#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 1.00 -0.03 2.89 0.00 -1.26 -4.41 118.16 116.35 2kmi n LYS 2 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2kmi n LYS 2 Cb 0.00 -0.90 -0.14 0.00 -0.00 0.00 0.00 35.03 33.99 2kmi n LYS 2 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2kmi n LYS 3 N -2.12 0.66 -2.59 -1.58 2.85 -1.26 -4.51 118.16 109.61 2kmi n LYS 3 Ca 0.00 0.02 -0.14 0.00 -1.05 0.00 0.00 58.31 57.13 2kmi n LYS 3 Cb 0.40 -1.62 0.02 0.00 -0.65 0.00 0.00 35.03 33.19 2kmi n LYS 3 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2kmi n LYS 4 N -2.66 2.03 -1.26 -1.58 2.85 -1.26 -4.58 118.16 111.70 2kmi n LYS 4 Ca -0.17 -3.71 -0.36 0.00 -1.05 0.00 0.00 58.31 53.01 2kmi n LYS 4 Cb 0.89 -1.64 -0.02 0.00 -0.65 0.00 0.00 35.03 33.61 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 -0.28 6.29 -4.55 -5.58 -0.08 -1.25 -4.84 116.55 106.26 2kmi n ASP 5 Ca 0.20 -2.58 -0.24 0.00 -1.51 0.00 0.00 54.79 50.66 2kmi n ASP 5 Cb 0.78 -1.44 -0.09 0.00 2.34 0.00 0.00 41.12 42.71 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 2.93 2.95 -1.00 5.18 -5.25 -1.26 -4.35 121.20 120.40 2kmi s ILE 6 Ca 0.57 -2.16 -0.08 0.00 -0.99 0.00 0.00 60.65 57.99 2kmi s ILE 6 Cb 0.15 -2.56 -0.13 0.00 2.95 0.00 0.00 42.46 42.87 2kmi s ILE 6 CO -0.04 -0.38 3.14 0.54 -1.79 0.00 0.00 174.94 176.41 2kmi n ARG 7 N -0.73 3.13 -3.91 0.37 5.12 -1.26 -4.63 116.66 114.76 2kmi n ARG 7 Ca -0.06 -1.89 -0.25 0.00 -1.93 0.00 0.00 57.85 53.72 2kmi n ARG 7 Cb 0.59 -2.48 -0.01 0.00 -1.16 0.00 0.00 32.46 29.40 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kmi n ASP 8 N 2.95 -0.74 -3.38 0.55 8.00 -1.26 -2.00 116.55 120.68 2kmi n ASP 8 Ca 0.64 -0.99 -0.18 0.00 0.71 0.00 0.00 54.79 54.98 2kmi n ASP 8 Cb 0.48 -3.18 0.07 0.00 -0.02 0.00 0.00 41.12 38.47 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 -4.38 -2.29 0.00 1.24 4.02 -1.26 -4.97 117.16 109.52 2kmi n TYR 9 Ca -0.30 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.43 2kmi n TYR 9 Cb 0.68 -4.34 0.00 0.00 -0.02 0.00 0.00 39.34 35.66 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kmi n ASN 10 N -3.13 0.00 -2.72 7.72 5.15 -0.85 -5.04 115.26 116.39 2kmi n ASN 10 Ca -0.15 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.75 2kmi n ASN 10 Cb 0.64 -0.02 0.09 0.00 -0.53 0.00 0.00 39.78 39.96 2kmi n ASN 10 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kmi n ASP 11 N -1.78 -2.14 0.01 1.20 8.00 -1.26 -4.99 116.55 115.58 2kmi n ASP 11 Ca 0.00 -3.31 -0.08 0.00 0.71 0.00 0.00 54.79 52.12 2kmi n ASP 11 Cb 0.00 1.72 0.10 0.00 -0.02 0.00 0.00 41.12 42.92 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 2.75 0.81 -0.96 2.24 0.00 -1.93 -3.09 119.26 119.07 2kmi h ALA 12 Ca -0.16 -0.47 0.14 0.00 0.00 0.00 0.00 54.91 54.42 2kmi h ALA 12 Cb 1.14 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 2kmi h ALA 12 CO 0.08 0.66 0.58 0.38 0.00 0.00 0.00 179.25 180.96 2kmi h ASP 13 N 0.41 0.81 0.27 0.00 3.04 -1.94 0.24 116.42 119.25 2kmi h ASP 13 Ca 0.02 0.07 -0.02 0.00 -3.24 0.00 0.00 57.03 53.86 2kmi h ASP 13 Cb 0.98 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 39.18 2kmi h ASP 13 CO 0.09 0.39 -0.11 -0.03 -2.04 0.00 0.00 179.24 177.53 2kmi h MET 14 N 0.87 0.00 0.00 4.15 4.05 -1.77 -1.38 114.93 120.85 2kmi h MET 14 Ca 0.50 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.91 2kmi h MET 14 Cb 0.60 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.40 2kmi h MET 14 CO -0.31 0.11 -0.08 0.00 0.23 0.00 0.00 176.91 176.86 2kmi h ALA 15 N 1.89 1.03 -0.20 0.39 0.00 -0.61 -2.88 119.26 118.88 2kmi h ALA 15 Ca -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kmi h ALA 15 Cb 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kmi h ALA 15 CO 0.01 0.10 0.24 -0.09 0.00 0.00 0.00 179.25 179.52 2kmi h ARG 16 N 0.00 0.00 -0.05 0.00 1.12 -1.18 0.39 114.38 114.67 2kmi h ARG 16 Ca -0.00 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 2kmi h ARG 16 Cb 0.57 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.53 2kmi h ARG 16 CO 0.01 0.00 0.10 1.37 -3.11 0.00 0.00 179.97 178.34 2kmi h LEU 17 N 0.00 0.00 -1.97 3.80 8.10 -1.69 -1.59 115.31 121.96 2kmi h LEU 17 Ca 0.09 0.00 0.20 0.00 0.11 0.00 0.00 57.88 58.28 2kmi h LEU 17 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.77 2kmi h LEU 17 CO -0.00 0.00 0.55 -0.07 -4.11 0.00 0.00 178.44 174.81 2kmi h LEU 18 N 0.00 0.00 -2.02 0.17 4.07 -1.16 0.18 115.31 116.55 2kmi h LEU 18 Ca 0.02 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.12 2kmi h LEU 18 Cb 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2kmi h LEU 18 CO -0.00 0.00 0.40 -0.08 -1.08 0.00 0.00 178.44 177.68 2kmi h GLU 19 N 0.00 0.00 0.00 1.13 4.57 -1.51 0.26 114.58 119.03 2kmi h GLU 19 Ca 0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 2kmi h GLU 19 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2kmi h GLU 19 CO -0.00 0.00 0.00 -0.56 -1.18 0.00 0.00 179.01 177.27 2kmi h GLN 20 N 0.00 0.00 -1.00 1.92 -0.00 -0.77 -2.32 115.11 112.94 2kmi h GLN 20 Ca 0.22 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 59.00 2kmi h GLN 20 Cb 1.02 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.42 2kmi h GLN 20 CO -0.00 0.00 0.63 2.35 -0.00 0.00 0.00 178.83 181.80 2kmi h TRP 21 N 0.00 1.13 0.06 0.06 7.01 -0.66 -2.83 115.95 120.73 2kmi h TRP 21 Ca 0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2kmi h TRP 21 Cb 0.04 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 26.74 2kmi h TRP 21 CO 0.00 0.43 -0.03 1.49 -2.79 0.00 0.00 178.44 177.54 2kmi h GLU 22 N 0.97 -0.08 -6.16 2.65 4.57 -1.62 -3.47 114.58 111.45 2kmi h GLU 22 Ca 0.50 0.01 -0.39 0.00 -1.18 0.00 0.00 59.36 58.30 2kmi h GLU 22 Cb 0.53 0.02 -0.20 0.00 -0.16 0.00 0.00 28.75 28.94 2kmi h GLU 22 CO -0.28 0.48 -0.57 0.36 -1.18 0.00 0.00 179.01 177.82 2kmi n LYS 23 N -4.78 -2.10 0.18 1.92 2.85 -1.07 -4.77 118.16 110.39 2kmi n LYS 23 Ca -0.07 0.19 0.08 0.00 -1.05 0.00 0.00 58.31 57.47 2kmi n LYS 23 Cb 0.29 -4.79 0.10 0.00 -0.65 0.00 0.00 35.03 29.99 2kmi n LYS 23 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2kmi h ASP 24 N -0.68 0.00 -2.31 -5.58 3.32 -1.85 -3.47 116.42 105.84 2kmi h ASP 24 Ca -0.39 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.31 2kmi h ASP 24 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2kmi h ASP 24 CO 0.56 0.18 -0.43 -0.67 -1.72 0.00 0.00 179.24 177.16 2kmi n ASP 25 N -3.10 -5.08 -0.16 6.45 2.03 -1.26 -4.85 116.55 110.58 2kmi n ASP 25 Ca 0.03 0.03 0.27 0.00 0.52 0.00 0.00 54.79 55.63 2kmi n ASP 25 Cb 0.61 -4.16 0.71 0.00 -0.72 0.00 0.00 41.12 37.55 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kmi h ASP 26 N 0.00 0.03 -5.26 1.67 3.32 -1.76 -3.41 116.42 111.00 2kmi h ASP 26 Ca -0.41 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.27 2kmi h ASP 26 Cb 1.29 -0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.90 2kmi h ASP 26 CO 0.49 0.01 0.07 2.30 -1.72 0.00 0.00 179.24 180.39 2kmi n ILE 27 N -4.30 0.00 0.00 0.35 -6.64 -1.26 -5.09 119.36 102.42 2kmi n ILE 27 Ca 0.17 -1.31 0.00 0.00 -1.77 0.00 0.00 62.75 59.84 2kmi n ILE 27 Cb 0.90 -0.93 0.00 0.00 -1.44 0.00 0.00 39.64 38.17 2kmi n ILE 27 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 2kmi n GLU 28 N -2.41 0.00 -3.44 6.28 2.13 -1.26 -5.10 120.64 116.84 2kmi n GLU 28 Ca 0.13 0.12 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 2kmi n GLU 28 Cb 0.48 -0.60 -0.02 0.00 0.27 0.00 0.00 31.44 31.56 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 -0.95 1.19 0.00 5.31 2.12 -1.26 -5.06 118.70 120.05 2kmi s GLU 29 Ca 0.00 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 54.92 2kmi s GLU 29 Cb 0.00 0.55 0.00 0.00 0.26 0.00 0.00 34.13 34.94 2kmi s GLU 29 CO 0.00 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 2kmi n GLY 30 N -0.29 0.25 3.63 -1.50 0.00 -1.24 -4.74 105.19 101.30 2kmi n GLY 30 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2kmi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kmi s ASP 31 N -1.71 6.42 0.26 1.61 2.15 -1.26 -2.22 116.67 121.92 2kmi s ASP 31 Ca 0.00 1.51 0.10 0.00 0.43 0.00 0.00 52.55 54.59 2kmi s ASP 31 Cb 0.00 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2kmi s ASP 31 CO 0.00 -1.24 -0.16 -0.76 -0.17 0.00 0.00 175.17 172.83 2kmi s LEU 32 N 5.10 2.58 -0.89 -1.34 1.43 -1.26 -5.04 118.68 119.26 2kmi s LEU 32 Ca 0.68 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 52.49 2kmi s LEU 32 Cb -0.23 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 2kmi s LEU 32 CO 0.28 -0.08 1.94 -2.16 0.23 0.00 0.00 176.35 176.57 2kmi s PRO 33 N -3.58 2.56 0.54 1.29 0.04 -1.26 -4.96 135.00 129.63 2kmi s PRO 33 Ca 0.27 -0.27 -0.20 0.00 0.04 0.00 0.00 61.00 60.85 2kmi s PRO 33 Cb -0.02 -5.04 -0.06 0.00 0.04 0.00 0.00 34.50 29.41 2kmi s PRO 33 CO 0.12 -3.35 1.14 -2.00 0.04 0.00 0.00 177.00 172.95 2kmi s GLU 34 N 7.00 3.36 0.87 4.56 2.56 -1.26 -5.04 118.70 130.74 2kmi s GLU 34 Ca 0.70 1.65 -0.10 0.00 0.00 0.00 0.00 54.97 57.22 2kmi s GLU 34 Cb -0.07 -2.04 0.18 0.00 2.00 0.00 0.00 34.13 34.20 2kmi s GLU 34 CO -0.00 -0.85 1.20 -1.58 -0.56 0.00 0.00 175.26 173.46 2kmi s HIS 35 N -1.73 1.51 -0.22 5.30 2.46 -1.26 -5.09 115.29 116.27 2kmi s HIS 35 Ca 0.72 0.05 0.00 0.00 0.47 0.00 0.00 55.06 56.30 2kmi s HIS 35 Cb -0.25 -3.68 0.06 0.00 -0.13 0.00 0.00 32.58 28.58 2kmi s HIS 35 CO 0.28 -2.31 -0.05 -1.59 -2.47 0.00 0.00 174.74 168.60 2kmi s LYS 36 N -5.60 1.56 0.29 2.88 -2.85 -1.26 -4.96 119.74 109.79 2kmi s LYS 36 Ca 0.71 -0.85 0.11 0.00 -1.00 0.00 0.00 55.97 54.95 2kmi s LYS 36 Cb -0.04 -2.44 -0.05 0.00 -2.06 0.00 0.00 37.83 33.24 2kmi s LYS 36 CO 0.50 -0.56 -0.16 1.03 0.10 0.00 0.00 175.35 176.26 2kmi s ARG 37 N 1.47 1.79 0.66 1.78 3.00 -1.22 -5.05 118.95 121.38 2kmi s ARG 37 Ca -0.04 -1.74 -0.15 0.00 0.00 0.00 0.00 55.73 53.80 2kmi s ARG 37 Cb -0.18 -1.82 -0.00 0.00 0.00 0.00 0.00 34.95 32.95 2kmi s ARG 37 CO -0.07 0.31 1.11 -1.25 0.00 0.00 0.00 175.30 175.40 2kmi s PRO 38 N -3.55 2.82 0.33 3.54 0.04 -1.26 -3.30 135.00 133.61 2kmi s PRO 38 Ca 0.31 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2kmi s PRO 38 Cb -0.04 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2kmi s PRO 38 CO 0.16 -1.24 0.61 -1.12 0.04 0.00 0.00 177.00 175.45 2kmi s SER 39 N -2.55 6.43 -0.25 6.66 0.01 -1.26 -3.45 113.70 119.28 2kmi s SER 39 Ca 0.67 0.77 -0.37 0.00 1.31 0.00 0.00 55.95 58.33 2kmi s SER 39 Cb -0.21 -2.17 0.15 0.00 0.21 0.00 0.00 66.02 64.01 2kmi s SER 39 CO 0.41 -0.27 1.33 0.00 0.41 0.00 0.00 173.24 175.12 2kmi s ALA 40 N -2.21 -2.18 -0.02 1.44 0.00 -1.26 -4.95 121.76 112.58 2kmi s ALA 40 Ca 0.45 1.78 -0.30 0.00 0.00 0.00 0.00 51.96 53.89 2kmi s ALA 40 Cb -0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 2kmi s ALA 40 CO 0.32 -0.58 1.46 -1.25 0.00 0.00 0.00 175.76 175.71 2kmi s PRO 41 N -2.15 4.25 -0.01 0.00 0.04 -1.26 -4.08 135.00 131.78 2kmi s PRO 41 Ca 0.11 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2kmi s PRO 41 Cb -0.01 -3.68 0.01 0.00 0.04 0.00 0.00 34.50 30.86 2kmi s PRO 41 CO -0.03 -0.66 -0.02 -1.50 0.04 0.00 0.00 177.00 174.82 2kmi s ILE 42 N 2.89 0.21 0.06 0.56 1.10 -1.26 -5.04 121.20 119.72 2kmi s ILE 42 Ca 0.66 -0.06 -0.01 0.00 -0.51 0.00 0.00 60.65 60.72 2kmi s ILE 42 Cb -0.32 -0.22 -0.04 0.00 0.15 0.00 0.00 42.46 42.03 2kmi s ILE 42 CO 0.26 0.09 -0.02 -1.81 -2.11 0.00 0.00 174.94 171.35 2kmi s ASP 43 N 0.25 0.47 0.26 4.50 1.11 -1.26 -4.08 116.67 117.93 2kmi s ASP 43 Ca -0.02 -1.02 0.11 0.00 0.18 0.00 0.00 52.55 51.79 2kmi s ASP 43 Cb -0.05 0.21 0.32 0.00 1.07 0.00 0.00 42.92 44.47 2kmi s ASP 43 CO -0.01 -0.61 1.58 0.15 1.18 0.00 0.00 175.17 177.46 2kmi h PHE 44 N 3.12 0.00 0.00 4.23 3.57 -1.64 -3.31 116.94 122.92 2kmi h PHE 44 Ca -0.34 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.08 2kmi h PHE 44 Cb 1.15 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.71 2kmi h PHE 44 CO 0.52 0.64 -0.69 0.43 -2.23 0.00 0.00 178.31 176.97 2kmi n SER 45 N -3.71 1.04 -2.94 0.41 7.64 -1.26 -5.06 113.62 109.73 2kmi n SER 45 Ca -0.01 -2.49 -0.03 0.00 1.01 0.00 0.00 58.87 57.35 2kmi n SER 45 Cb 0.65 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kmi n LYS 46 N -0.14 -2.22 -3.55 1.43 5.02 -1.25 -5.01 118.16 112.44 2kmi n LYS 46 Ca 0.08 1.97 -0.29 0.00 -2.02 0.00 0.00 58.31 58.05 2kmi n LYS 46 Cb 0.90 -3.73 -0.14 0.00 -0.02 0.00 0.00 35.03 32.04 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 -1.57 1.15 0.04 -0.35 1.43 -1.26 -5.05 118.68 113.07 2kmi s LEU 47 Ca 0.05 -1.82 -0.27 0.00 -1.03 0.00 0.00 54.13 51.06 2kmi s LEU 47 Cb -0.01 -0.50 0.09 0.00 0.03 0.00 0.00 46.19 45.80 2kmi s LEU 47 CO 0.53 -0.37 0.81 1.51 0.23 0.00 0.00 176.35 179.06 2kmi s ASP 48 N 1.46 -0.42 0.91 2.29 -4.77 -1.26 -4.96 116.67 109.92 2kmi s ASP 48 Ca 0.13 -0.00 -0.12 0.00 -3.30 0.00 0.00 52.55 49.26 2kmi s ASP 48 Cb -0.20 0.45 0.14 0.00 -1.09 0.00 0.00 42.92 42.22 2kmi s ASP 48 CO -0.17 -0.72 1.09 -2.16 0.70 0.00 0.00 175.17 173.91 2kmi s PRO 49 N -3.30 1.13 -0.21 2.11 0.04 -1.26 -4.98 135.00 128.53 2kmi s PRO 49 Ca 0.04 0.77 0.15 0.00 0.04 0.00 0.00 61.00 62.01 2kmi s PRO 49 Cb -0.01 -1.80 0.56 0.00 0.04 0.00 0.00 34.50 33.30 2kmi s PRO 49 CO -0.10 -2.32 1.48 0.41 0.04 0.00 0.00 177.00 176.51 2kmi n GLY 50 N -1.12 4.05 3.43 0.56 0.00 -1.26 -5.04 105.19 105.81 2kmi n GLY 50 Ca 0.07 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 2kmi n GLY 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kmi n LYS 51 N -0.49 0.01 -1.18 1.61 2.85 -1.26 -4.96 118.16 114.74 2kmi n LYS 51 Ca 0.25 0.05 -0.29 0.00 -1.05 0.00 0.00 58.31 57.26 2kmi n LYS 51 Cb 0.97 -1.83 0.16 0.00 -0.65 0.00 0.00 35.03 33.67 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kmi s PRO 52 N -3.19 0.82 0.36 -1.58 0.04 -1.26 -4.80 135.00 125.39 2kmi s PRO 52 Ca 0.61 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.38 2kmi s PRO 52 Cb -0.28 -1.77 0.69 0.00 0.04 0.00 0.00 34.50 33.19 2kmi s PRO 52 CO 0.63 -2.50 1.89 1.05 0.04 0.00 0.00 177.00 178.11 2kmi h GLU 53 N -1.73 0.36 0.58 4.56 4.11 -1.97 -0.66 114.58 119.83 2kmi h GLU 53 Ca -0.52 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 58.80 2kmi h GLU 53 Cb 1.31 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2kmi h GLU 53 CO 0.56 0.46 -0.28 1.03 0.07 0.00 0.00 179.01 180.85 2kmi h SER 54 N 0.34 -0.66 0.03 3.06 0.87 -2.01 -0.53 113.55 114.66 2kmi h SER 54 Ca 0.07 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 2kmi h SER 54 Cb 0.37 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2kmi h SER 54 CO 0.02 -0.47 -0.30 0.40 -0.53 0.00 0.00 176.83 175.95 2kmi h ILE 55 N -0.79 1.27 0.00 2.23 1.08 -1.91 -2.69 117.51 116.71 2kmi h ILE 55 Ca -0.08 -1.33 -0.05 0.00 -0.39 0.00 0.00 64.86 63.01 2kmi h ILE 55 Cb 0.60 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2kmi h ILE 55 CO 0.13 0.41 -0.23 0.25 -0.69 0.00 0.00 178.15 178.03 2kmi h LEU 56 N 0.36 0.00 -1.43 1.44 6.46 -0.93 -2.59 115.31 118.61 2kmi h LEU 56 Ca 0.05 0.00 0.18 0.00 -0.12 0.00 0.00 57.88 57.99 2kmi h LEU 56 Cb 0.71 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.57 2kmi h LEU 56 CO 0.05 0.23 0.58 0.50 -0.62 0.00 0.00 178.44 179.18 2kmi h LYS 57 N 0.00 0.49 -0.41 1.25 3.64 -0.74 0.22 116.57 121.02 2kmi h LYS 57 Ca -0.00 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.47 2kmi h LYS 57 Cb 0.42 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2kmi h LYS 57 CO 0.03 0.32 0.36 1.98 -2.27 0.00 0.00 179.45 179.87 2kmi h MET 58 N 0.50 0.00 -5.01 1.90 4.05 -1.60 -3.37 114.93 111.40 2kmi h MET 58 Ca 0.46 0.00 -0.66 0.00 -0.28 0.00 0.00 59.70 59.22 2kmi h MET 58 Cb 0.99 0.00 -0.29 0.00 -0.80 0.00 0.00 31.60 31.50 2kmi h MET 58 CO -0.19 0.00 -0.75 0.99 0.23 0.00 0.00 176.91 177.19 2kmi s THR 59 N -4.78 3.11 -0.08 -0.77 2.01 0.76 -5.09 115.64 110.80 2kmi s THR 59 Ca -0.05 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 2kmi s THR 59 Cb 0.17 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.33 2kmi s THR 59 CO 0.62 0.45 0.16 -1.59 -0.69 0.00 0.00 174.62 173.57 2kmi s LYS 60 N 1.42 0.06 0.54 4.92 0.00 -1.26 -4.94 119.74 120.48 2kmi s LYS 60 Ca 0.05 0.51 0.02 0.00 0.00 0.00 0.00 55.97 56.55 2kmi s LYS 60 Cb -0.14 -0.23 0.02 0.00 0.00 0.00 0.00 37.83 37.48 2kmi s LYS 60 CO -0.05 -0.26 0.12 1.17 0.00 0.00 0.00 175.35 176.33 2kmi n LYS 61 N 4.95 0.70 -2.66 1.78 3.00 -1.26 -5.10 118.16 119.58 2kmi n LYS 61 Ca -0.12 -3.76 -0.02 0.00 -0.00 0.00 0.00 58.31 54.40 2kmi n LYS 61 Cb 0.50 0.84 0.12 0.00 0.00 0.00 0.00 35.03 36.49 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 -1.46 -1.70 3.16 3.14 0.00 -1.26 -4.89 105.19 102.18 2kmi n GLY 62 Ca -0.16 0.95 -0.10 0.00 0.00 0.00 0.00 46.02 46.70 2kmi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 63 N 0.02 0.26 0.13 1.61 1.02 -1.26 -3.96 119.74 117.55 2kmi s LYS 63 Ca 0.20 0.92 0.07 0.00 0.02 0.00 0.00 55.97 57.18 2kmi s LYS 63 Cb 0.30 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 2kmi s LYS 63 CO -0.22 -0.27 -0.03 -0.08 -0.92 0.00 0.00 175.35 173.83 2kmi s THR 64 N 2.54 3.68 -0.21 2.17 -1.32 -1.25 -4.31 115.64 116.94 2kmi s THR 64 Ca -0.00 -1.27 -0.02 0.00 -1.21 0.00 0.00 61.69 59.18 2kmi s THR 64 Cb -0.12 -2.79 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 2kmi s THR 64 CO -0.11 0.01 -0.10 -1.48 -2.21 0.00 0.00 174.62 170.73 2kmi s LEU 65 N -2.56 2.62 -0.30 9.08 2.34 -1.26 -4.55 118.68 124.05 2kmi s LEU 65 Ca 0.25 -0.49 -0.06 0.00 0.06 0.00 0.00 54.13 53.89 2kmi s LEU 65 Cb -0.10 -1.64 0.17 0.00 -0.56 0.00 0.00 46.19 44.05 2kmi s LEU 65 CO 0.17 -0.01 0.66 -0.32 -1.06 0.00 0.00 176.35 175.78 2kmi s MET 66 N 1.41 0.54 -0.22 1.48 1.75 -1.20 -3.83 119.30 119.24 2kmi s MET 66 Ca 0.05 1.13 -0.16 0.00 -1.25 0.00 0.00 55.69 55.47 2kmi s MET 66 Cb -0.14 0.66 0.06 0.00 2.84 0.00 0.00 34.83 38.25 2kmi s MET 66 CO -0.07 -0.42 0.55 1.41 -0.65 0.00 0.00 175.02 175.84 2kmi s MET 67 N 2.86 0.59 -0.11 4.11 0.00 -1.19 -0.04 119.30 125.52 2kmi s MET 67 Ca 0.09 0.89 -0.01 0.00 0.00 0.00 0.00 55.69 56.66 2kmi s MET 67 Cb -0.13 0.17 0.03 0.00 0.00 0.00 0.00 34.83 34.90 2kmi s MET 67 CO -0.20 -0.12 -0.05 -0.06 0.00 0.00 0.00 175.02 174.59 2kmi s PHE 68 N 0.96 1.29 0.01 4.11 0.08 0.04 -2.90 117.98 121.56 2kmi s PHE 68 Ca -0.05 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.30 2kmi s PHE 68 Cb -0.05 -1.13 -0.00 0.00 -0.57 0.00 0.00 43.02 41.27 2kmi s PHE 68 CO -0.08 -0.48 0.12 0.08 -0.10 0.00 0.00 175.22 174.76 2kmi s VAL 69 N 1.77 0.09 -0.38 -0.44 1.01 -0.71 -0.07 120.40 121.67 2kmi s VAL 69 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2kmi s VAL 69 Cb -0.13 -0.46 0.24 0.00 0.00 0.00 0.00 36.38 36.03 2kmi s VAL 69 CO -0.07 -0.40 1.07 1.07 0.00 0.00 0.00 175.10 176.76 2kmi n THR 70 N 1.40 0.00 -3.60 3.92 5.66 0.85 -1.37 114.28 121.13 2kmi n THR 70 Ca -0.23 -0.65 -0.02 0.00 -3.05 0.00 0.00 64.05 60.09 2kmi n THR 70 Cb 0.56 0.95 -0.02 0.00 -1.55 0.00 0.00 70.33 70.28 2kmi n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kmi s VAL 71 N 0.61 0.00 -0.25 1.08 0.11 -1.16 -1.14 120.40 119.66 2kmi s VAL 71 Ca 0.27 -0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 2kmi s VAL 71 Cb 0.16 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.67 2kmi s VAL 71 CO -0.11 0.00 0.79 -0.94 -3.33 0.00 0.00 175.10 171.51 2kmi s SER 72 N -2.44 6.78 0.00 3.54 1.04 -1.26 -3.27 113.70 118.09 2kmi s SER 72 Ca 0.11 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2kmi s SER 72 Cb 0.01 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2kmi s SER 72 CO -0.04 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2kmi n GLY 73 N 3.84 1.33 2.67 7.32 0.00 -1.26 -3.69 105.19 115.40 2kmi n GLY 73 Ca 0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 2kmi n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmi n ASN 74 N 0.00 -1.41 -4.58 1.61 5.15 -1.26 -4.30 115.26 110.48 2kmi n ASN 74 Ca 0.00 -1.53 -0.41 0.00 -0.60 0.00 0.00 54.58 52.05 2kmi n ASN 74 Cb 0.00 0.75 -0.03 0.00 -0.53 0.00 0.00 39.78 39.98 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2kmi s PRO 75 N 0.44 3.02 -0.34 1.20 0.04 -1.26 -3.99 135.00 134.11 2kmi s PRO 75 Ca 0.25 0.97 0.14 0.00 0.04 0.00 0.00 61.00 62.41 2kmi s PRO 75 Cb 0.18 -4.27 0.43 0.00 0.04 0.00 0.00 34.50 30.87 2kmi s PRO 75 CO -0.10 -2.24 1.35 0.25 0.04 0.00 0.00 177.00 176.30 2kmi n THR 76 N 7.28 0.32 -0.01 1.26 -2.24 -1.26 -4.95 114.28 114.67 2kmi n THR 76 Ca 0.21 -1.69 0.15 0.00 -2.27 0.00 0.00 64.05 60.45 2kmi n THR 76 Cb 0.49 1.01 0.60 0.00 -2.10 0.00 0.00 70.33 70.33 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 1.79 0.18 0.74 -0.78 -0.00 -1.86 -1.67 114.58 112.98 2kmi h GLU 77 Ca -0.31 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.00 2kmi h GLU 77 Cb 1.28 -0.04 0.01 0.00 -0.00 0.00 0.00 28.75 30.00 2kmi h GLU 77 CO -0.02 0.12 -0.35 -0.22 -0.00 0.00 0.00 179.01 178.54 2kmi h LYS 78 N 0.19 -0.95 -0.50 1.06 3.64 -1.98 -3.01 116.57 115.02 2kmi h LYS 78 Ca 0.24 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 2kmi h LYS 78 Cb 0.69 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2kmi h LYS 78 CO -0.04 -0.64 0.36 0.93 -2.27 0.00 0.00 179.45 177.80 2kmi h GLU 79 N -1.25 0.00 0.19 1.90 5.08 -1.89 -2.22 114.58 116.40 2kmi h GLU 79 Ca -0.10 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2kmi h GLU 79 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2kmi h GLU 79 CO 0.17 0.00 -0.30 1.15 -1.00 0.00 0.00 179.01 179.03 2kmi h THR 80 N 0.00 0.36 -0.89 1.13 2.02 -1.18 -1.94 112.91 112.41 2kmi h THR 80 Ca 0.24 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.56 2kmi h THR 80 Cb 0.96 0.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 2kmi h THR 80 CO -0.00 0.00 0.58 -0.08 0.37 0.00 0.00 175.52 176.38 2kmi h GLU 81 N -0.57 0.70 -0.01 6.66 4.81 -1.33 0.24 114.58 125.08 2kmi h GLU 81 Ca 0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kmi h GLU 81 Cb 0.56 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2kmi h GLU 81 CO -0.13 0.46 0.02 0.93 -0.73 0.00 0.00 179.01 179.56 2kmi h GLU 82 N 0.72 0.00 -0.36 1.92 3.07 -1.31 -1.34 114.58 117.28 2kmi h GLU 82 Ca 0.45 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.18 2kmi h GLU 82 Cb 0.68 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2kmi h GLU 82 CO -0.21 0.00 -0.29 0.82 -1.40 0.00 0.00 179.01 177.94 2kmi h ILE 83 N 0.00 1.28 -0.95 3.13 2.04 -0.29 -2.94 117.51 119.78 2kmi h ILE 83 Ca 0.00 -1.42 0.23 0.00 1.00 0.00 0.00 64.86 64.67 2kmi h ILE 83 Cb 0.04 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 2kmi h ILE 83 CO -0.00 0.47 0.63 0.74 0.00 0.00 0.00 178.15 179.99 2kmi h THR 84 N 0.64 0.62 0.06 -0.27 2.02 -1.30 -1.23 112.91 113.45 2kmi h THR 84 Ca 0.08 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2kmi h THR 84 Cb 0.81 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2kmi h THR 84 CO 0.07 0.07 -0.03 -1.28 0.37 0.00 0.00 175.52 174.72 2kmi h SER 85 N 0.36 -0.06 -0.86 4.18 0.87 -1.64 -3.15 113.55 113.25 2kmi h SER 85 Ca 0.50 -0.48 0.22 0.00 -1.23 0.00 0.00 61.79 60.80 2kmi h SER 85 Cb 1.33 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.25 2kmi h SER 85 CO -0.19 0.47 0.59 -0.07 -0.53 0.00 0.00 176.83 177.11 2kmi h LEU 86 N -0.63 0.22 -0.81 2.23 3.38 -1.26 -0.25 115.31 118.19 2kmi h LEU 86 Ca -0.01 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.14 2kmi h LEU 86 Cb 0.54 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 2kmi h LEU 86 CO 0.01 0.09 0.37 -0.25 0.09 0.00 0.00 178.44 178.75 2kmi h TRP 87 N 0.22 0.64 -1.06 1.13 7.01 -1.32 1.00 115.95 123.57 2kmi h TRP 87 Ca 0.43 0.04 0.28 0.00 2.11 0.00 0.00 58.89 61.75 2kmi h TRP 87 Cb 1.35 -0.16 -0.08 0.00 -2.10 0.00 0.00 29.16 28.17 2kmi h TRP 87 CO -0.00 0.10 0.70 1.96 -2.79 0.00 0.00 178.44 178.41 2kmi h GLN 88 N 0.52 0.30 0.24 2.65 1.08 -1.16 -1.11 115.11 117.63 2kmi h GLN 88 Ca 0.45 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.62 2kmi h GLN 88 Cb 0.68 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2kmi h GLN 88 CO -0.40 0.20 -0.11 0.78 -0.95 0.00 0.00 178.83 178.35 2kmi h GLY 89 N 0.31 -0.33 0.58 3.46 0.00 -0.94 -3.21 103.07 102.95 2kmi h GLY 89 Ca 0.59 0.12 0.17 0.00 0.00 0.00 0.00 47.33 48.21 2kmi h GLY 89 CO -0.24 -0.12 0.53 0.23 0.00 0.00 0.00 176.54 176.93 2kmi h SER 90 N -0.84 0.32 -0.74 0.19 0.87 -1.20 -1.02 113.55 111.13 2kmi h SER 90 Ca -0.03 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 2kmi h SER 90 Cb 0.51 -0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.33 2kmi h SER 90 CO 0.05 0.15 0.24 0.25 -0.53 0.00 0.00 176.83 177.00 2kmi h LEU 91 N 0.33 0.15 -0.89 2.23 6.46 -1.24 0.17 115.31 122.52 2kmi h LEU 91 Ca 0.39 0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 58.16 2kmi h LEU 91 Cb 1.02 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 2kmi h LEU 91 CO -0.11 0.03 -0.50 0.15 -0.62 0.00 0.00 178.44 177.39 2kmi h PHE 92 N 0.35 0.16 0.86 1.25 3.04 -1.28 -3.27 116.94 118.05 2kmi h PHE 92 Ca 0.41 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.27 2kmi h PHE 92 Cb 0.67 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2kmi h PHE 92 CO -0.21 0.61 -0.49 -0.97 -2.02 0.00 0.00 178.31 175.23 2kmi h ASN 93 N 0.11 -1.22 0.00 0.41 -1.24 -0.58 -3.45 115.58 109.61 2kmi h ASN 93 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2kmi h ASN 93 Cb 0.92 0.34 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2kmi h ASN 93 CO 0.07 -0.78 0.00 0.00 -1.29 0.00 0.00 177.43 175.44 2kmi n ALA 94 N -2.71 2.10 -2.65 1.57 0.00 -0.83 -1.65 120.51 116.33 2kmi n ALA 94 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2kmi n ALA 94 Cb 0.51 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.55 -1.01 -2.44 0.00 0.23 -1.25 -4.94 115.26 104.30 2kmi n ASN 95 Ca 0.00 -1.51 -0.05 0.00 -0.53 0.00 0.00 54.58 52.49 2kmi n ASN 95 Cb 0.00 0.89 -0.04 0.00 -2.08 0.00 0.00 39.78 38.55 2kmi n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kmi n TYR 96 N 0.72 -3.94 -3.00 -2.53 9.36 -1.26 -4.95 117.16 111.57 2kmi n TYR 96 Ca -0.06 2.30 -0.32 0.00 3.32 0.00 0.00 57.90 63.14 2kmi n TYR 96 Cb 0.76 -3.62 -0.03 0.00 -0.63 0.00 0.00 39.34 35.81 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2kmi n ASP 97 N 1.49 5.11 -4.11 2.98 8.00 -1.25 -5.02 116.55 123.75 2kmi n ASP 97 Ca -0.37 -3.60 -0.21 0.00 0.71 0.00 0.00 54.79 51.31 2kmi n ASP 97 Cb 0.58 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.75 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 -3.80 1.07 0.03 2.53 1.01 -1.26 -2.01 120.40 117.97 2kmi s VAL 98 Ca 0.43 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2kmi s VAL 98 Cb 0.21 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2kmi s VAL 98 CO -0.08 0.23 -0.14 -1.10 0.00 0.00 0.00 175.10 174.01 2kmi s GLN 99 N -0.51 0.96 0.03 2.72 1.11 0.47 -4.88 119.66 119.56 2kmi s GLN 99 Ca 0.04 -0.73 0.05 0.00 0.01 0.00 0.00 55.36 54.73 2kmi s GLN 99 Cb -0.06 -0.97 -0.02 0.00 -1.01 0.00 0.00 33.01 30.95 2kmi s GLN 99 CO -0.00 0.24 -0.15 0.50 0.01 0.00 0.00 175.29 175.90 2kmi s ARG 100 N -1.04 0.99 -0.09 2.91 3.52 -1.26 -1.91 118.95 122.07 2kmi s ARG 100 Ca 0.02 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 2kmi s ARG 100 Cb -0.08 -1.00 0.04 0.00 -1.56 0.00 0.00 34.95 32.36 2kmi s ARG 100 CO 0.01 0.25 0.19 0.12 -0.81 0.00 0.00 175.30 175.06 2kmi s PHE 101 N -0.78 -0.24 -0.11 5.12 5.36 -0.90 -3.81 117.98 122.62 2kmi s PHE 101 Ca 0.02 0.63 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 2kmi s PHE 101 Cb -0.08 -0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.56 2kmi s PHE 101 CO 0.01 -0.22 -0.07 0.42 -1.46 0.00 0.00 175.22 173.90 2kmi s ILE 102 N 1.49 1.00 -0.16 3.12 1.01 -1.26 -0.71 121.20 125.69 2kmi s ILE 102 Ca -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 2kmi s ILE 102 Cb -0.11 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.39 2kmi s ILE 102 CO -0.07 0.35 0.36 -0.69 0.00 0.00 0.00 174.94 174.90 2kmi s VAL 103 N 1.72 -0.19 0.00 2.92 1.01 -1.14 -5.05 120.40 119.67 2kmi s VAL 103 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2kmi s VAL 103 Cb -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2kmi s VAL 103 CO -0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2kmi n GLY 104 N 4.58 1.19 0.79 4.51 0.00 -1.26 -3.13 105.19 111.88 2kmi n GLY 104 Ca -0.19 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 5.87 2.85 -4.22 1.61 7.64 -1.26 -4.95 113.62 121.17 2kmi n SER 105 Ca 0.00 -1.84 -0.28 0.00 1.01 0.00 0.00 58.87 57.77 2kmi n SER 105 Cb 0.00 -0.17 -0.16 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 -1.18 2.47 0.08 6.43 1.47 -1.18 -4.33 116.67 120.42 2kmi s ASP 106 Ca 0.26 -0.39 0.08 0.00 1.18 0.00 0.00 52.55 53.68 2kmi s ASP 106 Cb 0.16 -0.37 -0.03 0.00 -0.34 0.00 0.00 42.92 42.33 2kmi s ASP 106 CO 0.22 0.24 -0.21 -0.13 0.68 0.00 0.00 175.17 175.97 2kmi s ARG 107 N -0.38 1.24 0.06 2.11 0.52 -1.20 -2.90 118.95 118.39 2kmi s ARG 107 Ca 0.05 -1.06 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2kmi s ARG 107 Cb -0.09 -1.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.91 2kmi s ARG 107 CO 0.00 0.35 -0.26 0.00 0.02 0.00 0.00 175.30 175.41 2kmi s ALA 108 N -0.99 2.28 -0.02 2.13 0.00 0.11 -2.98 121.76 122.28 2kmi s ALA 108 Ca 0.07 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2kmi s ALA 108 Cb -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2kmi s ALA 108 CO 0.03 0.54 -0.04 -1.50 0.00 0.00 0.00 175.76 174.79 2kmi s ILE 109 N -0.84 0.38 -0.05 0.00 1.10 -0.47 -2.12 121.20 119.20 2kmi s ILE 109 Ca 0.12 -0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.13 2kmi s ILE 109 Cb -0.10 -0.39 0.03 0.00 0.15 0.00 0.00 42.46 42.16 2kmi s ILE 109 CO 0.03 0.15 0.07 0.12 -2.11 0.00 0.00 174.94 173.20 2kmi s PHE 110 N 0.49 0.04 -0.03 3.50 2.19 -0.80 -1.74 117.98 121.62 2kmi s PHE 110 Ca -0.06 0.28 0.01 0.00 0.33 0.00 0.00 56.93 57.50 2kmi s PHE 110 Cb -0.09 -0.46 0.01 0.00 -1.31 0.00 0.00 43.02 41.17 2kmi s PHE 110 CO -0.00 -0.21 -0.05 0.00 1.83 0.00 0.00 175.22 176.78 2kmi s MET 111 N 2.18 0.76 -0.02 10.12 0.23 -1.14 -0.40 119.30 131.03 2kmi s MET 111 Ca 0.05 -0.14 -0.16 0.00 -1.03 0.00 0.00 55.69 54.40 2kmi s MET 111 Cb -0.12 -0.75 0.03 0.00 -1.53 0.00 0.00 34.83 32.45 2kmi s MET 111 CO -0.04 -0.02 0.35 -1.17 -2.03 0.00 0.00 175.02 172.12 2kmi s LEU 112 N 0.61 0.70 0.22 0.18 1.98 -0.85 -3.19 118.68 118.33 2kmi s LEU 112 Ca -0.08 0.17 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2kmi s LEU 112 Cb -0.11 1.39 0.20 0.00 0.66 0.00 0.00 46.19 48.32 2kmi s LEU 112 CO 0.00 -0.45 1.58 0.08 -1.89 0.00 0.00 176.35 175.67 2kmi h ARG 113 N 3.83 0.59 0.00 1.98 0.11 -1.83 -3.35 114.38 115.71 2kmi h ARG 113 Ca -0.29 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.49 2kmi h ARG 113 Cb 1.17 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kmi h ARG 113 CO 0.39 0.89 -0.04 -0.44 0.10 0.00 0.00 179.97 180.87 2kmi h ASP 114 N 0.48 0.00 0.00 0.08 5.19 -1.93 -3.39 116.42 116.85 2kmi h ASP 114 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2kmi h ASP 114 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 2kmi h ASP 114 CO 0.08 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 177.06 2kmi n GLY 115 N 1.86 1.16 0.37 2.75 0.00 -1.26 -4.67 105.19 105.41 2kmi n GLY 115 Ca -0.01 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 0.71 0.20 1.61 0.02 -1.96 0.25 113.55 114.39 2kmi h SER 116 Ca 0.00 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2kmi h SER 116 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2kmi h SER 116 CO 0.00 0.28 -0.52 0.22 -1.14 0.00 0.00 176.83 175.67 2kmi h TYR 117 N 0.71 -1.49 0.00 3.45 3.20 -2.01 -2.16 116.97 118.67 2kmi h TYR 117 Ca 0.54 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.34 2kmi h TYR 117 Cb 0.92 0.62 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 2kmi h TYR 117 CO -0.00 -0.61 -0.50 0.00 -1.64 0.00 0.00 178.16 175.41 2kmi h ALA 118 N -0.64 1.14 -0.90 1.82 0.00 -1.78 -2.98 119.26 115.92 2kmi h ALA 118 Ca -0.02 -0.45 0.26 0.00 0.00 0.00 0.00 54.91 54.69 2kmi h ALA 118 Cb 0.77 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2kmi h ALA 118 CO -0.24 0.62 0.64 2.35 0.00 0.00 0.00 179.25 182.63 2kmi h TRP 119 N 0.00 0.06 1.00 0.00 2.91 0.13 0.25 115.95 120.30 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 0.90 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2kmi h TRP 119 CO 0.00 0.01 -0.48 1.49 -1.03 0.00 0.00 178.44 178.43 2kmi h GLU 120 N 0.04 -1.30 -0.18 2.65 4.81 -1.32 -2.73 114.58 116.56 2kmi h GLU 120 Ca 0.43 0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.61 2kmi h GLU 120 Cb 1.66 0.29 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 2kmi h GLU 120 CO -0.03 -0.86 -0.47 0.82 -0.73 0.00 0.00 179.01 177.74 2kmi h ILE 121 N -1.34 1.32 -0.81 2.32 2.04 -1.53 -2.95 117.51 116.56 2kmi h ILE 121 Ca -0.14 -1.68 0.23 0.00 1.00 0.00 0.00 64.86 64.28 2kmi h ILE 121 Cb 1.03 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2kmi h ILE 121 CO 0.22 0.52 0.58 0.50 0.00 0.00 0.00 178.15 179.97 2kmi h LYS 122 N 0.36 0.00 -0.16 2.37 1.63 -0.48 -1.48 116.57 118.81 2kmi h LYS 122 Ca 0.02 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.87 2kmi h LYS 122 Cb 0.96 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.53 2kmi h LYS 122 CO 0.08 0.00 -0.29 0.22 -3.45 0.00 0.00 179.45 176.02 2kmi h ASP 123 N 0.00 -0.90 0.51 4.20 1.82 -1.30 0.19 116.42 120.94 2kmi h ASP 123 Ca 0.38 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 57.06 2kmi h ASP 123 Cb 1.55 0.39 -0.02 0.00 0.68 0.00 0.00 39.33 41.93 2kmi h ASP 123 CO -0.00 -0.33 -0.50 0.15 -1.61 0.00 0.00 179.24 176.95 2kmi h PHE 124 N -0.34 0.00 0.81 0.28 3.04 -1.48 -2.88 116.94 116.36 2kmi h PHE 124 Ca 0.11 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 2kmi h PHE 124 Cb 0.51 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.03 2kmi h PHE 124 CO -0.39 0.50 -0.39 1.25 -2.02 0.00 0.00 178.31 177.26 2kmi h LEU 125 N 0.00 -0.92 -2.00 0.59 5.85 -0.85 -2.97 115.31 115.01 2kmi h LEU 125 Ca -0.01 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.89 2kmi h LEU 125 Cb 0.89 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2kmi h LEU 125 CO 0.07 -0.56 0.36 1.62 -0.34 0.00 0.00 178.44 179.59 2kmi h VAL 126 N -1.29 0.74 -0.83 1.05 3.04 -0.73 -0.38 116.25 117.84 2kmi h VAL 126 Ca -0.11 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.81 2kmi h VAL 126 Cb 0.83 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 2kmi h VAL 126 CO 0.18 0.00 0.59 -1.28 -1.01 0.00 0.00 177.57 176.05 2kmi h SER 127 N 0.00 0.03 -0.64 3.17 0.87 -1.33 0.48 113.55 116.12 2kmi h SER 127 Ca 0.23 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2kmi h SER 127 Cb 0.95 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 2kmi h SER 127 CO -0.00 0.01 0.42 -0.61 -0.53 0.00 0.00 176.83 176.12 2kmi h GLN 128 N 0.03 0.83 -0.70 2.24 5.75 -1.13 -3.46 115.11 118.67 2kmi h GLN 128 Ca 0.40 -0.05 -0.30 0.00 -0.15 0.00 0.00 58.65 58.55 2kmi h GLN 128 Cb 1.54 -0.19 -0.12 0.00 1.07 0.00 0.00 27.48 29.78 2kmi h GLN 128 CO -0.02 0.55 -0.27 -3.47 -2.65 0.00 0.00 178.83 172.97 2kmi n ASP 129 N -4.65 -5.17 -2.73 -0.69 2.03 0.16 -4.84 116.55 100.65 2kmi n ASP 129 Ca 0.05 0.36 -0.07 0.00 0.52 0.00 0.00 54.79 55.66 2kmi n ASP 129 Cb 0.03 -3.95 0.05 0.00 -0.72 0.00 0.00 41.12 36.53 2kmi n ASP 129 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kmi n ARG 130 N -2.04 0.61 -3.75 -0.67 1.74 -0.29 -4.48 116.66 107.79 2kmi n ARG 130 Ca -0.15 -1.54 -0.13 0.00 -0.77 0.00 0.00 57.85 55.26 2kmi n ARG 130 Cb 0.55 -1.19 -0.09 0.00 -1.02 0.00 0.00 32.46 30.70 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kmi s ALA 132 N -0.57 0.57 -0.06 0.00 0.00 -1.26 -0.11 121.76 120.33 2kmi s ALA 132 Ca -0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 2kmi s ALA 132 Cb -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.09 2kmi s ALA 132 CO 0.03 -1.07 0.29 -1.21 0.00 0.00 0.00 175.76 173.79 2kmi s GLU 133 N 2.06 0.50 0.02 0.00 2.02 0.90 -3.62 118.70 120.58 2kmi s GLU 133 Ca 0.02 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.09 2kmi s GLU 133 Cb -0.16 0.23 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 2kmi s GLU 133 CO -0.08 -0.11 -0.05 0.54 0.02 0.00 0.00 175.26 175.58 2kmi s VAL 134 N -0.63 0.32 -0.07 2.63 0.11 -0.94 -0.78 120.40 121.03 2kmi s VAL 134 Ca -0.07 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2kmi s VAL 134 Cb -0.04 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2kmi s VAL 134 CO 0.02 -0.18 0.02 -0.89 -3.33 0.00 0.00 175.10 170.74 2kmi s THR 135 N -0.75 0.27 -0.17 5.04 2.01 0.94 -4.30 115.64 118.68 2kmi s THR 135 Ca -0.06 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2kmi s THR 135 Cb -0.06 -0.46 0.08 0.00 0.01 0.00 0.00 72.50 72.07 2kmi s THR 135 CO -0.00 0.23 0.35 -1.48 -0.69 0.00 0.00 174.62 173.03 2kmi s LEU 136 N 2.02 -0.50 0.23 4.42 0.05 -1.26 -3.21 118.68 120.41 2kmi s LEU 136 Ca 0.05 0.82 0.09 0.00 0.05 0.00 0.00 54.13 55.14 2kmi s LEU 136 Cb -0.12 1.08 -0.05 0.00 -2.05 0.00 0.00 46.19 45.05 2kmi s LEU 136 CO -0.05 -0.24 -0.16 -1.61 -0.55 0.00 0.00 176.35 173.75 2kmi s GLU 137 N 2.53 1.43 0.00 1.48 0.41 -1.26 -5.00 118.70 118.29 2kmi s GLU 137 Ca -0.00 -1.64 0.25 0.00 -0.41 0.00 0.00 54.97 53.16 2kmi s GLU 137 Cb -0.12 -1.31 0.54 0.00 -1.78 0.00 0.00 34.13 31.47 2kmi s GLU 137 CO -0.11 0.23 1.44 0.41 -0.49 0.00 0.00 175.26 176.73 2kmi n GLY 138 N -0.45 -1.00 3.21 -1.39 0.00 -1.26 -3.97 105.19 100.32 2kmi n GLY 138 Ca -0.07 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.57 2kmi n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kmi s GLN 139 N -2.82 0.82 -0.31 1.61 -0.21 -1.25 -4.40 119.66 113.09 2kmi s GLN 139 Ca 0.15 -0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.15 2kmi s GLN 139 Cb 0.18 0.10 0.19 0.00 1.00 0.00 0.00 33.01 34.48 2kmi s GLN 139 CO 0.65 -1.19 1.11 1.41 -2.12 0.00 0.00 175.29 175.14 2kmi s MET 140 N 1.84 0.09 -0.56 2.91 1.75 -1.21 -3.39 119.30 120.73 2kmi s MET 140 Ca 0.16 -0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.53 2kmi s MET 140 Cb -0.04 0.01 0.01 0.00 2.84 0.00 0.00 34.83 37.65 2kmi s MET 140 CO -0.07 -0.13 0.61 0.66 -0.65 0.00 0.00 175.02 175.44 2kmi n TYR 141 N 3.79 -2.93 -0.03 4.11 4.01 -1.22 -4.48 117.16 120.41 2kmi n TYR 141 Ca 0.05 1.15 -0.13 0.00 -0.16 0.00 0.00 57.90 58.81 2kmi n TYR 141 Cb 0.63 -3.90 -0.09 0.00 -0.31 0.00 0.00 39.34 35.68 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2kmi h PRO 142 N 0.99 0.15 0.00 -0.72 0.13 -1.80 -3.36 132.00 127.39 2kmi h PRO 142 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2kmi h PRO 142 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kmi h PRO 142 CO 0.24 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2kmi n GLY 143 N 0.20 2.70 3.62 1.56 0.00 -1.26 -4.43 105.19 107.58 2kmi n GLY 143 Ca -0.07 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2kmi n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmi s LYS 144 N 0.00 4.00 0.00 1.61 2.36 -1.24 -4.08 119.74 122.39 2kmi s LYS 144 Ca 0.00 0.75 0.00 0.00 -2.55 0.00 0.00 55.97 54.17 2kmi s LYS 144 Cb 0.00 -3.73 0.00 0.00 -1.05 0.00 0.00 37.83 33.05 2kmi s LYS 144 CO 0.00 -0.74 0.20 0.41 1.55 0.00 0.00 175.35 176.77