#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi s LYS 2 N 0.00 0.16 0.54 -0.14 2.20 -1.26 -5.00 119.74 116.24 2kmi s LYS 2 Ca 0.00 0.30 0.30 0.00 -0.36 0.00 0.00 55.97 56.21 2kmi s LYS 2 Cb 0.00 0.06 1.46 0.00 -1.51 0.00 0.00 37.83 37.84 2kmi s LYS 2 CO 0.00 -0.04 1.92 0.87 -0.36 0.00 0.00 175.35 177.74 2kmi h LYS 3 N 5.79 0.00 -1.27 4.03 6.56 -2.02 -0.03 116.57 129.62 2kmi h LYS 3 Ca -0.25 -0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.72 2kmi h LYS 3 Cb 1.16 -0.00 -0.38 0.00 -0.57 0.00 0.00 32.23 32.44 2kmi h LYS 3 CO 0.19 0.00 -0.23 0.36 -2.06 0.00 0.00 179.45 177.72 2kmi n LYS 4 N -4.30 3.27 -1.48 3.15 2.85 -1.26 -3.51 118.16 116.88 2kmi n LYS 4 Ca 0.16 -4.06 -0.27 0.00 -1.05 0.00 0.00 58.31 53.10 2kmi n LYS 4 Cb 0.87 -2.27 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 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 -0.63 6.46 -3.77 -5.58 2.03 -0.03 -4.98 116.55 110.05 2kmi n ASP 5 Ca 0.47 -3.20 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 2kmi n ASP 5 Cb 0.69 -1.23 0.29 0.00 -0.72 0.00 0.00 41.12 40.14 2kmi n ASP 5 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kmi n ILE 6 N 0.88 0.00 -1.42 5.18 -5.35 -1.26 -4.91 119.36 112.48 2kmi n ILE 6 Ca 0.49 -0.22 -0.36 0.00 -0.27 0.00 0.00 62.75 62.39 2kmi n ILE 6 Cb 0.55 -1.00 0.07 0.00 -1.74 0.00 0.00 39.64 37.53 2kmi n ILE 6 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2kmi n ARG 7 N -5.53 2.71 -1.99 6.28 5.12 -1.26 -4.81 116.66 117.18 2kmi n ARG 7 Ca 0.09 -3.33 -0.17 0.00 -1.93 0.00 0.00 57.85 52.50 2kmi n ARG 7 Cb 0.58 -2.29 -0.04 0.00 -1.16 0.00 0.00 32.46 29.56 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 -0.86 -5.10 -2.66 0.55 2.03 -1.26 -4.10 116.55 105.15 2kmi n ASP 8 Ca 0.62 0.17 -0.04 0.00 0.52 0.00 0.00 54.79 56.05 2kmi n ASP 8 Cb 0.60 -4.16 -0.04 0.00 -0.72 0.00 0.00 41.12 36.81 2kmi n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmi n TYR 9 N -3.38 -4.21 0.00 -0.67 9.36 -1.26 -5.00 117.16 112.00 2kmi n TYR 9 Ca -0.19 2.32 0.00 0.00 3.32 0.00 0.00 57.90 63.35 2kmi n TYR 9 Cb 0.62 -3.84 0.00 0.00 -0.63 0.00 0.00 39.34 35.50 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2kmi n ASN 10 N 1.50 0.00 -0.97 2.98 4.13 -1.26 -5.01 115.26 116.64 2kmi n ASN 10 Ca -0.31 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 55.95 2kmi n ASN 10 Cb 0.49 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kmi n ASP 11 N -1.54 -0.05 -0.06 6.41 2.03 -1.26 -5.01 116.55 117.07 2kmi n ASP 11 Ca 0.00 -0.51 -0.10 0.00 0.52 0.00 0.00 54.79 54.70 2kmi n ASP 11 Cb 0.00 0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.46 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kmi h ALA 12 N 0.02 0.71 -0.99 -1.67 0.00 -1.95 -3.09 119.26 112.30 2kmi h ALA 12 Ca -0.02 -0.45 0.17 0.00 0.00 0.00 0.00 54.91 54.61 2kmi h ALA 12 Cb 0.75 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 2kmi h ALA 12 CO -0.01 0.66 0.60 0.38 0.00 0.00 0.00 179.25 180.88 2kmi h ASP 13 N 0.61 0.79 -0.52 0.00 3.04 -1.95 0.24 116.42 118.63 2kmi h ASP 13 Ca 0.05 0.09 0.15 0.00 -3.24 0.00 0.00 57.03 54.08 2kmi h ASP 13 Cb 0.95 -0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 39.16 2kmi h ASP 13 CO 0.09 0.32 0.43 -0.03 -2.04 0.00 0.00 179.24 178.01 2kmi h MET 14 N 0.80 0.00 0.00 4.15 4.05 -1.72 0.24 114.93 122.46 2kmi h MET 14 Ca 0.55 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.97 2kmi h MET 14 Cb 0.78 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 2kmi h MET 14 CO -0.36 0.00 -0.01 0.00 0.23 0.00 0.00 176.91 176.78 2kmi h ALA 15 N 1.62 1.46 -0.28 0.39 0.00 -0.66 -1.61 119.26 120.18 2kmi h ALA 15 Ca 0.25 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2kmi h ALA 15 Cb 1.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kmi h ALA 15 CO -0.00 0.01 0.29 -0.09 0.00 0.00 0.00 179.25 179.46 2kmi h ARG 16 N 0.00 0.00 0.00 0.00 1.12 -0.63 0.14 114.38 115.01 2kmi h ARG 16 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2kmi h ARG 16 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2kmi h ARG 16 CO 0.00 0.00 0.00 1.37 -3.11 0.00 0.00 179.97 178.23 2kmi h LEU 17 N 0.00 0.00 -1.70 3.80 8.10 -1.48 -2.30 115.31 121.73 2kmi h LEU 17 Ca 0.13 0.00 0.24 0.00 0.11 0.00 0.00 57.88 58.37 2kmi h LEU 17 Cb 0.72 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.88 2kmi h LEU 17 CO -0.00 0.00 0.64 -0.07 -4.11 0.00 0.00 178.44 174.90 2kmi h LEU 18 N 0.00 0.23 -1.99 0.17 3.38 -0.92 0.24 115.31 116.42 2kmi h LEU 18 Ca 0.00 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.22 2kmi h LEU 18 Cb 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2kmi h LEU 18 CO 0.00 0.08 0.56 -0.08 0.09 0.00 0.00 178.44 179.08 2kmi h GLU 19 N 0.22 0.00 -0.40 1.13 4.81 -1.64 0.19 114.58 118.90 2kmi h GLU 19 Ca 0.48 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.83 2kmi h GLU 19 Cb 1.50 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 2kmi h GLU 19 CO -0.12 0.00 0.37 0.37 -0.73 0.00 0.00 179.01 178.90 2kmi h GLN 20 N 0.00 0.00 -1.00 1.92 4.15 -0.58 -0.19 115.11 119.41 2kmi h GLN 20 Ca 0.36 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.81 2kmi h GLN 20 Cb 1.47 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.10 2kmi h GLN 20 CO -0.00 0.00 0.66 2.35 -1.93 0.00 0.00 178.83 179.90 2kmi h TRP 21 N 0.00 1.23 0.57 3.99 2.91 -0.81 -3.12 115.95 120.72 2kmi h TRP 21 Ca 0.19 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.21 2kmi h TRP 21 Cb 0.93 -0.41 0.01 0.00 -0.51 0.00 0.00 29.16 29.17 2kmi h TRP 21 CO 0.00 0.71 -0.27 0.93 -1.03 0.00 0.00 178.44 178.78 2kmi h GLU 22 N 1.27 -0.73 -2.00 2.65 3.07 -1.20 -3.46 114.58 114.18 2kmi h GLU 22 Ca 0.40 0.05 -0.37 0.00 -0.50 0.00 0.00 59.36 58.94 2kmi h GLU 22 Cb -0.00 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 27.98 2kmi h GLU 22 CO -0.12 -0.49 -0.39 1.17 -1.40 0.00 0.00 179.01 177.78 2kmi n LYS 23 N -4.83 -1.58 0.24 2.33 4.81 -1.18 -4.82 118.16 113.13 2kmi n LYS 23 Ca -0.09 0.99 0.11 0.00 -0.87 0.00 0.00 58.31 58.44 2kmi n LYS 23 Cb 0.30 -5.45 0.59 0.00 0.02 0.00 0.00 35.03 30.49 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 -5.85 3.14 5.19 -1.83 -3.47 116.42 113.60 2kmi h ASP 24 Ca -0.39 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.64 2kmi h ASP 24 Cb 1.23 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.86 2kmi h ASP 24 CO 0.53 0.18 -0.75 0.47 -3.12 0.00 0.00 179.24 176.55 2kmi n ASP 25 N -3.52 -3.49 0.15 6.45 9.92 -1.26 -4.85 116.55 119.96 2kmi n ASP 25 Ca -0.01 -0.65 0.18 0.00 -0.53 0.00 0.00 54.79 53.79 2kmi n ASP 25 Cb 0.34 -4.80 0.78 0.00 -0.64 0.00 0.00 41.12 36.80 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kmi h ASP 26 N -2.16 0.00 -3.27 -2.24 3.32 -1.75 -3.40 116.42 106.92 2kmi h ASP 26 Ca -0.59 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.35 2kmi h ASP 26 Cb 1.36 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.64 2kmi h ASP 26 CO 0.55 0.00 -0.29 0.27 -1.72 0.00 0.00 179.24 178.04 2kmi s ILE 27 N -4.68 -0.02 -0.22 0.35 -4.36 -1.26 -5.05 121.20 105.96 2kmi s ILE 27 Ca -0.05 0.09 0.04 0.00 -0.26 0.00 0.00 60.65 60.47 2kmi s ILE 27 Cb 0.16 -0.61 -0.20 0.00 1.25 0.00 0.00 42.46 43.06 2kmi s ILE 27 CO 0.57 0.04 -0.05 -1.84 0.24 0.00 0.00 174.94 173.90 2kmi n GLU 28 N 4.17 0.67 -3.66 0.37 0.28 -1.26 -4.96 120.64 116.25 2kmi n GLU 28 Ca -0.23 0.15 -0.32 0.00 -0.16 0.00 0.00 57.16 56.60 2kmi n GLU 28 Cb 0.55 -1.56 -0.05 0.00 1.43 0.00 0.00 31.44 31.81 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kmi s GLU 29 N -2.52 3.63 0.00 3.44 2.12 -1.26 -4.78 118.70 119.33 2kmi s GLU 29 Ca -0.28 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2kmi s GLU 29 Cb 0.08 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.61 2kmi s GLU 29 CO 0.67 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 176.28 2kmi n GLY 30 N 0.17 0.18 3.78 -1.50 0.00 -1.26 -4.62 105.19 101.94 2kmi n GLY 30 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 5.41 0.26 1.61 -4.77 -1.21 -4.38 116.67 113.58 2kmi s ASP 31 Ca 0.00 1.98 0.09 0.00 -3.30 0.00 0.00 52.55 51.32 2kmi s ASP 31 Cb 0.00 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.24 2kmi s ASP 31 CO 0.00 -1.43 0.02 -1.48 0.70 0.00 0.00 175.17 172.98 2kmi s LEU 32 N -4.57 3.28 -0.60 2.11 2.34 -1.26 -5.04 118.68 114.93 2kmi s LEU 32 Ca 0.67 -0.58 -0.27 0.00 0.06 0.00 0.00 54.13 54.02 2kmi s LEU 32 Cb -0.20 -1.81 -0.02 0.00 -0.56 0.00 0.00 46.19 43.60 2kmi s LEU 32 CO 0.38 0.01 1.86 -2.16 -1.06 0.00 0.00 176.35 175.37 2kmi s PRO 33 N -3.62 2.65 -0.12 1.48 0.04 -1.26 -4.97 135.00 129.19 2kmi s PRO 33 Ca 0.31 0.63 -0.04 0.00 0.04 0.00 0.00 61.00 61.94 2kmi s PRO 33 Cb -0.07 -4.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.06 2kmi s PRO 33 CO 0.20 -2.71 0.02 -2.00 0.04 0.00 0.00 177.00 172.56 2kmi s GLU 34 N 7.00 3.35 0.00 4.56 -6.30 -1.26 -4.97 118.70 121.07 2kmi s GLU 34 Ca 0.67 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.76 2kmi s GLU 34 Cb -0.13 -2.94 0.00 0.00 0.00 0.00 0.00 34.13 31.06 2kmi s GLU 34 CO 0.21 0.55 0.00 -2.39 0.02 0.00 0.00 175.26 173.65 2kmi n HIS 35 N 2.63 0.00 -3.60 5.30 1.44 -1.26 -5.15 115.22 114.59 2kmi n HIS 35 Ca -0.18 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.45 2kmi n HIS 35 Cb 0.53 0.27 -0.02 0.00 0.12 0.00 0.00 29.99 30.90 2kmi n HIS 35 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2kmi s LYS 36 N -1.98 1.18 0.29 -1.40 0.00 -1.26 -5.01 119.74 111.55 2kmi s LYS 36 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 55.97 55.55 2kmi s LYS 36 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 37.83 38.25 2kmi s LYS 36 CO 0.00 -0.53 -0.16 1.03 0.00 0.00 0.00 175.35 175.70 2kmi s ARG 37 N -3.44 1.78 0.56 1.78 3.00 -1.26 -5.05 118.95 116.32 2kmi s ARG 37 Ca 0.07 -1.74 -0.19 0.00 0.00 0.00 0.00 55.73 53.86 2kmi s ARG 37 Cb -0.02 -1.82 -0.05 0.00 0.00 0.00 0.00 34.95 33.06 2kmi s ARG 37 CO -0.05 0.31 1.13 -1.25 0.00 0.00 0.00 175.30 175.44 2kmi s PRO 38 N -3.55 3.30 -0.34 3.54 0.04 -1.26 -4.65 135.00 132.07 2kmi s PRO 38 Ca 0.31 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 2kmi s PRO 38 Cb -0.04 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2kmi s PRO 38 CO 0.16 -0.89 0.11 -1.12 0.04 0.00 0.00 177.00 175.30 2kmi s SER 39 N -1.86 5.36 -0.26 6.66 0.01 -1.26 -4.11 113.70 118.24 2kmi s SER 39 Ca 0.72 -1.13 -0.38 0.00 1.31 0.00 0.00 55.95 56.48 2kmi s SER 39 Cb -0.24 -1.88 0.15 0.00 0.21 0.00 0.00 66.02 64.26 2kmi s SER 39 CO 0.28 -0.33 1.34 0.00 0.41 0.00 0.00 173.24 174.94 2kmi s ALA 40 N 1.42 -2.18 0.09 1.44 0.00 -1.26 -5.02 121.76 116.25 2kmi s ALA 40 Ca -0.01 1.82 -0.31 0.00 0.00 0.00 0.00 51.96 53.45 2kmi s ALA 40 Cb -0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.54 2kmi s ALA 40 CO 0.03 -0.57 1.38 -1.25 0.00 0.00 0.00 175.76 175.35 2kmi s PRO 41 N -2.14 4.32 -0.11 0.00 0.04 -1.26 -3.70 135.00 132.15 2kmi s PRO 41 Ca 0.11 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 2kmi s PRO 41 Cb -0.01 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.27 2kmi s PRO 41 CO -0.03 -0.45 0.23 -1.50 0.04 0.00 0.00 177.00 175.30 2kmi s ILE 42 N 1.33 -0.25 0.11 0.56 2.07 -1.25 -5.05 121.20 118.71 2kmi s ILE 42 Ca 0.64 0.25 -0.00 0.00 -1.41 0.00 0.00 60.65 60.13 2kmi s ILE 42 Cb -0.35 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 2kmi s ILE 42 CO 0.30 0.10 0.00 -1.81 -1.91 0.00 0.00 174.94 171.62 2kmi s ASP 43 N 1.96 0.66 0.17 4.50 1.01 -1.26 -4.10 116.67 119.62 2kmi s ASP 43 Ca -0.02 -1.12 0.15 0.00 0.71 0.00 0.00 52.55 52.27 2kmi s ASP 43 Cb -0.11 0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.97 2kmi s ASP 43 CO -0.08 -0.62 1.18 0.15 0.21 0.00 0.00 175.17 176.01 2kmi h PHE 44 N 2.92 0.00 0.00 4.23 3.57 -1.54 -3.39 116.94 122.74 2kmi h PHE 44 Ca -0.35 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.05 2kmi h PHE 44 Cb 1.18 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.75 2kmi h PHE 44 CO 0.50 0.59 -0.53 0.45 -2.23 0.00 0.00 178.31 177.10 2kmi n SER 45 N -3.11 0.01 -2.27 0.41 2.88 -1.26 -5.08 113.62 105.19 2kmi n SER 45 Ca -0.03 -1.83 -0.02 0.00 -1.33 0.00 0.00 58.87 55.65 2kmi n SER 45 Cb 0.80 -0.04 -0.02 0.00 -0.75 0.00 0.00 64.21 64.21 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kmi n LYS 46 N 0.17 -4.18 -3.64 -1.46 5.02 -1.26 -4.97 118.16 107.83 2kmi n LYS 46 Ca -0.07 3.16 -0.38 0.00 -2.02 0.00 0.00 58.31 59.00 2kmi n LYS 46 Cb 0.82 -4.26 -0.12 0.00 -0.02 0.00 0.00 35.03 31.45 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kmi s LEU 47 N -0.53 4.02 -0.49 -0.35 1.43 -1.26 -5.01 118.68 116.48 2kmi s LEU 47 Ca -0.12 -0.33 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 2kmi s LEU 47 Cb 0.01 -2.03 0.22 0.00 0.03 0.00 0.00 46.19 44.42 2kmi s LEU 47 CO 0.32 -0.14 0.53 0.47 0.23 0.00 0.00 176.35 177.77 2kmi n ASP 48 N 5.01 1.24 0.20 2.29 9.92 -1.26 -4.92 116.55 129.03 2kmi n ASP 48 Ca -0.14 -2.87 0.15 0.00 -0.53 0.00 0.00 54.79 51.40 2kmi n ASP 48 Cb 0.50 -0.64 0.60 0.00 -0.64 0.00 0.00 41.12 40.94 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kmi h PRO 49 N 4.56 0.00 -3.40 -0.24 0.13 -2.00 -3.46 132.00 127.59 2kmi h PRO 49 Ca 0.15 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.92 2kmi h PRO 49 Cb 0.82 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.97 2kmi h PRO 49 CO 0.56 0.00 -0.51 0.41 -0.23 0.00 0.00 178.00 178.23 2kmi n GLY 50 N -0.02 -0.38 3.76 1.56 0.00 -1.26 -4.98 105.19 103.87 2kmi n GLY 50 Ca 0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.28 2.15 0.45 1.61 1.02 -1.26 -5.00 119.74 113.43 2kmi s LYS 51 Ca 0.15 1.11 -0.23 0.00 0.02 0.00 0.00 55.97 57.02 2kmi s LYS 51 Cb -0.07 -1.89 -0.08 0.00 -0.52 0.00 0.00 37.83 35.28 2kmi s LYS 51 CO 0.19 -1.70 1.17 -1.25 -0.92 0.00 0.00 175.35 172.84 2kmi s PRO 52 N -4.92 3.80 0.08 -1.68 0.04 -1.26 -4.97 135.00 126.10 2kmi s PRO 52 Ca 0.61 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 2kmi s PRO 52 Cb -0.17 -2.45 -0.28 0.00 0.04 0.00 0.00 34.50 31.64 2kmi s PRO 52 CO 0.56 -0.52 1.15 0.93 0.04 0.00 0.00 177.00 179.16 2kmi h GLU 53 N 2.14 0.24 -0.04 4.56 5.08 -1.98 -2.99 114.58 121.60 2kmi h GLU 53 Ca -0.49 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 57.49 2kmi h GLU 53 Cb 1.25 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.59 2kmi h GLU 53 CO 0.61 1.19 -0.35 1.03 -1.00 0.00 0.00 179.01 180.49 2kmi h SER 54 N 0.07 -1.07 -0.24 1.42 0.87 -2.00 0.22 113.55 112.82 2kmi h SER 54 Ca -0.12 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2kmi h SER 54 Cb 1.95 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 64.33 2kmi h SER 54 CO 0.20 -0.40 -0.01 0.40 -0.53 0.00 0.00 176.83 176.49 2kmi h ILE 55 N -0.48 1.26 -0.43 2.23 1.08 -1.99 -2.78 117.51 116.40 2kmi h ILE 55 Ca 0.07 -0.92 0.13 0.00 -0.39 0.00 0.00 64.86 63.74 2kmi h ILE 55 Cb 0.59 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 2kmi h ILE 55 CO -0.31 0.29 0.32 -0.07 -0.69 0.00 0.00 178.15 177.69 2kmi h LEU 56 N 0.19 0.00 0.09 1.44 3.38 -1.32 -1.80 115.31 117.29 2kmi h LEU 56 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kmi h LEU 56 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kmi h LEU 56 CO 0.01 0.00 -0.05 0.11 0.09 0.00 0.00 178.44 178.61 2kmi h LYS 57 N 0.00 -0.12 0.14 1.13 1.57 -0.29 -3.26 116.57 115.73 2kmi h LYS 57 Ca 0.20 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 2kmi h LYS 57 Cb 0.84 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 2kmi h LYS 57 CO -0.00 0.14 -0.47 0.52 -0.57 0.00 0.00 179.45 179.07 2kmi h MET 58 N -0.38 -0.69 -4.41 3.15 2.86 -1.29 -3.36 114.93 110.81 2kmi h MET 58 Ca -0.01 0.05 -0.73 0.00 -2.06 0.00 0.00 59.70 56.95 2kmi h MET 58 Cb 0.32 0.16 -0.24 0.00 0.06 0.00 0.00 31.60 31.90 2kmi h MET 58 CO 0.02 -0.46 -0.41 0.95 1.06 0.00 0.00 176.91 178.08 2kmi s THR 59 N -5.86 4.91 -0.19 2.22 -4.23 -1.11 -5.03 115.64 106.36 2kmi s THR 59 Ca -0.16 -1.04 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2kmi s THR 59 Cb 0.07 -3.89 0.09 0.00 1.34 0.00 0.00 72.50 70.12 2kmi s THR 59 CO 0.62 -0.46 0.27 -0.75 -0.54 0.00 0.00 174.62 173.76 2kmi s LYS 60 N 1.59 0.22 -0.40 3.99 2.20 -1.25 -4.67 119.74 121.41 2kmi s LYS 60 Ca 0.04 0.44 0.09 0.00 -0.36 0.00 0.00 55.97 56.18 2kmi s LYS 60 Cb -0.22 -0.69 0.29 0.00 -1.51 0.00 0.00 37.83 35.69 2kmi s LYS 60 CO 0.06 -0.54 0.69 1.17 -0.36 0.00 0.00 175.35 176.37 2kmi n LYS 61 N 5.34 0.83 -2.45 4.03 4.81 -1.26 -5.12 118.16 124.34 2kmi n LYS 61 Ca -0.05 -2.96 -0.42 0.00 -0.87 0.00 0.00 58.31 54.01 2kmi n LYS 61 Cb 0.50 -1.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.13 2kmi n LYS 61 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2kmi s GLY 62 N -1.65 2.50 0.11 3.14 0.00 -1.26 -4.52 107.32 105.63 2kmi s GLY 62 Ca 0.35 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 45.77 2kmi s GLY 62 CO -0.11 1.97 0.29 0.54 0.00 0.00 0.00 173.10 175.79 2kmi s LYS 63 N 0.92 0.95 -0.00 2.90 1.02 -1.26 -3.84 119.74 120.43 2kmi s LYS 63 Ca 0.57 -0.85 -0.19 0.00 0.02 0.00 0.00 55.97 55.53 2kmi s LYS 63 Cb -0.29 0.40 -0.06 0.00 -0.52 0.00 0.00 37.83 37.37 2kmi s LYS 63 CO 0.30 -0.34 0.55 0.95 -0.92 0.00 0.00 175.35 175.89 2kmi s THR 64 N -3.84 4.92 -0.21 2.17 -4.23 -0.44 -4.41 115.64 109.60 2kmi s THR 64 Ca 0.04 1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 61.68 2kmi s THR 64 Cb 0.03 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 70.00 2kmi s THR 64 CO -0.11 0.46 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.11 2kmi s LEU 65 N -0.40 2.70 -0.30 4.79 2.96 -1.26 -3.95 118.68 123.21 2kmi s LEU 65 Ca 0.29 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.56 2kmi s LEU 65 Cb -0.18 -1.65 0.17 0.00 0.50 0.00 0.00 46.19 45.03 2kmi s LEU 65 CO 0.16 -0.03 0.82 0.00 -1.32 0.00 0.00 176.35 175.99 2kmi s MET 66 N 1.40 0.41 -0.16 1.98 0.23 -1.19 -3.38 119.30 118.59 2kmi s MET 66 Ca 0.05 0.89 -0.14 0.00 -1.03 0.00 0.00 55.69 55.46 2kmi s MET 66 Cb -0.14 0.52 0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2kmi s MET 66 CO -0.07 -0.28 0.42 -1.64 -2.03 0.00 0.00 175.02 171.43 2kmi s MET 67 N 2.76 0.47 -0.05 3.16 -1.94 -1.16 -1.51 119.30 121.03 2kmi s MET 67 Ca 0.03 0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 54.61 2kmi s MET 67 Cb -0.11 0.19 0.03 0.00 2.01 0.00 0.00 34.83 36.95 2kmi s MET 67 CO -0.17 -0.08 0.04 -0.06 -0.01 0.00 0.00 175.02 174.74 2kmi s PHE 68 N 0.45 0.23 0.01 -0.03 0.08 -0.46 -2.96 117.98 115.29 2kmi s PHE 68 Ca -0.02 0.14 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 2kmi s PHE 68 Cb -0.04 -0.57 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 2kmi s PHE 68 CO -0.02 -0.23 0.15 0.08 -0.10 0.00 0.00 175.22 175.10 2kmi s VAL 69 N 2.12 0.09 -0.38 -0.44 1.01 -0.97 -0.08 120.40 121.74 2kmi s VAL 69 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2kmi s VAL 69 Cb -0.12 -0.49 0.19 0.00 0.00 0.00 0.00 36.38 35.97 2kmi s VAL 69 CO -0.04 -0.39 0.93 0.28 0.00 0.00 0.00 175.10 175.88 2kmi s THR 70 N -1.50 -0.49 -0.18 3.92 -1.32 -1.01 -1.22 115.64 113.83 2kmi s THR 70 Ca -0.14 -0.22 -0.35 0.00 -1.21 0.00 0.00 61.69 59.77 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 1.22 0.54 -2.21 0.00 0.00 174.62 174.19 2kmi s VAL 71 N 1.49 0.00 -0.25 5.08 0.11 -1.17 -1.51 120.40 124.15 2kmi s VAL 71 Ca 0.20 -0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.99 2kmi s VAL 71 Cb 0.04 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.80 2kmi s VAL 71 CO -0.11 0.00 0.80 -0.94 -3.33 0.00 0.00 175.10 171.52 2kmi s SER 72 N -2.24 6.78 0.00 3.54 1.04 -1.26 -3.23 113.70 118.33 2kmi s SER 72 Ca 0.10 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2kmi s SER 72 Cb -0.01 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2kmi s SER 72 CO -0.04 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2kmi n GLY 73 N 3.85 0.71 2.68 7.32 0.00 -1.26 -3.64 105.19 114.85 2kmi n GLY 73 Ca 0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.72 -4.55 1.61 5.03 -1.19 -4.14 115.26 110.30 2kmi n ASN 74 Ca 0.00 -1.66 -0.39 0.00 0.87 0.00 0.00 54.58 53.40 2kmi n ASN 74 Cb 0.00 0.92 -0.03 0.00 -1.02 0.00 0.00 39.78 39.65 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kmi s PRO 75 N 0.62 2.69 -0.36 3.52 0.04 -1.26 -3.64 135.00 136.61 2kmi s PRO 75 Ca 0.26 0.67 0.13 0.00 0.04 0.00 0.00 61.00 62.10 2kmi s PRO 75 Cb 0.16 -4.37 0.42 0.00 0.04 0.00 0.00 34.50 30.75 2kmi s PRO 75 CO -0.11 -2.65 1.23 0.25 0.04 0.00 0.00 177.00 175.76 2kmi n THR 76 N 7.22 0.41 0.20 1.26 -2.24 -1.26 -4.94 114.28 114.92 2kmi n THR 76 Ca 0.20 -2.04 0.18 0.00 -2.27 0.00 0.00 64.05 60.12 2kmi n THR 76 Cb 0.52 0.92 0.83 0.00 -2.10 0.00 0.00 70.33 70.49 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 2.26 0.00 -0.15 -0.78 4.11 -1.85 -1.03 114.58 117.14 2kmi h GLU 77 Ca -0.23 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.13 2kmi h GLU 77 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kmi h GLU 77 CO 0.12 0.00 -0.16 -0.22 0.07 0.00 0.00 179.01 178.81 2kmi h LYS 78 N 0.00 0.37 -0.50 1.06 3.11 -1.99 -2.97 116.57 115.65 2kmi h LYS 78 Ca 0.10 -0.20 -0.11 0.00 -2.81 0.00 0.00 60.65 57.62 2kmi h LYS 78 Cb 0.57 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2kmi h LYS 78 CO -0.00 0.76 -0.13 1.49 -2.81 0.00 0.00 179.45 178.76 2kmi h GLU 79 N -0.01 0.96 -0.46 1.90 4.57 -1.63 -3.09 114.58 116.82 2kmi h GLU 79 Ca 0.02 -0.36 0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2kmi h GLU 79 Cb 0.70 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.17 2kmi h GLU 79 CO 0.04 1.02 0.10 1.79 -1.18 0.00 0.00 179.01 180.78 2kmi h THR 80 N 0.85 0.76 -0.66 0.32 1.35 -1.35 -0.86 112.91 113.31 2kmi h THR 80 Ca 0.13 -0.08 0.04 0.00 -0.55 0.00 0.00 66.41 65.95 2kmi h THR 80 Cb 0.68 0.51 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 2kmi h THR 80 CO 0.05 0.04 0.44 -0.08 -0.25 0.00 0.00 175.52 175.72 2kmi h GLU 81 N 0.23 0.73 0.00 4.72 4.81 -1.44 -0.31 114.58 123.32 2kmi h GLU 81 Ca 0.23 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2kmi h GLU 81 Cb 0.29 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 2kmi h GLU 81 CO -0.29 0.48 -0.08 1.49 -0.73 0.00 0.00 179.01 179.88 2kmi h GLU 82 N 0.75 0.00 -0.77 1.92 4.81 -1.10 -2.40 114.58 117.79 2kmi h GLU 82 Ca 0.27 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2kmi h GLU 82 Cb 0.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2kmi h GLU 82 CO -0.08 0.08 0.47 0.82 -0.73 0.00 0.00 179.01 179.57 2kmi h ILE 83 N 0.00 1.22 -0.80 2.32 2.04 -0.79 -2.49 117.51 119.01 2kmi h ILE 83 Ca -0.00 -0.46 0.16 0.00 1.00 0.00 0.00 64.86 65.55 2kmi h ILE 83 Cb 0.19 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 36.30 2kmi h ILE 83 CO 0.01 0.22 0.34 0.74 0.00 0.00 0.00 178.15 179.46 2kmi h THR 84 N 1.05 0.63 -0.19 -0.27 2.02 -1.51 0.70 112.91 115.34 2kmi h THR 84 Ca 0.28 -0.16 -0.13 0.00 0.77 0.00 0.00 66.41 67.17 2kmi h THR 84 Cb -0.05 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2kmi h THR 84 CO -0.05 0.08 -0.44 0.28 0.37 0.00 0.00 175.52 175.76 2kmi h SER 85 N 0.46 0.51 -0.40 4.18 0.02 -1.59 -2.97 113.55 113.76 2kmi h SER 85 Ca 0.45 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2kmi h SER 85 Cb 0.71 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2kmi h SER 85 CO -0.42 0.88 0.20 -0.07 -1.14 0.00 0.00 176.83 176.28 2kmi h LEU 86 N 0.38 0.55 -0.92 5.07 3.38 -0.48 -2.43 115.31 120.87 2kmi h LEU 86 Ca 0.03 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.12 2kmi h LEU 86 Cb 0.93 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2kmi h LEU 86 CO 0.08 0.48 0.51 -0.50 0.09 0.00 0.00 178.44 179.10 2kmi h TRP 87 N 0.62 0.90 -1.00 1.13 6.55 -1.13 0.34 115.95 123.35 2kmi h TRP 87 Ca 0.15 0.03 0.18 0.00 0.95 0.00 0.00 58.89 60.21 2kmi h TRP 87 Cb 0.08 -0.26 -0.10 0.00 -0.86 0.00 0.00 29.16 28.02 2kmi h TRP 87 CO 0.00 0.20 0.62 1.96 -1.05 0.00 0.00 178.44 180.18 2kmi h GLN 88 N 0.69 0.77 0.35 0.49 1.08 -1.56 -1.73 115.11 115.20 2kmi h GLN 88 Ca 0.51 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.65 2kmi h GLN 88 Cb 0.76 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2kmi h GLN 88 CO -0.37 0.51 -0.17 0.78 -0.95 0.00 0.00 178.83 178.63 2kmi h GLY 89 N 0.80 -0.50 0.45 3.46 0.00 -1.06 -2.98 103.07 103.24 2kmi h GLY 89 Ca 0.56 0.18 0.23 0.00 0.00 0.00 0.00 47.33 48.30 2kmi h GLY 89 CO -0.36 -0.18 0.56 1.48 0.00 0.00 0.00 176.54 178.04 2kmi h SER 90 N -0.77 0.00 -0.46 0.19 4.64 -1.25 -1.12 113.55 114.77 2kmi h SER 90 Ca -0.05 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.36 2kmi h SER 90 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.52 2kmi h SER 90 CO 0.08 0.00 -0.05 0.25 -0.87 0.00 0.00 176.83 176.24 2kmi h LEU 91 N 0.00 -0.31 -1.21 5.97 6.46 -1.17 0.25 115.31 125.31 2kmi h LEU 91 Ca 0.37 0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 58.18 2kmi h LEU 91 Cb 1.48 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.64 2kmi h LEU 91 CO -0.00 -0.11 -0.30 0.15 -0.62 0.00 0.00 178.44 177.56 2kmi h PHE 92 N 0.06 0.18 0.55 1.25 3.04 -1.30 -3.24 116.94 117.48 2kmi h PHE 92 Ca 0.23 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 2kmi h PHE 92 Cb 0.34 -0.05 0.01 0.00 2.56 0.00 0.00 35.95 38.81 2kmi h PHE 92 CO -0.34 0.45 -0.27 -0.97 -2.02 0.00 0.00 178.31 175.16 2kmi h ASN 93 N 0.15 -0.63 0.00 0.41 -1.24 -0.89 -3.43 115.58 109.95 2kmi h ASN 93 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2kmi h ASN 93 Cb 0.61 0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2kmi h ASN 93 CO 0.04 -0.23 0.00 0.00 -1.29 0.00 0.00 177.43 175.96 2kmi n ALA 94 N -2.72 2.36 -2.67 1.57 0.00 0.68 -1.35 120.51 118.38 2kmi n ALA 94 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 2kmi n ALA 94 Cb 0.29 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.85 2kmi n ALA 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kmi n ASN 95 N -1.54 -1.26 -3.33 0.00 5.15 -1.19 -4.87 115.26 108.23 2kmi n ASN 95 Ca 0.00 -1.90 -0.36 0.00 -0.60 0.00 0.00 54.58 51.72 2kmi n ASN 95 Cb 0.00 1.13 0.04 0.00 -0.53 0.00 0.00 39.78 40.41 2kmi n ASN 95 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kmi n TYR 96 N 0.59 -2.42 -3.08 1.20 4.11 -1.23 -4.85 117.16 111.47 2kmi n TYR 96 Ca -0.05 1.02 -0.43 0.00 -0.00 0.00 0.00 57.90 58.44 2kmi n TYR 96 Cb 0.75 -1.60 -0.06 0.00 -0.00 0.00 0.00 39.34 38.44 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2kmi s ASP 97 N -1.33 6.27 0.02 9.48 1.11 -1.25 -4.99 116.67 125.98 2kmi s ASP 97 Ca 0.35 -0.67 0.05 0.00 0.18 0.00 0.00 52.55 52.46 2kmi s ASP 97 Cb -0.04 -2.33 -0.02 0.00 1.07 0.00 0.00 42.92 41.61 2kmi s ASP 97 CO 0.79 -0.93 -0.14 0.54 1.18 0.00 0.00 175.17 176.61 2kmi s VAL 98 N 2.93 1.09 -0.14 -1.27 0.11 -1.26 -2.68 120.40 119.18 2kmi s VAL 98 Ca 0.20 -0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 58.30 2kmi s VAL 98 Cb -0.17 -0.96 0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2kmi s VAL 98 CO 0.15 0.12 0.36 -1.58 -3.33 0.00 0.00 175.10 170.82 2kmi s GLN 99 N -0.82 0.40 -0.02 1.54 -0.44 0.28 -4.94 119.66 115.65 2kmi s GLN 99 Ca 0.03 0.57 -0.05 0.00 -2.50 0.00 0.00 55.36 53.40 2kmi s GLN 99 Cb -0.07 0.12 0.01 0.00 -1.64 0.00 0.00 33.01 31.43 2kmi s GLN 99 CO 0.01 -0.08 0.12 -0.98 0.50 0.00 0.00 175.29 174.85 2kmi s ARG 100 N 0.56 0.30 -0.00 1.67 3.03 -1.23 -0.29 118.95 122.99 2kmi s ARG 100 Ca -0.03 -0.12 0.00 0.00 2.03 0.00 0.00 55.73 57.62 2kmi s ARG 100 Cb -0.05 0.13 -0.00 0.00 -1.03 0.00 0.00 34.95 34.00 2kmi s ARG 100 CO -0.03 -0.06 -0.00 0.12 -1.13 0.00 0.00 175.30 174.19 2kmi s PHE 101 N -0.64 0.03 -0.11 5.89 5.36 -0.68 -4.58 117.98 123.26 2kmi s PHE 101 Ca -0.07 -0.01 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2kmi s PHE 101 Cb -0.04 -0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 2kmi s PHE 101 CO 0.01 -0.00 -0.07 0.42 -1.46 0.00 0.00 175.22 174.11 2kmi s ILE 102 N -0.02 0.98 -0.08 3.12 1.01 -1.26 -1.18 121.20 123.77 2kmi s ILE 102 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 2kmi s ILE 102 Cb -0.00 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.50 2kmi s ILE 102 CO -0.00 0.36 0.18 0.68 0.00 0.00 0.00 174.94 176.16 2kmi s VAL 103 N 1.68 -0.04 0.00 2.92 -7.23 -1.12 -4.89 120.40 111.72 2kmi s VAL 103 Ca 0.04 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 2kmi s VAL 103 Cb -0.13 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.53 2kmi s VAL 103 CO -0.07 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2kmi n GLY 104 N 4.04 1.28 0.66 2.32 0.00 -1.26 -3.11 105.19 109.12 2kmi n GLY 104 Ca -0.24 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 6.32 2.53 -4.24 1.61 7.64 -1.26 -4.96 113.62 121.26 2kmi n SER 105 Ca 0.00 -1.73 -0.26 0.00 1.01 0.00 0.00 58.87 57.89 2kmi n SER 105 Cb 0.00 -0.10 -0.14 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.13 2.44 0.03 6.43 1.47 -1.18 -4.36 116.67 120.37 2kmi s ASP 106 Ca 0.21 -0.48 0.07 0.00 1.18 0.00 0.00 52.55 53.53 2kmi s ASP 106 Cb 0.13 -0.22 -0.02 0.00 -0.34 0.00 0.00 42.92 42.47 2kmi s ASP 106 CO 0.19 0.18 -0.20 0.00 0.68 0.00 0.00 175.17 176.02 2kmi s ARG 107 N -0.99 1.44 0.06 2.11 3.03 -1.20 -2.81 118.95 120.58 2kmi s ARG 107 Ca 0.07 -0.88 0.10 0.00 2.03 0.00 0.00 55.73 57.05 2kmi s ARG 107 Cb -0.09 -1.50 -0.03 0.00 -1.03 0.00 0.00 34.95 32.30 2kmi s ARG 107 CO 0.01 0.39 -0.26 0.00 -1.13 0.00 0.00 175.30 174.31 2kmi s ALA 108 N -0.71 2.30 -0.05 7.88 0.00 -0.33 -3.03 121.76 127.82 2kmi s ALA 108 Ca 0.07 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2kmi s ALA 108 Cb -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2kmi s ALA 108 CO 0.01 0.54 -0.11 -1.50 0.00 0.00 0.00 175.76 174.69 2kmi s ILE 109 N -0.87 1.03 -0.06 0.00 1.10 -0.36 -1.68 121.20 120.37 2kmi s ILE 109 Ca 0.12 -0.45 0.02 0.00 -0.51 0.00 0.00 60.65 59.83 2kmi s ILE 109 Cb -0.10 -0.94 0.02 0.00 0.15 0.00 0.00 42.46 41.59 2kmi s ILE 109 CO 0.03 0.32 -0.10 0.12 -2.11 0.00 0.00 174.94 173.21 2kmi s PHE 110 N 0.49 1.21 -0.15 3.50 5.36 0.60 -2.30 117.98 126.70 2kmi s PHE 110 Ca -0.10 -0.42 -0.10 0.00 -0.96 0.00 0.00 56.93 55.35 2kmi s PHE 110 Cb -0.13 -0.92 0.05 0.00 -0.34 0.00 0.00 43.02 41.67 2kmi s PHE 110 CO 0.02 -0.24 0.36 0.00 -1.46 0.00 0.00 175.22 173.90 2kmi s MET 111 N 0.74 0.37 -0.03 10.12 0.23 -1.16 -0.56 119.30 129.01 2kmi s MET 111 Ca -0.14 0.63 -0.15 0.00 -1.03 0.00 0.00 55.69 55.01 2kmi s MET 111 Cb -0.15 0.05 0.03 0.00 -1.53 0.00 0.00 34.83 33.22 2kmi s MET 111 CO 0.03 -0.12 0.34 -1.17 -2.03 0.00 0.00 175.02 172.06 2kmi s LEU 112 N 0.91 0.74 0.56 0.18 1.98 -1.09 -2.99 118.68 118.97 2kmi s LEU 112 Ca -0.06 0.22 0.24 0.00 -2.89 0.00 0.00 54.13 51.64 2kmi s LEU 112 Cb -0.06 1.33 1.55 0.00 0.66 0.00 0.00 46.19 49.66 2kmi s LEU 112 CO -0.07 -0.40 2.17 0.08 -1.89 0.00 0.00 176.35 176.23 2kmi h ARG 113 N 4.09 0.00 0.00 1.98 0.11 -1.83 -3.32 114.38 115.40 2kmi h ARG 113 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2kmi h ARG 113 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kmi h ARG 113 CO 0.38 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.20 2kmi n ASP 114 N -4.15 0.00 0.00 0.08 8.00 -1.26 -3.39 116.55 115.83 2kmi n ASP 114 Ca -0.01 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2kmi n ASP 114 Cb 0.17 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 2kmi n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kmi n GLY 115 N 2.06 1.96 0.19 0.44 0.00 -1.25 -4.68 105.19 103.91 2kmi n GLY 115 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2kmi n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kmi h SER 116 N 0.00 -0.34 -0.34 1.61 0.02 -1.96 0.24 113.55 112.79 2kmi h SER 116 Ca 0.00 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2kmi h SER 116 Cb 0.00 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2kmi h SER 116 CO 0.00 -0.17 -0.05 0.22 -1.14 0.00 0.00 176.83 175.69 2kmi h TYR 117 N -0.48 0.79 0.00 3.45 3.20 -1.98 -2.60 116.97 119.35 2kmi h TYR 117 Ca -0.04 -0.12 -0.10 0.00 3.14 0.00 0.00 58.73 61.60 2kmi h TYR 117 Cb 0.36 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2kmi h TYR 117 CO -0.03 0.77 -0.50 0.00 -1.64 0.00 0.00 178.16 176.76 2kmi h ALA 118 N 1.26 1.17 -0.82 1.82 0.00 -1.87 -2.96 119.26 117.87 2kmi h ALA 118 Ca 0.13 -0.45 0.24 0.00 0.00 0.00 0.00 54.91 54.82 2kmi h ALA 118 Cb 0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2kmi h ALA 118 CO 0.03 0.62 0.59 2.35 0.00 0.00 0.00 179.25 182.84 2kmi h TRP 119 N 0.00 0.01 0.61 0.00 2.91 -0.10 0.27 115.95 119.65 2kmi h TRP 119 Ca -0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 2kmi h TRP 119 Cb 0.88 -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 -0.30 1.49 -1.03 0.00 0.00 178.44 178.61 2kmi h GLU 120 N 0.01 -0.80 0.00 2.65 4.81 -1.63 -3.08 114.58 116.54 2kmi h GLU 120 Ca 0.39 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.57 2kmi h GLU 120 Cb 1.56 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 2kmi h GLU 120 CO -0.01 -0.48 -0.50 0.82 -0.73 0.00 0.00 179.01 178.11 2kmi h ILE 121 N -1.00 1.36 -0.93 2.32 1.08 -1.48 -3.01 117.51 115.85 2kmi h ILE 121 Ca -0.08 -1.70 0.20 0.00 -0.39 0.00 0.00 64.86 62.88 2kmi h ILE 121 Cb 0.68 1.92 -0.08 0.00 -3.07 0.00 0.00 36.82 36.27 2kmi h ILE 121 CO 0.14 0.49 0.61 0.50 -0.69 0.00 0.00 178.15 179.19 2kmi h LYS 122 N 0.00 0.49 -0.98 2.37 3.11 -0.45 0.51 116.57 121.62 2kmi h LYS 122 Ca -0.00 -0.03 0.15 0.00 -2.81 0.00 0.00 60.65 57.96 2kmi h LYS 122 Cb 0.88 -0.11 -0.09 0.00 -1.00 0.00 0.00 32.23 31.90 2kmi h LYS 122 CO 0.06 0.32 0.60 0.22 -2.81 0.00 0.00 179.45 177.85 2kmi h ASP 123 N 0.51 0.82 -0.05 4.20 3.58 -1.44 -0.18 116.42 123.85 2kmi h ASP 123 Ca 0.50 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 58.00 2kmi h ASP 123 Cb 1.10 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2kmi h ASP 123 CO -0.23 0.37 -0.06 -0.26 -2.88 0.00 0.00 179.24 176.18 2kmi h PHE 124 N 0.85 0.16 0.48 0.28 -1.00 -1.09 -2.08 116.94 114.54 2kmi h PHE 124 Ca 0.53 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 61.24 2kmi h PHE 124 Cb 0.68 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 2kmi h PHE 124 CO -0.02 0.60 -0.52 -0.07 -1.61 0.00 0.00 178.31 176.70 2kmi h LEU 125 N -0.33 -1.43 -2.00 1.54 3.38 -1.14 -1.70 115.31 113.64 2kmi h LEU 125 Ca 0.01 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2kmi h LEU 125 Cb 0.58 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2kmi h LEU 125 CO 0.01 -0.67 0.25 1.62 0.09 0.00 0.00 178.44 179.75 2kmi h VAL 126 N -1.00 0.82 -0.81 1.22 3.04 -1.16 -0.89 116.25 117.47 2kmi h VAL 126 Ca -0.06 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.86 2kmi h VAL 126 Cb 0.88 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.95 2kmi h VAL 126 CO -0.08 0.00 0.58 -1.28 -1.01 0.00 0.00 177.57 175.78 2kmi h SER 127 N 0.00 0.02 -0.08 3.17 0.87 -0.56 -0.51 113.55 116.46 2kmi h SER 127 Ca 0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2kmi h SER 127 Cb 0.67 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2kmi h SER 127 CO -0.00 0.01 0.03 1.56 -0.53 0.00 0.00 176.83 177.89 2kmi h GLN 128 N 0.02 0.11 -1.09 2.24 1.08 -1.14 -3.46 115.11 112.87 2kmi h GLN 128 Ca 0.39 -0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 57.21 2kmi h GLN 128 Cb 1.52 -0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 28.81 2kmi h GLN 128 CO -0.01 0.25 -0.34 -3.47 -0.95 0.00 0.00 178.83 174.31 2kmi n ASP 129 N -4.93 -5.12 -2.67 1.46 2.03 -0.20 -4.81 116.55 102.31 2kmi n ASP 129 Ca -0.06 0.37 -0.04 0.00 0.52 0.00 0.00 54.79 55.57 2kmi n ASP 129 Cb 0.12 -4.17 0.09 0.00 -0.72 0.00 0.00 41.12 36.44 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kmi n ARG 130 N -2.52 0.19 -3.75 -0.67 0.63 -0.57 -4.61 116.66 105.35 2kmi n ARG 130 Ca -0.18 -0.78 -0.13 0.00 -0.92 0.00 0.00 57.85 55.84 2kmi n ARG 130 Cb 0.59 -0.28 -0.09 0.00 0.45 0.00 0.00 32.46 33.12 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kmi s ALA 132 N -0.57 2.67 -0.02 0.00 0.00 -1.26 -2.41 121.76 120.16 2kmi s ALA 132 Ca -0.07 -1.66 0.02 0.00 0.00 0.00 0.00 51.96 50.25 2kmi s ALA 132 Cb -0.04 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2kmi s ALA 132 CO 0.03 -1.08 -0.05 -2.00 0.00 0.00 0.00 175.76 172.65 2kmi s GLU 133 N 1.21 0.56 -0.14 0.00 2.12 0.89 -3.30 118.70 120.04 2kmi s GLU 133 Ca -0.05 -0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 2kmi s GLU 133 Cb -0.19 -0.56 0.04 0.00 0.26 0.00 0.00 34.13 33.68 2kmi s GLU 133 CO -0.04 0.06 0.36 0.54 -0.54 0.00 0.00 175.26 175.64 2kmi s VAL 134 N 0.21 -0.01 -0.17 3.70 0.11 -1.26 -1.36 120.40 121.62 2kmi s VAL 134 Ca -0.02 0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.01 2kmi s VAL 134 Cb -0.06 -0.52 0.08 0.00 -1.53 0.00 0.00 36.38 34.35 2kmi s VAL 134 CO -0.00 0.02 0.35 0.42 -3.33 0.00 0.00 175.10 172.56 2kmi s THR 135 N 0.59 -0.55 -0.17 5.04 -4.23 -0.57 -4.49 115.64 111.26 2kmi s THR 135 Ca -0.03 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 2kmi s THR 135 Cb -0.05 -0.58 0.08 0.00 1.34 0.00 0.00 72.50 73.29 2kmi s THR 135 CO -0.04 0.08 0.36 -1.48 -0.54 0.00 0.00 174.62 173.01 2kmi s LEU 136 N 2.53 -0.40 0.10 4.79 0.05 -1.26 -3.18 118.68 121.32 2kmi s LEU 136 Ca -0.00 0.83 -0.12 0.00 0.05 0.00 0.00 54.13 54.90 2kmi s LEU 136 Cb -0.12 1.12 0.01 0.00 -2.05 0.00 0.00 46.19 45.15 2kmi s LEU 136 CO -0.11 -0.22 0.27 -0.70 -0.55 0.00 0.00 176.35 175.04 2kmi s GLU 137 N 2.29 0.93 -0.42 1.48 2.56 -1.25 -5.03 118.70 119.25 2kmi s GLU 137 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 54.97 54.17 2kmi s GLU 137 Cb -0.11 0.39 0.27 0.00 2.00 0.00 0.00 34.13 36.68 2kmi s GLU 137 CO -0.11 -0.32 0.70 0.41 -0.56 0.00 0.00 175.26 175.38 2kmi n GLY 138 N -0.11 2.11 3.45 -1.50 0.00 -1.26 -1.33 105.19 106.55 2kmi n GLY 138 Ca -0.15 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.83 3.63 -1.61 1.61 2.00 -1.26 -4.41 119.66 118.79 2kmi s GLN 139 Ca 0.34 -0.50 0.00 0.00 -2.00 0.00 0.00 55.36 53.20 2kmi s GLN 139 Cb 0.23 -3.35 0.00 0.00 0.80 0.00 0.00 33.01 30.69 2kmi s GLN 139 CO -0.13 -0.21 0.00 -1.33 -0.50 0.00 0.00 175.29 173.12 2kmi n MET 140 N 4.93 -1.32 -3.10 1.67 2.81 -1.26 -3.35 117.12 117.49 2kmi n MET 140 Ca -0.16 0.94 -0.01 0.00 -1.81 0.00 0.00 57.70 56.65 2kmi n MET 140 Cb 0.51 -5.32 0.00 0.00 -0.71 0.00 0.00 33.22 27.70 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kmi n TYR 141 N -3.47 -2.93 -1.92 2.03 4.01 -1.26 -4.71 117.16 108.91 2kmi n TYR 141 Ca -0.19 1.12 -0.31 0.00 -0.16 0.00 0.00 57.90 58.36 2kmi n TYR 141 Cb 0.63 -4.04 -0.06 0.00 -0.31 0.00 0.00 39.34 35.55 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 -1.83 1.58 0.00 -0.72 -0.04 -1.21 -4.13 135.00 128.65 2kmi n PRO 142 Ca -0.02 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2kmi n PRO 142 Cb 0.51 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 2kmi n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kmi n GLY 143 N 5.59 0.72 3.63 0.55 0.00 -1.24 -3.30 105.19 111.14 2kmi n GLY 143 Ca 0.46 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.85 2kmi n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 144 N 0.00 1.62 0.00 1.61 5.02 -1.26 -3.86 118.16 121.29 2kmi n LYS 144 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 2kmi n LYS 144 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29