#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 0.14 -0.14 4.01 -1.26 -4.86 118.16 116.04 2kmi n LYS 2 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.81 2kmi n LYS 2 Cb 0.00 0.00 0.12 0.00 -0.51 0.00 0.00 35.03 34.64 2kmi n LYS 2 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2kmi h LYS 3 N 0.00 0.00 -2.08 1.97 1.57 -2.02 -3.36 116.57 112.64 2kmi h LYS 3 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2kmi h LYS 3 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.91 2kmi h LYS 3 CO 0.00 0.59 -0.94 0.36 -0.57 0.00 0.00 179.45 178.89 2kmi n LYS 4 N -3.45 1.53 -2.19 3.15 0.00 -1.26 -4.62 118.16 111.32 2kmi n LYS 4 Ca 0.00 -3.82 -0.34 0.00 -0.00 0.00 0.00 58.31 54.15 2kmi n LYS 4 Cb 0.69 -1.70 0.02 0.00 -0.00 0.00 0.00 35.03 34.04 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kmi n ASP 5 N 0.85 6.23 -4.25 -5.58 2.03 -1.26 -4.56 116.55 110.00 2kmi n ASP 5 Ca 0.25 -3.78 -0.29 0.00 0.52 0.00 0.00 54.79 51.49 2kmi n ASP 5 Cb 0.51 -0.79 0.21 0.00 -0.72 0.00 0.00 41.12 40.33 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 -5.28 1.81 -0.93 5.18 -0.00 -1.26 -4.78 121.20 115.92 2kmi s ILE 6 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 61.15 2kmi s ILE 6 Cb 0.42 -2.51 0.33 0.00 -0.00 0.00 0.00 42.46 40.70 2kmi s ILE 6 CO -0.31 0.00 1.71 -1.14 -0.00 0.00 0.00 174.94 175.20 2kmi n ARG 7 N -4.46 4.81 -2.54 0.37 3.00 -1.26 -4.79 116.66 111.79 2kmi n ARG 7 Ca 0.09 -4.57 -0.13 0.00 -0.00 0.00 0.00 57.85 53.24 2kmi n ARG 7 Cb 0.59 -2.41 -0.00 0.00 0.00 0.00 0.00 32.46 30.63 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kmi n ASP 8 N -0.15 -3.86 -2.99 6.15 8.00 -1.26 -2.73 116.55 119.71 2kmi n ASP 8 Ca 0.45 0.14 -0.07 0.00 0.71 0.00 0.00 54.79 56.02 2kmi n ASP 8 Cb 0.28 -3.28 0.01 0.00 -0.02 0.00 0.00 41.12 38.12 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 -3.45 -3.22 0.05 1.24 9.36 -1.26 -4.98 117.16 114.91 2kmi n TYR 9 Ca -0.13 1.28 0.00 0.00 3.32 0.00 0.00 57.90 62.37 2kmi n TYR 9 Cb 0.60 -3.94 0.00 0.00 -0.63 0.00 0.00 39.34 35.37 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kmi n ASN 10 N -0.92 -0.57 -2.64 2.98 2.85 -1.10 -5.00 115.26 110.86 2kmi n ASN 10 Ca 0.05 0.17 -0.09 0.00 -0.11 0.00 0.00 54.58 54.60 2kmi n ASN 10 Cb 0.49 0.75 0.03 0.00 1.24 0.00 0.00 39.78 42.30 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 -2.74 2.22 -0.18 1.20 8.00 -1.26 -4.89 116.55 118.92 2kmi n ASP 11 Ca 0.00 -2.69 -0.11 0.00 0.71 0.00 0.00 54.79 52.70 2kmi n ASP 11 Cb 0.00 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 40.62 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi h ALA 12 N 2.73 0.72 -0.76 2.24 0.00 -1.95 -3.05 119.26 119.20 2kmi h ALA 12 Ca -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 2kmi h ALA 12 Cb 1.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2kmi h ALA 12 CO 0.46 0.68 0.26 -0.44 0.00 0.00 0.00 179.25 180.20 2kmi h ASP 13 N 0.90 1.08 -0.66 0.00 3.32 -1.91 -2.37 116.42 116.79 2kmi h ASP 13 Ca 0.13 -0.20 0.18 0.00 0.02 0.00 0.00 57.03 57.16 2kmi h ASP 13 Cb 0.74 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2kmi h ASP 13 CO 0.06 0.99 0.47 0.24 -1.72 0.00 0.00 179.24 179.27 2kmi h MET 14 N 1.11 0.08 -0.02 3.56 2.86 -1.77 0.24 114.93 120.99 2kmi h MET 14 Ca 0.25 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2kmi h MET 14 Cb 0.28 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2kmi h MET 14 CO -0.01 0.05 0.07 0.00 1.06 0.00 0.00 176.91 178.08 2kmi h ALA 15 N 1.68 1.25 0.00 6.32 0.00 -1.44 -0.02 119.26 127.05 2kmi h ALA 15 Ca 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kmi h ALA 15 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kmi h ALA 15 CO -0.03 -0.08 -0.02 -0.09 0.00 0.00 0.00 179.25 179.03 2kmi h ARG 16 N 0.00 0.00 -0.82 0.00 2.43 -0.66 -2.64 114.38 112.68 2kmi h ARG 16 Ca 0.01 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.42 2kmi h ARG 16 Cb 0.15 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2kmi h ARG 16 CO -0.00 0.02 0.60 -0.07 -1.51 0.00 0.00 179.97 179.00 2kmi h LEU 17 N 0.00 0.00 -2.10 3.80 3.38 -1.16 0.25 115.31 119.49 2kmi h LEU 17 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kmi h LEU 17 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2kmi h LEU 17 CO 0.00 0.00 0.32 -0.07 0.09 0.00 0.00 178.44 178.78 2kmi h LEU 18 N 0.00 0.00 -1.99 1.67 -0.00 -1.69 -0.04 115.31 113.25 2kmi h LEU 18 Ca 0.39 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.43 2kmi h LEU 18 Cb 1.58 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.22 2kmi h LEU 18 CO -0.00 0.00 0.40 -0.08 -0.00 0.00 0.00 178.44 178.76 2kmi h GLU 19 N 0.00 0.01 0.00 1.13 4.57 -0.73 0.27 114.58 119.83 2kmi h GLU 19 Ca 0.14 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2kmi h GLU 19 Cb 0.78 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 2kmi h GLU 19 CO -0.00 0.00 -0.40 -0.56 -1.18 0.00 0.00 179.01 176.88 2kmi h GLN 20 N 0.01 0.00 -1.01 1.92 -0.00 -1.12 -3.03 115.11 111.87 2kmi h GLN 20 Ca 0.27 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 59.04 2kmi h GLN 20 Cb 1.07 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.46 2kmi h GLN 20 CO -0.00 0.40 0.63 2.35 -0.00 0.00 0.00 178.83 182.20 2kmi h TRP 21 N 0.00 1.14 0.49 0.06 2.91 -0.59 -2.88 115.95 117.09 2kmi h TRP 21 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 2kmi h TRP 21 Cb 0.81 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 2kmi h TRP 21 CO 0.00 0.44 -0.24 1.49 -1.03 0.00 0.00 178.44 179.10 2kmi h GLU 22 N 0.98 -0.64 -6.47 2.65 4.57 -1.62 -3.46 114.58 110.59 2kmi h GLU 22 Ca 0.50 0.04 -0.46 0.00 -1.18 0.00 0.00 59.36 58.27 2kmi h GLU 22 Cb 0.52 0.15 -0.25 0.00 -0.16 0.00 0.00 28.75 29.01 2kmi h GLU 22 CO -0.28 -0.40 -0.67 0.36 -1.18 0.00 0.00 179.01 176.84 2kmi n LYS 23 N -5.22 -1.89 0.15 1.92 2.85 -1.09 -4.78 118.16 110.11 2kmi n LYS 23 Ca -0.09 0.19 0.06 0.00 -1.05 0.00 0.00 58.31 57.42 2kmi n LYS 23 Cb 0.27 -4.80 0.05 0.00 -0.65 0.00 0.00 35.03 29.91 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2kmi h ASP 24 N -0.81 0.00 -1.66 -5.58 1.82 -1.86 -3.48 116.42 104.86 2kmi h ASP 24 Ca -0.46 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 55.83 2kmi h ASP 24 Cb 1.30 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.23 2kmi h ASP 24 CO 0.66 0.32 -0.38 -0.67 -1.61 0.00 0.00 179.24 177.56 2kmi n ASP 25 N -3.11 -5.09 -0.04 2.28 -0.08 -1.26 -4.85 116.55 104.41 2kmi n ASP 25 Ca 0.01 0.21 0.23 0.00 -1.51 0.00 0.00 54.79 53.73 2kmi n ASP 25 Cb 0.67 -4.15 0.72 0.00 2.34 0.00 0.00 41.12 40.70 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kmi h ASP 26 N 0.00 0.00 -3.50 1.67 3.58 -1.79 -3.40 116.42 112.98 2kmi h ASP 26 Ca -0.38 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.40 2kmi h ASP 26 Cb 1.22 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.12 2kmi h ASP 26 CO 0.50 0.00 -0.71 -0.63 -2.88 0.00 0.00 179.24 175.52 2kmi s ILE 27 N -4.90 3.59 -0.06 2.25 -1.09 -1.26 -5.02 121.20 114.71 2kmi s ILE 27 Ca -0.05 -1.14 0.09 0.00 -2.23 0.00 0.00 60.65 57.32 2kmi s ILE 27 Cb 0.19 -2.68 -0.12 0.00 -1.58 0.00 0.00 42.46 38.27 2kmi s ILE 27 CO 0.70 0.14 0.10 1.21 -1.23 0.00 0.00 174.94 175.86 2kmi n GLU 28 N 0.74 1.68 -3.19 2.79 2.13 -1.26 -5.02 120.64 118.51 2kmi n GLU 28 Ca -0.13 -0.04 -0.30 0.00 0.66 0.00 0.00 57.16 57.36 2kmi n GLU 28 Cb 0.52 -1.23 -0.04 0.00 0.27 0.00 0.00 31.44 30.97 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 -2.39 3.71 0.00 5.31 2.12 -1.26 -4.86 118.70 121.34 2kmi s GLU 29 Ca -0.04 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.49 2kmi s GLU 29 Cb 0.04 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.87 2kmi s GLU 29 CO 0.38 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 2kmi n GLY 30 N -0.93 0.18 3.79 -1.50 0.00 -1.25 -4.36 105.19 101.12 2kmi n GLY 30 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2kmi n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kmi s ASP 31 N 0.00 7.27 0.17 1.61 1.47 -1.26 -3.66 116.67 122.28 2kmi s ASP 31 Ca 0.00 1.67 0.05 0.00 1.18 0.00 0.00 52.55 55.45 2kmi s ASP 31 Cb 0.00 -2.51 -0.05 0.00 -0.34 0.00 0.00 42.92 40.02 2kmi s ASP 31 CO 0.00 0.03 -0.10 -0.76 0.68 0.00 0.00 175.17 175.02 2kmi s LEU 32 N -1.81 2.50 -0.31 2.11 1.02 -1.26 -4.97 118.68 115.96 2kmi s LEU 32 Ca 0.45 -1.04 -0.29 0.00 0.02 0.00 0.00 54.13 53.27 2kmi s LEU 32 Cb -0.19 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.57 2kmi s LEU 32 CO 0.24 -0.30 1.68 -2.16 0.02 0.00 0.00 176.35 175.82 2kmi s PRO 33 N -3.73 3.51 0.13 1.29 0.04 -1.26 -5.00 135.00 129.98 2kmi s PRO 33 Ca 0.20 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2kmi s PRO 33 Cb 0.02 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2kmi s PRO 33 CO 0.03 -1.65 -0.10 -1.83 0.04 0.00 0.00 177.00 173.50 2kmi s GLU 34 N 5.25 2.10 0.29 4.56 -1.05 -1.26 -5.08 118.70 123.51 2kmi s GLU 34 Ca 0.74 -1.11 -0.16 0.00 -0.15 0.00 0.00 54.97 54.29 2kmi s GLU 34 Cb -0.21 -2.25 0.02 0.00 -0.44 0.00 0.00 34.13 31.24 2kmi s GLU 34 CO 0.32 0.48 0.64 -1.58 0.95 0.00 0.00 175.26 176.07 2kmi s HIS 35 N -1.39 0.15 0.40 4.83 2.46 -1.26 -5.14 115.29 115.34 2kmi s HIS 35 Ca 0.23 -0.60 -0.25 0.00 0.47 0.00 0.00 55.06 54.91 2kmi s HIS 35 Cb -0.10 0.50 -0.11 0.00 -0.13 0.00 0.00 32.58 32.74 2kmi s HIS 35 CO 0.14 -1.22 0.99 0.36 -2.47 0.00 0.00 174.74 172.54 2kmi n LYS 36 N -0.46 1.32 -4.45 2.88 2.85 -1.26 -4.89 118.16 114.15 2kmi n LYS 36 Ca -0.04 0.47 -0.24 0.00 -1.05 0.00 0.00 58.31 57.45 2kmi n LYS 36 Cb 0.60 -1.99 -0.10 0.00 -0.65 0.00 0.00 35.03 32.90 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kmi s ARG 37 N -1.92 1.78 0.36 -1.58 0.52 -1.26 -5.12 118.95 111.72 2kmi s ARG 37 Ca 0.62 -1.74 -0.27 0.00 -0.52 0.00 0.00 55.73 53.82 2kmi s ARG 37 Cb -0.58 -1.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.98 2kmi s ARG 37 CO 0.57 0.31 1.21 -1.25 0.02 0.00 0.00 175.30 176.16 2kmi s PRO 38 N -3.55 4.24 -0.29 3.54 0.04 -1.26 -4.81 135.00 132.91 2kmi s PRO 38 Ca 0.31 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.21 2kmi s PRO 38 Cb -0.04 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2kmi s PRO 38 CO 0.16 -0.20 0.16 0.45 0.04 0.00 0.00 177.00 177.62 2kmi s SER 39 N -0.87 5.70 -0.18 6.66 0.15 -1.26 -4.00 113.70 119.91 2kmi s SER 39 Ca 0.52 -0.27 -0.35 0.00 0.70 0.00 0.00 55.95 56.55 2kmi s SER 39 Cb -0.34 -2.05 0.14 0.00 -1.71 0.00 0.00 66.02 62.06 2kmi s SER 39 CO 0.44 -0.12 1.20 0.00 1.20 0.00 0.00 173.24 175.95 2kmi s ALA 40 N 1.68 -2.07 0.10 5.45 0.00 -1.20 -4.99 121.76 120.73 2kmi s ALA 40 Ca 0.06 1.54 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 2kmi s ALA 40 Cb -0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 2kmi s ALA 40 CO 0.08 -0.61 1.37 -1.25 0.00 0.00 0.00 175.76 175.35 2kmi s PRO 41 N -2.45 4.33 -0.05 0.00 0.04 -1.26 -2.77 135.00 132.84 2kmi s PRO 41 Ca 0.09 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.22 2kmi s PRO 41 Cb -0.01 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kmi s PRO 41 CO -0.05 -0.44 -0.22 -1.50 0.04 0.00 0.00 177.00 174.84 2kmi s ILE 42 N 1.26 1.80 -0.14 0.56 1.10 -1.20 -4.98 121.20 119.61 2kmi s ILE 42 Ca 0.64 -0.94 -0.05 0.00 -0.51 0.00 0.00 60.65 59.79 2kmi s ILE 42 Cb -0.35 -1.53 0.06 0.00 0.15 0.00 0.00 42.46 40.79 2kmi s ILE 42 CO 0.30 0.51 0.28 -1.81 -2.11 0.00 0.00 174.94 172.11 2kmi s ASP 43 N -0.17 0.18 0.54 4.50 1.01 -1.26 -3.86 116.67 117.61 2kmi s ASP 43 Ca -0.01 0.64 0.29 0.00 0.71 0.00 0.00 52.55 54.18 2kmi s ASP 43 Cb -0.12 0.74 1.45 0.00 1.01 0.00 0.00 42.92 46.00 2kmi s ASP 43 CO 0.02 -0.23 1.93 0.15 0.21 0.00 0.00 175.17 177.26 2kmi h PHE 44 N 8.10 0.00 -0.23 4.23 3.57 -1.12 -2.95 116.94 128.53 2kmi h PHE 44 Ca -0.18 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.11 2kmi h PHE 44 Cb 1.12 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.57 2kmi h PHE 44 CO 0.35 0.00 -0.76 0.45 -2.23 0.00 0.00 178.31 176.13 2kmi n SER 45 N -4.24 0.28 -1.22 0.41 2.88 -1.26 -5.10 113.62 105.36 2kmi n SER 45 Ca 0.14 -2.10 0.13 0.00 -1.33 0.00 0.00 58.87 55.72 2kmi n SER 45 Cb 0.80 0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 64.20 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kmi n LYS 46 N -0.93 -2.86 -3.96 -1.46 3.00 -1.12 -4.87 118.16 105.97 2kmi n LYS 46 Ca -0.04 2.34 -0.34 0.00 -0.00 0.00 0.00 58.31 60.26 2kmi n LYS 46 Cb 0.84 -3.28 -0.14 0.00 0.00 0.00 0.00 35.03 32.44 2kmi n LYS 46 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2kmi s LEU 47 N -6.59 3.19 0.60 3.14 2.96 -1.26 -4.95 118.68 115.77 2kmi s LEU 47 Ca 0.00 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 52.95 2kmi s LEU 47 Cb 0.00 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2kmi s LEU 47 CO 0.00 -0.13 0.99 -1.81 -1.32 0.00 0.00 176.35 174.08 2kmi s ASP 48 N 1.33 6.14 0.53 3.68 1.11 -1.26 -4.97 116.67 123.24 2kmi s ASP 48 Ca 0.00 1.28 0.32 0.00 0.18 0.00 0.00 52.55 54.34 2kmi s ASP 48 Cb -0.17 -2.36 1.33 0.00 1.07 0.00 0.00 42.92 42.80 2kmi s ASP 48 CO -0.04 -0.87 1.98 1.55 1.18 0.00 0.00 175.17 178.97 2kmi h PRO 49 N -0.25 0.00 0.26 8.23 0.13 -2.04 -3.22 132.00 135.11 2kmi h PRO 49 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2kmi h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kmi h PRO 49 CO 0.62 0.05 -0.12 0.78 -0.23 0.00 0.00 178.00 179.10 2kmi h GLY 50 N 1.90 -0.36 -1.79 1.56 0.00 -2.05 -3.44 103.07 98.90 2kmi h GLY 50 Ca -0.00 0.13 -0.52 0.00 0.00 0.00 0.00 47.33 46.94 2kmi h GLY 50 CO 0.01 -0.13 -0.48 0.28 0.00 0.00 0.00 176.54 176.22 2kmi n LYS 51 N -5.23 -0.43 -1.45 4.80 5.02 -1.22 -4.76 118.16 114.89 2kmi n LYS 51 Ca -0.10 -0.08 -0.38 0.00 -2.02 0.00 0.00 58.31 55.73 2kmi n LYS 51 Cb 0.16 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.18 2kmi n LYS 51 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kmi n PRO 52 N -2.15 1.47 0.10 1.97 -0.04 -1.26 -4.63 135.00 130.46 2kmi n PRO 52 Ca 0.07 -2.03 -0.04 0.00 -0.04 0.00 0.00 63.50 61.45 2kmi n PRO 52 Cb 0.54 -3.19 0.06 0.00 -0.04 0.00 0.00 33.50 30.86 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 8.64 0.05 -0.21 0.54 4.11 -1.86 -3.16 114.58 122.69 2kmi h GLU 53 Ca 0.34 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.60 2kmi h GLU 53 Cb 0.77 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kmi h GLU 53 CO 1.70 0.79 -0.42 0.77 0.07 0.00 0.00 179.01 181.92 2kmi h SER 54 N 0.03 0.53 0.47 3.06 0.02 -1.95 -2.60 113.55 113.12 2kmi h SER 54 Ca -0.01 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2kmi h SER 54 Cb 1.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kmi h SER 54 CO 0.10 0.89 -0.23 0.40 -1.14 0.00 0.00 176.83 176.86 2kmi h ILE 55 N 0.41 0.50 -0.07 3.27 1.08 -1.94 -2.77 117.51 117.99 2kmi h ILE 55 Ca 0.03 -0.30 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2kmi h ILE 55 Cb 0.91 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2kmi h ILE 55 CO 0.08 0.05 0.07 -0.07 -0.69 0.00 0.00 178.15 177.59 2kmi h LEU 56 N -0.82 0.00 -1.55 1.44 3.38 -1.59 -0.56 115.31 115.61 2kmi h LEU 56 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2kmi h LEU 56 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2kmi h LEU 56 CO 0.11 0.00 -0.11 0.50 0.09 0.00 0.00 178.44 179.02 2kmi h LYS 57 N 0.00 0.15 0.65 1.13 3.64 -1.17 -3.11 116.57 117.86 2kmi h LYS 57 Ca 0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2kmi h LYS 57 Cb 0.18 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2kmi h LYS 57 CO -0.00 0.27 -0.31 1.98 -2.27 0.00 0.00 179.45 179.11 2kmi h MET 58 N 0.14 -0.84 -4.62 1.90 4.05 -1.02 -3.41 114.93 111.13 2kmi h MET 58 Ca 0.03 0.06 -0.70 0.00 -0.28 0.00 0.00 59.70 58.81 2kmi h MET 58 Cb 0.29 0.19 -0.24 0.00 -0.80 0.00 0.00 31.60 31.04 2kmi h MET 58 CO 0.02 -0.53 -0.53 0.95 0.23 0.00 0.00 176.91 177.05 2kmi s THR 59 N -4.80 4.54 0.11 -0.77 -4.23 -1.17 -5.07 115.64 104.24 2kmi s THR 59 Ca -0.14 -0.81 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 2kmi s THR 59 Cb 0.02 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 2kmi s THR 59 CO 0.46 -0.19 -0.09 -1.59 -0.54 0.00 0.00 174.62 172.67 2kmi s LYS 60 N 1.56 0.88 0.13 3.99 -2.85 -1.26 -4.78 119.74 117.41 2kmi s LYS 60 Ca 0.02 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.74 2kmi s LYS 60 Cb -0.19 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.10 2kmi s LYS 60 CO 0.06 0.06 0.00 1.17 0.10 0.00 0.00 175.35 176.74 2kmi n LYS 61 N 0.29 0.00 -1.34 1.78 3.00 -1.26 -5.13 118.16 115.49 2kmi n LYS 61 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2kmi n LYS 61 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kmi n GLY 62 N 1.96 -0.78 3.26 3.14 0.00 -1.25 -4.77 105.19 106.75 2kmi n GLY 62 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2kmi n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmi s LYS 63 N -0.88 0.95 -0.12 1.61 2.20 -1.26 -3.93 119.74 118.31 2kmi s LYS 63 Ca 0.00 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.73 2kmi s LYS 63 Cb 0.00 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.69 2kmi s LYS 63 CO 0.00 -0.34 0.07 -0.08 -0.36 0.00 0.00 175.35 174.64 2kmi s THR 64 N -3.83 4.89 -0.21 3.43 -1.32 -1.24 -4.21 115.64 113.14 2kmi s THR 64 Ca 0.04 -0.02 -0.02 0.00 -1.21 0.00 0.00 61.69 60.48 2kmi s THR 64 Cb 0.03 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2kmi s THR 64 CO -0.12 0.58 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.56 2kmi s LEU 65 N -0.70 2.68 -0.30 9.08 0.20 -1.26 -4.43 118.68 123.95 2kmi s LEU 65 Ca 0.12 -0.53 -0.12 0.00 0.69 0.00 0.00 54.13 54.29 2kmi s LEU 65 Cb -0.12 -1.65 0.15 0.00 -0.43 0.00 0.00 46.19 44.15 2kmi s LEU 65 CO 0.03 -0.03 0.83 -0.32 -0.29 0.00 0.00 176.35 176.57 2kmi s MET 66 N 1.40 0.42 -0.18 1.98 1.75 -1.19 -3.52 119.30 119.97 2kmi s MET 66 Ca 0.05 1.03 -0.20 0.00 -1.25 0.00 0.00 55.69 55.32 2kmi s MET 66 Cb -0.14 0.62 0.05 0.00 2.84 0.00 0.00 34.83 38.20 2kmi s MET 66 CO -0.07 -0.17 0.54 1.41 -0.65 0.00 0.00 175.02 176.08 2kmi s MET 67 N 2.67 0.67 -0.06 4.11 0.00 -1.15 -0.60 119.30 124.94 2kmi s MET 67 Ca -0.03 0.64 -0.03 0.00 0.00 0.00 0.00 55.69 56.28 2kmi s MET 67 Cb -0.09 0.32 0.04 0.00 0.00 0.00 0.00 34.83 35.10 2kmi s MET 67 CO -0.18 -0.11 0.09 -0.06 0.00 0.00 0.00 175.02 174.77 2kmi s PHE 68 N 0.04 -0.01 -0.00 4.11 0.08 -0.31 -2.87 117.98 119.02 2kmi s PHE 68 Ca -0.02 0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.28 2kmi s PHE 68 Cb -0.04 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2kmi s PHE 68 CO 0.02 -0.23 0.20 0.08 -0.10 0.00 0.00 175.22 175.19 2kmi s VAL 69 N 2.21 0.08 -0.39 -0.44 1.01 -0.98 -0.04 120.40 121.85 2kmi s VAL 69 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2kmi s VAL 69 Cb -0.12 -0.51 0.20 0.00 0.00 0.00 0.00 36.38 35.95 2kmi s VAL 69 CO -0.04 -0.35 0.98 0.28 0.00 0.00 0.00 175.10 175.97 2kmi s THR 70 N -1.42 -0.44 -0.17 3.92 -1.32 -1.03 -1.57 115.64 113.61 2kmi s THR 70 Ca -0.14 -0.37 -0.35 0.00 -1.21 0.00 0.00 61.69 59.62 2kmi s THR 70 Cb -0.07 0.00 0.14 0.00 -1.51 0.00 0.00 72.50 71.06 2kmi s THR 70 CO 0.02 0.00 1.22 0.54 -2.21 0.00 0.00 174.62 174.20 2kmi s VAL 71 N 1.10 0.00 -0.25 5.08 0.11 -1.18 -1.24 120.40 124.02 2kmi s VAL 71 Ca 0.24 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.04 2kmi s VAL 71 Cb 0.08 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 2kmi s VAL 71 CO -0.09 0.00 0.70 -0.94 -3.33 0.00 0.00 175.10 171.43 2kmi s SER 72 N -2.29 6.66 0.00 3.54 1.04 -1.26 -3.24 113.70 118.16 2kmi s SER 72 Ca 0.10 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.35 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 -0.04 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2kmi n GLY 73 N 4.02 1.19 2.69 7.32 0.00 -1.26 -3.69 105.19 115.46 2kmi n GLY 73 Ca 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 2kmi n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kmi n ASN 74 N 0.00 -1.85 -4.56 1.61 4.13 -1.24 -4.38 115.26 108.96 2kmi n ASN 74 Ca 0.00 -1.82 -0.27 0.00 1.68 0.00 0.00 54.58 54.17 2kmi n ASN 74 Cb 0.00 1.01 -0.05 0.00 -1.54 0.00 0.00 39.78 39.20 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 0.61 2.56 -0.29 3.52 0.04 -1.26 -3.99 135.00 136.19 2kmi s PRO 75 Ca 0.26 -0.37 0.19 0.00 0.04 0.00 0.00 61.00 61.13 2kmi s PRO 75 Cb 0.15 -5.08 0.49 0.00 0.04 0.00 0.00 34.50 30.10 2kmi s PRO 75 CO -0.11 -3.42 1.07 0.25 0.04 0.00 0.00 177.00 174.82 2kmi n THR 76 N 7.87 1.34 -0.25 1.26 -2.24 -1.26 -4.90 114.28 116.09 2kmi n THR 76 Ca 0.41 -3.15 0.20 0.00 -2.27 0.00 0.00 64.05 59.23 2kmi n THR 76 Cb 0.47 0.81 0.52 0.00 -2.10 0.00 0.00 70.33 70.03 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kmi h GLU 77 N 2.69 0.38 -0.20 -0.78 4.11 -1.85 0.25 114.58 119.18 2kmi h GLU 77 Ca -0.07 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 59.21 2kmi h GLU 77 Cb 1.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2kmi h GLU 77 CO 0.35 0.25 -0.43 0.87 0.07 0.00 0.00 179.01 180.12 2kmi h LYS 78 N 0.40 0.49 -0.30 1.06 1.79 -1.98 -3.04 116.57 114.98 2kmi h LYS 78 Ca 0.48 -0.26 -0.13 0.00 -2.18 0.00 0.00 60.65 58.56 2kmi h LYS 78 Cb 1.21 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 2kmi h LYS 78 CO -0.18 0.83 -0.36 1.49 -1.08 0.00 0.00 179.45 180.15 2kmi h GLU 79 N 0.40 0.67 -0.72 3.15 4.81 -0.94 -3.09 114.58 118.85 2kmi h GLU 79 Ca 0.03 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2kmi h GLU 79 Cb 0.92 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.26 2kmi h GLU 79 CO 0.08 0.93 0.45 1.79 -0.73 0.00 0.00 179.01 181.53 2kmi h THR 80 N 0.56 1.09 -0.30 0.32 1.35 -1.19 -2.56 112.91 112.18 2kmi h THR 80 Ca 0.06 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2kmi h THR 80 Cb 0.88 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 2kmi h THR 80 CO 0.08 0.16 0.18 -0.08 -0.25 0.00 0.00 175.52 175.61 2kmi h GLU 81 N 0.88 0.36 -0.46 4.72 4.81 -1.48 -1.56 114.58 121.83 2kmi h GLU 81 Ca 0.29 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.64 2kmi h GLU 81 Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2kmi h GLU 81 CO -0.12 0.24 0.44 0.93 -0.73 0.00 0.00 179.01 179.78 2kmi h GLU 82 N 0.37 0.00 -1.00 1.92 5.08 -1.40 0.31 114.58 119.85 2kmi h GLU 82 Ca 0.11 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2kmi h GLU 82 Cb -0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 2kmi h GLU 82 CO -0.04 0.00 0.66 0.82 -1.00 0.00 0.00 179.01 179.45 2kmi h ILE 83 N 0.00 1.22 -0.95 3.13 1.08 -1.12 -1.79 117.51 119.08 2kmi h ILE 83 Ca 0.22 -0.45 0.25 0.00 -0.39 0.00 0.00 64.86 64.49 2kmi h ILE 83 Cb 1.11 -0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 2kmi h ILE 83 CO -0.00 0.24 0.65 0.00 -0.69 0.00 0.00 178.15 178.35 2kmi h THR 84 N 1.32 0.58 0.37 -0.27 1.03 -1.02 0.09 112.91 115.01 2kmi h THR 84 Ca 0.38 -0.07 -0.02 0.00 -0.01 0.00 0.00 66.41 66.69 2kmi h THR 84 Cb -0.08 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.35 2kmi h THR 84 CO -0.10 0.04 -0.18 -1.28 -0.01 0.00 0.00 175.52 173.99 2kmi h SER 85 N 0.21 -0.43 -0.06 0.00 0.87 -1.46 -3.13 113.55 109.55 2kmi h SER 85 Ca 0.48 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2kmi h SER 85 Cb 1.54 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2kmi h SER 85 CO -0.12 0.02 0.11 -0.07 -0.53 0.00 0.00 176.83 176.24 2kmi h LEU 86 N -1.02 0.00 -0.34 2.23 3.38 -1.33 -2.49 115.31 115.75 2kmi h LEU 86 Ca -0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2kmi h LEU 86 Cb 0.51 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 2kmi h LEU 86 CO 0.08 0.00 -0.17 -0.25 0.09 0.00 0.00 178.44 178.19 2kmi h TRP 87 N 0.00 -0.43 -0.78 1.13 7.01 -0.95 0.44 115.95 122.37 2kmi h TRP 87 Ca 0.03 0.04 0.16 0.00 2.11 0.00 0.00 58.89 61.22 2kmi h TRP 87 Cb 0.25 0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 2kmi h TRP 87 CO 0.00 -0.25 0.52 -0.56 -2.79 0.00 0.00 178.44 175.36 2kmi h GLN 88 N -0.12 0.40 0.22 2.65 3.07 -1.56 -2.29 115.11 117.47 2kmi h GLN 88 Ca 0.17 -0.02 0.01 0.00 0.09 0.00 0.00 58.65 58.90 2kmi h GLN 88 Cb 0.39 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.83 2kmi h GLN 88 CO -0.42 0.26 -0.29 0.78 0.09 0.00 0.00 178.83 179.26 2kmi h GLY 89 N 0.41 -0.61 0.28 0.06 0.00 -1.04 -1.87 103.07 100.30 2kmi h GLY 89 Ca 0.38 0.34 0.22 0.00 0.00 0.00 0.00 47.33 48.27 2kmi h GLY 89 CO -0.12 -0.25 0.60 1.76 0.00 0.00 0.00 176.54 178.53 2kmi h SER 90 N -0.57 0.28 -0.94 0.19 0.02 -1.31 0.29 113.55 111.51 2kmi h SER 90 Ca 0.01 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.15 2kmi h SER 90 Cb 0.55 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.97 2kmi h SER 90 CO -0.10 0.11 0.54 0.25 -1.14 0.00 0.00 176.83 176.48 2kmi h LEU 91 N 0.28 0.69 -0.11 5.07 5.85 -1.28 -1.05 115.31 124.76 2kmi h LEU 91 Ca 0.45 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 59.21 2kmi h LEU 91 Cb 1.33 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2kmi h LEU 91 CO -0.13 0.28 -0.13 0.15 -0.34 0.00 0.00 178.44 178.27 2kmi h PHE 92 N 0.73 0.34 0.20 1.25 3.04 -0.96 -3.28 116.94 118.26 2kmi h PHE 92 Ca 0.52 -0.11 0.01 0.00 3.98 0.00 0.00 57.97 62.37 2kmi h PHE 92 Cb 0.76 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.16 2kmi h PHE 92 CO -0.04 0.72 -0.51 -0.97 -2.02 0.00 0.00 178.31 175.48 2kmi h ASN 93 N -0.13 -1.52 0.00 0.41 -1.24 -1.20 -3.44 115.58 108.47 2kmi h ASN 93 Ca 0.01 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.18 2kmi h ASN 93 Cb 0.67 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.27 2kmi h ASN 93 CO 0.03 -0.57 0.00 0.00 -1.29 0.00 0.00 177.43 175.60 2kmi n ALA 94 N -2.89 2.05 0.00 1.57 0.00 -0.50 -0.53 120.51 120.22 2kmi n ALA 94 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kmi n ALA 94 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.08 0.00 -2.59 0.00 6.94 -1.22 -4.89 115.26 112.42 2kmi n ASN 95 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 54.58 54.51 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 0.00 -1.03 0.00 0.00 177.26 176.23 2kmi n TYR 96 N 0.00 -4.50 -3.74 -2.53 9.36 -1.25 -4.91 117.16 109.59 2kmi n TYR 96 Ca 0.00 2.63 -0.29 0.00 3.32 0.00 0.00 57.90 63.56 2kmi n TYR 96 Cb 0.00 -3.90 -0.12 0.00 -0.63 0.00 0.00 39.34 34.69 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kmi s ASP 97 N -0.65 3.67 -0.12 2.98 1.01 -1.25 -5.00 116.67 117.30 2kmi s ASP 97 Ca -0.27 -3.14 -0.13 0.00 0.71 0.00 0.00 52.55 49.72 2kmi s ASP 97 Cb 0.02 -1.17 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2kmi s ASP 97 CO 0.73 -0.19 0.35 -0.69 0.21 0.00 0.00 175.17 175.59 2kmi s VAL 98 N -0.35 0.01 0.02 -1.27 1.01 -1.26 -1.26 120.40 117.30 2kmi s VAL 98 Ca 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2kmi s VAL 98 Cb -0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2kmi s VAL 98 CO -0.09 -0.03 -0.08 -1.10 0.00 0.00 0.00 175.10 173.80 2kmi s GLN 99 N -0.01 0.54 -0.03 2.72 1.11 0.78 -4.87 119.66 119.90 2kmi s GLN 99 Ca -0.02 -0.51 0.03 0.00 0.01 0.00 0.00 55.36 54.87 2kmi s GLN 99 Cb -0.03 -0.43 -0.00 0.00 -1.01 0.00 0.00 33.01 31.54 2kmi s GLN 99 CO 0.01 0.10 -0.12 0.50 0.01 0.00 0.00 175.29 175.79 2kmi s ARG 100 N -0.89 1.23 -0.03 2.91 3.00 -1.26 -1.68 118.95 122.22 2kmi s ARG 100 Ca -0.03 -0.43 0.01 0.00 -1.00 0.00 0.00 55.73 54.28 2kmi s ARG 100 Cb -0.06 -1.12 0.02 0.00 0.00 0.00 0.00 34.95 33.78 2kmi s ARG 100 CO 0.00 0.18 -0.04 0.12 0.00 0.00 0.00 175.30 175.57 2kmi s PHE 101 N 0.06 0.61 -0.11 5.12 5.36 -1.05 -4.34 117.98 123.63 2kmi s PHE 101 Ca -0.02 -0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2kmi s PHE 101 Cb -0.09 -0.54 0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2kmi s PHE 101 CO 0.01 -0.14 -0.07 0.42 -1.46 0.00 0.00 175.22 173.98 2kmi s ILE 102 N 0.72 0.98 -0.14 3.12 1.01 -1.26 -1.73 121.20 123.90 2kmi s ILE 102 Ca -0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2kmi s ILE 102 Cb -0.12 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.38 2kmi s ILE 102 CO -0.00 0.36 0.36 0.54 0.00 0.00 0.00 174.94 176.20 2kmi s VAL 103 N 1.73 -0.01 0.00 2.92 0.11 -1.19 -5.06 120.40 118.90 2kmi s VAL 103 Ca 0.05 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2kmi s VAL 103 Cb -0.13 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2kmi s VAL 103 CO -0.08 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2kmi n GLY 104 N 3.32 1.49 1.11 6.54 0.00 -1.26 -3.12 105.19 113.26 2kmi n GLY 104 Ca -0.16 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.30 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 1.93 3.33 -4.24 1.61 3.41 -1.26 -4.91 113.62 113.48 2kmi n SER 105 Ca 0.00 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.37 2kmi n SER 105 Cb 0.00 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.53 2.48 0.06 4.04 -4.77 -1.18 -4.38 116.67 111.38 2kmi s ASP 106 Ca 0.38 -0.47 0.07 0.00 -3.30 0.00 0.00 52.55 49.23 2kmi s ASP 106 Cb 0.22 -0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 41.79 2kmi s ASP 106 CO 0.31 0.20 -0.21 -0.13 0.70 0.00 0.00 175.17 176.05 2kmi s ARG 107 N -0.93 1.31 0.04 2.11 3.00 -1.20 -3.14 118.95 120.15 2kmi s ARG 107 Ca 0.08 -0.99 0.08 0.00 0.00 0.00 0.00 55.73 54.90 2kmi s ARG 107 Cb -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 34.95 33.38 2kmi s ARG 107 CO 0.01 0.36 -0.22 0.00 0.00 0.00 0.00 175.30 175.45 2kmi s ALA 108 N -0.89 1.89 -0.06 2.13 0.00 -0.71 -3.12 121.76 121.00 2kmi s ALA 108 Ca 0.07 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2kmi s ALA 108 Cb -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 108 CO 0.02 0.43 -0.10 -1.50 0.00 0.00 0.00 175.76 174.62 2kmi s ILE 109 N -0.77 0.98 -0.11 0.00 1.10 -0.61 -2.51 121.20 119.27 2kmi s ILE 109 Ca 0.09 -0.38 -0.00 0.00 -0.51 0.00 0.00 60.65 59.84 2kmi s ILE 109 Cb -0.09 -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 -0.07 0.12 -2.11 0.00 0.00 174.94 173.22 2kmi s PHE 110 N 0.76 1.43 -0.01 3.50 5.36 -0.68 -2.31 117.98 126.02 2kmi s PHE 110 Ca -0.13 -0.70 -0.00 0.00 -0.96 0.00 0.00 56.93 55.13 2kmi s PHE 110 Cb -0.15 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 2kmi s PHE 110 CO 0.02 -0.50 0.02 0.00 -1.46 0.00 0.00 175.22 173.31 2kmi s MET 111 N 1.73 -0.02 -0.02 10.12 0.23 -1.14 -0.15 119.30 130.05 2kmi s MET 111 Ca 0.05 0.13 -0.13 0.00 -1.03 0.00 0.00 55.69 54.71 2kmi s MET 111 Cb -0.13 -0.17 0.02 0.00 -1.53 0.00 0.00 34.83 33.03 2kmi s MET 111 CO -0.08 -0.12 0.28 -1.17 -2.03 0.00 0.00 175.02 171.90 2kmi s LEU 112 N 0.73 0.99 0.28 0.18 1.98 -0.39 -2.96 118.68 119.50 2kmi s LEU 112 Ca -0.06 0.05 0.08 0.00 -2.89 0.00 0.00 54.13 51.32 2kmi s LEU 112 Cb -0.09 1.14 0.39 0.00 0.66 0.00 0.00 46.19 48.29 2kmi s LEU 112 CO -0.02 -0.42 1.64 0.03 -1.89 0.00 0.00 176.35 175.69 2kmi h ARG 113 N 4.03 0.10 0.00 1.98 3.08 -1.79 -3.35 114.38 118.43 2kmi h ARG 113 Ca -0.30 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2kmi h ARG 113 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2kmi h ARG 113 CO 0.40 0.63 -0.42 -0.44 -1.07 0.00 0.00 179.97 179.06 2kmi h ASP 114 N 0.08 0.00 0.00 7.04 3.32 -1.90 -3.27 116.42 121.69 2kmi h ASP 114 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmi h ASP 114 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2kmi h ASP 114 CO 0.08 0.70 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 2kmi n GLY 115 N 1.65 2.05 0.34 2.75 0.00 -1.26 -4.67 105.19 106.05 2kmi n GLY 115 Ca -0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.02 0.52 1.61 0.02 -1.95 -0.59 113.55 112.14 2kmi h SER 116 Ca 0.00 0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 2kmi h SER 116 Cb 0.00 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2kmi h SER 116 CO 0.00 -0.38 -0.50 1.88 -1.14 0.00 0.00 176.83 176.69 2kmi h TYR 117 N -0.44 0.00 0.00 3.45 -1.99 -2.01 -2.84 116.97 113.13 2kmi h TYR 117 Ca 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 2kmi h TYR 117 Cb 0.56 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.29 2kmi h TYR 117 CO -0.39 0.50 -0.13 0.00 -0.00 0.00 0.00 178.16 178.15 2kmi h ALA 118 N 1.50 1.77 -0.87 3.88 0.00 -1.62 -2.28 119.26 121.64 2kmi h ALA 118 Ca -0.01 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.03 2kmi h ALA 118 Cb 0.90 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2kmi h ALA 118 CO 0.07 0.16 0.61 2.35 0.00 0.00 0.00 179.25 182.44 2kmi h TRP 119 N 0.00 0.15 0.49 0.00 2.91 -0.89 0.27 115.95 118.87 2kmi h TRP 119 Ca -0.00 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2kmi h TRP 119 Cb 0.23 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 2kmi h TRP 119 CO 0.00 0.04 -0.23 1.49 -1.03 0.00 0.00 178.44 178.70 2kmi h GLU 120 N 0.11 -0.63 0.00 2.65 4.81 -1.60 -3.22 114.58 116.70 2kmi h GLU 120 Ca 0.43 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2kmi h GLU 120 Cb 1.51 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.04 2kmi h GLU 120 CO -0.05 -0.40 -0.01 0.82 -0.73 0.00 0.00 179.01 178.63 2kmi h ILE 121 N -1.16 1.00 0.08 2.32 2.04 -1.50 -2.92 117.51 117.38 2kmi h ILE 121 Ca -0.07 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.76 2kmi h ILE 121 Cb 0.52 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2kmi h ILE 121 CO 0.11 0.01 -0.48 0.50 0.00 0.00 0.00 178.15 178.30 2kmi h LYS 122 N 0.00 -0.66 -0.92 2.37 1.63 -0.51 0.24 116.57 118.71 2kmi h LYS 122 Ca -0.00 0.05 0.21 0.00 -0.85 0.00 0.00 60.65 60.06 2kmi h LYS 122 Cb 0.03 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 31.74 2kmi h LYS 122 CO 0.00 -0.44 0.61 0.22 -3.45 0.00 0.00 179.45 176.39 2kmi h ASP 123 N -0.69 0.40 0.22 4.20 3.58 -1.53 0.24 116.42 122.85 2kmi h ASP 123 Ca 0.02 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2kmi h ASP 123 Cb 0.72 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2kmi h ASP 123 CO -0.29 0.15 -0.11 -0.26 -2.88 0.00 0.00 179.24 175.85 2kmi h PHE 124 N 0.40 -0.27 0.75 0.28 -1.00 -1.15 -2.38 116.94 113.58 2kmi h PHE 124 Ca 0.49 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.22 2kmi h PHE 124 Cb 1.23 0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.88 2kmi h PHE 124 CO -0.00 0.12 -0.38 -0.07 -1.61 0.00 0.00 178.31 176.36 2kmi h LEU 125 N -0.82 -0.92 -1.99 1.54 3.38 0.23 -2.34 115.31 114.38 2kmi h LEU 125 Ca -0.03 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.21 2kmi h LEU 125 Cb 0.51 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2kmi h LEU 125 CO 0.05 -0.64 0.59 1.62 0.09 0.00 0.00 178.44 180.16 2kmi h VAL 126 N -1.04 0.56 -0.92 1.22 3.04 -0.69 0.74 116.25 119.17 2kmi h VAL 126 Ca -0.10 0.00 0.25 0.00 -1.01 0.00 0.00 66.70 65.84 2kmi h VAL 126 Cb 0.81 0.58 -0.05 0.00 -2.01 0.00 0.00 31.29 30.62 2kmi h VAL 126 CO 0.16 0.00 0.64 0.77 -1.01 0.00 0.00 177.57 178.13 2kmi h SER 127 N 0.00 0.13 -0.34 3.17 4.64 -0.86 0.32 113.55 120.61 2kmi h SER 127 Ca 0.38 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2kmi h SER 127 Cb 1.57 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.63 2kmi h SER 127 CO -0.00 0.04 0.21 1.56 -0.87 0.00 0.00 176.83 177.77 2kmi h GLN 128 N 0.12 0.46 -1.14 4.77 1.08 -0.94 -3.46 115.11 116.01 2kmi h GLN 128 Ca 0.45 -0.04 -0.43 0.00 -1.45 0.00 0.00 58.65 57.19 2kmi h GLN 128 Cb 1.59 -0.10 -0.16 0.00 -0.05 0.00 0.00 27.48 28.77 2kmi h GLN 128 CO -0.07 0.35 -0.40 -3.47 -0.95 0.00 0.00 178.83 174.29 2kmi n ASP 129 N -4.81 -5.51 -2.65 1.46 -0.08 0.10 -4.72 116.55 100.33 2kmi n ASP 129 Ca -0.01 0.48 -0.02 0.00 -1.51 0.00 0.00 54.79 53.73 2kmi n ASP 129 Cb 0.05 -4.85 0.12 0.00 2.34 0.00 0.00 41.12 38.78 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 -2.42 0.01 -3.75 -0.67 1.85 -0.37 -4.66 116.66 106.65 2kmi n ARG 130 Ca -0.21 -0.52 -0.13 0.00 -1.00 0.00 0.00 57.85 55.99 2kmi n ARG 130 Cb 0.68 -0.01 -0.09 0.00 -1.05 0.00 0.00 32.46 31.99 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 -0.57 2.37 -0.07 0.00 0.00 -1.26 -2.46 121.76 119.77 2kmi s ALA 132 Ca -0.07 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2kmi s ALA 132 Cb -0.04 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 22.10 2kmi s ALA 132 CO 0.03 0.22 0.33 -2.00 0.00 0.00 0.00 175.76 174.34 2kmi s GLU 133 N 0.42 0.54 -0.08 0.00 2.12 0.94 -3.89 118.70 118.76 2kmi s GLU 133 Ca -0.14 0.14 -0.14 0.00 0.36 0.00 0.00 54.97 55.19 2kmi s GLU 133 Cb -0.17 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.50 2kmi s GLU 133 CO 0.06 -0.12 0.35 0.54 -0.54 0.00 0.00 175.26 175.55 2kmi s VAL 134 N -0.60 0.02 -0.05 3.70 0.11 -1.24 -1.16 120.40 121.19 2kmi s VAL 134 Ca -0.07 -0.19 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2kmi s VAL 134 Cb -0.04 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kmi s VAL 134 CO 0.02 -0.11 0.07 -0.89 -3.33 0.00 0.00 175.10 170.87 2kmi s THR 135 N -0.46 -0.13 -0.02 5.04 2.01 0.23 -4.46 115.64 117.85 2kmi s THR 135 Ca -0.06 0.40 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 2kmi s THR 135 Cb -0.04 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.32 2kmi s THR 135 CO 0.02 0.16 0.33 -1.48 -0.69 0.00 0.00 174.62 172.96 2kmi s LEU 136 N 2.19 0.78 -0.29 4.42 0.05 -1.26 -3.18 118.68 121.38 2kmi s LEU 136 Ca 0.05 0.15 -0.02 0.00 0.05 0.00 0.00 54.13 54.36 2kmi s LEU 136 Cb -0.12 1.31 0.10 0.00 -2.05 0.00 0.00 46.19 45.43 2kmi s LEU 136 CO -0.04 -0.44 0.10 -1.61 -0.55 0.00 0.00 176.35 173.82 2kmi s GLU 137 N -1.24 0.60 -1.03 1.48 8.01 -1.26 -4.77 118.70 120.49 2kmi s GLU 137 Ca -0.13 -0.89 -0.06 0.00 0.01 0.00 0.00 54.97 53.90 2kmi s GLU 137 Cb -0.05 -1.82 0.01 0.00 -4.31 0.00 0.00 34.13 27.96 2kmi s GLU 137 CO 0.04 -0.96 2.76 0.41 0.01 0.00 0.00 175.26 177.52 2kmi n GLY 138 N 4.95 4.53 3.64 -1.39 0.00 -1.26 -4.41 105.19 111.24 2kmi n GLY 138 Ca -0.04 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2kmi n GLY 138 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kmi s GLN 139 N -0.26 0.77 1.90 1.61 0.00 -1.26 -5.14 119.66 117.28 2kmi s GLN 139 Ca 0.60 1.11 0.00 0.00 -0.00 0.00 0.00 55.36 57.08 2kmi s GLN 139 Cb 0.24 0.27 0.00 0.00 0.00 0.00 0.00 33.01 33.52 2kmi s GLN 139 CO -0.10 -0.12 0.00 -0.12 0.00 0.00 0.00 175.29 174.94 2kmi n MET 140 N 3.52 0.00 -3.38 9.60 1.56 -1.26 -4.39 117.12 122.76 2kmi n MET 140 Ca -0.17 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.95 2kmi n MET 140 Cb 0.57 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.88 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2kmi n TYR 141 N -1.52 3.40 -2.06 1.12 4.01 -1.25 -4.50 117.16 116.35 2kmi n TYR 141 Ca 0.00 -3.86 -0.28 0.00 -0.16 0.00 0.00 57.90 53.60 2kmi n TYR 141 Cb 0.00 -0.73 -0.06 0.00 -0.31 0.00 0.00 39.34 38.24 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kmi s PRO 142 N -2.43 2.51 0.00 -0.72 0.04 -1.26 -3.24 135.00 129.90 2kmi s PRO 142 Ca 0.37 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.48 2kmi s PRO 142 Cb 0.11 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2kmi s PRO 142 CO -0.00 -3.82 0.00 0.41 0.04 0.00 0.00 177.00 173.63 2kmi n GLY 143 N 6.10 1.64 3.63 0.56 0.00 -1.12 -3.71 105.19 112.28 2kmi n GLY 143 Ca 0.43 -0.78 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 2kmi n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kmi n LYS 144 N 0.00 1.62 0.00 1.61 4.81 -1.26 -3.22 118.16 121.73 2kmi n LYS 144 Ca 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2kmi n LYS 144 Cb 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 32.93 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98