#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 -0.06 -0.14 4.76 -1.26 -4.81 118.16 116.64 2kmi n LYS 2 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 2kmi n LYS 2 Cb 0.00 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 33.55 2kmi n LYS 2 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2kmi h LYS 3 N 0.00 0.67 -2.28 1.97 2.10 -2.04 -3.12 116.57 113.88 2kmi h LYS 3 Ca 0.00 -0.05 -0.60 0.00 -2.00 0.00 0.00 60.65 58.00 2kmi h LYS 3 Cb 0.00 -0.15 -0.41 0.00 -0.90 0.00 0.00 32.23 30.77 2kmi h LYS 3 CO 0.00 0.47 -0.55 0.36 -2.00 0.00 0.00 179.45 177.73 2kmi n LYS 4 N -4.44 3.22 -1.16 0.07 2.85 -1.26 -3.79 118.16 113.65 2kmi n LYS 4 Ca 0.04 -4.82 -0.25 0.00 -1.05 0.00 0.00 58.31 52.23 2kmi n LYS 4 Cb 0.07 -2.26 0.04 0.00 -0.65 0.00 0.00 35.03 32.23 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kmi n ASP 5 N -0.02 6.94 -3.96 -5.58 2.03 -1.18 -3.58 116.55 111.20 2kmi n ASP 5 Ca 0.31 -3.36 -0.30 0.00 0.52 0.00 0.00 54.79 51.96 2kmi n ASP 5 Cb 0.39 -1.05 0.22 0.00 -0.72 0.00 0.00 41.12 39.96 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmi s ILE 6 N -3.27 1.70 -0.82 5.18 -0.00 -1.26 -4.99 121.20 117.74 2kmi s ILE 6 Ca 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 60.65 61.13 2kmi s ILE 6 Cb 0.36 -2.56 0.31 0.00 -0.00 0.00 0.00 42.46 40.56 2kmi s ILE 6 CO -0.05 0.00 1.24 0.54 -0.00 0.00 0.00 174.94 176.67 2kmi n ARG 7 N -4.56 3.91 -2.14 0.37 5.12 -1.26 -4.78 116.66 113.33 2kmi n ARG 7 Ca 0.13 -4.70 -0.20 0.00 -1.93 0.00 0.00 57.85 51.14 2kmi n ARG 7 Cb 0.59 -2.36 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kmi n ASP 8 N 0.41 -5.62 -3.24 0.55 2.03 -1.26 -3.20 116.55 106.22 2kmi n ASP 8 Ca 0.34 0.16 -0.12 0.00 0.52 0.00 0.00 54.79 55.69 2kmi n ASP 8 Cb 0.35 -4.77 0.01 0.00 -0.72 0.00 0.00 41.12 35.98 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 -3.44 -2.84 0.12 -0.67 4.01 -1.26 -4.96 117.16 108.11 2kmi n TYR 9 Ca -0.23 1.13 0.00 0.00 -0.16 0.00 0.00 57.90 58.64 2kmi n TYR 9 Cb 0.68 -3.52 0.00 0.00 -0.31 0.00 0.00 39.34 36.18 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 -1.46 -0.05 -2.49 7.72 2.85 -1.19 -4.98 115.26 115.66 2kmi n ASN 10 Ca -0.06 0.41 0.01 0.00 -0.11 0.00 0.00 54.58 54.83 2kmi n ASN 10 Cb 0.56 0.31 0.05 0.00 1.24 0.00 0.00 39.78 41.93 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 -3.38 1.16 0.07 1.20 9.92 -1.26 -4.89 116.55 119.36 2kmi n ASP 11 Ca 0.00 -2.03 -0.02 0.00 -0.53 0.00 0.00 54.79 52.21 2kmi n ASP 11 Cb 0.00 -0.33 0.24 0.00 -0.64 0.00 0.00 41.12 40.38 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kmi h ALA 12 N 2.07 1.15 -0.99 2.24 0.00 -1.93 -2.94 119.26 118.86 2kmi h ALA 12 Ca -0.19 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.54 2kmi h ALA 12 Cb 1.41 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 2kmi h ALA 12 CO 0.12 0.55 0.61 0.38 0.00 0.00 0.00 179.25 180.91 2kmi h ASP 13 N 0.29 0.75 -0.69 0.00 2.03 -1.93 0.22 116.42 117.09 2kmi h ASP 13 Ca 0.04 0.08 0.20 0.00 -0.73 0.00 0.00 57.03 56.62 2kmi h ASP 13 Cb 0.70 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.12 2kmi h ASP 13 CO 0.05 0.29 0.56 0.24 -1.03 0.00 0.00 179.24 179.36 2kmi h MET 14 N 0.74 0.00 -0.47 4.15 2.86 -1.79 0.16 114.93 120.59 2kmi h MET 14 Ca 0.55 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.33 2kmi h MET 14 Cb 0.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 2kmi h MET 14 CO -0.33 0.00 0.42 0.00 1.06 0.00 0.00 176.91 178.06 2kmi h ALA 15 N 1.52 2.27 0.00 6.32 0.00 -0.72 0.25 119.26 128.90 2kmi h ALA 15 Ca 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2kmi h ALA 15 Cb 1.45 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kmi h ALA 15 CO -0.00 -0.66 -0.03 -0.09 0.00 0.00 0.00 179.25 178.47 2kmi h ARG 16 N 0.00 0.00 -0.85 0.00 1.12 -0.84 -2.19 114.38 111.62 2kmi h ARG 16 Ca 0.22 0.00 0.25 0.00 -1.11 0.00 0.00 59.98 59.34 2kmi h ARG 16 Cb 1.06 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.99 2kmi h ARG 16 CO -0.00 0.03 0.61 -0.07 -3.11 0.00 0.00 179.97 177.43 2kmi h LEU 17 N 0.00 0.02 -1.53 3.80 3.38 -0.69 0.25 115.31 120.54 2kmi h LEU 17 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2kmi h LEU 17 Cb 0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2kmi h LEU 17 CO 0.00 0.01 0.36 -0.07 0.09 0.00 0.00 178.44 178.83 2kmi h LEU 18 N 0.02 0.53 -1.49 1.67 4.07 -1.59 -1.43 115.31 117.08 2kmi h LEU 18 Ca 0.41 -0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.51 2kmi h LEU 18 Cb 1.61 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 43.17 2kmi h LEU 18 CO -0.01 0.36 0.53 -0.33 -1.08 0.00 0.00 178.44 177.91 2kmi h GLU 19 N 0.61 0.49 0.00 1.13 4.39 -0.72 0.25 114.58 120.73 2kmi h GLU 19 Ca 0.22 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 2kmi h GLU 19 Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2kmi h GLU 19 CO -0.06 0.32 -0.30 0.37 -1.16 0.00 0.00 179.01 178.19 2kmi h GLN 20 N 0.50 0.00 -1.00 2.33 -0.00 -0.89 -2.66 115.11 113.38 2kmi h GLN 20 Ca 0.39 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 59.16 2kmi h GLN 20 Cb 0.81 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.21 2kmi h GLN 20 CO -0.14 0.30 0.63 2.35 0.00 0.00 0.00 178.83 181.96 2kmi h TRP 21 N 0.00 1.14 0.00 3.99 2.91 -0.52 -3.11 115.95 120.36 2kmi h TRP 21 Ca -0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2kmi h TRP 21 Cb 0.73 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 2kmi h TRP 21 CO 0.00 0.45 0.00 0.39 -1.03 0.00 0.00 178.44 178.25 2kmi n GLU 22 N -4.61 0.00 -2.03 2.65 4.71 -1.14 -4.89 120.64 115.33 2kmi n GLU 22 Ca 0.19 0.47 -0.18 0.00 -0.01 0.00 0.00 57.16 57.64 2kmi n GLU 22 Cb 0.35 -1.40 -0.03 0.00 -1.01 0.00 0.00 31.44 29.35 2kmi n GLU 22 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2kmi n LYS 23 N -1.92 -1.35 0.16 3.49 4.81 -1.18 -4.86 118.16 117.31 2kmi n LYS 23 Ca 0.00 0.97 0.03 0.00 -0.87 0.00 0.00 58.31 58.44 2kmi n LYS 23 Cb 0.00 -5.37 0.20 0.00 0.02 0.00 0.00 35.03 29.88 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 -5.54 3.14 5.19 -1.84 -3.47 116.42 113.90 2kmi h ASP 24 Ca -0.40 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 55.66 2kmi h ASP 24 Cb 1.26 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.91 2kmi h ASP 24 CO 0.51 0.49 -0.68 -0.67 -3.12 0.00 0.00 179.24 175.77 2kmi n ASP 25 N -3.45 -4.41 -0.09 6.45 2.03 -1.26 -4.90 116.55 110.92 2kmi n ASP 25 Ca 0.00 -0.54 -0.01 0.00 0.52 0.00 0.00 54.79 54.76 2kmi n ASP 25 Cb 0.62 -4.84 0.26 0.00 -0.72 0.00 0.00 41.12 36.44 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 -2.25 0.66 -3.74 1.67 3.58 -1.79 -3.43 116.42 111.12 2kmi h ASP 26 Ca -0.55 -0.09 -0.45 0.00 0.42 0.00 0.00 57.03 56.36 2kmi h ASP 26 Cb 1.34 -0.17 0.13 0.00 1.72 0.00 0.00 39.33 42.35 2kmi h ASP 26 CO 0.51 0.62 0.34 0.27 -2.88 0.00 0.00 179.24 178.10 2kmi s ILE 27 N -5.27 2.06 -0.12 2.25 -5.25 -1.26 -5.05 121.20 108.55 2kmi s ILE 27 Ca -0.09 -0.14 -0.04 0.00 -0.99 0.00 0.00 60.65 59.39 2kmi s ILE 27 Cb 0.16 -2.92 -0.06 0.00 2.95 0.00 0.00 42.46 42.59 2kmi s ILE 27 CO 0.78 0.00 -0.14 1.21 -1.79 0.00 0.00 174.94 174.99 2kmi n GLU 28 N -3.44 0.27 -3.98 0.37 2.13 -1.26 -4.98 120.64 109.75 2kmi n GLU 28 Ca 0.13 0.10 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 2kmi n GLU 28 Cb 0.60 -1.02 -0.16 0.00 0.27 0.00 0.00 31.44 31.13 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 -2.23 1.95 -0.16 5.31 2.12 -1.26 -4.99 118.70 119.44 2kmi s GLU 29 Ca -0.17 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.50 2kmi s GLU 29 Cb 0.06 -2.23 -0.12 0.00 0.26 0.00 0.00 34.13 32.09 2kmi s GLU 29 CO 0.23 -0.38 -0.11 0.41 -0.54 0.00 0.00 175.26 174.87 2kmi n GLY 30 N 4.75 -0.32 3.69 -1.50 0.00 -1.26 -4.52 105.19 106.04 2kmi n GLY 30 Ca -0.14 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2kmi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kmi s ASP 31 N -5.45 6.65 0.28 1.61 -1.08 -1.26 -3.23 116.67 114.19 2kmi s ASP 31 Ca -0.20 0.77 0.10 0.00 -0.52 0.00 0.00 52.55 52.71 2kmi s ASP 31 Cb 0.05 -2.30 -0.05 0.00 -1.46 0.00 0.00 42.92 39.16 2kmi s ASP 31 CO 0.42 -0.12 -0.08 -0.76 0.52 0.00 0.00 175.17 175.15 2kmi s LEU 32 N 1.25 2.94 -0.71 -1.34 1.02 -1.26 -4.99 118.68 115.59 2kmi s LEU 32 Ca 0.26 -0.84 -0.26 0.00 0.02 0.00 0.00 54.13 53.31 2kmi s LEU 32 Cb -0.15 -1.43 -0.03 0.00 0.02 0.00 0.00 46.19 44.60 2kmi s LEU 32 CO 0.10 -0.02 1.89 -2.16 0.02 0.00 0.00 176.35 176.19 2kmi s PRO 33 N -3.62 2.60 1.12 1.29 0.04 -1.26 -4.86 135.00 130.31 2kmi s PRO 33 Ca 0.31 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.55 2kmi s PRO 33 Cb -0.05 -4.61 0.25 0.00 0.04 0.00 0.00 34.50 30.13 2kmi s PRO 33 CO 0.18 -2.95 1.00 -0.85 0.04 0.00 0.00 177.00 174.42 2kmi n GLU 34 N 9.08 -2.00 -4.62 4.56 0.28 -1.26 -5.04 120.64 121.64 2kmi n GLU 34 Ca 0.27 -0.55 -0.22 0.00 -0.16 0.00 0.00 57.16 56.50 2kmi n GLU 34 Cb 0.50 -2.19 -0.15 0.00 1.43 0.00 0.00 31.44 31.03 2kmi n GLU 34 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kmi s HIS 35 N -2.45 1.26 0.63 -1.84 2.46 -1.26 -5.06 115.29 109.04 2kmi s HIS 35 Ca 0.68 -0.28 -0.18 0.00 0.47 0.00 0.00 55.06 55.75 2kmi s HIS 35 Cb -0.24 -0.84 -0.04 0.00 -0.13 0.00 0.00 32.58 31.33 2kmi s HIS 35 CO 0.64 -0.07 0.97 0.36 -2.47 0.00 0.00 174.74 174.17 2kmi n LYS 36 N 2.95 0.82 -4.41 2.88 0.00 -1.26 -4.86 118.16 114.28 2kmi n LYS 36 Ca -0.16 0.32 -0.24 0.00 -0.00 0.00 0.00 58.31 58.24 2kmi n LYS 36 Cb 0.55 -2.19 -0.09 0.00 -0.00 0.00 0.00 35.03 33.29 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 -2.91 1.91 0.89 -1.58 0.52 -1.26 -5.14 118.95 111.39 2kmi s ARG 37 Ca 0.77 -1.67 -0.12 0.00 -0.52 0.00 0.00 55.73 54.19 2kmi s ARG 37 Cb -0.40 -1.90 0.13 0.00 0.52 0.00 0.00 34.95 33.30 2kmi s ARG 37 CO 0.47 0.31 1.09 -1.25 0.02 0.00 0.00 175.30 175.94 2kmi s PRO 38 N -3.58 1.27 -0.29 3.54 0.04 -1.26 -4.66 135.00 130.06 2kmi s PRO 38 Ca 0.31 0.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2kmi s PRO 38 Cb -0.05 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2kmi s PRO 38 CO 0.17 -2.23 -0.03 0.45 0.04 0.00 0.00 177.00 175.40 2kmi s SER 39 N -3.43 4.79 -0.27 6.66 0.15 -1.26 -4.82 113.70 115.53 2kmi s SER 39 Ca 0.63 -1.30 -0.38 0.00 0.70 0.00 0.00 55.95 55.60 2kmi s SER 39 Cb -0.18 -1.67 0.15 0.00 -1.71 0.00 0.00 66.02 62.61 2kmi s SER 39 CO 0.57 -0.24 1.35 0.00 1.20 0.00 0.00 173.24 176.11 2kmi s ALA 40 N 1.22 -2.18 -0.12 5.45 0.00 -1.25 -5.05 121.76 119.82 2kmi s ALA 40 Ca -0.06 1.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.44 2kmi s ALA 40 Cb -0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2kmi s ALA 40 CO -0.02 -0.56 1.54 -1.25 0.00 0.00 0.00 175.76 175.46 2kmi s PRO 41 N -2.12 4.12 -0.14 0.00 0.04 -1.18 -4.37 135.00 131.35 2kmi s PRO 41 Ca 0.11 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2kmi s PRO 41 Cb -0.01 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.60 2kmi s PRO 41 CO -0.03 -0.90 -0.20 -1.50 0.04 0.00 0.00 177.00 174.41 2kmi s ILE 42 N 4.12 2.24 -0.24 0.56 2.07 -1.24 -4.30 121.20 124.41 2kmi s ILE 42 Ca 0.68 -0.92 0.15 0.00 -1.41 0.00 0.00 60.65 59.15 2kmi s ILE 42 Cb -0.28 -1.91 0.47 0.00 0.13 0.00 0.00 42.46 40.86 2kmi s ILE 42 CO 0.25 0.54 1.17 -0.90 -1.91 0.00 0.00 174.94 174.09 2kmi n ASP 43 N 4.06 3.00 -0.87 4.50 5.75 -1.25 -3.40 116.55 128.34 2kmi n ASP 43 Ca -0.20 -3.03 -0.11 0.00 -0.01 0.00 0.00 54.79 51.44 2kmi n ASP 43 Cb 0.52 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.15 2kmi n ASP 43 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2kmi n PHE 44 N -0.61 0.00 -2.02 2.11 7.35 -0.95 -4.68 117.46 118.66 2kmi n PHE 44 Ca 0.25 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.93 2kmi n PHE 44 Cb 0.89 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 38.19 2kmi n PHE 44 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2kmi n SER 45 N -0.83 -0.11 -2.65 -2.13 7.64 -1.26 -4.99 113.62 109.29 2kmi n SER 45 Ca -0.11 -1.37 -0.14 0.00 1.01 0.00 0.00 58.87 58.26 2kmi n SER 45 Cb 0.52 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kmi n LYS 46 N 0.02 -2.59 -3.67 1.43 3.00 -1.26 -4.94 118.16 110.15 2kmi n LYS 46 Ca -0.04 0.54 -0.20 0.00 -0.00 0.00 0.00 58.31 58.61 2kmi n LYS 46 Cb 0.59 -5.17 -0.02 0.00 0.00 0.00 0.00 35.03 30.44 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kmi s LEU 47 N -5.78 3.84 0.28 3.14 1.43 -1.26 -4.94 118.68 115.38 2kmi s LEU 47 Ca 0.09 -0.30 0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2kmi s LEU 47 Cb -0.05 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 2kmi s LEU 47 CO 0.11 -0.36 -0.13 1.51 0.23 0.00 0.00 176.35 177.71 2kmi s ASP 48 N -4.07 3.91 0.08 2.29 1.47 -1.26 -3.83 116.67 115.26 2kmi s ASP 48 Ca 0.42 -0.91 -0.16 0.00 1.18 0.00 0.00 52.55 53.08 2kmi s ASP 48 Cb -0.08 -0.48 -0.10 0.00 -0.34 0.00 0.00 42.92 41.92 2kmi s ASP 48 CO 0.29 0.02 1.40 1.55 0.68 0.00 0.00 175.17 179.11 2kmi h PRO 49 N 2.14 0.61 0.00 2.11 0.13 -1.92 -3.49 132.00 131.58 2kmi h PRO 49 Ca -0.41 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2kmi h PRO 49 Cb 1.26 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kmi h PRO 49 CO 0.60 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.70 2kmi n GLY 50 N 0.17 3.17 3.66 1.56 0.00 -1.26 -5.13 105.19 107.35 2kmi n GLY 50 Ca -0.04 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.88 0.00 1.61 1.02 -1.26 -5.02 119.74 116.97 2kmi s LYS 51 Ca 0.00 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.47 2kmi s LYS 51 Cb 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 2kmi s LYS 51 CO 0.00 -2.70 0.00 -0.35 -0.92 0.00 0.00 175.35 171.38 2kmi n PRO 52 N -4.28 -0.74 0.30 -1.68 -0.04 -1.26 -4.82 135.00 122.48 2kmi n PRO 52 Ca 0.11 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.77 2kmi n PRO 52 Cb 0.52 0.00 1.09 0.00 -0.04 0.00 0.00 33.50 35.07 2kmi n PRO 52 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2kmi h GLU 53 N 0.00 0.00 -1.05 0.54 -0.00 -1.95 -2.37 114.58 109.75 2kmi h GLU 53 Ca 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 59.36 59.66 2kmi h GLU 53 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.70 2kmi h GLU 53 CO 0.00 0.00 0.75 1.03 -0.00 0.00 0.00 179.01 180.79 2kmi h SER 54 N 0.00 0.03 -0.12 3.06 0.87 -1.98 -1.38 113.55 114.02 2kmi h SER 54 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2kmi h SER 54 Cb 0.01 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.90 2kmi h SER 54 CO 0.00 0.01 -0.40 0.40 -0.53 0.00 0.00 176.83 176.31 2kmi h ILE 55 N 0.03 0.18 0.00 2.23 2.04 -1.74 0.34 117.51 120.58 2kmi h ILE 55 Ca 0.50 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.35 2kmi h ILE 55 Cb 1.97 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2kmi h ILE 55 CO -0.02 0.00 -0.07 0.17 0.00 0.00 0.00 178.15 178.23 2kmi h LEU 56 N -0.47 0.00 -2.36 1.44 8.10 -1.51 -1.34 115.31 119.17 2kmi h LEU 56 Ca 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.07 2kmi h LEU 56 Cb 0.61 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.83 2kmi h LEU 56 CO -0.38 0.07 -0.01 0.50 -4.11 0.00 0.00 178.44 174.50 2kmi h LYS 57 N 0.00 0.00 0.13 0.17 3.64 -0.84 -2.91 116.57 116.77 2kmi h LYS 57 Ca -0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2kmi h LYS 57 Cb 0.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2kmi h LYS 57 CO 0.01 0.01 -0.47 1.98 -2.27 0.00 0.00 179.45 178.71 2kmi h MET 58 N 0.00 -0.69 -6.17 1.90 4.05 -0.94 -3.43 114.93 109.66 2kmi h MET 58 Ca -0.00 0.05 -0.50 0.00 -0.28 0.00 0.00 59.70 58.97 2kmi h MET 58 Cb 0.03 0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 2kmi h MET 58 CO 0.00 -0.46 -0.39 -0.08 0.23 0.00 0.00 176.91 176.21 2kmi s THR 59 N -5.85 2.73 -0.51 -0.77 -1.32 -1.10 -5.10 115.64 103.72 2kmi s THR 59 Ca -0.16 -1.36 0.03 0.00 -1.21 0.00 0.00 61.69 58.99 2kmi s THR 59 Cb 0.07 -3.02 0.14 0.00 -1.51 0.00 0.00 72.50 68.18 2kmi s THR 59 CO 0.62 -0.02 0.30 -0.54 -2.21 0.00 0.00 174.62 172.77 2kmi s LYS 60 N -4.11 1.68 -0.30 7.08 -0.14 -1.26 -4.91 119.74 117.77 2kmi s LYS 60 Ca 0.47 -2.44 -0.19 0.00 -1.36 0.00 0.00 55.97 52.46 2kmi s LYS 60 Cb -0.03 -2.76 0.19 0.00 -1.68 0.00 0.00 37.83 33.55 2kmi s LYS 60 CO 0.28 -1.18 1.25 0.21 -0.76 0.00 0.00 175.35 175.14 2kmi s LYS 61 N -0.19 0.05 -0.27 1.68 2.20 -1.26 -5.14 119.74 116.81 2kmi s LYS 61 Ca 0.20 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 2kmi s LYS 61 Cb -0.19 0.06 0.08 0.00 -1.51 0.00 0.00 37.83 36.26 2kmi s LYS 61 CO -0.04 -0.03 0.00 0.20 -0.36 0.00 0.00 175.35 175.12 2kmi s GLY 62 N 2.42 1.32 -0.14 5.54 0.00 -1.26 -4.74 107.32 110.45 2kmi s GLY 62 Ca -0.03 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 2kmi s GLY 62 CO -0.13 1.11 0.37 -1.59 0.00 0.00 0.00 173.10 172.86 2kmi s LYS 63 N 1.39 0.42 0.62 2.90 0.00 -1.23 -3.99 119.74 119.85 2kmi s LYS 63 Ca 0.01 0.53 -0.02 0.00 0.00 0.00 0.00 55.97 56.49 2kmi s LYS 63 Cb -0.18 0.19 0.05 0.00 0.00 0.00 0.00 37.83 37.88 2kmi s LYS 63 CO -0.11 -0.06 0.88 -0.08 0.00 0.00 0.00 175.35 175.98 2kmi s THR 64 N 0.28 2.50 -0.17 3.79 -1.32 -1.26 -4.66 115.64 114.80 2kmi s THR 64 Ca -0.01 -0.51 0.01 0.00 -1.21 0.00 0.00 61.69 59.97 2kmi s THR 64 Cb -0.03 -2.99 0.02 0.00 -1.51 0.00 0.00 72.50 67.99 2kmi s THR 64 CO -0.00 0.00 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.03 2kmi s LEU 65 N -4.96 1.92 -0.30 9.08 2.96 -1.26 -4.25 118.68 121.87 2kmi s LEU 65 Ca 0.59 -0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 2kmi s LEU 65 Cb -0.10 -1.28 0.16 0.00 0.50 0.00 0.00 46.19 45.46 2kmi s LEU 65 CO 0.41 -0.05 0.84 -0.32 -1.32 0.00 0.00 176.35 175.91 2kmi s MET 66 N 1.41 0.40 -0.20 1.98 1.75 -1.19 -4.04 119.30 119.41 2kmi s MET 66 Ca 0.04 0.94 -0.19 0.00 -1.25 0.00 0.00 55.69 55.23 2kmi s MET 66 Cb -0.13 0.56 0.05 0.00 2.84 0.00 0.00 34.83 38.15 2kmi s MET 66 CO -0.11 -0.22 0.55 1.41 -0.65 0.00 0.00 175.02 176.00 2kmi s MET 67 N 2.70 0.64 -0.07 4.11 0.00 -1.18 -1.38 119.30 124.12 2kmi s MET 67 Ca 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 55.69 56.40 2kmi s MET 67 Cb -0.10 0.31 0.04 0.00 0.00 0.00 0.00 34.83 35.09 2kmi s MET 67 CO -0.18 -0.08 0.13 -0.06 0.00 0.00 0.00 175.02 174.83 2kmi s PHE 68 N 0.26 -0.09 0.00 4.11 0.08 0.06 -2.67 117.98 119.74 2kmi s PHE 68 Ca -0.00 0.47 -0.08 0.00 0.12 0.00 0.00 56.93 57.44 2kmi s PHE 68 Cb -0.04 -0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.07 2kmi s PHE 68 CO 0.01 -0.25 0.16 0.08 -0.10 0.00 0.00 175.22 175.12 2kmi s VAL 69 N 2.25 0.08 -0.42 -0.44 1.01 -0.40 -0.09 120.40 122.39 2kmi s VAL 69 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2kmi s VAL 69 Cb -0.12 -0.49 0.22 0.00 0.00 0.00 0.00 36.38 35.99 2kmi s VAL 69 CO -0.05 -0.38 0.98 1.07 0.00 0.00 0.00 175.10 176.72 2kmi n THR 70 N 1.37 0.00 -3.60 3.92 5.66 -0.45 -0.19 114.28 120.99 2kmi n THR 70 Ca -0.22 -0.71 -0.04 0.00 -3.05 0.00 0.00 64.05 60.03 2kmi n THR 70 Cb 0.56 0.93 -0.02 0.00 -1.55 0.00 0.00 70.33 70.25 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 0.77 0.00 0.25 1.08 0.11 -1.05 -0.87 120.40 120.70 2kmi s VAL 71 Ca 0.27 -0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2kmi s VAL 71 Cb 0.11 -1.08 -0.09 0.00 -1.53 0.00 0.00 36.38 33.80 2kmi s VAL 71 CO -0.10 0.00 0.94 -0.94 -3.33 0.00 0.00 175.10 171.66 2kmi s SER 72 N -2.24 7.59 0.00 3.54 1.04 -1.26 -3.23 113.70 119.14 2kmi s SER 72 Ca 0.10 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.45 2kmi s SER 72 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2kmi s SER 72 CO -0.04 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2kmi n GLY 73 N 1.31 -1.76 2.70 7.32 0.00 -1.26 -3.55 105.19 109.95 2kmi n GLY 73 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.96 -4.45 1.61 4.05 -1.02 -4.33 115.26 109.16 2kmi n ASN 74 Ca 0.00 -1.83 -0.30 0.00 0.45 0.00 0.00 54.58 52.89 2kmi n ASN 74 Cb 0.00 1.05 -0.06 0.00 1.23 0.00 0.00 39.78 42.00 2kmi n ASN 74 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kmi n PRO 75 N 2.24 1.58 -2.25 1.20 -0.04 -1.26 -2.41 135.00 134.05 2kmi n PRO 75 Ca 0.10 -2.38 -0.01 0.00 -0.04 0.00 0.00 63.50 61.16 2kmi n PRO 75 Cb 0.65 -3.62 0.05 0.00 -0.04 0.00 0.00 33.50 30.53 2kmi n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kmi n THR 76 N 7.57 1.10 -0.31 0.52 -1.04 -1.26 -4.90 114.28 115.96 2kmi n THR 76 Ca 0.46 -2.54 0.10 0.00 -2.04 0.00 0.00 64.05 60.02 2kmi n THR 76 Cb 0.46 0.87 0.27 0.00 -1.82 0.00 0.00 70.33 70.11 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kmi h GLU 77 N 2.02 0.61 -0.42 -2.82 4.11 -1.86 -0.55 114.58 115.68 2kmi h GLU 77 Ca -0.10 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.34 2kmi h GLU 77 Cb 1.46 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 2kmi h GLU 77 CO 0.21 0.40 0.15 1.57 0.07 0.00 0.00 179.01 181.41 2kmi h LYS 78 N 0.63 0.31 -0.38 1.06 2.10 -1.98 -1.46 116.57 116.84 2kmi h LYS 78 Ca 0.51 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 59.12 2kmi h LYS 78 Cb 0.79 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.04 2kmi h LYS 78 CO -0.40 0.20 0.15 0.93 -2.00 0.00 0.00 179.45 178.33 2kmi h GLU 79 N 0.32 0.53 -0.06 0.07 5.08 -1.52 -2.97 114.58 116.02 2kmi h GLU 79 Ca 0.19 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2kmi h GLU 79 Cb 0.18 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 2kmi h GLU 79 CO -0.19 0.44 -0.36 1.15 -1.00 0.00 0.00 179.01 179.05 2kmi h THR 80 N 0.53 0.23 -0.99 1.13 2.02 -0.55 -1.18 112.91 114.10 2kmi h THR 80 Ca 0.13 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.45 2kmi h THR 80 Cb 0.11 0.23 -0.09 0.00 -1.74 0.00 0.00 68.15 66.67 2kmi h THR 80 CO -0.01 0.00 0.62 -0.33 0.37 0.00 0.00 175.52 176.17 2kmi h GLU 81 N -0.48 0.89 -0.02 6.66 5.08 -1.43 0.25 114.58 125.54 2kmi h GLU 81 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2kmi h GLU 81 Cb 0.59 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2kmi h GLU 81 CO -0.33 0.59 0.08 1.49 -1.00 0.00 0.00 179.01 179.84 2kmi h GLU 82 N 0.92 0.00 -0.64 2.33 4.22 -1.19 -1.28 114.58 118.94 2kmi h GLU 82 Ca 0.50 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.85 2kmi h GLU 82 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2kmi h GLU 82 CO -0.28 0.00 0.04 0.82 -2.18 0.00 0.00 179.01 177.41 2kmi h ILE 83 N 0.00 1.27 -1.00 2.32 2.04 -0.18 -2.75 117.51 119.21 2kmi h ILE 83 Ca 0.01 -1.12 0.26 0.00 1.00 0.00 0.00 64.86 65.01 2kmi h ILE 83 Cb 0.16 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 2kmi h ILE 83 CO -0.00 0.41 0.68 0.00 0.00 0.00 0.00 178.15 179.24 2kmi h THR 84 N 1.01 0.54 0.37 -0.27 1.03 -1.32 -0.53 112.91 113.74 2kmi h THR 84 Ca 0.19 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 66.49 2kmi h THR 84 Cb 0.52 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2kmi h THR 84 CO 0.03 0.04 -0.18 0.28 -0.01 0.00 0.00 175.52 175.68 2kmi h SER 85 N 0.22 -0.42 -0.72 0.00 0.02 -1.63 -3.19 113.55 107.84 2kmi h SER 85 Ca 0.52 -0.11 0.19 0.00 -0.84 0.00 0.00 61.79 61.55 2kmi h SER 85 Cb 1.62 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.24 2kmi h SER 85 CO -0.14 0.03 0.51 -0.07 -1.14 0.00 0.00 176.83 176.02 2kmi h LEU 86 N -1.03 0.10 -1.20 5.07 3.38 -1.33 0.37 115.31 120.67 2kmi h LEU 86 Ca -0.05 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2kmi h LEU 86 Cb 0.50 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2kmi h LEU 86 CO 0.08 0.05 0.58 -0.25 0.09 0.00 0.00 178.44 178.99 2kmi h TRP 87 N 0.10 0.94 -0.85 1.13 2.91 -1.12 -1.35 115.95 117.72 2kmi h TRP 87 Ca 0.35 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.55 2kmi h TRP 87 Cb 1.23 -0.30 -0.10 0.00 -0.51 0.00 0.00 29.16 29.48 2kmi h TRP 87 CO -0.00 0.41 0.42 1.96 -1.03 0.00 0.00 178.44 180.20 2kmi h GLN 88 N 0.85 0.57 0.25 2.65 7.50 -0.98 -2.08 115.11 123.86 2kmi h GLN 88 Ca 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.53 2kmi h GLN 88 Cb 0.49 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.89 2kmi h GLN 88 CO -0.19 0.38 -0.12 0.78 -1.50 0.00 0.00 178.83 178.18 2kmi h GLY 89 N 0.59 -0.35 0.53 3.46 0.00 -1.37 -2.60 103.07 103.33 2kmi h GLY 89 Ca 0.47 0.13 0.21 0.00 0.00 0.00 0.00 47.33 48.14 2kmi h GLY 89 CO -0.38 -0.13 0.54 0.23 0.00 0.00 0.00 176.54 176.80 2kmi h SER 90 N -0.44 0.00 -0.08 0.19 0.87 -1.35 -2.04 113.55 110.70 2kmi h SER 90 Ca -0.03 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2kmi h SER 90 Cb 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2kmi h SER 90 CO 0.06 0.00 -0.44 0.25 -0.53 0.00 0.00 176.83 176.17 2kmi h LEU 91 N 0.00 -1.36 -1.50 2.23 6.46 -1.00 -0.60 115.31 119.55 2kmi h LEU 91 Ca 0.34 0.17 0.04 0.00 -0.12 0.00 0.00 57.88 58.32 2kmi h LEU 91 Cb 1.41 0.54 -0.03 0.00 -0.73 0.00 0.00 40.66 41.85 2kmi h LEU 91 CO -0.00 -0.45 0.39 0.15 -0.62 0.00 0.00 178.44 177.91 2kmi h PHE 92 N -0.54 0.63 -0.42 1.25 3.57 -1.46 -2.43 116.94 117.54 2kmi h PHE 92 Ca 0.06 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.66 2kmi h PHE 92 Cb 0.65 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 2kmi h PHE 92 CO -0.48 0.36 -0.10 -0.97 -2.23 0.00 0.00 178.31 174.89 2kmi h ASN 93 N 0.64 -0.37 0.00 0.41 -1.24 -1.07 -3.41 115.58 110.54 2kmi h ASN 93 Ca 0.24 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.38 2kmi h ASN 93 Cb 0.16 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.46 2kmi h ASN 93 CO -0.07 -0.13 0.00 0.00 -1.29 0.00 0.00 177.43 175.94 2kmi n ALA 94 N -2.72 0.59 -2.65 1.57 0.00 -0.92 -2.23 120.51 114.14 2kmi n ALA 94 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2kmi n ALA 94 Cb 0.23 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.52 -1.00 -2.50 0.00 0.23 -1.19 -4.96 115.26 104.33 2kmi n ASN 95 Ca 0.00 -1.50 -0.05 0.00 -0.53 0.00 0.00 54.58 52.49 2kmi n ASN 95 Cb 0.00 0.78 -0.05 0.00 -2.08 0.00 0.00 39.78 38.43 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2kmi n TYR 96 N 0.94 -4.17 -3.31 -2.53 4.01 -1.26 -4.96 117.16 105.89 2kmi n TYR 96 Ca -0.04 2.43 -0.29 0.00 -0.16 0.00 0.00 57.90 59.83 2kmi n TYR 96 Cb 0.75 -3.75 -0.06 0.00 -0.31 0.00 0.00 39.34 35.97 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 1.57 4.22 -4.11 7.72 8.00 -1.25 -5.04 116.55 127.65 2kmi n ASP 97 Ca -0.40 -3.47 -0.21 0.00 0.71 0.00 0.00 54.79 51.42 2kmi n ASP 97 Cb 0.62 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.75 1.06 -0.02 2.53 -7.23 -1.26 -1.74 120.40 110.99 2kmi s VAL 98 Ca 0.40 -0.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.86 2kmi s VAL 98 Cb 0.15 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 36.17 2kmi s VAL 98 CO -0.01 0.18 -0.12 -1.10 -0.31 0.00 0.00 175.10 173.73 2kmi s GLN 99 N -0.64 1.16 0.02 4.82 -0.21 0.84 -4.96 119.66 120.68 2kmi s GLN 99 Ca 0.04 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.03 2kmi s GLN 99 Cb -0.06 -1.07 -0.02 0.00 1.00 0.00 0.00 33.01 32.86 2kmi s GLN 99 CO 0.00 0.21 -0.14 0.50 -2.12 0.00 0.00 175.29 173.74 2kmi s ARG 100 N -0.05 1.00 -0.14 2.91 3.52 -1.25 -1.65 118.95 123.29 2kmi s ARG 100 Ca 0.00 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 54.90 2kmi s ARG 100 Cb -0.08 -0.98 0.05 0.00 -1.56 0.00 0.00 34.95 32.38 2kmi s ARG 100 CO 0.00 0.26 0.34 0.12 -0.81 0.00 0.00 175.30 175.21 2kmi s PHE 101 N -0.59 -0.48 -0.10 5.12 5.36 -1.14 -4.42 117.98 121.74 2kmi s PHE 101 Ca 0.03 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 2kmi s PHE 101 Cb -0.06 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 2kmi s PHE 101 CO 0.00 -0.29 -0.08 0.96 -1.46 0.00 0.00 175.22 174.36 2kmi s ILE 102 N 1.25 0.98 -0.14 3.12 -4.36 -1.26 -1.81 121.20 118.98 2kmi s ILE 102 Ca -0.09 -0.30 -0.13 0.00 -0.26 0.00 0.00 60.65 59.88 2kmi s ILE 102 Cb -0.09 -0.98 0.04 0.00 1.25 0.00 0.00 42.46 42.68 2kmi s ILE 102 CO -0.10 0.35 0.36 0.68 0.24 0.00 0.00 174.94 176.47 2kmi s VAL 103 N 1.43 0.00 0.00 8.37 -7.23 -1.18 -5.06 120.40 116.74 2kmi s VAL 103 Ca -0.01 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2kmi s VAL 103 Cb -0.13 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.29 2kmi s VAL 103 CO -0.05 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2kmi n GLY 104 N 2.87 1.53 1.13 2.32 0.00 -1.26 -3.12 105.19 108.65 2kmi n GLY 104 Ca -0.13 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.34 2kmi n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kmi n SER 105 N 2.15 3.39 -4.26 1.61 3.41 -1.26 -4.92 113.62 113.75 2kmi n SER 105 Ca 0.00 -1.99 -0.26 0.00 -0.26 0.00 0.00 58.87 56.36 2kmi n SER 105 Cb 0.00 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 63.59 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2kmi s ASP 106 N -1.55 2.51 0.03 4.04 1.47 -1.18 -4.39 116.67 117.60 2kmi s ASP 106 Ca 0.38 -0.54 0.07 0.00 1.18 0.00 0.00 52.55 53.64 2kmi s ASP 106 Cb 0.23 -0.20 -0.02 0.00 -0.34 0.00 0.00 42.92 42.58 2kmi s ASP 106 CO 0.32 0.16 -0.21 -0.13 0.68 0.00 0.00 175.17 175.99 2kmi s ARG 107 N -1.25 1.42 0.06 2.11 3.00 -1.20 -3.07 118.95 120.02 2kmi s ARG 107 Ca 0.08 -0.91 0.10 0.00 0.00 0.00 0.00 55.73 54.99 2kmi s ARG 107 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 34.95 33.32 2kmi s ARG 107 CO 0.02 0.39 -0.26 0.00 0.00 0.00 0.00 175.30 175.44 2kmi s ALA 108 N -0.75 2.27 -0.01 2.13 0.00 -0.75 -2.52 121.76 122.13 2kmi s ALA 108 Ca 0.07 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.77 2kmi s ALA 108 Cb -0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 2kmi s ALA 108 CO 0.01 0.53 -0.12 -1.50 0.00 0.00 0.00 175.76 174.68 2kmi s ILE 109 N -0.84 0.98 -0.08 0.00 1.10 0.73 -2.89 121.20 120.20 2kmi s ILE 109 Ca 0.12 -0.54 -0.03 0.00 -0.51 0.00 0.00 60.65 59.69 2kmi s ILE 109 Cb -0.10 -0.82 0.05 0.00 0.15 0.00 0.00 42.46 41.74 2kmi s ILE 109 CO 0.03 0.27 0.17 0.12 -2.11 0.00 0.00 174.94 173.42 2kmi s PHE 110 N -0.30 -0.21 -0.05 3.50 2.19 -0.66 -1.27 117.98 121.18 2kmi s PHE 110 Ca 0.05 0.62 -0.02 0.00 0.33 0.00 0.00 56.93 57.90 2kmi s PHE 110 Cb -0.05 -0.15 0.03 0.00 -1.31 0.00 0.00 43.02 41.54 2kmi s PHE 110 CO -0.00 -0.24 0.12 0.00 1.83 0.00 0.00 175.22 176.92 2kmi s MET 111 N 1.85 0.07 -0.01 10.12 0.23 -1.09 -0.11 119.30 130.36 2kmi s MET 111 Ca -0.02 0.29 -0.16 0.00 -1.03 0.00 0.00 55.69 54.78 2kmi s MET 111 Cb -0.12 -0.15 0.03 0.00 -1.53 0.00 0.00 34.83 33.06 2kmi s MET 111 CO -0.06 -0.14 0.33 -1.17 -2.03 0.00 0.00 175.02 171.95 2kmi s LEU 112 N 0.95 0.77 0.25 0.18 0.20 -0.71 -3.12 118.68 117.19 2kmi s LEU 112 Ca -0.07 0.11 0.10 0.00 0.69 0.00 0.00 54.13 54.96 2kmi s LEU 112 Cb -0.10 1.34 0.27 0.00 -0.43 0.00 0.00 46.19 47.27 2kmi s LEU 112 CO -0.04 -0.46 1.56 0.08 -0.29 0.00 0.00 176.35 177.20 2kmi h ARG 113 N 3.81 0.01 0.00 1.98 -0.00 -1.80 -3.34 114.38 115.04 2kmi h ARG 113 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2kmi h ARG 113 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2kmi h ARG 113 CO 0.40 0.68 -0.01 -0.44 -0.00 0.00 0.00 179.97 180.60 2kmi h ASP 114 N 0.01 0.00 0.00 0.08 5.19 -1.91 -3.39 116.42 116.40 2kmi h ASP 114 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2kmi h ASP 114 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2kmi h ASP 114 CO 0.09 0.12 0.00 0.61 -3.12 0.00 0.00 179.24 176.94 2kmi n GLY 115 N 1.93 1.84 0.49 2.75 0.00 -1.26 -4.65 105.19 106.28 2kmi n GLY 115 Ca -0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.56 -0.17 1.61 0.02 -1.95 0.24 113.55 111.74 2kmi h SER 116 Ca 0.00 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2kmi h SER 116 Cb 0.00 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2kmi h SER 116 CO 0.00 -0.58 0.11 0.22 -1.14 0.00 0.00 176.83 175.44 2kmi h TYR 117 N -0.80 0.20 0.00 3.45 3.20 -2.00 -1.03 116.97 119.99 2kmi h TYR 117 Ca -0.02 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2kmi h TYR 117 Cb 0.78 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2kmi h TYR 117 CO -0.42 0.13 -0.50 0.00 -1.64 0.00 0.00 178.16 175.73 2kmi h ALA 118 N 1.89 1.17 -0.82 1.82 0.00 -1.57 -2.95 119.26 118.81 2kmi h ALA 118 Ca 0.06 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 54.76 2kmi h ALA 118 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kmi h ALA 118 CO -0.01 0.62 0.59 2.35 0.00 0.00 0.00 179.25 182.80 2kmi h TRP 119 N 0.00 0.02 0.79 0.00 2.91 0.83 0.22 115.95 120.73 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 0.89 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2kmi h TRP 119 CO 0.00 0.00 -0.38 1.49 -1.03 0.00 0.00 178.44 178.52 2kmi h GLU 120 N 0.01 -1.03 0.00 2.65 4.81 -1.63 -3.07 114.58 116.32 2kmi h GLU 120 Ca 0.39 0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.59 2kmi h GLU 120 Cb 1.55 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 2kmi h GLU 120 CO -0.01 -0.67 -0.50 0.82 -0.73 0.00 0.00 179.01 177.92 2kmi h ILE 121 N -1.16 1.35 -0.83 2.32 1.08 -1.51 -2.94 117.51 115.82 2kmi h ILE 121 Ca -0.11 -1.71 0.24 0.00 -0.39 0.00 0.00 64.86 62.89 2kmi h ILE 121 Cb 0.83 1.92 -0.04 0.00 -3.07 0.00 0.00 36.82 36.47 2kmi h ILE 121 CO 0.18 0.49 0.59 0.50 -0.69 0.00 0.00 178.15 179.22 2kmi h LYS 122 N 0.00 0.03 0.03 2.37 3.11 -0.50 -0.64 116.57 120.97 2kmi h LYS 122 Ca -0.00 -0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.84 2kmi h LYS 122 Cb 0.88 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.09 2kmi h LYS 122 CO 0.06 0.02 -0.09 -0.44 -2.81 0.00 0.00 179.45 176.20 2kmi h ASP 123 N 0.04 -0.24 -0.26 4.20 5.19 -1.44 -0.46 116.42 123.45 2kmi h ASP 123 Ca 0.40 0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 2kmi h ASP 123 Cb 1.54 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 2kmi h ASP 123 CO -0.02 -0.13 -0.28 0.15 -3.12 0.00 0.00 179.24 175.84 2kmi h PHE 124 N -0.16 0.77 0.35 4.55 3.57 -1.35 -1.03 116.94 123.63 2kmi h PHE 124 Ca 0.02 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 2kmi h PHE 124 Cb 0.19 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2kmi h PHE 124 CO -0.14 0.96 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.31 2kmi h LEU 125 N 0.36 -1.49 -1.52 0.59 3.38 -1.14 -2.00 115.31 113.48 2kmi h LEU 125 Ca 0.04 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2kmi h LEU 125 Cb 0.84 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2kmi h LEU 125 CO 0.07 -0.63 -0.24 1.62 0.09 0.00 0.00 178.44 179.35 2kmi h VAL 126 N -0.91 1.17 -0.82 1.22 3.04 -1.16 -2.53 116.25 116.25 2kmi h VAL 126 Ca -0.04 -0.82 0.23 0.00 -1.01 0.00 0.00 66.70 65.06 2kmi h VAL 126 Cb 0.84 1.44 -0.04 0.00 -2.01 0.00 0.00 31.29 31.52 2kmi h VAL 126 CO -0.16 0.23 0.59 0.28 -1.01 0.00 0.00 177.57 177.50 2kmi h SER 127 N 0.00 0.04 -0.01 3.17 0.02 -0.42 -1.11 113.55 115.24 2kmi h SER 127 Ca -0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2kmi h SER 127 Cb 0.42 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 2kmi h SER 127 CO 0.03 0.01 -0.14 -0.61 -1.14 0.00 0.00 176.83 174.98 2kmi h GLN 128 N 0.03 -0.23 -1.32 3.45 4.15 -1.27 -3.46 115.11 116.47 2kmi h GLN 128 Ca 0.40 0.02 -0.36 0.00 0.77 0.00 0.00 58.65 59.47 2kmi h GLN 128 Cb 1.53 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 29.16 2kmi h GLN 128 CO -0.02 -0.15 -0.36 -3.47 -1.93 0.00 0.00 178.83 172.90 2kmi n ASP 129 N -5.27 -5.12 -2.65 -0.69 -0.08 -0.42 -4.77 116.55 97.54 2kmi n ASP 129 Ca -0.05 0.30 -0.02 0.00 -1.51 0.00 0.00 54.79 53.51 2kmi n ASP 129 Cb 0.19 -4.18 0.09 0.00 2.34 0.00 0.00 41.12 39.56 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 -2.55 0.02 -3.75 -0.67 1.85 -0.05 -4.70 116.66 106.82 2kmi n ARG 130 Ca -0.19 -0.53 -0.13 0.00 -1.00 0.00 0.00 57.85 56.00 2kmi n ARG 130 Cb 0.60 -0.02 -0.10 0.00 -1.05 0.00 0.00 32.46 31.89 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 0.01 1.70 -0.07 0.00 0.00 -1.26 -1.34 121.76 120.80 2kmi s ALA 132 Ca -0.02 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 2kmi s ALA 132 Cb -0.03 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2kmi s ALA 132 CO 0.01 -0.28 0.34 -1.21 0.00 0.00 0.00 175.76 174.62 2kmi s GLU 133 N 1.35 0.55 -0.12 0.00 2.02 0.86 -4.18 118.70 119.19 2kmi s GLU 133 Ca 0.01 0.16 -0.10 0.00 0.02 0.00 0.00 54.97 55.05 2kmi s GLU 133 Cb -0.13 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.38 2kmi s GLU 133 CO -0.07 -0.12 0.31 0.54 0.02 0.00 0.00 175.26 175.94 2kmi s VAL 134 N -0.58 -0.00 -0.10 2.63 0.11 -1.25 -0.76 120.40 120.45 2kmi s VAL 134 Ca -0.07 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2kmi s VAL 134 Cb -0.04 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2kmi s VAL 134 CO 0.03 0.01 0.20 0.28 -3.33 0.00 0.00 175.10 172.28 2kmi s THR 135 N 0.30 -0.31 -0.10 5.04 -1.32 -0.48 -4.11 115.64 114.66 2kmi s THR 135 Ca -0.01 0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.67 2kmi s THR 135 Cb -0.03 -0.35 0.03 0.00 -1.51 0.00 0.00 72.50 70.64 2kmi s THR 135 CO -0.01 0.14 0.34 -1.48 -2.21 0.00 0.00 174.62 171.40 2kmi s LEU 136 N 2.34 0.72 -0.64 9.08 0.05 -1.26 -3.19 118.68 125.77 2kmi s LEU 136 Ca 0.02 0.55 -0.22 0.00 0.05 0.00 0.00 54.13 54.54 2kmi s LEU 136 Cb -0.12 1.21 0.08 0.00 -2.05 0.00 0.00 46.19 45.31 2kmi s LEU 136 CO -0.07 -0.20 0.90 -1.61 -0.55 0.00 0.00 176.35 174.82 2kmi s GLU 137 N -0.19 3.10 0.37 1.48 8.01 -1.26 -4.88 118.70 125.32 2kmi s GLU 137 Ca -0.03 -0.98 0.18 0.00 0.01 0.00 0.00 54.97 54.15 2kmi s GLU 137 Cb -0.03 -4.25 0.67 0.00 -4.31 0.00 0.00 34.13 26.21 2kmi s GLU 137 CO 0.01 -1.74 1.73 0.78 0.01 0.00 0.00 175.26 176.05 2kmi h GLY 138 N 10.97 0.00 -5.99 -1.39 0.00 -1.94 -3.36 103.07 101.36 2kmi h GLY 138 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 2kmi h GLY 138 CO 1.16 0.00 -0.45 1.62 0.00 0.00 0.00 176.54 178.87 2kmi s GLN 139 N -3.65 0.82 0.00 4.80 0.74 -1.26 -4.91 119.66 116.20 2kmi s GLN 139 Ca -0.00 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.14 2kmi s GLN 139 Cb 0.11 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2kmi s GLN 139 CO 0.69 -1.19 0.00 -0.12 -0.55 0.00 0.00 175.29 174.12 2kmi n MET 140 N 4.41 0.00 -3.43 1.67 1.56 -1.26 -5.12 117.12 114.95 2kmi n MET 140 Ca 0.11 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.42 2kmi n MET 140 Cb 0.57 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.92 2kmi n MET 140 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2kmi s TYR 141 N -0.47 -0.52 0.61 1.12 2.02 -1.26 -5.04 117.35 113.81 2kmi s TYR 141 Ca 0.00 0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.84 2kmi s TYR 141 Cb 0.00 0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 42.10 2kmi s TYR 141 CO 0.00 -0.83 1.12 -1.25 -1.57 0.00 0.00 175.55 173.02 2kmi s PRO 142 N -3.70 3.02 -0.08 -1.71 0.04 -1.26 -3.57 135.00 127.74 2kmi s PRO 142 Ca 0.02 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 2kmi s PRO 142 Cb -0.01 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2kmi s PRO 142 CO -0.12 -1.09 -0.19 0.41 0.04 0.00 0.00 177.00 176.04 2kmi n GLY 143 N -0.25 -0.30 3.60 0.56 0.00 -1.26 -3.97 105.19 103.57 2kmi n GLY 143 Ca 0.11 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2kmi n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmi s LYS 144 N -2.44 3.33 0.00 1.61 0.00 -1.26 -3.67 119.74 117.30 2kmi s LYS 144 Ca -0.17 1.25 0.00 0.00 0.00 0.00 0.00 55.97 57.05 2kmi s LYS 144 Cb 0.04 -4.18 0.00 0.00 0.00 0.00 0.00 37.83 33.69 2kmi s LYS 144 CO 0.25 -1.87 0.00 0.41 0.00 0.00 0.00 175.35 174.14