#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 0.01 2.89 3.00 -1.26 -4.95 118.16 117.85 2kmi n LYS 2 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 2kmi n LYS 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.17 2kmi n LYS 2 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kmi h LYS 3 N 0.00 0.50 -2.24 1.64 6.56 -2.06 -3.31 116.57 117.67 2kmi h LYS 3 Ca 0.00 -0.24 -0.59 0.00 -1.06 0.00 0.00 60.65 58.76 2kmi h LYS 3 Cb 0.00 -0.00 -0.42 0.00 -0.57 0.00 0.00 32.23 31.24 2kmi h LYS 3 CO 0.00 0.80 -0.62 0.36 -2.06 0.00 0.00 179.45 177.93 2kmi n LYS 4 N -4.05 2.91 -2.72 3.15 0.00 -1.26 -4.73 118.16 111.46 2kmi n LYS 4 Ca -0.01 -4.78 -0.41 0.00 -0.00 0.00 0.00 58.31 53.11 2kmi n LYS 4 Cb 0.49 -2.25 0.02 0.00 -0.00 0.00 0.00 35.03 33.29 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 0.25 7.07 -4.69 -5.58 -0.08 -1.25 -4.94 116.55 107.34 2kmi n ASP 5 Ca 0.31 -3.64 -0.29 0.00 -1.51 0.00 0.00 54.79 49.66 2kmi n ASP 5 Cb 0.40 -1.16 0.14 0.00 2.34 0.00 0.00 41.12 42.84 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmi s ILE 6 N -4.06 1.98 -0.50 5.18 -4.36 -1.26 -4.73 121.20 113.45 2kmi s ILE 6 Ca 0.38 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.75 2kmi s ILE 6 Cb 0.17 -2.77 0.21 0.00 1.25 0.00 0.00 42.46 41.32 2kmi s ILE 6 CO -0.09 0.00 2.32 -1.14 0.24 0.00 0.00 174.94 176.27 2kmi n ARG 7 N -3.79 2.30 -2.08 0.37 3.00 -1.26 -4.76 116.66 110.44 2kmi n ARG 7 Ca 0.08 -2.40 -0.18 0.00 -0.00 0.00 0.00 57.85 55.34 2kmi n ARG 7 Cb 0.59 -2.01 -0.04 0.00 0.00 0.00 0.00 32.46 31.00 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 0.23 -5.16 -2.90 6.15 8.00 -1.26 -3.65 116.55 117.95 2kmi n ASP 8 Ca 0.46 0.20 -0.01 0.00 0.71 0.00 0.00 54.79 56.15 2kmi n ASP 8 Cb 0.53 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 37.21 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kmi n TYR 9 N -3.22 -2.61 0.04 1.24 4.01 -1.26 -4.97 117.16 110.38 2kmi n TYR 9 Ca -0.21 1.15 0.00 0.00 -0.16 0.00 0.00 57.90 58.69 2kmi n TYR 9 Cb 0.64 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 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 0.86 -0.60 -2.05 7.72 2.85 -1.24 -5.02 115.26 117.78 2kmi n ASN 10 Ca 0.00 0.14 -0.01 0.00 -0.11 0.00 0.00 54.58 54.60 2kmi n ASN 10 Cb 0.20 0.91 0.04 0.00 1.24 0.00 0.00 39.78 42.17 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2kmi n ASP 11 N -2.66 -0.67 0.19 1.20 5.75 -1.26 -4.99 116.55 114.11 2kmi n ASP 11 Ca 0.00 -1.52 0.04 0.00 -0.01 0.00 0.00 54.79 53.30 2kmi n ASP 11 Cb 0.00 0.37 0.36 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.53 1.15 -1.01 2.12 0.00 -1.96 -3.01 119.26 117.09 2kmi h ALA 12 Ca -0.22 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.37 2kmi h ALA 12 Cb 1.13 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2kmi h ALA 12 CO -0.09 0.49 0.66 0.38 0.00 0.00 0.00 179.25 180.69 2kmi h ASP 13 N 0.00 1.12 -0.17 0.00 2.03 -1.94 -0.79 116.42 116.67 2kmi h ASP 13 Ca -0.00 -0.02 0.05 0.00 -0.73 0.00 0.00 57.03 56.33 2kmi h ASP 13 Cb 0.79 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.02 2kmi h ASP 13 CO 0.05 0.78 0.23 -0.03 -1.03 0.00 0.00 179.24 179.24 2kmi h MET 14 N 1.30 0.00 -0.22 4.15 4.05 -1.76 -0.39 114.93 122.07 2kmi h MET 14 Ca 0.39 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.88 2kmi h MET 14 Cb -0.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2kmi h MET 14 CO -0.11 0.00 0.27 0.00 0.23 0.00 0.00 176.91 177.30 2kmi h ALA 15 N 1.70 1.80 -0.87 0.39 0.00 -1.28 -1.05 119.26 119.95 2kmi h ALA 15 Ca 0.08 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.20 2kmi h ALA 15 Cb 0.54 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2kmi h ALA 15 CO -0.00 -0.39 0.60 -0.09 0.00 0.00 0.00 179.25 179.37 2kmi h ARG 16 N 0.00 0.24 -0.41 0.00 2.43 -1.23 0.25 114.38 115.66 2kmi h ARG 16 Ca 0.10 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 2kmi h ARG 16 Cb 0.65 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2kmi h ARG 16 CO -0.00 0.16 0.37 1.37 -1.51 0.00 0.00 179.97 180.36 2kmi h LEU 17 N 0.25 0.00 -1.22 3.80 8.10 -1.42 -0.45 115.31 124.38 2kmi h LEU 17 Ca 0.44 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.58 2kmi h LEU 17 Cb 1.34 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 41.48 2kmi h LEU 17 CO -0.11 0.00 0.59 0.25 -4.11 0.00 0.00 178.44 175.06 2kmi h LEU 18 N 0.00 0.71 -1.97 0.17 6.46 -0.71 0.70 115.31 120.68 2kmi h LEU 18 Ca 0.19 0.05 0.24 0.00 -0.12 0.00 0.00 57.88 58.24 2kmi h LEU 18 Cb 0.94 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 2kmi h LEU 18 CO -0.00 0.35 0.60 -0.08 -0.62 0.00 0.00 178.44 178.68 2kmi h GLU 19 N 0.75 0.03 -0.89 1.25 4.81 -1.25 0.89 114.58 120.16 2kmi h GLU 19 Ca 0.47 -0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.91 2kmi h GLU 19 Cb 0.71 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 2kmi h GLU 19 CO -0.23 0.02 0.60 0.37 -0.73 0.00 0.00 179.01 179.03 2kmi h GLN 20 N 0.03 0.33 -1.01 1.92 4.15 -0.95 0.68 115.11 120.26 2kmi h GLN 20 Ca 0.40 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.92 2kmi h GLN 20 Cb 1.55 -0.08 -0.08 0.00 0.21 0.00 0.00 27.48 29.08 2kmi h GLN 20 CO -0.02 0.22 0.64 2.35 -1.93 0.00 0.00 178.83 180.09 2kmi h TRP 21 N 0.34 1.15 0.67 3.99 7.01 -0.98 -2.86 115.95 125.27 2kmi h TRP 21 Ca 0.46 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.46 2kmi h TRP 21 Cb 1.23 -0.37 0.01 0.00 -2.10 0.00 0.00 29.16 27.93 2kmi h TRP 21 CO -0.00 0.47 -0.32 0.93 -2.79 0.00 0.00 178.44 176.72 2kmi h GLU 22 N 1.01 -0.87 -2.21 2.65 3.07 -1.03 -3.46 114.58 113.73 2kmi h GLU 22 Ca 0.49 0.06 -0.35 0.00 -0.50 0.00 0.00 59.36 59.06 2kmi h GLU 22 Cb 0.47 0.20 -0.08 0.00 -0.84 0.00 0.00 28.75 28.50 2kmi h GLU 22 CO -0.26 -0.58 -0.38 1.17 -1.40 0.00 0.00 179.01 177.56 2kmi n LYS 23 N -5.37 -1.63 0.20 2.33 4.81 -1.08 -4.82 118.16 112.59 2kmi n LYS 23 Ca -0.11 0.94 0.07 0.00 -0.87 0.00 0.00 58.31 58.34 2kmi n LYS 23 Cb 0.36 -5.41 0.41 0.00 0.02 0.00 0.00 35.03 30.41 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 -6.31 3.14 5.19 -1.84 -3.47 116.42 113.12 2kmi h ASP 24 Ca -0.38 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.55 2kmi h ASP 24 Cb 1.21 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.69 2kmi h ASP 24 CO 0.50 0.31 -0.79 -0.67 -3.12 0.00 0.00 179.24 175.47 2kmi n ASP 25 N -3.56 -3.44 0.19 6.45 2.03 -1.25 -4.82 116.55 112.15 2kmi n ASP 25 Ca -0.00 -0.83 0.17 0.00 0.52 0.00 0.00 54.79 54.65 2kmi n ASP 25 Cb 0.45 -3.74 0.81 0.00 -0.72 0.00 0.00 41.12 37.91 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 -1.96 0.00 -5.15 1.67 3.58 -1.82 -3.42 116.42 109.31 2kmi h ASP 26 Ca -0.59 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.51 2kmi h ASP 26 Cb 1.37 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.48 2kmi h ASP 26 CO 0.65 0.00 0.06 2.30 -2.88 0.00 0.00 179.24 179.37 2kmi n ILE 27 N -3.86 0.00 0.00 2.25 -6.64 -1.26 -5.07 119.36 104.77 2kmi n ILE 27 Ca 0.02 -1.23 0.00 0.00 -1.77 0.00 0.00 62.75 59.77 2kmi n ILE 27 Cb 0.35 -0.94 0.00 0.00 -1.44 0.00 0.00 39.64 37.61 2kmi n ILE 27 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 2kmi n GLU 28 N -2.30 0.00 -3.47 6.28 0.28 -1.26 -5.12 120.64 115.06 2kmi n GLU 28 Ca 0.12 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.98 2kmi n GLU 28 Cb 0.44 -0.51 -0.04 0.00 1.43 0.00 0.00 31.44 32.76 2kmi n GLU 28 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kmi s GLU 29 N -1.99 1.18 0.00 3.44 -1.05 -1.26 -5.06 118.70 113.96 2kmi s GLU 29 Ca 0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2kmi s GLU 29 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2kmi s GLU 29 CO 0.00 -0.46 0.87 0.41 0.95 0.00 0.00 175.26 177.03 2kmi n GLY 30 N 0.17 0.48 3.70 -3.83 0.00 -1.25 -4.63 105.19 99.83 2kmi n GLY 30 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.75 7.00 0.27 1.61 -4.77 -1.26 -3.18 116.67 115.59 2kmi s ASP 31 Ca 0.00 1.21 0.12 0.00 -3.30 0.00 0.00 52.55 50.58 2kmi s ASP 31 Cb 0.00 -2.43 -0.05 0.00 -1.09 0.00 0.00 42.92 39.35 2kmi s ASP 31 CO 0.00 -0.19 -0.18 -0.76 0.70 0.00 0.00 175.17 174.74 2kmi s LEU 32 N 1.14 2.66 -1.04 2.11 2.01 -1.26 -5.05 118.68 119.25 2kmi s LEU 32 Ca 0.39 -0.95 -0.24 0.00 0.01 0.00 0.00 54.13 53.34 2kmi s LEU 32 Cb -0.18 -1.20 -0.07 0.00 0.01 0.00 0.00 46.19 44.75 2kmi s LEU 32 CO 0.18 0.04 1.94 -2.16 1.01 0.00 0.00 176.35 177.36 2kmi s PRO 33 N -3.43 2.52 0.25 1.29 0.04 -1.26 -4.95 135.00 129.46 2kmi s PRO 33 Ca 0.29 -0.72 -0.19 0.00 0.04 0.00 0.00 61.00 60.43 2kmi s PRO 33 Cb -0.06 -5.15 -0.08 0.00 0.04 0.00 0.00 34.50 29.25 2kmi s PRO 33 CO 0.15 -3.68 0.73 -2.00 0.04 0.00 0.00 177.00 172.24 2kmi s GLU 34 N 6.75 4.20 0.26 4.56 2.56 -1.26 -5.08 118.70 130.69 2kmi s GLU 34 Ca 0.69 0.83 0.03 0.00 0.00 0.00 0.00 54.97 56.53 2kmi s GLU 34 Cb -0.04 -2.77 -0.01 0.00 2.00 0.00 0.00 34.13 33.31 2kmi s GLU 34 CO 0.06 0.34 0.12 1.58 -0.56 0.00 0.00 175.26 176.80 2kmi n HIS 35 N 0.47 -0.06 -1.89 5.30 -0.00 -1.26 -5.14 115.22 112.63 2kmi n HIS 35 Ca -0.01 -1.79 -0.34 0.00 0.46 0.00 0.00 57.72 56.04 2kmi n HIS 35 Cb 0.52 0.05 0.04 0.00 -0.12 0.00 0.00 29.99 30.47 2kmi n HIS 35 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2kmi s LYS 36 N -3.01 2.86 0.29 1.57 -2.85 -1.26 -4.91 119.74 112.43 2kmi s LYS 36 Ca 0.17 1.62 0.11 0.00 -1.00 0.00 0.00 55.97 56.88 2kmi s LYS 36 Cb 0.01 -1.94 -0.05 0.00 -2.06 0.00 0.00 37.83 33.79 2kmi s LYS 36 CO 0.12 -1.24 -0.16 1.03 0.10 0.00 0.00 175.35 175.20 2kmi s ARG 37 N -3.67 1.78 0.66 1.78 0.52 -1.26 -5.06 118.95 113.70 2kmi s ARG 37 Ca 0.72 -1.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.04 2kmi s ARG 37 Cb -0.25 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.40 2kmi s ARG 37 CO 0.36 0.31 1.11 -1.25 0.02 0.00 0.00 175.30 175.86 2kmi s PRO 38 N -3.55 2.79 -0.31 3.54 0.04 -1.26 -4.69 135.00 131.56 2kmi s PRO 38 Ca 0.31 1.39 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 2kmi s PRO 38 Cb -0.04 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2kmi s PRO 38 CO 0.16 -1.26 0.06 -1.54 0.04 0.00 0.00 177.00 174.46 2kmi s SER 39 N -2.60 5.07 -0.25 6.66 1.04 -1.26 -4.40 113.70 117.96 2kmi s SER 39 Ca 0.67 -0.99 -0.37 0.00 0.48 0.00 0.00 55.95 55.74 2kmi s SER 39 Cb -0.20 -1.83 0.15 0.00 0.10 0.00 0.00 66.02 64.24 2kmi s SER 39 CO 0.42 -0.25 1.33 0.00 0.98 0.00 0.00 173.24 175.72 2kmi s ALA 40 N 1.40 -2.18 -0.12 5.32 0.00 -1.26 -5.06 121.76 119.87 2kmi s ALA 40 Ca -0.01 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 2kmi s ALA 40 Cb -0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2kmi s ALA 40 CO 0.01 -0.58 1.54 -1.25 0.00 0.00 0.00 175.76 175.48 2kmi s PRO 41 N -2.15 4.12 -0.12 0.00 0.04 -1.26 -4.42 135.00 131.21 2kmi s PRO 41 Ca 0.11 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2kmi s PRO 41 Cb -0.01 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.62 2kmi s PRO 41 CO -0.03 -0.90 -0.16 -1.50 0.04 0.00 0.00 177.00 174.46 2kmi s ILE 42 N 4.11 1.58 0.31 0.56 1.10 -1.23 -4.99 121.20 122.65 2kmi s ILE 42 Ca 0.68 -0.67 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 2kmi s ILE 42 Cb -0.28 -1.45 -0.06 0.00 0.15 0.00 0.00 42.46 40.82 2kmi s ILE 42 CO 0.25 0.46 0.05 1.51 -2.11 0.00 0.00 174.94 175.10 2kmi s ASP 43 N 1.13 2.27 0.00 4.50 1.47 -1.26 -3.95 116.67 120.84 2kmi s ASP 43 Ca -0.03 -1.36 0.12 0.00 1.18 0.00 0.00 52.55 52.46 2kmi s ASP 43 Cb -0.14 -0.06 -0.21 0.00 -0.34 0.00 0.00 42.92 42.17 2kmi s ASP 43 CO -0.05 -0.60 0.80 0.15 0.68 0.00 0.00 175.17 176.15 2kmi h PHE 44 N 2.16 0.00 0.00 2.11 3.57 -1.79 -3.44 116.94 119.55 2kmi h PHE 44 Ca -0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2kmi h PHE 44 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2kmi h PHE 44 CO 0.57 0.93 0.00 0.45 -2.23 0.00 0.00 178.31 178.03 2kmi n SER 45 N -3.07 0.00 -3.17 0.41 2.88 -1.26 -5.11 113.62 104.29 2kmi n SER 45 Ca -0.13 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.45 2kmi n SER 45 Cb 1.00 -0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 64.30 2kmi n SER 45 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kmi s LYS 46 N -0.58 0.02 1.36 -1.46 1.02 -1.26 -5.17 119.74 113.67 2kmi s LYS 46 Ca 0.00 0.05 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 2kmi s LYS 46 Cb 0.00 0.03 0.34 0.00 -0.52 0.00 0.00 37.83 37.68 2kmi s LYS 46 CO 0.00 -0.01 0.76 1.47 -0.92 0.00 0.00 175.35 176.65 2kmi n LEU 47 N 4.54 0.00 0.00 3.17 -0.00 -1.26 -4.95 117.00 118.50 2kmi n LEU 47 Ca -0.06 -0.77 0.00 0.00 -0.00 0.00 0.00 56.01 55.18 2kmi n LEU 47 Cb 0.56 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.04 2kmi n LEU 47 CO -0.05 -2.76 0.00 0.47 -0.00 0.00 0.00 177.39 175.05 2kmi n ASP 48 N -4.71 -0.00 -0.03 1.45 8.00 -1.26 -5.00 116.55 115.00 2kmi n ASP 48 Ca 0.12 0.45 -0.13 0.00 0.71 0.00 0.00 54.79 55.94 2kmi n ASP 48 Cb 0.53 0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 41.99 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kmi h PRO 49 N 0.00 0.15 -4.13 -0.24 0.13 -2.03 -3.50 132.00 122.39 2kmi h PRO 49 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2kmi h PRO 49 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2kmi h PRO 49 CO 0.00 0.59 -0.80 0.41 -0.23 0.00 0.00 178.00 177.97 2kmi n GLY 50 N 0.21 -5.14 3.39 1.56 0.00 -1.26 -4.93 105.19 99.01 2kmi n GLY 50 Ca -0.07 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2kmi n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 51 N 1.41 -0.31 -2.26 1.61 4.76 -1.26 -4.92 118.16 117.19 2kmi n LYS 51 Ca -0.03 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 54.99 2kmi n LYS 51 Cb 0.04 -1.82 -0.01 0.00 -1.84 0.00 0.00 35.03 31.40 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmi s PRO 52 N -3.56 3.81 0.04 1.97 0.04 -1.26 -4.97 135.00 131.07 2kmi s PRO 52 Ca 0.56 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 2kmi s PRO 52 Cb -0.21 -2.46 -0.34 0.00 0.04 0.00 0.00 34.50 31.53 2kmi s PRO 52 CO 0.68 -0.51 1.03 1.49 0.04 0.00 0.00 177.00 179.73 2kmi h GLU 53 N 2.17 0.49 -0.37 4.56 4.81 -1.97 -3.30 114.58 120.96 2kmi h GLU 53 Ca -0.49 -0.83 0.08 0.00 -0.13 0.00 0.00 59.36 57.98 2kmi h GLU 53 Cb 1.24 0.31 -0.07 0.00 0.63 0.00 0.00 28.75 30.86 2kmi h GLU 53 CO 0.61 1.40 -0.11 1.03 -0.73 0.00 0.00 179.01 181.20 2kmi h SER 54 N 0.13 -0.41 -0.97 1.04 0.87 -2.00 -0.75 113.55 111.46 2kmi h SER 54 Ca -0.23 0.12 0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2kmi h SER 54 Cb 2.13 0.25 -0.08 0.00 -0.44 0.00 0.00 62.40 64.27 2kmi h SER 54 CO 0.26 -0.15 0.61 0.40 -0.53 0.00 0.00 176.83 177.42 2kmi h ILE 55 N -0.03 0.96 -0.64 2.23 1.08 -1.94 -0.57 117.51 118.59 2kmi h ILE 55 Ca 0.18 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2kmi h ILE 55 Cb 0.30 -0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.89 2kmi h ILE 55 CO -0.40 0.18 0.41 -0.07 -0.69 0.00 0.00 178.15 177.59 2kmi h LEU 56 N 1.00 0.75 0.07 1.44 3.38 -1.23 -0.65 115.31 120.07 2kmi h LEU 56 Ca 0.46 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 2kmi h LEU 56 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kmi h LEU 56 CO -0.24 0.55 -0.03 0.11 0.09 0.00 0.00 178.44 178.92 2kmi h LYS 57 N 0.88 -0.09 0.38 1.13 1.57 -0.52 -3.22 116.57 116.70 2kmi h LYS 57 Ca 0.23 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2kmi h LYS 57 Cb -0.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2kmi h LYS 57 CO -0.05 0.21 -0.20 1.98 -0.57 0.00 0.00 179.45 180.82 2kmi h MET 58 N -0.40 -0.52 -4.59 3.15 4.05 -1.16 -3.41 114.93 112.05 2kmi h MET 58 Ca -0.01 0.04 -0.59 0.00 -0.28 0.00 0.00 59.70 58.86 2kmi h MET 58 Cb 0.34 0.12 -0.36 0.00 -0.80 0.00 0.00 31.60 30.90 2kmi h MET 58 CO 0.02 -0.35 -0.83 -0.08 0.23 0.00 0.00 176.91 175.90 2kmi s THR 59 N -6.11 1.47 0.15 -0.77 -1.32 -0.27 -5.10 115.64 103.69 2kmi s THR 59 Ca -0.16 -0.57 -0.34 0.00 -1.21 0.00 0.00 61.69 59.41 2kmi s THR 59 Cb 0.05 -1.40 -0.15 0.00 -1.51 0.00 0.00 72.50 69.49 2kmi s THR 59 CO 0.64 0.44 1.42 0.29 -2.21 0.00 0.00 174.62 175.20 2kmi n LYS 60 N 4.80 1.66 -0.91 7.08 5.02 -1.22 -4.17 118.16 130.41 2kmi n LYS 60 Ca -0.16 0.60 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 2kmi n LYS 60 Cb 0.50 -2.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.26 2kmi n LYS 60 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kmi n LYS 61 N 2.71 0.16 -3.80 1.97 3.00 -1.26 -4.99 118.16 115.95 2kmi n LYS 61 Ca 0.17 -1.65 -0.33 0.00 -0.00 0.00 0.00 58.31 56.50 2kmi n LYS 61 Cb 0.25 -0.40 -0.11 0.00 0.00 0.00 0.00 35.03 34.77 2kmi n LYS 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kmi s GLY 62 N -1.66 2.64 0.03 3.14 0.00 -1.26 -4.52 107.32 105.69 2kmi s GLY 62 Ca 0.19 -3.44 -0.15 0.00 0.00 0.00 0.00 44.72 41.32 2kmi s GLY 62 CO -0.08 1.09 0.32 0.54 0.00 0.00 0.00 173.10 174.97 2kmi s LYS 63 N -0.53 0.79 0.21 2.90 3.01 -1.18 -3.48 119.74 121.45 2kmi s LYS 63 Ca 0.20 -0.42 0.07 0.00 -1.01 0.00 0.00 55.97 54.81 2kmi s LYS 63 Cb -0.18 0.35 -0.04 0.00 -1.01 0.00 0.00 37.83 36.95 2kmi s LYS 63 CO -0.06 -0.25 0.11 0.95 0.51 0.00 0.00 175.35 176.61 2kmi s THR 64 N -2.27 4.18 -0.05 2.17 -4.23 -1.09 -4.34 115.64 110.01 2kmi s THR 64 Ca -0.07 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2kmi s THR 64 Cb -0.02 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.65 2kmi s THR 64 CO -0.01 -0.22 -0.13 -1.48 -0.54 0.00 0.00 174.62 172.24 2kmi s LEU 65 N -3.37 1.73 -0.30 4.79 2.34 -1.26 -4.34 118.68 118.26 2kmi s LEU 65 Ca 0.31 -0.29 -0.09 0.00 0.06 0.00 0.00 54.13 54.12 2kmi s LEU 65 Cb -0.09 -0.81 0.17 0.00 -0.56 0.00 0.00 46.19 44.90 2kmi s LEU 65 CO 0.22 0.07 0.80 -0.32 -1.06 0.00 0.00 176.35 176.06 2kmi s MET 66 N 0.44 0.43 -0.20 1.48 1.75 -1.19 -3.79 119.30 118.22 2kmi s MET 66 Ca -0.10 0.91 -0.11 0.00 -1.25 0.00 0.00 55.69 55.13 2kmi s MET 66 Cb -0.14 0.53 0.06 0.00 2.84 0.00 0.00 34.83 38.13 2kmi s MET 66 CO 0.03 -0.31 0.48 1.41 -0.65 0.00 0.00 175.02 175.98 2kmi s MET 67 N 2.78 0.48 -0.11 4.11 0.00 -1.18 -1.17 119.30 124.21 2kmi s MET 67 Ca 0.04 0.88 -0.01 0.00 0.00 0.00 0.00 55.69 56.61 2kmi s MET 67 Cb -0.11 0.04 0.03 0.00 0.00 0.00 0.00 34.83 34.78 2kmi s MET 67 CO -0.18 -0.15 -0.07 -0.06 0.00 0.00 0.00 175.02 174.57 2kmi s PHE 68 N 1.36 1.42 0.00 4.11 0.08 -0.92 -3.01 117.98 121.03 2kmi s PHE 68 Ca -0.09 -0.71 -0.08 0.00 0.12 0.00 0.00 56.93 56.18 2kmi s PHE 68 Cb -0.07 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2kmi s PHE 68 CO -0.13 -0.50 0.15 0.08 -0.10 0.00 0.00 175.22 174.71 2kmi s VAL 69 N 1.73 0.08 -0.44 -0.44 1.01 -0.87 -0.07 120.40 121.40 2kmi s VAL 69 Ca 0.05 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.36 2kmi s VAL 69 Cb -0.13 -0.48 0.19 0.00 0.00 0.00 0.00 36.38 35.97 2kmi s VAL 69 CO -0.08 -0.39 0.80 0.28 0.00 0.00 0.00 175.10 175.72 2kmi s THR 70 N -1.48 -0.77 -0.16 3.92 -1.32 -1.03 -1.27 115.64 113.53 2kmi s THR 70 Ca -0.14 -0.48 -0.34 0.00 -1.21 0.00 0.00 61.69 59.52 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 0.01 0.00 1.23 0.54 -2.21 0.00 0.00 174.62 174.19 2kmi s VAL 71 N 1.27 0.00 -0.24 5.08 0.11 -1.11 -0.80 120.40 124.71 2kmi s VAL 71 Ca 0.23 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 2kmi s VAL 71 Cb 0.02 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 2kmi s VAL 71 CO -0.08 0.00 0.92 -0.94 -3.33 0.00 0.00 175.10 171.67 2kmi s SER 72 N -2.34 6.94 0.00 3.54 1.04 -1.26 -3.25 113.70 118.36 2kmi s SER 72 Ca 0.10 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2kmi s SER 72 Cb 0.00 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2kmi s SER 72 CO -0.04 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2kmi n GLY 73 N 3.59 0.57 2.75 7.32 0.00 -1.24 -3.95 105.19 114.23 2kmi n GLY 73 Ca 0.08 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.10 -4.56 1.61 2.85 -1.07 -4.33 115.26 106.66 2kmi n ASN 74 Ca 0.00 -3.12 -0.30 0.00 -0.11 0.00 0.00 54.58 51.04 2kmi n ASN 74 Cb 0.00 1.79 -0.04 0.00 1.24 0.00 0.00 39.78 42.76 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kmi s PRO 75 N 0.76 2.58 -0.30 1.20 0.04 -1.26 -3.80 135.00 134.22 2kmi s PRO 75 Ca 0.31 -0.02 0.15 0.00 0.04 0.00 0.00 61.00 61.48 2kmi s PRO 75 Cb 0.14 -4.86 0.42 0.00 0.04 0.00 0.00 34.50 30.24 2kmi s PRO 75 CO -0.17 -3.18 1.40 0.25 0.04 0.00 0.00 177.00 175.34 2kmi n THR 76 N 7.67 0.34 -0.22 1.26 -2.24 -1.26 -4.97 114.28 114.86 2kmi n THR 76 Ca 0.34 -1.46 0.02 0.00 -2.27 0.00 0.00 64.05 60.69 2kmi n THR 76 Cb 0.48 1.06 0.14 0.00 -2.10 0.00 0.00 70.33 69.91 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 1.38 0.35 0.20 -0.78 4.11 -1.88 0.17 114.58 118.12 2kmi h GLU 77 Ca -0.37 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.05 2kmi h GLU 77 Cb 1.31 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2kmi h GLU 77 CO -0.09 0.23 -0.52 0.87 0.07 0.00 0.00 179.01 179.57 2kmi h LYS 78 N 0.36 -0.77 -0.34 1.06 6.56 -1.99 0.51 116.57 121.95 2kmi h LYS 78 Ca 0.36 0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 2kmi h LYS 78 Cb 0.52 0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.34 2kmi h LYS 78 CO -0.39 -0.52 0.17 1.49 -2.06 0.00 0.00 179.45 178.15 2kmi h GLU 79 N -0.80 0.47 -0.52 3.15 4.57 -1.86 -1.97 114.58 117.61 2kmi h GLU 79 Ca -0.02 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2kmi h GLU 79 Cb 0.78 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 2kmi h GLU 79 CO -0.24 0.36 0.18 1.15 -1.18 0.00 0.00 179.01 179.28 2kmi h THR 80 N 0.47 1.20 -0.27 0.32 2.02 0.30 -2.82 112.91 114.14 2kmi h THR 80 Ca 0.12 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 2kmi h THR 80 Cb 0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2kmi h THR 80 CO -0.02 0.26 0.14 -0.08 0.37 0.00 0.00 175.52 176.19 2kmi h GLU 81 N 0.75 0.38 -0.06 6.66 4.81 -0.14 -1.87 114.58 125.12 2kmi h GLU 81 Ca 0.18 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 2kmi h GLU 81 Cb 0.20 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2kmi h GLU 81 CO -0.01 0.35 0.18 1.49 -0.73 0.00 0.00 179.01 180.29 2kmi h GLU 82 N 0.31 0.00 -0.75 1.92 4.57 -1.45 -0.79 114.58 118.40 2kmi h GLU 82 Ca 0.09 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2kmi h GLU 82 Cb 0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2kmi h GLU 82 CO -0.01 0.00 0.24 0.82 -1.18 0.00 0.00 179.01 178.88 2kmi h ILE 83 N 0.00 1.26 -0.92 2.32 1.08 -1.27 -2.54 117.51 117.45 2kmi h ILE 83 Ca 0.03 -0.90 0.24 0.00 -0.39 0.00 0.00 64.86 63.83 2kmi h ILE 83 Cb 0.39 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 2kmi h ILE 83 CO -0.00 0.36 0.63 0.00 -0.69 0.00 0.00 178.15 178.44 2kmi h THR 84 N 1.11 0.60 0.26 -0.27 1.03 -1.21 -1.57 112.91 112.85 2kmi h THR 84 Ca 0.24 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.55 2kmi h THR 84 Cb 0.30 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.74 2kmi h THR 84 CO -0.01 0.04 -0.12 0.28 -0.01 0.00 0.00 175.52 175.70 2kmi h SER 85 N 0.22 -0.29 -0.81 0.00 0.02 -1.59 -3.13 113.55 107.97 2kmi h SER 85 Ca 0.46 -0.24 0.24 0.00 -0.84 0.00 0.00 61.79 61.41 2kmi h SER 85 Cb 1.45 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 64.03 2kmi h SER 85 CO -0.11 0.17 0.59 -0.07 -1.14 0.00 0.00 176.83 176.26 2kmi h LEU 86 N -0.85 0.00 -0.88 5.07 3.38 -1.30 0.16 115.31 120.90 2kmi h LEU 86 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.06 2kmi h LEU 86 Cb 0.51 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.18 2kmi h LEU 86 CO 0.06 0.00 0.50 -0.25 0.09 0.00 0.00 178.44 178.84 2kmi h TRP 87 N 0.00 0.89 -0.99 1.13 2.91 -1.30 -0.60 115.95 118.00 2kmi h TRP 87 Ca 0.39 0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.61 2kmi h TRP 87 Cb 1.55 -0.26 -0.10 0.00 -0.51 0.00 0.00 29.16 29.83 2kmi h TRP 87 CO -0.00 0.29 0.59 0.37 -1.03 0.00 0.00 178.44 178.66 2kmi h GLN 88 N 0.75 0.76 -0.65 2.65 5.75 -1.06 -0.84 115.11 122.47 2kmi h GLN 88 Ca 0.46 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.91 2kmi h GLN 88 Cb 0.55 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 2kmi h GLN 88 CO -0.31 0.50 0.38 0.78 -2.65 0.00 0.00 178.83 177.54 2kmi h GLY 89 N 0.78 0.94 0.96 2.39 0.00 -1.23 -2.11 103.07 104.81 2kmi h GLY 89 Ca 0.55 -0.40 0.15 0.00 0.00 0.00 0.00 47.33 47.63 2kmi h GLY 89 CO -0.36 0.39 0.38 1.48 0.00 0.00 0.00 176.54 178.42 2kmi h SER 90 N 0.88 0.00 -0.66 0.19 4.64 -1.10 -0.80 113.55 116.70 2kmi h SER 90 Ca 0.23 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.59 2kmi h SER 90 Cb -0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 2kmi h SER 90 CO -0.04 0.00 0.40 0.25 -0.87 0.00 0.00 176.83 176.57 2kmi h LEU 91 N 0.00 0.64 -1.56 5.97 6.46 -1.27 -1.29 115.31 124.25 2kmi h LEU 91 Ca 0.25 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2kmi h LEU 91 Cb 1.00 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 2kmi h LEU 91 CO -0.00 0.44 -0.12 0.15 -0.62 0.00 0.00 178.44 178.28 2kmi h PHE 92 N 0.77 0.14 0.70 1.25 3.04 -1.23 -3.14 116.94 118.46 2kmi h PHE 92 Ca 0.27 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 2kmi h PHE 92 Cb 0.06 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.54 2kmi h PHE 92 CO -0.06 0.26 -0.33 -0.97 -2.02 0.00 0.00 178.31 175.19 2kmi h ASN 93 N 0.13 -0.79 0.00 0.41 -0.73 -1.21 -3.44 115.58 109.95 2kmi h ASN 93 Ca 0.03 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2kmi h ASN 93 Cb 0.30 0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.09 2kmi h ASN 93 CO 0.02 -0.41 0.00 0.00 -0.37 0.00 0.00 177.43 176.67 2kmi n ALA 94 N -2.71 2.16 -2.65 1.57 0.00 -0.90 -2.36 120.51 115.62 2kmi n ALA 94 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 2kmi n ALA 94 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.54 -1.02 -2.57 0.00 0.23 -1.25 -4.90 115.26 104.20 2kmi n ASN 95 Ca 0.00 -1.52 -0.06 0.00 -0.53 0.00 0.00 54.58 52.47 2kmi n ASN 95 Cb 0.00 0.63 -0.05 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.28 -4.45 -3.21 -2.53 4.01 -1.25 -4.94 117.16 106.06 2kmi n TYR 96 Ca -0.02 2.60 -0.32 0.00 -0.16 0.00 0.00 57.90 60.00 2kmi n TYR 96 Cb 0.73 -3.90 -0.04 0.00 -0.31 0.00 0.00 39.34 35.81 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 1.68 4.81 -4.13 7.72 8.00 -1.25 -5.03 116.55 128.36 2kmi n ASP 97 Ca -0.43 -3.48 -0.21 0.00 0.71 0.00 0.00 54.79 51.39 2kmi n ASP 97 Cb 0.66 -0.86 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 2kmi n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kmi s VAL 98 N -2.90 1.09 -0.00 2.53 1.01 -1.26 -1.66 120.40 119.21 2kmi s VAL 98 Ca 0.38 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2kmi s VAL 98 Cb 0.14 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2kmi s VAL 98 CO 0.00 0.10 -0.02 -1.58 0.00 0.00 0.00 175.10 173.61 2kmi s GLN 99 N -0.87 0.15 0.06 2.72 0.74 0.41 -4.87 119.66 118.00 2kmi s GLN 99 Ca 0.03 -0.06 0.05 0.00 0.05 0.00 0.00 55.36 55.43 2kmi s GLN 99 Cb -0.07 -0.15 -0.03 0.00 1.10 0.00 0.00 33.01 33.86 2kmi s GLN 99 CO 0.01 0.04 -0.15 -0.98 -0.55 0.00 0.00 175.29 173.66 2kmi s ARG 100 N -0.03 0.89 -0.07 1.67 1.04 -1.26 -1.98 118.95 119.21 2kmi s ARG 100 Ca 0.01 -0.90 -0.06 0.00 -1.04 0.00 0.00 55.73 53.73 2kmi s ARG 100 Cb -0.01 -0.92 0.02 0.00 -2.04 0.00 0.00 34.95 32.00 2kmi s ARG 100 CO -0.00 0.21 0.18 0.12 -0.04 0.00 0.00 175.30 175.77 2kmi s PHE 101 N -1.11 -0.20 -0.08 5.89 5.36 -1.09 -4.41 117.98 122.34 2kmi s PHE 101 Ca -0.00 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.46 2kmi s PHE 101 Cb -0.09 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 2kmi s PHE 101 CO 0.02 -0.10 -0.05 0.42 -1.46 0.00 0.00 175.22 174.05 2kmi s ILE 102 N 0.17 0.74 -0.14 3.12 1.01 -1.26 -1.73 121.20 123.11 2kmi s ILE 102 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2kmi s ILE 102 Cb -0.02 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.72 2kmi s ILE 102 CO -0.00 0.30 0.34 0.54 0.00 0.00 0.00 174.94 176.12 2kmi s VAL 103 N 1.45 -0.03 0.00 2.92 0.11 -1.16 -5.06 120.40 118.63 2kmi s VAL 103 Ca -0.02 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2kmi s VAL 103 Cb -0.13 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2kmi s VAL 103 CO -0.04 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 2kmi n GLY 104 N 4.21 1.45 0.94 6.54 0.00 -1.26 -3.10 105.19 113.97 2kmi n GLY 104 Ca -0.24 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 4.36 3.07 -4.23 1.61 7.64 -1.26 -4.94 113.62 119.87 2kmi n SER 105 Ca 0.00 -1.90 -0.26 0.00 1.01 0.00 0.00 58.87 57.72 2kmi n SER 105 Cb 0.00 -0.17 -0.15 0.00 -1.01 0.00 0.00 64.21 62.88 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kmi s ASP 106 N -1.39 2.42 0.10 6.43 -4.77 -1.18 -4.38 116.67 113.90 2kmi s ASP 106 Ca 0.31 -0.45 0.08 0.00 -3.30 0.00 0.00 52.55 49.19 2kmi s ASP 106 Cb 0.19 -0.23 -0.03 0.00 -1.09 0.00 0.00 42.92 41.75 2kmi s ASP 106 CO 0.26 0.20 -0.21 0.00 0.70 0.00 0.00 175.17 176.12 2kmi s ARG 107 N -0.86 1.12 0.06 2.11 1.70 -1.20 -2.98 118.95 118.90 2kmi s ARG 107 Ca 0.08 -1.16 0.09 0.00 -0.47 0.00 0.00 55.73 54.27 2kmi s ARG 107 Cb -0.08 -1.39 -0.03 0.00 -0.57 0.00 0.00 34.95 32.88 2kmi s ARG 107 CO 0.01 0.32 -0.26 0.00 -1.08 0.00 0.00 175.30 174.29 2kmi s ALA 108 N -1.16 2.19 -0.06 7.88 0.00 -0.71 -2.75 121.76 127.16 2kmi s ALA 108 Ca 0.06 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2kmi s ALA 108 Cb -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2kmi s ALA 108 CO 0.04 0.51 -0.11 -1.50 0.00 0.00 0.00 175.76 174.70 2kmi s ILE 109 N -0.85 1.03 -0.05 0.00 1.10 -0.40 -2.67 121.20 119.36 2kmi s ILE 109 Ca 0.11 -0.43 -0.02 0.00 -0.51 0.00 0.00 60.65 59.81 2kmi s ILE 109 Cb -0.10 -0.95 0.03 0.00 0.15 0.00 0.00 42.46 41.60 2kmi s ILE 109 CO 0.03 0.33 0.04 0.12 -2.11 0.00 0.00 174.94 173.34 2kmi s PHE 110 N 0.61 0.28 -0.02 3.50 2.19 -0.84 -2.05 117.98 121.65 2kmi s PHE 110 Ca -0.12 0.10 0.00 0.00 0.33 0.00 0.00 56.93 57.24 2kmi s PHE 110 Cb -0.15 -0.59 0.03 0.00 -1.31 0.00 0.00 43.02 41.00 2kmi s PHE 110 CO 0.03 -0.24 0.02 0.00 1.83 0.00 0.00 175.22 176.86 2kmi s MET 111 N 2.07 0.08 -0.01 10.12 0.23 -1.16 -0.44 119.30 130.18 2kmi s MET 111 Ca 0.05 0.13 -0.16 0.00 -1.03 0.00 0.00 55.69 54.68 2kmi s MET 111 Cb -0.12 -0.30 0.03 0.00 -1.53 0.00 0.00 34.83 32.91 2kmi s MET 111 CO -0.04 -0.13 0.33 -1.17 -2.03 0.00 0.00 175.02 171.98 2kmi s LEU 112 N 0.91 0.78 0.31 0.18 2.96 -0.66 -3.12 118.68 120.05 2kmi s LEU 112 Ca -0.08 0.10 0.08 0.00 -0.22 0.00 0.00 54.13 54.01 2kmi s LEU 112 Cb -0.12 1.33 0.51 0.00 0.50 0.00 0.00 46.19 48.42 2kmi s LEU 112 CO -0.02 -0.46 1.72 0.08 -1.32 0.00 0.00 176.35 176.35 2kmi h ARG 113 N 3.79 0.16 0.00 1.98 -0.00 -1.80 -3.33 114.38 115.18 2kmi h ARG 113 Ca -0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.61 2kmi h ARG 113 Cb 1.18 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2kmi h ARG 113 CO 0.40 0.56 -0.03 -0.44 -0.00 0.00 0.00 179.97 180.46 2kmi h ASP 114 N 0.13 0.00 0.00 0.08 3.32 -1.92 -3.40 116.42 114.63 2kmi h ASP 114 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2kmi h ASP 114 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2kmi h ASP 114 CO 0.06 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 2kmi n GLY 115 N 1.83 1.04 0.27 2.75 0.00 -1.25 -4.64 105.19 105.20 2kmi n GLY 115 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.76 -0.95 1.61 0.87 -1.94 0.24 113.55 112.61 2kmi h SER 116 Ca 0.00 0.13 0.14 0.00 -1.23 0.00 0.00 61.79 60.83 2kmi h SER 116 Cb 0.00 0.35 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 2kmi h SER 116 CO 0.00 -0.28 0.60 0.22 -0.53 0.00 0.00 176.83 176.84 2kmi h TYR 117 N -0.27 0.98 0.00 2.24 3.20 -2.00 0.97 116.97 122.08 2kmi h TYR 117 Ca 0.12 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2kmi h TYR 117 Cb 0.46 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2kmi h TYR 117 CO -0.37 0.36 -0.50 0.00 -1.64 0.00 0.00 178.16 176.01 2kmi h ALA 118 N 1.58 1.17 -0.82 1.82 0.00 -1.50 -2.95 119.26 118.55 2kmi h ALA 118 Ca 0.48 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 55.17 2kmi h ALA 118 Cb 0.64 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2kmi h ALA 118 CO -0.25 0.62 0.59 2.35 0.00 0.00 0.00 179.25 182.57 2kmi h TRP 119 N 0.00 0.02 0.94 0.00 2.91 0.11 0.26 115.95 120.19 2kmi h TRP 119 Ca -0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.89 -0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2kmi h TRP 119 CO 0.00 0.00 -0.45 1.49 -1.03 0.00 0.00 178.44 178.45 2kmi h GLU 120 N 0.01 -1.22 0.00 2.65 4.22 -1.56 -3.06 114.58 115.63 2kmi h GLU 120 Ca 0.39 0.08 -0.10 0.00 0.08 0.00 0.00 59.36 59.81 2kmi h GLU 120 Cb 1.56 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2kmi h GLU 120 CO -0.01 -0.81 -0.49 0.82 -2.18 0.00 0.00 179.01 176.34 2kmi h ILE 121 N -1.33 1.34 -0.82 2.32 5.03 -1.54 -2.94 117.51 119.57 2kmi h ILE 121 Ca -0.13 -1.69 0.24 0.00 -0.12 0.00 0.00 64.86 63.16 2kmi h ILE 121 Cb 0.97 1.91 -0.03 0.00 -3.03 0.00 0.00 36.82 36.64 2kmi h ILE 121 CO 0.21 0.48 0.59 0.50 -0.68 0.00 0.00 178.15 179.25 2kmi h LYS 122 N 0.00 0.01 -0.30 2.37 3.64 -0.43 0.23 116.57 122.10 2kmi h LYS 122 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kmi h LYS 122 Cb 0.87 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2kmi h LYS 122 CO 0.06 0.01 0.16 0.22 -2.27 0.00 0.00 179.45 177.63 2kmi h ASP 123 N 0.02 0.38 -0.14 4.20 3.58 -1.42 -1.59 116.42 121.44 2kmi h ASP 123 Ca 0.39 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 2kmi h ASP 123 Cb 1.55 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.50 2kmi h ASP 123 CO -0.01 0.36 -0.15 0.15 -2.88 0.00 0.00 179.24 176.71 2kmi h PHE 124 N 0.36 0.43 0.20 0.28 3.57 -1.16 -1.73 116.94 118.88 2kmi h PHE 124 Ca 0.10 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2kmi h PHE 124 Cb 0.08 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2kmi h PHE 124 CO -0.03 0.75 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.21 2kmi h LEU 125 N -0.02 -1.56 -1.87 0.59 3.38 -1.25 -1.30 115.31 113.27 2kmi h LEU 125 Ca 0.02 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2kmi h LEU 125 Cb 0.69 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2kmi h LEU 125 CO 0.04 -0.58 -0.07 1.62 0.09 0.00 0.00 178.44 179.53 2kmi h VAL 126 N -0.81 1.04 -0.81 1.22 3.04 -1.37 -2.05 116.25 116.50 2kmi h VAL 126 Ca -0.02 -0.24 0.23 0.00 -1.01 0.00 0.00 66.70 65.67 2kmi h VAL 126 Cb 0.79 1.13 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 2kmi h VAL 126 CO -0.24 0.07 0.58 -1.28 -1.01 0.00 0.00 177.57 175.69 2kmi h SER 127 N 0.00 0.03 -0.23 3.17 0.87 -0.27 0.18 113.55 117.29 2kmi h SER 127 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2kmi h SER 127 Cb 0.12 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2kmi h SER 127 CO 0.01 0.01 -0.09 1.56 -0.53 0.00 0.00 176.83 177.79 2kmi h GLN 128 N 0.03 0.47 -1.29 2.24 1.08 -1.24 -3.47 115.11 112.92 2kmi h GLN 128 Ca 0.39 -0.19 -0.36 0.00 -1.45 0.00 0.00 58.65 57.04 2kmi h GLN 128 Cb 1.52 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.82 2kmi h GLN 128 CO -0.02 0.72 -0.36 -3.47 -0.95 0.00 0.00 178.83 174.76 2kmi n ASP 129 N -4.54 -5.12 -2.65 1.46 2.03 0.05 -4.79 116.55 102.99 2kmi n ASP 129 Ca -0.04 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.55 2kmi n ASP 129 Cb 0.32 -4.18 0.10 0.00 -0.72 0.00 0.00 41.12 36.65 2kmi n ASP 129 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2kmi n ARG 130 N -2.54 0.02 -3.75 -0.67 1.85 0.02 -4.60 116.66 106.98 2kmi n ARG 130 Ca -0.18 -0.52 -0.13 0.00 -1.00 0.00 0.00 57.85 56.01 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 -0.56 2.64 0.02 0.00 0.00 -1.26 -2.48 121.76 120.12 2kmi s ALA 132 Ca -0.07 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2kmi s ALA 132 Cb -0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2kmi s ALA 132 CO 0.02 -0.24 -0.07 -1.21 0.00 0.00 0.00 175.76 174.27 2kmi s GLU 133 N 1.15 0.47 -0.13 0.00 2.02 0.89 -3.93 118.70 119.18 2kmi s GLU 133 Ca 0.01 -0.48 -0.13 0.00 0.02 0.00 0.00 54.97 54.40 2kmi s GLU 133 Cb -0.14 -0.35 0.03 0.00 0.10 0.00 0.00 34.13 33.77 2kmi s GLU 133 CO -0.03 0.08 0.36 0.54 0.02 0.00 0.00 175.26 176.23 2kmi s VAL 134 N -0.76 0.00 -0.15 2.63 0.11 -1.19 -2.16 120.40 118.88 2kmi s VAL 134 Ca -0.04 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2kmi s VAL 134 Cb -0.06 -0.51 0.07 0.00 -1.53 0.00 0.00 36.38 34.35 2kmi s VAL 134 CO 0.00 -0.00 0.31 -0.89 -3.33 0.00 0.00 175.10 171.19 2kmi s THR 135 N 0.17 -0.49 -0.02 5.04 2.01 -0.32 -4.47 115.64 117.57 2kmi s THR 135 Ca -0.00 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.27 2kmi s THR 135 Cb -0.03 -0.51 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 2kmi s THR 135 CO 0.01 0.10 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.46 2kmi s LEU 136 N 2.48 1.89 -0.00 4.42 0.05 -1.26 -3.14 118.68 123.12 2kmi s LEU 136 Ca 0.00 -0.18 -0.03 0.00 0.05 0.00 0.00 54.13 53.98 2kmi s LEU 136 Cb -0.12 -0.52 -0.00 0.00 -2.05 0.00 0.00 46.19 43.49 2kmi s LEU 136 CO -0.10 0.09 0.05 -0.70 -0.55 0.00 0.00 176.35 175.14 2kmi s GLU 137 N -0.00 0.26 -0.42 1.48 -6.30 -1.26 -4.88 118.70 107.58 2kmi s GLU 137 Ca 0.00 -0.28 0.06 0.00 -2.50 0.00 0.00 54.97 52.26 2kmi s GLU 137 Cb -0.06 0.10 0.33 0.00 0.00 0.00 0.00 34.13 34.50 2kmi s GLU 137 CO 0.00 -0.05 1.22 0.41 0.02 0.00 0.00 175.26 176.86 2kmi n GLY 138 N 2.14 0.51 3.35 -1.50 0.00 -1.26 -2.65 105.19 105.77 2kmi n GLY 138 Ca -0.19 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 0.21 3.41 -1.61 1.61 2.00 -1.26 -4.53 119.66 119.49 2kmi s GLN 139 Ca 0.21 -0.63 0.00 0.00 -2.00 0.00 0.00 55.36 52.93 2kmi s GLN 139 Cb 0.31 -2.86 0.00 0.00 0.80 0.00 0.00 33.01 31.26 2kmi s GLN 139 CO -0.08 0.00 0.00 -0.12 -0.50 0.00 0.00 175.29 174.60 2kmi n MET 140 N 4.19 -1.33 -3.12 1.67 1.56 -1.26 -3.36 117.12 115.46 2kmi n MET 140 Ca -0.18 0.94 -0.02 0.00 -0.27 0.00 0.00 57.70 58.16 2kmi n MET 140 Cb 0.52 -5.32 0.00 0.00 2.15 0.00 0.00 33.22 30.56 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 -3.49 -2.92 -0.54 1.12 4.01 -1.26 -4.69 117.16 109.40 2kmi n TYR 141 Ca -0.20 1.12 -0.03 0.00 -0.16 0.00 0.00 57.90 58.64 2kmi n TYR 141 Cb 0.63 -4.00 0.02 0.00 -0.31 0.00 0.00 39.34 35.68 2kmi n TYR 141 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kmi n PRO 142 N -1.80 -1.21 0.00 -0.72 -0.04 -1.22 -4.54 135.00 125.47 2kmi n PRO 142 Ca -0.03 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2kmi n PRO 142 Cb 0.52 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2kmi n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kmi n GLY 143 N 1.82 0.75 3.53 0.55 0.00 -1.26 -3.13 105.19 107.45 2kmi n GLY 143 Ca 0.01 0.66 -0.38 0.00 0.00 0.00 0.00 46.02 46.32 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 0.63 0.00 1.61 4.81 -1.26 -3.50 118.16 120.45 2kmi n LYS 144 Ca 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2kmi n LYS 144 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98