#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 -0.03 5.56 2.85 -1.26 -4.96 118.16 120.32 2kmi n LYS 2 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 2kmi n LYS 2 Cb 0.00 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.24 2kmi n LYS 2 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2kmi n LYS 3 N -0.31 0.66 -1.11 -1.58 5.02 -1.26 -4.28 118.16 115.30 2kmi n LYS 3 Ca 0.00 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.05 2kmi n LYS 3 Cb 0.00 -1.62 0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2kmi n LYS 3 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kmi n LYS 4 N -2.66 2.24 -1.73 1.97 5.02 -1.26 -3.66 118.16 118.07 2kmi n LYS 4 Ca -0.17 -2.42 -0.41 0.00 -2.02 0.00 0.00 58.31 53.29 2kmi n LYS 4 Cb 0.89 -1.95 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kmi n ASP 5 N -0.29 6.42 -4.98 4.39 2.03 -1.26 -4.92 116.55 117.94 2kmi n ASP 5 Ca 0.46 -2.84 -0.22 0.00 0.52 0.00 0.00 54.79 52.71 2kmi n ASP 5 Cb 0.63 -1.55 0.03 0.00 -0.72 0.00 0.00 41.12 39.51 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmi s ILE 6 N 1.66 2.04 -0.62 5.18 -4.36 -1.26 -4.62 121.20 119.22 2kmi s ILE 6 Ca 0.55 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 2kmi s ILE 6 Cb 0.15 -2.23 0.42 0.00 1.25 0.00 0.00 42.46 42.06 2kmi s ILE 6 CO -0.06 0.00 1.78 0.54 0.24 0.00 0.00 174.94 177.43 2kmi n ARG 7 N -2.02 2.96 -2.03 0.37 5.12 -1.26 -4.83 116.66 114.96 2kmi n ARG 7 Ca 0.09 -3.64 -0.17 0.00 -1.93 0.00 0.00 57.85 52.19 2kmi n ARG 7 Cb 0.62 -2.28 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 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 -0.74 -5.12 -2.35 0.55 2.03 -1.26 -4.23 116.55 105.43 2kmi n ASP 8 Ca 0.55 0.15 -0.03 0.00 0.52 0.00 0.00 54.79 55.97 2kmi n ASP 8 Cb 0.61 -4.19 -0.03 0.00 -0.72 0.00 0.00 41.12 36.80 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kmi n TYR 9 N -3.45 -4.10 0.07 -0.67 4.01 -1.26 -5.02 117.16 106.73 2kmi n TYR 9 Ca -0.20 2.41 0.00 0.00 -0.16 0.00 0.00 57.90 59.96 2kmi n TYR 9 Cb 0.63 -3.65 0.00 0.00 -0.31 0.00 0.00 39.34 36.01 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kmi n ASN 10 N 1.55 -1.23 -2.60 7.72 2.85 -1.26 -5.01 115.26 117.28 2kmi n ASN 10 Ca -0.23 0.47 -0.02 0.00 -0.11 0.00 0.00 54.58 54.68 2kmi n ASN 10 Cb 0.36 1.40 0.12 0.00 1.24 0.00 0.00 39.78 42.90 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kmi n ASP 11 N -2.79 -1.43 -0.23 1.20 2.03 -1.26 -4.98 116.55 109.08 2kmi n ASP 11 Ca 0.00 -2.17 -0.08 0.00 0.52 0.00 0.00 54.79 53.06 2kmi n ASP 11 Cb 0.00 0.69 0.04 0.00 -0.72 0.00 0.00 41.12 41.13 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 1.06 0.88 -0.96 -1.67 0.00 -1.95 -2.79 119.26 113.84 2kmi h ALA 12 Ca -0.41 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.43 2kmi h ALA 12 Cb 1.28 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2kmi h ALA 12 CO -0.17 0.67 0.61 0.38 0.00 0.00 0.00 179.25 180.75 2kmi h ASP 13 N 1.03 0.54 -0.71 0.00 3.04 -1.93 0.22 116.42 118.61 2kmi h ASP 13 Ca 0.20 0.06 0.14 0.00 -3.24 0.00 0.00 57.03 54.19 2kmi h ASP 13 Cb 0.48 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 38.69 2kmi h ASP 13 CO 0.02 0.20 0.48 -0.03 -2.04 0.00 0.00 179.24 177.86 2kmi h MET 14 N 0.53 0.35 0.00 4.15 4.05 -1.67 0.24 114.93 122.58 2kmi h MET 14 Ca 0.52 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.92 2kmi h MET 14 Cb 1.11 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.84 2kmi h MET 14 CO -0.26 0.23 -0.00 0.00 0.23 0.00 0.00 176.91 177.12 2kmi h ALA 15 N 1.66 1.06 -0.67 0.39 0.00 -0.70 -2.07 119.26 118.93 2kmi h ALA 15 Ca 0.34 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.42 2kmi h ALA 15 Cb 0.84 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2kmi h ALA 15 CO -0.10 0.00 0.47 -0.09 0.00 0.00 0.00 179.25 179.53 2kmi h ARG 16 N 0.00 0.17 -0.01 0.00 2.43 -0.62 0.25 114.38 116.60 2kmi h ARG 16 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kmi h ARG 16 Cb 0.02 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2kmi h ARG 16 CO 0.00 0.11 0.04 1.37 -1.51 0.00 0.00 179.97 179.98 2kmi h LEU 17 N 0.17 0.00 -1.47 3.80 8.10 -1.56 -1.90 115.31 122.46 2kmi h LEU 17 Ca 0.32 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.48 2kmi h LEU 17 Cb 1.03 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.19 2kmi h LEU 17 CO -0.05 0.00 0.55 0.25 -4.11 0.00 0.00 178.44 175.08 2kmi h LEU 18 N 0.00 0.48 -2.29 0.17 6.46 -0.71 0.24 115.31 119.66 2kmi h LEU 18 Ca 0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2kmi h LEU 18 Cb 0.09 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2kmi h LEU 18 CO -0.00 0.23 0.06 -0.08 -0.62 0.00 0.00 178.44 178.03 2kmi h GLU 19 N 0.50 0.00 -0.81 1.25 4.81 -1.53 -1.61 114.58 117.19 2kmi h GLU 19 Ca 0.42 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.88 2kmi h GLU 19 Cb 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2kmi h GLU 19 CO -0.16 0.00 0.58 0.37 -0.73 0.00 0.00 179.01 179.07 2kmi h GLN 20 N 0.00 0.01 -1.01 1.92 -0.00 -0.58 0.93 115.11 116.38 2kmi h GLN 20 Ca 0.03 -0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.73 2kmi h GLN 20 Cb 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.57 2kmi h GLN 20 CO -0.00 0.01 0.65 2.35 0.00 0.00 0.00 178.83 181.84 2kmi h TRP 21 N 0.01 1.22 0.52 3.99 2.91 -1.45 -2.90 115.95 120.25 2kmi h TRP 21 Ca 0.38 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.42 2kmi h TRP 21 Cb 1.53 -0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 2kmi h TRP 21 CO -0.00 0.66 -0.49 0.93 -1.03 0.00 0.00 178.44 178.51 2kmi h GLU 22 N 1.22 -0.97 -2.05 2.65 3.07 -1.00 -3.45 114.58 114.04 2kmi h GLU 22 Ca 0.42 0.07 -0.36 0.00 -0.50 0.00 0.00 59.36 58.99 2kmi h GLU 22 Cb 0.11 0.22 -0.09 0.00 -0.84 0.00 0.00 28.75 28.14 2kmi h GLU 22 CO -0.16 -0.65 -0.38 1.17 -1.40 0.00 0.00 179.01 177.59 2kmi n LYS 23 N -5.56 -1.59 0.20 2.33 3.00 -1.10 -4.82 118.16 110.61 2kmi n LYS 23 Ca -0.12 0.98 0.07 0.00 -0.00 0.00 0.00 58.31 59.23 2kmi n LYS 23 Cb 0.46 -5.44 0.41 0.00 0.00 0.00 0.00 35.03 30.46 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kmi h ASP 24 N 0.00 0.00 -5.94 3.14 3.58 -1.86 -3.47 116.42 111.87 2kmi h ASP 24 Ca -0.39 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.65 2kmi h ASP 24 Cb 1.23 0.00 0.10 0.00 1.72 0.00 0.00 39.33 42.37 2kmi h ASP 24 CO 0.52 0.33 -0.74 -0.67 -2.88 0.00 0.00 179.24 175.80 2kmi n ASP 25 N -3.62 -4.45 0.20 2.28 2.03 -1.26 -4.84 116.55 106.89 2kmi n ASP 25 Ca -0.01 -0.65 0.17 0.00 0.52 0.00 0.00 54.79 54.83 2kmi n ASP 25 Cb 0.45 -4.67 0.83 0.00 -0.72 0.00 0.00 41.12 37.00 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kmi h ASP 26 N -2.30 0.00 -4.27 1.67 3.58 -1.79 -3.41 116.42 109.91 2kmi h ASP 26 Ca -0.58 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.51 2kmi h ASP 26 Cb 1.36 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 42.16 2kmi h ASP 26 CO 0.57 0.00 -0.77 -0.63 -2.88 0.00 0.00 179.24 175.54 2kmi s ILE 27 N -4.63 0.71 -0.20 2.25 1.01 -1.26 -5.04 121.20 114.04 2kmi s ILE 27 Ca -0.05 -0.69 0.16 0.00 0.00 0.00 0.00 60.65 60.07 2kmi s ILE 27 Cb 0.15 -0.66 -0.24 0.00 0.01 0.00 0.00 42.46 41.73 2kmi s ILE 27 CO 0.55 -0.02 0.04 1.21 0.00 0.00 0.00 174.94 176.72 2kmi n GLU 28 N 2.27 0.79 -2.51 2.79 4.07 -1.26 -4.99 120.64 121.79 2kmi n GLU 28 Ca -0.17 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.71 2kmi n GLU 28 Cb 0.56 -1.50 0.06 0.00 -0.06 0.00 0.00 31.44 30.50 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kmi s GLU 29 N -2.48 2.26 0.00 5.31 2.12 -1.26 -4.96 118.70 119.70 2kmi s GLU 29 Ca -0.12 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2kmi s GLU 29 Cb 0.06 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2kmi s GLU 29 CO 0.78 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2kmi n GLY 30 N -2.60 0.02 3.77 -1.50 0.00 -1.26 -4.71 105.19 98.91 2kmi n GLY 30 Ca 0.09 -0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 6.79 0.22 1.61 -4.77 -1.26 -1.66 116.67 117.59 2kmi s ASP 31 Ca 0.00 2.37 0.08 0.00 -3.30 0.00 0.00 52.55 51.70 2kmi s ASP 31 Cb 0.00 -2.62 -0.05 0.00 -1.09 0.00 0.00 42.92 39.16 2kmi s ASP 31 CO 0.00 -0.49 -0.14 -0.76 0.70 0.00 0.00 175.17 174.48 2kmi s LEU 32 N -2.08 2.55 -0.35 2.11 1.02 -1.23 -4.90 118.68 115.80 2kmi s LEU 32 Ca 0.52 -1.04 -0.28 0.00 0.02 0.00 0.00 54.13 53.34 2kmi s LEU 32 Cb -0.32 -0.68 -0.01 0.00 0.02 0.00 0.00 46.19 45.19 2kmi s LEU 32 CO 0.41 -0.18 1.70 -2.16 0.02 0.00 0.00 176.35 176.14 2kmi s PRO 33 N -3.65 3.39 0.01 1.29 0.04 -1.26 -4.96 135.00 129.86 2kmi s PRO 33 Ca 0.24 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.62 2kmi s PRO 33 Cb -0.00 -4.16 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2kmi s PRO 33 CO 0.08 -1.79 -0.10 -2.00 0.04 0.00 0.00 177.00 173.22 2kmi s GLU 34 N 5.50 2.41 0.44 4.56 2.56 -1.26 -5.12 118.70 127.78 2kmi s GLU 34 Ca 0.75 -0.80 0.03 0.00 0.00 0.00 0.00 54.97 54.95 2kmi s GLU 34 Cb -0.20 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.50 2kmi s GLU 34 CO 0.33 0.58 0.09 -1.58 -0.56 0.00 0.00 175.26 174.12 2kmi s HIS 35 N -0.96 1.83 0.47 5.30 2.46 -1.26 -5.13 115.29 117.99 2kmi s HIS 35 Ca 0.16 -1.17 -0.22 0.00 0.47 0.00 0.00 55.06 54.30 2kmi s HIS 35 Cb -0.11 -1.31 -0.08 0.00 -0.13 0.00 0.00 32.58 30.95 2kmi s HIS 35 CO 0.07 -0.12 1.10 0.21 -2.47 0.00 0.00 174.74 173.52 2kmi s LYS 36 N -3.76 3.79 0.28 2.88 2.20 -1.26 -4.99 119.74 118.88 2kmi s LYS 36 Ca 0.19 1.57 0.11 0.00 -0.36 0.00 0.00 55.97 57.48 2kmi s LYS 36 Cb 0.02 -2.28 -0.05 0.00 -1.51 0.00 0.00 37.83 34.01 2kmi s LYS 36 CO 0.11 -0.48 -0.15 1.03 -0.36 0.00 0.00 175.35 175.50 2kmi s ARG 37 N -2.90 1.81 0.27 4.03 0.52 -1.26 -5.12 118.95 116.31 2kmi s ARG 37 Ca 0.65 -1.71 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 2kmi s ARG 37 Cb -0.23 -1.85 -0.10 0.00 0.52 0.00 0.00 34.95 33.30 2kmi s ARG 37 CO 0.28 0.32 1.25 -1.25 0.02 0.00 0.00 175.30 175.92 2kmi s PRO 38 N -3.55 4.44 -0.45 3.54 0.04 -1.26 -4.83 135.00 132.93 2kmi s PRO 38 Ca 0.31 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 2kmi s PRO 38 Cb -0.05 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2kmi s PRO 38 CO 0.16 -0.10 0.72 0.45 0.04 0.00 0.00 177.00 178.27 2kmi s SER 39 N -0.32 6.37 -0.25 6.66 0.15 -1.26 -4.98 113.70 120.06 2kmi s SER 39 Ca 0.50 -0.22 -0.37 0.00 0.70 0.00 0.00 55.95 56.55 2kmi s SER 39 Cb -0.37 -2.36 0.15 0.00 -1.71 0.00 0.00 66.02 61.74 2kmi s SER 39 CO 0.45 -0.86 1.34 0.00 1.20 0.00 0.00 173.24 175.37 2kmi s ALA 40 N 3.08 -2.19 -0.12 5.45 0.00 -1.26 -5.13 121.76 121.59 2kmi s ALA 40 Ca 0.27 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.72 2kmi s ALA 40 Cb -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2kmi s ALA 40 CO 0.21 -0.59 1.54 -1.25 0.00 0.00 0.00 175.76 175.67 2kmi s PRO 41 N -2.13 4.10 -0.13 0.00 0.04 -1.26 -4.80 135.00 130.82 2kmi s PRO 41 Ca 0.11 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2kmi s PRO 41 Cb -0.01 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2kmi s PRO 41 CO -0.03 -0.92 -0.16 -1.50 0.04 0.00 0.00 177.00 174.43 2kmi s ILE 42 N 4.18 1.61 0.15 0.56 1.10 -1.22 -4.98 121.20 122.59 2kmi s ILE 42 Ca 0.68 -0.69 -0.09 0.00 -0.51 0.00 0.00 60.65 60.04 2kmi s ILE 42 Cb -0.28 -1.47 -0.01 0.00 0.15 0.00 0.00 42.46 40.85 2kmi s ILE 42 CO 0.25 0.46 0.27 1.51 -2.11 0.00 0.00 174.94 175.33 2kmi s ASP 43 N 1.15 0.04 -0.19 4.50 1.47 -1.26 -3.95 116.67 118.43 2kmi s ASP 43 Ca -0.02 -0.82 0.02 0.00 1.18 0.00 0.00 52.55 52.91 2kmi s ASP 43 Cb -0.14 0.42 -0.21 0.00 -0.34 0.00 0.00 42.92 42.65 2kmi s ASP 43 CO -0.05 -0.87 0.06 0.33 0.68 0.00 0.00 175.17 175.32 2kmi n PHE 44 N -0.19 0.46 -0.00 2.11 -0.00 0.60 -4.60 117.46 115.84 2kmi n PHE 44 Ca -0.09 0.11 0.04 0.00 -0.00 0.00 0.00 57.45 57.51 2kmi n PHE 44 Cb 0.63 -1.06 -0.06 0.00 -0.00 0.00 0.00 39.48 38.99 2kmi n PHE 44 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2kmi n SER 45 N -3.24 3.30 -2.19 -2.13 7.64 -1.26 -5.10 113.62 110.63 2kmi n SER 45 Ca -0.38 -0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.48 2kmi n SER 45 Cb 1.03 1.33 -0.01 0.00 -1.01 0.00 0.00 64.21 65.56 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kmi n LYS 46 N -1.75 -4.11 -3.78 1.43 4.81 -1.26 -5.00 118.16 108.50 2kmi n LYS 46 Ca -0.01 3.11 -0.29 0.00 -0.87 0.00 0.00 58.31 60.24 2kmi n LYS 46 Cb 0.19 -4.08 -0.13 0.00 0.02 0.00 0.00 35.03 31.03 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kmi s LEU 47 N -0.51 3.26 -0.43 3.14 1.43 -1.26 -4.98 118.68 119.33 2kmi s LEU 47 Ca -0.08 -2.87 0.07 0.00 -1.03 0.00 0.00 54.13 50.22 2kmi s LEU 47 Cb 0.01 -1.22 0.22 0.00 0.03 0.00 0.00 46.19 45.23 2kmi s LEU 47 CO 0.21 -0.23 0.58 -0.67 0.23 0.00 0.00 176.35 176.46 2kmi n ASP 48 N 3.24 -1.00 0.21 2.29 2.03 -1.26 -4.96 116.55 117.10 2kmi n ASP 48 Ca 0.10 -2.78 0.15 0.00 0.52 0.00 0.00 54.79 52.78 2kmi n ASP 48 Cb 0.35 0.15 0.61 0.00 -0.72 0.00 0.00 41.12 41.50 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kmi h PRO 49 N 4.45 0.00 0.00 -0.67 0.13 -2.04 -3.44 132.00 130.42 2kmi h PRO 49 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2kmi h PRO 49 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kmi h PRO 49 CO 0.37 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 2kmi n GLY 50 N -0.02 0.36 3.75 1.56 0.00 -1.26 -5.15 105.19 104.44 2kmi n GLY 50 Ca 0.01 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2kmi n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 51 N 0.00 2.01 0.53 1.61 1.02 -1.26 -5.00 119.74 118.65 2kmi s LYS 51 Ca 0.00 1.16 -0.20 0.00 0.02 0.00 0.00 55.97 56.95 2kmi s LYS 51 Cb 0.00 -1.87 -0.06 0.00 -0.52 0.00 0.00 37.83 35.38 2kmi s LYS 51 CO 0.00 -1.81 1.13 -1.25 -0.92 0.00 0.00 175.35 172.50 2kmi s PRO 52 N -4.88 3.40 0.54 -1.68 0.04 -1.26 -4.92 135.00 126.24 2kmi s PRO 52 Ca 0.62 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.54 2kmi s PRO 52 Cb -0.18 -2.05 1.55 0.00 0.04 0.00 0.00 34.50 33.86 2kmi s PRO 52 CO 0.56 -0.81 2.15 1.05 0.04 0.00 0.00 177.00 180.00 2kmi h GLU 53 N 1.30 0.00 -0.79 4.56 4.11 -2.03 -2.18 114.58 119.54 2kmi h GLU 53 Ca -0.50 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.16 2kmi h GLU 53 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2kmi h GLU 53 CO 0.57 0.06 0.57 0.66 0.07 0.00 0.00 179.01 180.94 2kmi h SER 54 N 0.00 0.01 0.53 3.06 4.64 -1.99 -1.96 113.55 117.83 2kmi h SER 54 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2kmi h SER 54 Cb 0.15 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2kmi h SER 54 CO 0.01 0.00 -0.46 0.40 -0.87 0.00 0.00 176.83 175.91 2kmi h ILE 55 N 0.01 0.08 -0.68 0.95 1.08 -1.77 0.24 117.51 117.42 2kmi h ILE 55 Ca 0.38 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.95 2kmi h ILE 55 Cb 1.51 0.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 2kmi h ILE 55 CO -0.01 0.00 0.28 0.25 -0.69 0.00 0.00 178.15 177.99 2kmi h LEU 56 N -0.98 0.31 -0.76 1.44 5.85 -1.56 -1.00 115.31 118.61 2kmi h LEU 56 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2kmi h LEU 56 Cb 0.84 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2kmi h LEU 56 CO -0.03 0.16 0.38 0.50 -0.34 0.00 0.00 178.44 179.12 2kmi h LYS 57 N 0.48 1.08 -0.27 1.25 1.63 -1.32 -2.20 116.57 117.22 2kmi h LYS 57 Ca 0.35 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2kmi h LYS 57 Cb 0.44 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2kmi h LYS 57 CO -0.32 0.83 0.18 1.98 -3.45 0.00 0.00 179.45 178.66 2kmi h MET 58 N 1.06 0.32 -4.21 1.90 4.05 0.78 -3.36 114.93 115.48 2kmi h MET 58 Ca 0.26 -0.02 -0.75 0.00 -0.28 0.00 0.00 59.70 58.92 2kmi h MET 58 Cb 0.09 -0.07 -0.25 0.00 -0.80 0.00 0.00 31.60 30.57 2kmi h MET 58 CO -0.04 0.21 -0.30 0.99 0.23 0.00 0.00 176.91 178.01 2kmi s THR 59 N -5.32 4.94 -0.65 -0.77 2.01 -0.79 -4.93 115.64 110.13 2kmi s THR 59 Ca -0.07 -1.45 -0.01 0.00 0.31 0.00 0.00 61.69 60.47 2kmi s THR 59 Cb 0.17 -4.12 0.46 0.00 0.01 0.00 0.00 72.50 69.02 2kmi s THR 59 CO 0.71 -0.76 2.00 2.29 -0.69 0.00 0.00 174.62 178.17 2kmi n LYS 60 N 5.15 2.72 -4.45 4.92 2.85 -1.26 -4.86 118.16 123.22 2kmi n LYS 60 Ca -0.12 -3.32 -0.25 0.00 -1.05 0.00 0.00 58.31 53.57 2kmi n LYS 60 Cb 0.41 -2.29 -0.11 0.00 -0.65 0.00 0.00 35.03 32.40 2kmi n LYS 60 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2kmi s LYS 61 N -3.81 1.63 -0.46 -1.58 2.47 -1.26 -5.11 119.74 111.63 2kmi s LYS 61 Ca 0.64 -1.69 0.07 0.00 -1.56 0.00 0.00 55.97 53.43 2kmi s LYS 61 Cb 0.50 -1.79 0.19 0.00 -1.46 0.00 0.00 37.83 35.26 2kmi s LYS 61 CO -0.01 0.35 0.69 0.20 0.16 0.00 0.00 175.35 176.74 2kmi s GLY 62 N -3.25 -1.28 0.05 5.54 0.00 -1.26 -4.99 107.32 102.12 2kmi s GLY 62 Ca 0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2kmi s GLY 62 CO 0.13 3.68 0.30 0.54 0.00 0.00 0.00 173.10 177.76 2kmi s LYS 63 N 1.39 0.82 0.51 2.90 1.02 -0.94 -3.84 119.74 121.61 2kmi s LYS 63 Ca 0.22 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2kmi s LYS 63 Cb -0.02 0.35 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2kmi s LYS 63 CO -0.06 -0.26 0.77 0.99 -0.92 0.00 0.00 175.35 175.87 2kmi s THR 64 N -2.61 3.95 -0.18 2.17 2.01 -1.15 -3.30 115.64 116.53 2kmi s THR 64 Ca -0.05 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2kmi s THR 64 Cb -0.01 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 69.02 2kmi s THR 64 CO -0.04 -0.44 -0.19 -1.48 -0.69 0.00 0.00 174.62 171.79 2kmi s LEU 65 N -4.75 2.12 -0.30 4.42 2.34 -1.26 -4.65 118.68 116.60 2kmi s LEU 65 Ca 0.50 -0.66 -0.09 0.00 0.06 0.00 0.00 54.13 53.94 2kmi s LEU 65 Cb -0.10 -1.43 0.17 0.00 -0.56 0.00 0.00 46.19 44.26 2kmi s LEU 65 CO 0.41 -0.02 0.81 -0.32 -1.06 0.00 0.00 176.35 176.18 2kmi s MET 66 N 1.31 0.41 -0.22 1.48 1.75 -1.20 -4.04 119.30 118.80 2kmi s MET 66 Ca 0.04 0.87 -0.14 0.00 -1.25 0.00 0.00 55.69 55.21 2kmi s MET 66 Cb -0.13 0.50 0.07 0.00 2.84 0.00 0.00 34.83 38.10 2kmi s MET 66 CO -0.12 -0.31 0.54 -1.64 -0.65 0.00 0.00 175.02 172.83 2kmi s MET 67 N 2.79 0.56 -0.10 4.11 -1.94 -1.20 -0.68 119.30 122.84 2kmi s MET 67 Ca 0.05 0.95 -0.01 0.00 -1.71 0.00 0.00 55.69 54.96 2kmi s MET 67 Cb -0.11 0.10 0.03 0.00 2.01 0.00 0.00 34.83 36.86 2kmi s MET 67 CO -0.17 -0.14 -0.03 -0.06 -0.01 0.00 0.00 175.02 174.60 2kmi s PHE 68 N 1.28 1.09 0.01 -0.03 0.08 -0.39 -2.51 117.98 117.50 2kmi s PHE 68 Ca -0.08 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 2kmi s PHE 68 Cb -0.06 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.37 2kmi s PHE 68 CO -0.13 -0.43 0.14 0.08 -0.10 0.00 0.00 175.22 174.78 2kmi s VAL 69 N 1.84 0.09 -0.45 -0.44 1.01 -0.18 -0.03 120.40 122.23 2kmi s VAL 69 Ca 0.05 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2kmi s VAL 69 Cb -0.13 -0.51 0.23 0.00 0.00 0.00 0.00 36.38 35.97 2kmi s VAL 69 CO -0.07 -0.40 0.93 1.07 0.00 0.00 0.00 175.10 176.63 2kmi n THR 70 N 1.33 0.00 -3.61 3.92 5.66 -0.81 -0.10 114.28 120.67 2kmi n THR 70 Ca -0.22 -0.99 -0.01 0.00 -3.05 0.00 0.00 64.05 59.77 2kmi n THR 70 Cb 0.56 1.13 -0.01 0.00 -1.55 0.00 0.00 70.33 70.46 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 0.70 0.00 0.09 1.08 0.11 -0.92 -1.15 120.40 120.31 2kmi s VAL 71 Ca 0.29 -0.11 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 2kmi s VAL 71 Cb 0.14 -1.52 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 2kmi s VAL 71 CO -0.14 0.00 0.63 -0.94 -3.33 0.00 0.00 175.10 171.32 2kmi s SER 72 N -2.59 7.15 0.00 3.54 1.04 -1.26 -3.28 113.70 118.30 2kmi s SER 72 Ca 0.12 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2kmi s SER 72 Cb 0.02 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2kmi s SER 72 CO -0.04 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2kmi n GLY 73 N 1.73 -0.43 2.68 7.32 0.00 -1.25 -3.75 105.19 111.49 2kmi n GLY 73 Ca -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.59 -4.57 1.61 5.15 -1.24 -4.41 115.26 110.21 2kmi n ASN 74 Ca 0.00 -1.57 -0.27 0.00 -0.60 0.00 0.00 54.58 52.14 2kmi n ASN 74 Cb 0.00 0.85 -0.05 0.00 -0.53 0.00 0.00 39.78 40.04 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 0.57 2.53 -0.31 1.20 0.04 -1.26 -3.67 135.00 134.10 2kmi s PRO 75 Ca 0.26 -0.62 0.18 0.00 0.04 0.00 0.00 61.00 60.85 2kmi s PRO 75 Cb 0.16 -5.13 0.46 0.00 0.04 0.00 0.00 34.50 30.03 2kmi s PRO 75 CO -0.10 -3.61 1.16 0.25 0.04 0.00 0.00 177.00 174.74 2kmi n THR 76 N 7.85 0.80 -0.01 1.26 -2.24 -1.26 -4.92 114.28 115.75 2kmi n THR 76 Ca 0.42 -2.47 0.22 0.00 -2.27 0.00 0.00 64.05 59.94 2kmi n THR 76 Cb 0.47 0.99 0.71 0.00 -2.10 0.00 0.00 70.33 70.40 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 2.42 0.00 -0.26 -0.78 4.11 -1.85 -0.01 114.58 118.21 2kmi h GLU 77 Ca -0.19 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.12 2kmi h GLU 77 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kmi h GLU 77 CO 0.20 0.00 -0.32 -0.22 0.07 0.00 0.00 179.01 178.75 2kmi h LYS 78 N 0.00 0.67 -0.57 1.06 3.11 -1.99 -3.07 116.57 115.78 2kmi h LYS 78 Ca 0.27 -0.37 -0.08 0.00 -2.81 0.00 0.00 60.65 57.66 2kmi h LYS 78 Cb 1.13 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.36 2kmi h LYS 78 CO -0.00 0.99 0.04 1.49 -2.81 0.00 0.00 179.45 179.16 2kmi h GLU 79 N 0.39 0.94 -0.90 1.90 4.57 -1.43 -2.78 114.58 117.27 2kmi h GLU 79 Ca 0.03 -0.26 0.06 0.00 -1.18 0.00 0.00 59.36 58.02 2kmi h GLU 79 Cb 0.89 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.32 2kmi h GLU 79 CO 0.08 0.91 0.59 1.79 -1.18 0.00 0.00 179.01 181.19 2kmi h THR 80 N 0.88 1.07 -0.16 0.32 1.35 -1.32 -2.34 112.91 112.71 2kmi h THR 80 Ca 0.17 -0.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2kmi h THR 80 Cb 0.46 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 2kmi h THR 80 CO 0.02 0.19 0.09 -0.08 -0.25 0.00 0.00 175.52 175.48 2kmi h GLU 81 N 1.02 0.22 -0.26 4.72 4.81 -1.40 -1.99 114.58 121.70 2kmi h GLU 81 Ca 0.38 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.67 2kmi h GLU 81 Cb 0.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kmi h GLU 81 CO -0.14 0.22 0.32 1.49 -0.73 0.00 0.00 179.01 180.17 2kmi h GLU 82 N 0.16 0.00 -0.74 1.92 4.81 -1.37 -0.77 114.58 118.58 2kmi h GLU 82 Ca 0.06 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2kmi h GLU 82 Cb 0.07 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2kmi h GLU 82 CO -0.01 0.00 0.47 0.82 -0.73 0.00 0.00 179.01 179.56 2kmi h ILE 83 N 0.00 1.11 -1.01 2.32 1.08 -1.18 -1.74 117.51 118.10 2kmi h ILE 83 Ca 0.12 -0.32 0.27 0.00 -0.39 0.00 0.00 64.86 64.54 2kmi h ILE 83 Cb 0.76 0.11 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 2kmi h ILE 83 CO -0.00 0.17 0.69 0.00 -0.69 0.00 0.00 178.15 178.31 2kmi h THR 84 N 0.92 0.54 0.35 -0.27 1.03 -1.23 -0.74 112.91 113.51 2kmi h THR 84 Ca 0.30 -0.07 -0.02 0.00 -0.01 0.00 0.00 66.41 66.61 2kmi h THR 84 Cb 0.01 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.39 2kmi h THR 84 CO -0.11 0.04 -0.17 -1.28 -0.01 0.00 0.00 175.52 174.00 2kmi h SER 85 N 0.22 -0.39 -0.83 0.00 0.87 -1.46 -3.20 113.55 108.76 2kmi h SER 85 Ca 0.52 -0.14 0.19 0.00 -1.23 0.00 0.00 61.79 61.14 2kmi h SER 85 Cb 1.65 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.65 2kmi h SER 85 CO -0.14 0.06 0.56 -0.07 -0.53 0.00 0.00 176.83 176.71 2kmi h LEU 86 N -0.99 0.29 -1.50 2.23 3.38 -1.23 0.55 115.31 118.04 2kmi h LEU 86 Ca -0.05 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.17 2kmi h LEU 86 Cb 0.50 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2kmi h LEU 86 CO 0.08 0.13 0.62 -0.25 0.09 0.00 0.00 178.44 179.10 2kmi h TRP 87 N 0.30 0.54 -0.84 1.13 2.91 -1.16 0.66 115.95 119.48 2kmi h TRP 87 Ca 0.42 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.51 2kmi h TRP 87 Cb 1.17 -0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 29.60 2kmi h TRP 87 CO -0.00 0.13 0.52 0.37 -1.03 0.00 0.00 178.44 178.42 2kmi h GLN 88 N 0.39 0.92 0.12 2.65 5.75 -0.98 -2.70 115.11 121.26 2kmi h GLN 88 Ca 0.49 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.94 2kmi h GLN 88 Cb 1.25 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 2kmi h GLN 88 CO -0.19 0.61 -0.11 0.78 -2.65 0.00 0.00 178.83 177.26 2kmi h GLY 89 N 0.95 -0.24 0.42 2.39 0.00 -0.99 -2.12 103.07 103.49 2kmi h GLY 89 Ca 0.36 0.13 0.21 0.00 0.00 0.00 0.00 47.33 48.04 2kmi h GLY 89 CO -0.17 -0.12 0.57 1.48 0.00 0.00 0.00 176.54 178.30 2kmi h SER 90 N -0.25 0.15 -0.63 0.19 4.64 -1.46 -0.77 113.55 115.42 2kmi h SER 90 Ca 0.00 0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.46 2kmi h SER 90 Cb 0.24 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.23 2kmi h SER 90 CO -0.03 0.06 0.14 0.25 -0.87 0.00 0.00 176.83 176.38 2kmi h LEU 91 N 0.15 0.01 -0.87 5.97 6.46 -1.15 0.41 115.31 126.30 2kmi h LEU 91 Ca 0.40 0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 58.16 2kmi h LEU 91 Cb 1.35 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 41.43 2kmi h LEU 91 CO -0.06 0.01 -0.47 0.15 -0.62 0.00 0.00 178.44 177.45 2kmi h PHE 92 N 0.27 0.27 0.68 1.25 3.04 -1.21 -3.25 116.94 117.99 2kmi h PHE 92 Ca 0.33 -0.08 -0.03 0.00 3.98 0.00 0.00 57.97 62.17 2kmi h PHE 92 Cb 0.50 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.96 2kmi h PHE 92 CO -0.25 0.66 -0.37 -0.97 -2.02 0.00 0.00 178.31 175.35 2kmi h ASN 93 N 0.19 -0.92 0.00 0.41 -1.24 -0.82 -3.43 115.58 109.77 2kmi h ASN 93 Ca 0.01 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2kmi h ASN 93 Cb 0.90 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2kmi h ASN 93 CO 0.07 -0.60 0.00 0.00 -1.29 0.00 0.00 177.43 175.61 2kmi n ALA 94 N -2.57 1.53 -2.65 1.57 0.00 -0.66 -0.29 120.51 117.44 2kmi n ALA 94 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2kmi n ALA 94 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.61 -1.01 -2.63 0.00 6.94 -1.25 -4.92 115.26 110.78 2kmi n ASN 95 Ca 0.00 -1.51 -0.04 0.00 -0.02 0.00 0.00 54.58 53.01 2kmi n ASN 95 Cb 0.00 0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 38.11 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2kmi n TYR 96 N 1.08 -4.34 -3.18 -2.53 4.01 -1.26 -4.94 117.16 106.00 2kmi n TYR 96 Ca -0.03 2.33 -0.34 0.00 -0.16 0.00 0.00 57.90 59.69 2kmi n TYR 96 Cb 0.74 -3.97 -0.04 0.00 -0.31 0.00 0.00 39.34 35.76 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 1.34 5.06 -4.05 7.72 8.00 -1.25 -5.02 116.55 128.35 2kmi n ASP 97 Ca -0.28 -3.47 -0.22 0.00 0.71 0.00 0.00 54.79 51.53 2kmi n ASP 97 Cb 0.43 -0.92 -0.16 0.00 -0.02 0.00 0.00 41.12 40.45 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kmi s VAL 98 N -2.88 1.02 -0.03 2.53 -7.23 -1.26 -1.52 120.40 111.03 2kmi s VAL 98 Ca 0.37 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 2kmi s VAL 98 Cb 0.13 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2kmi s VAL 98 CO 0.02 0.31 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.90 2kmi s GLN 99 N 0.12 1.13 0.04 4.82 1.11 0.96 -4.94 119.66 122.89 2kmi s GLN 99 Ca -0.03 -0.37 0.05 0.00 0.01 0.00 0.00 55.36 55.02 2kmi s GLN 99 Cb -0.09 -1.04 -0.02 0.00 -1.01 0.00 0.00 33.01 30.85 2kmi s GLN 99 CO 0.01 0.15 -0.14 -0.98 0.01 0.00 0.00 175.29 174.33 2kmi s ARG 100 N 0.14 0.96 -0.02 2.91 1.70 -1.24 -1.49 118.95 121.90 2kmi s ARG 100 Ca -0.03 -0.76 -0.01 0.00 -0.47 0.00 0.00 55.73 54.46 2kmi s ARG 100 Cb -0.09 -0.97 0.02 0.00 -0.57 0.00 0.00 34.95 33.34 2kmi s ARG 100 CO 0.01 0.24 0.04 0.12 -1.08 0.00 0.00 175.30 174.63 2kmi s PHE 101 N -0.84 -0.02 -0.09 5.89 5.36 -0.81 -4.03 117.98 123.44 2kmi s PHE 101 Ca 0.02 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2kmi s PHE 101 Cb -0.08 -0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.52 2kmi s PHE 101 CO 0.01 -0.06 -0.09 0.42 -1.46 0.00 0.00 175.22 174.04 2kmi s ILE 102 N 0.61 1.01 -0.12 3.12 1.01 -1.26 -0.26 121.20 125.30 2kmi s ILE 102 Ca -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.22 2kmi s ILE 102 Cb -0.07 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.46 2kmi s ILE 102 CO -0.02 0.35 0.27 0.54 0.00 0.00 0.00 174.94 176.08 2kmi s VAL 103 N 1.33 -0.09 0.00 2.92 0.11 -1.06 -5.04 120.40 118.57 2kmi s VAL 103 Ca -0.02 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2kmi s VAL 103 Cb -0.14 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 2kmi s VAL 103 CO -0.04 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2kmi n GLY 104 N 4.39 1.46 0.58 6.54 0.00 -1.26 -3.13 105.19 113.77 2kmi n GLY 104 Ca -0.23 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 7.26 2.47 -4.27 1.61 7.64 -1.26 -4.97 113.62 122.11 2kmi n SER 105 Ca 0.00 -1.73 -0.26 0.00 1.01 0.00 0.00 58.87 57.88 2kmi n SER 105 Cb 0.00 -0.12 -0.14 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.01 2.59 0.10 6.43 1.47 -1.18 -4.45 116.67 120.62 2kmi s ASP 106 Ca 0.19 -0.53 0.08 0.00 1.18 0.00 0.00 52.55 53.47 2kmi s ASP 106 Cb 0.12 -0.22 -0.04 0.00 -0.34 0.00 0.00 42.92 42.44 2kmi s ASP 106 CO 0.16 0.18 -0.21 0.00 0.68 0.00 0.00 175.17 175.98 2kmi s ARG 107 N -1.19 1.13 0.04 2.11 1.70 -1.20 -2.57 118.95 118.97 2kmi s ARG 107 Ca 0.08 -1.17 0.09 0.00 -0.47 0.00 0.00 55.73 54.26 2kmi s ARG 107 Cb -0.09 -1.40 -0.03 0.00 -0.57 0.00 0.00 34.95 32.86 2kmi s ARG 107 CO 0.02 0.33 -0.25 0.00 -1.08 0.00 0.00 175.30 174.32 2kmi s ALA 108 N -1.17 2.11 -0.00 7.88 0.00 0.64 -2.17 121.76 129.05 2kmi s ALA 108 Ca 0.07 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2kmi s ALA 108 Cb -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2kmi s ALA 108 CO 0.04 0.49 -0.13 -1.50 0.00 0.00 0.00 175.76 174.67 2kmi s ILE 109 N -0.79 1.05 -0.16 0.00 2.07 0.85 -1.92 121.20 122.29 2kmi s ILE 109 Ca 0.10 -0.64 -0.06 0.00 -1.41 0.00 0.00 60.65 58.64 2kmi s ILE 109 Cb -0.10 -0.89 0.08 0.00 0.13 0.00 0.00 42.46 41.68 2kmi s ILE 109 CO 0.02 0.23 0.33 0.12 -1.91 0.00 0.00 174.94 173.73 2kmi s PHE 110 N -0.41 -0.59 -0.02 3.50 2.19 -0.56 -1.01 117.98 121.07 2kmi s PHE 110 Ca 0.04 1.21 0.01 0.00 0.33 0.00 0.00 56.93 58.52 2kmi s PHE 110 Cb -0.06 0.11 0.01 0.00 -1.31 0.00 0.00 43.02 41.78 2kmi s PHE 110 CO -0.00 -0.42 -0.03 0.00 1.83 0.00 0.00 175.22 176.60 2kmi s MET 111 N 2.51 0.50 -0.02 10.12 0.23 -1.05 -0.03 119.30 131.56 2kmi s MET 111 Ca 0.00 -0.07 -0.16 0.00 -1.03 0.00 0.00 55.69 54.43 2kmi s MET 111 Cb -0.12 -0.55 0.03 0.00 -1.53 0.00 0.00 34.83 32.66 2kmi s MET 111 CO -0.10 -0.03 0.33 -1.17 -2.03 0.00 0.00 175.02 172.02 2kmi s LEU 112 N 0.55 0.76 0.17 0.18 1.98 -0.58 -3.22 118.68 118.52 2kmi s LEU 112 Ca -0.06 0.13 -0.09 0.00 -2.89 0.00 0.00 54.13 51.22 2kmi s LEU 112 Cb -0.10 1.35 0.03 0.00 0.66 0.00 0.00 46.19 48.13 2kmi s LEU 112 CO -0.01 -0.45 1.55 0.08 -1.89 0.00 0.00 176.35 175.63 2kmi h ARG 113 N 3.83 0.95 0.00 1.98 0.11 -1.82 -3.35 114.38 116.08 2kmi h ARG 113 Ca -0.29 -0.42 0.00 0.00 0.10 0.00 0.00 59.98 59.36 2kmi h ARG 113 Cb 1.17 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2kmi h ARG 113 CO 0.40 1.09 -0.02 -0.44 0.10 0.00 0.00 179.97 181.10 2kmi h ASP 114 N 0.81 0.00 0.00 0.08 3.32 -1.93 -3.38 116.42 115.31 2kmi h ASP 114 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2kmi h ASP 114 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2kmi h ASP 114 CO 0.07 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 2kmi n GLY 115 N 1.90 2.09 0.49 2.75 0.00 -1.26 -4.72 105.19 106.45 2kmi n GLY 115 Ca -0.00 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.05 0.51 1.61 0.87 -1.95 0.35 113.55 113.89 2kmi h SER 116 Ca 0.00 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 2kmi h SER 116 Cb 0.00 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2kmi h SER 116 CO 0.00 -0.71 -0.50 0.22 -0.53 0.00 0.00 176.83 175.31 2kmi h TYR 117 N -1.32 0.00 0.00 2.24 3.20 -2.01 -2.84 116.97 116.23 2kmi h TYR 117 Ca -0.13 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.66 2kmi h TYR 117 Cb 0.95 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2kmi h TYR 117 CO 0.00 0.50 -0.42 0.00 -1.64 0.00 0.00 178.16 176.61 2kmi h ALA 118 N 1.50 1.31 -0.82 1.82 0.00 -1.89 -2.85 119.26 118.32 2kmi h ALA 118 Ca -0.01 -0.38 0.24 0.00 0.00 0.00 0.00 54.91 54.76 2kmi h ALA 118 Cb 0.89 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2kmi h ALA 118 CO 0.07 0.52 0.59 2.35 0.00 0.00 0.00 179.25 182.78 2kmi h TRP 119 N 0.00 0.01 0.84 0.00 2.91 -0.66 0.26 115.95 119.31 2kmi h TRP 119 Ca -0.00 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.74 -0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.40 2kmi h TRP 119 CO 0.00 0.00 -0.40 0.93 -1.03 0.00 0.00 178.44 177.94 2kmi h GLU 120 N 0.00 -1.09 0.00 2.65 5.08 -1.66 -3.09 114.58 116.47 2kmi h GLU 120 Ca 0.39 0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2kmi h GLU 120 Cb 1.57 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 2kmi h GLU 120 CO -0.01 -0.72 -0.48 0.82 -1.00 0.00 0.00 179.01 177.63 2kmi h ILE 121 N -1.25 1.33 -0.79 3.13 1.08 -1.52 -2.91 117.51 116.58 2kmi h ILE 121 Ca -0.12 -1.64 0.23 0.00 -0.39 0.00 0.00 64.86 62.95 2kmi h ILE 121 Cb 0.88 1.89 -0.03 0.00 -3.07 0.00 0.00 36.82 36.48 2kmi h ILE 121 CO 0.19 0.47 0.57 0.50 -0.69 0.00 0.00 178.15 179.19 2kmi h LYS 122 N 0.00 0.00 -0.34 2.37 3.11 -0.44 0.25 116.57 121.52 2kmi h LYS 122 Ca -0.00 -0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 2kmi h LYS 122 Cb 0.85 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.06 2kmi h LYS 122 CO 0.06 0.00 -0.28 0.22 -2.81 0.00 0.00 179.45 176.65 2kmi h ASP 123 N 0.00 0.71 -0.09 4.20 1.82 -1.43 -2.56 116.42 119.08 2kmi h ASP 123 Ca 0.38 -0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 2kmi h ASP 123 Cb 1.51 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 41.32 2kmi h ASP 123 CO -0.00 0.95 -0.04 -0.26 -1.61 0.00 0.00 179.24 178.28 2kmi h PHE 124 N 0.60 0.21 0.55 0.28 0.04 -0.67 -1.98 116.94 115.98 2kmi h PHE 124 Ca 0.08 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2kmi h PHE 124 Cb 0.78 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 2kmi h PHE 124 CO 0.04 0.54 -0.51 -0.07 -0.60 0.00 0.00 178.31 177.71 2kmi h LEU 125 N -0.18 -1.38 -2.00 1.54 -0.00 -1.43 -1.86 115.31 110.01 2kmi h LEU 125 Ca 0.02 0.11 0.13 0.00 -0.00 0.00 0.00 57.88 58.13 2kmi h LEU 125 Cb 0.49 0.45 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 2kmi h LEU 125 CO 0.01 -0.69 0.32 1.62 -0.00 0.00 0.00 178.44 179.70 2kmi h VAL 126 N -1.05 0.78 -0.96 1.22 3.04 -1.54 -1.08 116.25 116.65 2kmi h VAL 126 Ca -0.07 0.00 0.19 0.00 -1.01 0.00 0.00 66.70 65.81 2kmi h VAL 126 Cb 0.90 0.78 -0.09 0.00 -2.01 0.00 0.00 31.29 30.87 2kmi h VAL 126 CO -0.04 0.00 0.61 -1.28 -1.01 0.00 0.00 177.57 175.85 2kmi h SER 127 N 0.00 0.62 -0.51 3.17 0.87 -0.53 -0.23 113.55 116.95 2kmi h SER 127 Ca 0.21 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2kmi h SER 127 Cb 0.84 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.73 2kmi h SER 127 CO -0.00 0.24 0.32 1.56 -0.53 0.00 0.00 176.83 178.42 2kmi h GLN 128 N 0.62 0.69 -0.61 2.24 7.50 -1.16 -3.46 115.11 120.93 2kmi h GLN 128 Ca 0.52 -0.06 -0.26 0.00 0.50 0.00 0.00 58.65 59.36 2kmi h GLN 128 Cb 1.00 -0.15 -0.10 0.00 0.05 0.00 0.00 27.48 28.28 2kmi h GLN 128 CO -0.28 0.49 -0.24 -3.47 -1.50 0.00 0.00 178.83 173.83 2kmi n ASP 129 N -4.70 -5.21 -2.67 1.46 -0.08 -0.10 -4.77 116.55 100.47 2kmi n ASP 129 Ca 0.02 0.31 -0.04 0.00 -1.51 0.00 0.00 54.79 53.58 2kmi n ASP 129 Cb 0.04 -3.83 0.10 0.00 2.34 0.00 0.00 41.12 39.77 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kmi n ARG 130 N -1.72 0.24 -3.75 -0.67 0.63 -0.30 -4.60 116.66 106.49 2kmi n ARG 130 Ca -0.13 -0.86 -0.13 0.00 -0.92 0.00 0.00 57.85 55.81 2kmi n ARG 130 Cb 0.53 -0.32 -0.09 0.00 0.45 0.00 0.00 32.46 33.03 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 2.25 -0.04 0.00 0.00 -1.26 -1.92 121.76 120.22 2kmi s ALA 132 Ca -0.07 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2kmi s ALA 132 Cb -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2kmi s ALA 132 CO 0.03 0.02 0.21 -1.21 0.00 0.00 0.00 175.76 174.81 2kmi s GLU 133 N 0.75 0.41 -0.12 0.00 2.02 0.95 -4.10 118.70 118.61 2kmi s GLU 133 Ca -0.09 -0.02 -0.08 0.00 0.02 0.00 0.00 54.97 54.81 2kmi s GLU 133 Cb -0.16 0.19 0.04 0.00 0.10 0.00 0.00 34.13 34.30 2kmi s GLU 133 CO -0.00 -0.09 0.30 0.54 0.02 0.00 0.00 175.26 176.03 2kmi s VAL 134 N -0.65 -0.02 -0.10 2.63 0.11 -0.66 -1.26 120.40 120.44 2kmi s VAL 134 Ca -0.07 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2kmi s VAL 134 Cb -0.04 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2kmi s VAL 134 CO 0.01 0.03 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.88 2kmi s THR 135 N 0.83 0.78 -0.00 5.04 2.01 0.14 -3.47 115.64 120.97 2kmi s THR 135 Ca -0.05 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 2kmi s THR 135 Cb -0.06 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.61 2kmi s THR 135 CO -0.06 0.31 0.34 -1.48 -0.69 0.00 0.00 174.62 173.04 2kmi s LEU 136 N 1.81 0.72 -0.13 4.42 -0.00 -1.26 -3.21 118.68 121.03 2kmi s LEU 136 Ca 0.05 0.08 -0.33 0.00 -0.00 0.00 0.00 54.13 53.93 2kmi s LEU 136 Cb -0.13 1.40 0.13 0.00 -0.00 0.00 0.00 46.19 47.59 2kmi s LEU 136 CO -0.07 -0.50 1.11 -0.70 -0.00 0.00 0.00 176.35 176.19 2kmi s GLU 137 N -1.58 0.47 -0.52 1.48 2.56 -1.26 -4.96 118.70 114.89 2kmi s GLU 137 Ca -0.12 -0.17 0.07 0.00 0.00 0.00 0.00 54.97 54.75 2kmi s GLU 137 Cb -0.04 0.22 0.29 0.00 2.00 0.00 0.00 34.13 36.60 2kmi s GLU 137 CO 0.03 -0.21 0.75 0.41 -0.56 0.00 0.00 175.26 175.69 2kmi n GLY 138 N -0.14 4.41 3.47 -1.50 0.00 -1.26 -2.94 105.19 107.22 2kmi n GLY 138 Ca -0.03 -2.33 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 -2.47 3.03 -1.55 1.61 1.11 -1.26 -4.29 119.66 115.85 2kmi s GLN 139 Ca 0.41 -0.97 0.00 0.00 0.01 0.00 0.00 55.36 54.81 2kmi s GLN 139 Cb 0.23 -3.96 0.00 0.00 -1.01 0.00 0.00 33.01 28.27 2kmi s GLN 139 CO -0.08 -0.72 0.00 -1.33 0.01 0.00 0.00 175.29 173.17 2kmi n MET 140 N 5.16 -1.08 -2.89 2.91 2.81 -1.26 -3.41 117.12 119.36 2kmi n MET 140 Ca -0.11 0.98 -0.01 0.00 -1.81 0.00 0.00 57.70 56.74 2kmi n MET 140 Cb 0.47 -5.15 0.01 0.00 -0.71 0.00 0.00 33.22 27.84 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 -2.83 -2.58 -0.53 2.03 4.01 -1.26 -4.90 117.16 111.10 2kmi n TYR 141 Ca -0.16 0.98 -0.02 0.00 -0.16 0.00 0.00 57.90 58.54 2kmi n TYR 141 Cb 0.52 -3.82 0.02 0.00 -0.31 0.00 0.00 39.34 35.75 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 -1.82 -1.20 -3.13 -0.72 -0.04 -1.22 -4.62 135.00 122.26 2kmi n PRO 142 Ca -0.01 -0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2kmi n PRO 142 Cb 0.51 -0.13 0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 1.86 -0.71 0.00 0.55 0.00 -1.21 -2.20 105.19 103.48 2kmi n GLY 143 Ca 0.01 1.22 0.00 0.00 0.00 0.00 0.00 46.02 47.25 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 -0.29 -2.98 0.00 1.61 4.81 -1.25 -3.95 118.16 116.11 2kmi n LYS 144 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2kmi n LYS 144 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98