL 71 CO -0.09 0.00 0.69 -0.94 -3.33 0.00 0.00 175.10 171.43 2kmi s SER 72 N -2.46 6.65 0.00 3.54 1.04 -1.26 -3.26 113.70 117.95 2kmi s SER 72 Ca 0.09 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2kmi s SER 72 Cb -0.00 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2kmi s SER 72 CO -0.05 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2kmi n GLY 73 N 4.05 0.90 2.69 7.32 0.00 -1.26 -3.06 105.19 115.82 2kmi n GLY 73 Ca 0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.78 -4.56 1.61 4.13 -1.24 -4.35 115.26 109.08 2kmi n ASN 74 Ca 0.00 -1.82 -0.39 0.00 1.68 0.00 0.00 54.58 54.05 2kmi n ASN 74 Cb 0.00 0.97 -0.03 0.00 -1.54 0.00 0.00 39.78 39.18 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2kmi s PRO 75 N 0.55 2.74 -0.35 3.52 0.04 -1.26 -3.92 135.00 136.32 2kmi s PRO 75 Ca 0.26 0.71 0.14 0.00 0.04 0.00 0.00 61.00 62.15 2kmi s PRO 75 Cb 0.16 -4.35 0.42 0.00 0.04 0.00 0.00 34.50 30.77 2kmi s PRO 75 CO -0.11 -2.60 1.34 0.25 0.04 0.00 0.00 177.00 175.93 2kmi n THR 76 N 7.23 0.31 -0.17 1.26 -2.24 -1.26 -4.95 114.28 114.46 2kmi n THR 76 Ca 0.20 -1.71 0.27 0.00 -2.27 0.00 0.00 64.05 60.54 2kmi n THR 76 Cb 0.51 1.00 0.70 0.00 -2.10 0.00 0.00 70.33 70.45 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 1.83 0.04 -0.35 -0.78 -0.00 -1.85 0.21 114.58 113.68 2kmi h GLU 77 Ca -0.30 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 58.89 2kmi h GLU 77 Cb 1.28 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 2kmi h GLU 77 CO -0.01 0.03 -0.44 -0.22 -0.00 0.00 0.00 179.01 178.37 2kmi h LYS 78 N 0.04 0.90 -0.15 1.06 1.63 -1.99 -2.97 116.57 115.09 2kmi h LYS 78 Ca 0.41 -0.50 -0.12 0.00 -0.85 0.00 0.00 60.65 59.59 2kmi h LYS 78 Cb 1.59 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.24 2kmi h LYS 78 CO -0.02 1.15 -0.44 1.49 -3.45 0.00 0.00 179.45 178.17 2kmi h GLU 79 N 0.72 0.36 -0.38 1.90 4.57 -1.03 -3.12 114.58 117.61 2kmi h GLU 79 Ca 0.05 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2kmi h GLU 79 Cb 1.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2kmi h GLU 79 CO 0.10 0.74 0.22 1.79 -1.18 0.00 0.00 179.01 180.68 2kmi h THR 80 N 0.30 1.14 -0.53 0.32 1.35 -1.20 -2.83 112.91 111.45 2kmi h THR 80 Ca 0.02 -0.34 0.04 0.00 -0.55 0.00 0.00 66.41 65.59 2kmi h THR 80 Cb 0.90 0.68 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 2kmi h THR 80 CO 0.07 0.14 0.28 -0.08 -0.25 0.00 0.00 175.52 175.69 2kmi h GLU 81 N 0.49 0.53 -0.51 4.72 4.22 -1.47 -0.84 114.58 121.72 2kmi h GLU 81 Ca 0.13 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.69 2kmi h GLU 81 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2kmi h GLU 81 CO -0.02 0.35 0.45 1.49 -2.18 0.00 0.00 179.01 179.10 2kmi h GLU 82 N 0.55 0.00 -0.89 1.92 4.57 -1.45 0.06 114.58 119.34 2kmi h GLU 82 Ca 0.23 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.45 2kmi h GLU 82 Cb 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 2kmi h GLU 82 CO -0.15 0.00 0.57 0.82 -1.18 0.00 0.00 179.01 179.07 2kmi h ILE 83 N 0.00 1.13 -0.99 2.32 2.04 -1.06 -1.61 117.51 119.35 2kmi h ILE 83 Ca 0.24 -0.38 0.27 0.00 1.00 0.00 0.00 64.86 65.99 2kmi h ILE 83 Cb 1.14 -0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2kmi h ILE 83 CO -0.00 0.20 0.68 0.00 0.00 0.00 0.00 178.15 179.03 2kmi h THR 84 N 1.10 0.54 0.40 -0.27 1.03 -1.07 -1.01 112.91 113.64 2kmi h THR 84 Ca 0.36 -0.06 -0.02 0.00 -0.01 0.00 0.00 66.41 66.68 2kmi h THR 84 Cb 0.03 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 2kmi h THR 84 CO -0.13 0.03 -0.19 0.28 -0.01 0.00 0.00 175.52 175.51 2kmi h SER 85 N 0.18 -0.46 -0.87 0.00 0.02 -1.42 -3.20 113.55 107.80 2kmi h SER 85 Ca 0.50 -0.07 0.23 0.00 -0.84 0.00 0.00 61.79 61.61 2kmi h SER 85 Cb 1.65 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 64.26 2kmi h SER 85 CO -0.11 -0.02 0.60 -0.07 -1.14 0.00 0.00 176.83 176.09 2kmi h LEU 86 N -1.07 0.18 -0.79 5.07 3.38 -1.30 -0.30 115.31 120.47 2kmi h LEU 86 Ca -0.05 0.02 0.16 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 0.09 0.07 0.33 -0.50 0.09 0.00 0.00 178.44 178.51 2kmi h TRP 87 N 0.18 0.55 -0.96 1.13 4.06 -1.21 0.13 115.95 119.83 2kmi h TRP 87 Ca 0.43 0.04 0.21 0.00 2.06 0.00 0.00 58.89 61.64 2kmi h TRP 87 Cb 1.43 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 29.38 2kmi h TRP 87 CO -0.00 0.05 0.62 1.96 -3.56 0.00 0.00 178.44 177.51 2kmi h GLN 88 N 0.45 0.48 -0.50 0.49 1.08 -1.14 0.11 115.11 116.08 2kmi h GLN 88 Ca 0.45 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.56 2kmi h GLN 88 Cb 0.71 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2kmi h GLN 88 CO -0.43 0.32 0.08 0.78 -0.95 0.00 0.00 178.83 178.62 2kmi h GLY 89 N 0.49 0.84 1.75 3.46 0.00 -0.87 -2.54 103.07 106.21 2kmi h GLY 89 Ca 0.53 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2kmi h GLY 89 CO -0.25 0.47 0.04 0.23 0.00 0.00 0.00 176.54 177.03 2kmi h SER 90 N 0.75 0.29 -0.26 0.19 0.87 -0.74 -2.87 113.55 111.78 2kmi h SER 90 Ca 0.16 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2kmi h SER 90 Cb 0.35 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.16 2kmi h SER 90 CO 0.01 0.32 -0.25 0.25 -0.53 0.00 0.00 176.83 176.63 2kmi h LEU 91 N 0.32 -0.79 -1.84 2.23 6.46 -1.32 0.18 115.31 120.54 2kmi h LEU 91 Ca 0.08 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2kmi h LEU 91 Cb 0.16 0.38 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2kmi h LEU 91 CO -0.00 -0.28 -0.01 0.15 -0.62 0.00 0.00 178.44 177.68 2kmi h PHE 92 N -0.24 0.08 0.49 1.25 3.57 -1.61 -3.07 116.94 117.40 2kmi h PHE 92 Ca 0.14 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2kmi h PHE 92 Cb 0.47 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2kmi h PHE 92 CO -0.41 0.10 -0.24 -0.97 -2.23 0.00 0.00 178.31 174.56 2kmi h ASN 93 N 0.08 -0.56 0.00 0.41 -1.24 -0.86 -3.38 115.58 110.04 2kmi h ASN 93 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2kmi h ASN 93 Cb 0.08 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2kmi h ASN 93 CO 0.00 -0.15 0.00 0.00 -1.29 0.00 0.00 177.43 175.99 2kmi n ALA 94 N -2.72 2.09 -2.66 1.57 0.00 0.39 -2.55 120.51 116.64 2kmi n ALA 94 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 2kmi n ALA 94 Cb 0.26 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.14 -1.13 -2.54 0.00 2.85 -1.22 -4.86 115.26 107.22 2kmi n ASN 95 Ca 0.00 -1.69 -0.05 0.00 -0.11 0.00 0.00 54.58 52.73 2kmi n ASN 95 Cb 0.00 1.06 -0.04 0.00 1.24 0.00 0.00 39.78 42.04 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2kmi n TYR 96 N 0.13 -4.42 -4.02 1.20 4.02 -1.25 -4.92 117.16 107.90 2kmi n TYR 96 Ca -0.15 2.58 -0.34 0.00 -0.01 0.00 0.00 57.90 59.99 2kmi n TYR 96 Cb 0.72 -3.87 -0.15 0.00 -0.02 0.00 0.00 39.34 36.02 2kmi n TYR 96 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2kmi s ASP 97 N -0.64 3.80 -0.07 7.72 2.15 -1.26 -5.02 116.67 123.35 2kmi s ASP 97 Ca -0.27 -0.65 -0.14 0.00 0.43 0.00 0.00 52.55 51.91 2kmi s ASP 97 Cb 0.02 -1.60 0.03 0.00 -0.30 0.00 0.00 42.92 41.07 2kmi s ASP 97 CO 0.73 -0.04 0.34 0.54 -0.17 0.00 0.00 175.17 176.57 2kmi s VAL 98 N 1.35 0.03 -0.11 1.11 0.11 -1.26 -2.93 120.40 118.70 2kmi s VAL 98 Ca 0.04 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.80 2kmi s VAL 98 Cb -0.14 -0.58 0.06 0.00 -1.53 0.00 0.00 36.38 34.19 2kmi s VAL 98 CO -0.08 -0.13 0.22 -1.58 -3.33 0.00 0.00 175.10 170.20 2kmi s GLN 99 N -0.62 0.10 0.04 1.54 -0.44 0.80 -4.76 119.66 116.32 2kmi s GLN 99 Ca -0.07 0.67 0.05 0.00 -2.50 0.00 0.00 55.36 53.51 2kmi s GLN 99 Cb -0.04 -0.14 -0.02 0.00 -1.64 0.00 0.00 33.01 31.17 2kmi s GLN 99 CO 0.03 -0.30 -0.14 -0.98 0.50 0.00 0.00 175.29 174.40 2kmi s ARG 100 N 2.37 0.96 -0.06 1.67 1.70 -1.26 -0.37 118.95 123.95 2kmi s ARG 100 Ca 0.02 -0.76 -0.08 0.00 -0.47 0.00 0.00 55.73 54.44 2kmi s ARG 100 Cb -0.12 -0.97 0.02 0.00 -0.57 0.00 0.00 34.95 33.31 2kmi s ARG 100 CO -0.07 0.24 0.22 0.12 -1.08 0.00 0.00 175.30 174.73 2kmi s PHE 101 N -0.84 -0.19 -0.04 5.89 5.36 -0.77 -4.35 117.98 123.04 2kmi s PHE 101 Ca 0.02 0.45 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 2kmi s PHE 101 Cb -0.08 0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 2kmi s PHE 101 CO 0.01 -0.18 -0.12 0.42 -1.46 0.00 0.00 175.22 173.90 2kmi s ILE 102 N -0.28 1.03 -0.16 3.12 1.09 -1.26 -0.30 121.20 124.43 2kmi s ILE 102 Ca -0.04 -0.46 -0.07 0.00 -1.10 0.00 0.00 60.65 58.99 2kmi s ILE 102 Cb -0.03 -0.92 0.07 0.00 -1.06 0.00 0.00 42.46 40.52 2kmi s ILE 102 CO 0.01 0.32 0.36 -0.69 -0.10 0.00 0.00 174.94 174.84 2kmi s VAL 103 N 0.38 -0.39 0.00 2.92 1.01 -0.96 -5.03 120.40 118.34 2kmi s VAL 103 Ca -0.08 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.08 2kmi s VAL 103 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2kmi s VAL 103 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2kmi n GLY 104 N 5.01 2.36 0.23 4.51 0.00 -1.26 -3.13 105.19 112.91 2kmi n GLY 104 Ca -0.13 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 9.08 1.85 -4.25 1.61 7.64 -1.26 -5.00 113.62 123.29 2kmi n SER 105 Ca 0.00 -1.56 -0.26 0.00 1.01 0.00 0.00 58.87 58.06 2kmi n SER 105 Cb 0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.67 2.50 0.11 6.43 -4.77 -1.18 -4.34 116.67 114.74 2kmi s ASP 106 Ca 0.08 -0.47 0.08 0.00 -3.30 0.00 0.00 52.55 48.94 2kmi s ASP 106 Cb 0.05 -0.23 -0.04 0.00 -1.09 0.00 0.00 42.92 41.61 2kmi s ASP 106 CO 0.06 0.20 -0.21 0.00 0.70 0.00 0.00 175.17 175.92 2kmi s ARG 107 N -0.94 1.15 0.04 2.11 1.70 -1.20 -2.27 118.95 119.54 2kmi s ARG 107 Ca 0.08 -1.19 0.09 0.00 -0.47 0.00 0.00 55.73 54.24 2kmi s ARG 107 Cb -0.09 -1.41 -0.03 0.00 -0.57 0.00 0.00 34.95 32.86 2kmi s ARG 107 CO 0.01 0.33 -0.26 0.00 -1.08 0.00 0.00 175.30 174.30 2kmi s ALA 108 N -1.22 2.28 -0.05 7.88 0.00 0.60 -3.11 121.76 128.14 2kmi s ALA 108 Ca 0.07 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2kmi s ALA 108 Cb -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2kmi s ALA 108 CO 0.04 0.54 -0.11 -1.50 0.00 0.00 0.00 175.76 174.73 2kmi s ILE 109 N -0.81 1.01 -0.09 0.00 1.10 -0.82 -1.84 121.20 119.76 2kmi s ILE 109 Ca 0.12 -0.44 -0.01 0.00 -0.51 0.00 0.00 60.65 59.81 2kmi s ILE 109 Cb -0.10 -0.92 0.03 0.00 0.15 0.00 0.00 42.46 41.62 2kmi s ILE 109 CO 0.02 0.32 -0.02 0.12 -2.11 0.00 0.00 174.94 173.27 2kmi s PHE 110 N 0.47 0.93 -0.06 3.50 2.19 0.50 -2.66 117.98 122.85 2kmi s PHE 110 Ca -0.09 -0.36 -0.00 0.00 0.33 0.00 0.00 56.93 56.80 2kmi s PHE 110 Cb -0.13 -0.94 0.03 0.00 -1.31 0.00 0.00 43.02 40.66 2kmi s PHE 110 CO 0.02 -0.39 -0.02 0.00 1.83 0.00 0.00 175.22 176.66 2kmi s MET 111 N 1.89 0.68 -0.01 10.12 0.23 -1.18 -0.14 119.30 130.89 2kmi s MET 111 Ca 0.05 0.01 -0.16 0.00 -1.03 0.00 0.00 55.69 54.56 2kmi s MET 111 Cb -0.12 -0.87 0.03 0.00 -1.53 0.00 0.00 34.83 32.33 2kmi s MET 111 CO -0.06 -0.19 0.33 -1.17 -2.03 0.00 0.00 175.02 171.90 2kmi s LEU 112 N 1.42 0.78 0.38 0.18 0.20 -1.15 -3.02 118.68 117.46 2kmi s LEU 112 Ca -0.03 0.08 0.20 0.00 0.69 0.00 0.00 54.13 55.07 2kmi s LEU 112 Cb -0.13 1.34 0.55 0.00 -0.43 0.00 0.00 46.19 47.52 2kmi s LEU 112 CO -0.03 -0.48 1.66 0.08 -0.29 0.00 0.00 176.35 177.30 2kmi h ARG 113 N 3.74 0.00 0.00 1.98 0.11 -1.83 -3.35 114.38 115.03 2kmi h ARG 113 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 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 0.41 0.32 0.00 -0.25 0.10 0.00 0.00 179.97 180.55 2kmi n ASP 114 N -3.32 0.00 0.00 0.08 9.92 -1.26 -3.95 116.55 118.01 2kmi n ASP 114 Ca 0.01 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2kmi n ASP 114 Cb 0.55 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 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 2.26 2.16 0.31 0.44 0.00 -1.26 -4.73 105.19 104.38 2kmi n GLY 115 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.63 -0.72 1.61 0.87 -1.97 0.25 113.55 112.97 2kmi h SER 116 Ca 0.00 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.61 2kmi h SER 116 Cb 0.00 0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 2kmi h SER 116 CO 0.00 -0.32 0.36 0.22 -0.53 0.00 0.00 176.83 176.56 2kmi h TYR 117 N -0.93 0.65 0.00 2.24 3.20 -2.01 -0.49 116.97 119.64 2kmi h TYR 117 Ca -0.08 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 2kmi h TYR 117 Cb 0.63 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2kmi h TYR 117 CO -0.00 0.24 -0.48 0.00 -1.64 0.00 0.00 178.16 176.28 2kmi h ALA 118 N 1.43 1.16 -0.63 1.82 0.00 -1.89 -2.93 119.26 118.22 2kmi h ALA 118 Ca 0.35 -0.44 0.18 0.00 0.00 0.00 0.00 54.91 55.01 2kmi h ALA 118 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2kmi h ALA 118 CO -0.26 0.60 0.51 2.35 0.00 0.00 0.00 179.25 182.45 2kmi h TRP 119 N 0.00 0.00 0.06 0.00 2.91 0.12 0.37 115.95 119.41 2kmi h TRP 119 Ca -0.00 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 2kmi h TRP 119 Cb 0.87 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 2kmi h TRP 119 CO 0.00 0.00 -0.03 1.49 -1.03 0.00 0.00 178.44 178.87 2kmi h GLU 120 N 0.00 -0.08 0.00 2.65 4.22 -1.51 -3.25 114.58 116.61 2kmi h GLU 120 Ca 0.30 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.64 2kmi h GLU 120 Cb 1.32 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 2kmi h GLU 120 CO -0.00 0.43 -0.50 0.97 -2.18 0.00 0.00 179.01 177.72 2kmi h ILE 121 N -0.64 1.31 -0.55 2.32 -0.00 -1.35 -2.94 117.51 115.66 2kmi h ILE 121 Ca -0.01 -1.75 0.16 0.00 -0.00 0.00 0.00 64.86 63.26 2kmi h ILE 121 Cb 0.54 1.96 -0.02 0.00 -0.00 0.00 0.00 36.82 39.30 2kmi h ILE 121 CO 0.01 0.49 0.48 0.07 -0.00 0.00 0.00 178.15 179.21 2kmi h LYS 122 N 0.00 0.00 -0.33 2.19 5.09 -0.36 0.25 116.57 123.41 2kmi h LYS 122 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.65 2kmi h LYS 122 Cb 0.92 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.23 2kmi h LYS 122 CO 0.07 0.00 -0.16 0.22 -2.09 0.00 0.00 179.45 177.49 2kmi h ASP 123 N 0.00 0.58 -0.27 7.07 3.58 -1.59 0.17 116.42 125.96 2kmi h ASP 123 Ca 0.26 -0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.42 2kmi h ASP 123 Cb 1.22 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 2kmi h ASP 123 CO -0.00 0.76 -0.30 0.15 -2.88 0.00 0.00 179.24 176.96 2kmi h PHE 124 N 0.53 0.82 0.31 0.28 3.04 -0.69 -2.05 116.94 119.18 2kmi h PHE 124 Ca 0.09 -0.25 -0.02 0.00 3.98 0.00 0.00 57.97 61.77 2kmi h PHE 124 Cb 0.58 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2kmi h PHE 124 CO 0.02 1.00 -0.15 1.25 -2.02 0.00 0.00 178.31 178.41 2kmi h LEU 125 N 0.41 -0.35 -2.00 0.59 7.12 -1.37 -3.14 115.31 116.56 2kmi h LEU 125 Ca 0.04 -0.19 0.16 0.00 0.13 0.00 0.00 57.88 58.02 2kmi h LEU 125 Cb 0.87 0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.07 2kmi h LEU 125 CO 0.07 0.09 0.40 1.62 -0.13 0.00 0.00 178.44 180.50 2kmi h VAL 126 N -0.90 0.71 -0.82 1.05 3.04 -1.06 -0.15 116.25 118.11 2kmi h VAL 126 Ca -0.04 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.88 2kmi h VAL 126 Cb 0.52 0.72 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 2kmi h VAL 126 CO 0.07 0.00 0.59 -1.28 -1.01 0.00 0.00 177.57 175.94 2kmi h SER 127 N 0.00 0.03 0.20 3.17 0.87 -1.31 -1.00 113.55 115.51 2kmi h SER 127 Ca 0.26 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 2kmi h SER 127 Cb 1.07 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 2kmi h SER 127 CO -0.00 0.01 -0.10 1.56 -0.53 0.00 0.00 176.83 177.77 2kmi h GLN 128 N 0.03 -0.27 -0.54 2.24 7.50 -1.14 -3.46 115.11 119.47 2kmi h GLN 128 Ca 0.40 0.02 -0.23 0.00 0.50 0.00 0.00 58.65 59.33 2kmi h GLN 128 Cb 1.53 0.06 -0.09 0.00 0.05 0.00 0.00 27.48 29.03 2kmi h GLN 128 CO -0.02 -0.18 -0.21 -3.47 -1.50 0.00 0.00 178.83 173.45 2kmi n ASP 129 N -5.21 -5.23 -2.66 1.46 2.03 -0.38 -4.71 116.55 101.84 2kmi n ASP 129 Ca -0.09 0.28 -0.03 0.00 0.52 0.00 0.00 54.79 55.47 2kmi n ASP 129 Cb 0.14 -3.73 0.05 0.00 -0.72 0.00 0.00 41.12 36.85 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kmi n ARG 130 N -1.52 0.18 -3.75 -0.67 0.63 -0.52 -4.65 116.66 106.35 2kmi n ARG 130 Ca -0.11 -0.72 -0.13 0.00 -0.92 0.00 0.00 57.85 55.96 2kmi n ARG 130 Cb 0.52 -0.08 -0.09 0.00 0.45 0.00 0.00 32.46 33.25 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kmi s ALA 132 N -0.59 3.17 -0.14 0.00 0.00 -1.26 -2.80 121.76 120.15 2kmi s ALA 132 Ca -0.07 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.95 2kmi s ALA 132 Cb -0.04 -1.50 0.04 0.00 0.00 0.00 0.00 23.12 21.62 2kmi s ALA 132 CO 0.03 0.45 0.37 -1.21 0.00 0.00 0.00 175.76 175.39 2kmi s GLU 133 N -0.42 0.44 -0.14 0.00 2.02 0.93 -4.13 118.70 117.39 2kmi s GLU 133 Ca 0.07 0.50 -0.11 0.00 0.02 0.00 0.00 54.97 55.45 2kmi s GLU 133 Cb -0.12 0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.36 2kmi s GLU 133 CO 0.02 -0.05 0.37 0.08 0.02 0.00 0.00 175.26 175.69 2kmi s VAL 134 N 0.16 -0.01 -0.06 2.63 1.01 -0.86 -1.29 120.40 121.98 2kmi s VAL 134 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2kmi s VAL 134 Cb -0.03 -0.52 0.04 0.00 0.00 0.00 0.00 36.38 35.87 2kmi s VAL 134 CO 0.01 0.01 0.10 0.42 0.00 0.00 0.00 175.10 175.64 2kmi s THR 135 N 0.56 -0.17 -0.10 3.92 -4.23 0.14 -3.56 115.64 112.20 2kmi s THR 135 Ca -0.03 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 2kmi s THR 135 Cb -0.05 -0.22 0.03 0.00 1.34 0.00 0.00 72.50 73.61 2kmi s THR 135 CO -0.03 0.16 0.35 -1.48 -0.54 0.00 0.00 174.62 173.08 2kmi s LEU 136 N 2.22 0.66 -0.30 4.79 0.05 -1.26 -3.16 118.68 121.67 2kmi s LEU 136 Ca 0.04 0.57 -0.01 0.00 0.05 0.00 0.00 54.13 54.78 2kmi s LEU 136 Cb -0.12 1.27 0.10 0.00 -2.05 0.00 0.00 46.19 45.38 2kmi s LEU 136 CO -0.04 -0.21 0.10 -0.70 -0.55 0.00 0.00 176.35 174.94 2kmi s GLU 137 N -0.20 0.64 -1.47 1.48 2.56 -1.26 -4.91 118.70 115.54 2kmi s GLU 137 Ca -0.04 -0.96 -0.12 0.00 0.00 0.00 0.00 54.97 53.86 2kmi s GLU 137 Cb -0.03 -1.87 0.03 0.00 2.00 0.00 0.00 34.13 34.26 2kmi s GLU 137 CO 0.02 -0.97 2.37 0.41 -0.56 0.00 0.00 175.26 176.52 2kmi n GLY 138 N 4.92 4.49 3.63 -1.50 0.00 -1.26 -4.44 105.19 111.02 2kmi n GLY 138 Ca -0.03 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 2.21 0.84 1.97 1.61 0.74 -1.26 -5.14 119.66 120.63 2kmi s GLN 139 Ca 0.52 0.96 0.00 0.00 0.05 0.00 0.00 55.36 56.89 2kmi s GLN 139 Cb 0.15 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.67 2kmi s GLN 139 CO -0.07 -0.11 0.00 -1.33 -0.55 0.00 0.00 175.29 173.23 2kmi n MET 140 N 2.61 0.00 -3.50 1.67 2.81 -1.26 -4.47 117.12 114.98 2kmi n MET 140 Ca -0.14 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.48 2kmi n MET 140 Cb 0.55 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.97 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 -1.40 3.27 0.01 2.03 4.02 -1.26 -4.46 117.16 119.38 2kmi n TYR 141 Ca 0.00 -4.14 -0.07 0.00 -0.01 0.00 0.00 57.90 53.68 2kmi n TYR 141 Cb 0.00 -0.55 0.11 0.00 -0.02 0.00 0.00 39.34 38.88 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2kmi h PRO 142 N 4.42 0.51 0.00 -0.72 0.13 -1.71 -3.26 132.00 131.36 2kmi h PRO 142 Ca 0.18 -0.27 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2kmi h PRO 142 Cb 0.70 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kmi h PRO 142 CO 0.79 0.85 -0.22 0.78 -0.23 0.00 0.00 178.00 179.96 2kmi h GLY 143 N 1.10 0.00 -1.30 1.56 0.00 -1.76 -3.41 103.07 99.25 2kmi h GLY 143 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.90 2kmi h GLY 143 CO 0.08 0.00 0.17 0.54 0.00 0.00 0.00 176.54 177.33 2kmi s LYS 144 N -1.98 1.77 0.00 4.80 1.02 -1.25 -4.21 119.74 119.88 2kmi s LYS 144 Ca -0.12 -0.71 0.21 0.00 0.02 0.00 0.00 55.97 55.37 2kmi s LYS 144 Cb -0.00 -2.23 0.17 0.00 -0.52 0.00 0.00 37.83 35.25 2kmi s LYS 144 CO 0.35 -1.45 1.16 0.41 -0.92 0.00 0.00 175.35 174.90