#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpm s ASP 2 N 0.00 5.00 -0.27 3.17 2.15 -1.26 -5.12 116.67 120.34 2kpm s ASP 2 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2kpm s ASP 2 Cb 0.00 -1.12 0.16 0.00 -0.30 0.00 0.00 42.92 41.65 2kpm s ASP 2 CO 0.00 0.02 0.43 -1.58 -0.17 0.00 0.00 175.17 173.88 2kpm s GLN 3 N -3.43 0.42 0.21 4.34 0.74 -1.26 -5.16 119.66 115.51 2kpm s GLN 3 Ca 0.31 0.38 0.02 0.00 0.05 0.00 0.00 55.36 56.12 2kpm s GLN 3 Cb -0.08 -0.24 -0.05 0.00 1.10 0.00 0.00 33.01 33.74 2kpm s GLN 3 CO 0.21 -0.86 0.04 0.15 -0.55 0.00 0.00 175.29 174.28 2kpm s LYS 4 N 2.60 1.23 -0.01 1.67 1.02 -1.26 -5.03 119.74 119.96 2kpm s LYS 4 Ca 0.12 -1.62 0.05 0.00 0.02 0.00 0.00 55.97 54.53 2kpm s LYS 4 Cb -0.13 -0.26 0.16 0.00 -0.52 0.00 0.00 37.83 37.08 2kpm s LYS 4 CO -0.24 -0.20 1.07 0.43 -0.92 0.00 0.00 175.35 175.49 2kpm n SER 5 N -0.33 1.13 -4.73 2.83 7.64 -1.26 -4.92 113.62 113.99 2kpm n SER 5 Ca -0.04 -2.04 -0.41 0.00 1.01 0.00 0.00 58.87 57.39 2kpm n SER 5 Cb 0.64 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 2kpm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kpm s SER 6 N -0.86 7.48 0.03 6.43 0.01 -1.26 -5.05 113.70 120.48 2kpm s SER 6 Ca 0.12 1.78 -0.20 0.00 1.31 0.00 0.00 55.95 58.96 2kpm s SER 6 Cb 0.07 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 2kpm s SER 6 CO 0.07 -0.08 0.57 -0.44 0.41 0.00 0.00 173.24 173.77 2kpm s SER 7 N 0.08 6.99 -0.68 2.44 0.01 -1.26 -4.99 113.70 116.29 2kpm s SER 7 Ca 0.47 1.18 -0.26 0.00 1.31 0.00 0.00 55.95 58.66 2kpm s SER 7 Cb -0.23 -2.35 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 2kpm s SER 7 CO 0.30 0.19 2.42 -0.81 0.41 0.00 0.00 173.24 175.74 2kpm n PRO 8 N 2.26 0.72 -4.53 12.44 -0.04 -1.26 -4.92 135.00 139.67 2kpm n PRO 8 Ca -0.09 -0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 62.61 2kpm n PRO 8 Cb 0.51 -3.52 -0.14 0.00 -0.04 0.00 0.00 33.50 30.31 2kpm n PRO 8 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2kpm s GLN 9 N 8.66 1.33 0.93 0.54 -0.21 -1.26 -5.15 119.66 124.50 2kpm s GLN 9 Ca 0.96 -1.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.20 2kpm s GLN 9 Cb -0.18 -1.52 0.16 0.00 1.00 0.00 0.00 33.01 32.47 2kpm s GLN 9 CO 0.17 0.38 1.14 -2.14 -2.12 0.00 0.00 175.29 172.71 2kpm s PRO 10 N -1.47 0.86 0.27 2.91 0.02 -1.26 -5.06 135.00 131.27 2kpm s PRO 10 Ca 0.08 1.51 0.04 0.00 0.02 0.00 0.00 61.00 62.65 2kpm s PRO 10 Cb -0.09 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.75 2kpm s PRO 10 CO 0.03 -2.73 0.32 0.00 -0.33 0.00 0.00 177.00 174.29 2kpm n ALA 11 N -4.30 0.53 -0.61 -1.55 0.00 -1.26 -5.03 120.51 108.30 2kpm n ALA 11 Ca 0.11 -1.00 0.06 0.00 0.00 0.00 0.00 53.44 52.61 2kpm n ALA 11 Cb 0.52 0.31 0.34 0.00 0.00 0.00 0.00 19.45 20.63 2kpm n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kpm n ALA 12 N -2.62 3.68 -2.54 0.00 0.00 -1.26 -4.92 120.51 112.85 2kpm n ALA 12 Ca -0.07 -1.62 -0.42 0.00 0.00 0.00 0.00 53.44 51.33 2kpm n ALA 12 Cb 0.29 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 2kpm n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kpm s GLN 13 N -2.49 3.53 -0.32 0.00 -1.52 -1.26 -5.00 119.66 112.60 2kpm s GLN 13 Ca 0.46 0.39 -0.21 0.00 -1.95 0.00 0.00 55.36 54.06 2kpm s GLN 13 Cb 0.35 -4.01 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 2kpm s GLN 13 CO 0.14 -1.65 0.65 0.00 -0.25 0.00 0.00 175.29 174.17 2kpm s ALA 14 N 5.06 3.51 -0.33 6.09 0.00 -1.26 -5.00 121.76 129.83 2kpm s ALA 14 Ca 0.47 -0.66 -0.38 0.00 0.00 0.00 0.00 51.96 51.39 2kpm s ALA 14 Cb -0.08 -3.14 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 2kpm s ALA 14 CO 0.27 -1.15 2.03 -2.30 0.00 0.00 0.00 175.76 174.61 2kpm n PRO 15 N 5.96 1.05 -3.60 0.00 -0.02 -1.26 -4.94 135.00 132.19 2kpm n PRO 15 Ca -0.00 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.41 2kpm n PRO 15 Cb 0.49 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 2kpm n PRO 15 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2kpm s GLU 16 N 5.25 3.17 -0.11 -0.52 2.56 -1.26 -5.09 118.70 122.70 2kpm s GLU 16 Ca 1.06 -0.85 -0.00 0.00 0.00 0.00 0.00 54.97 55.18 2kpm s GLU 16 Cb -0.99 -3.69 -0.02 0.00 2.00 0.00 0.00 34.13 31.44 2kpm s GLU 16 CO 0.56 -0.54 -0.09 0.99 -0.56 0.00 0.00 175.26 175.63 2kpm s THR 17 N 1.62 3.47 0.02 -1.70 2.01 -1.26 -5.12 115.64 114.67 2kpm s THR 17 Ca 0.04 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2kpm s THR 17 Cb -0.18 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2kpm s THR 17 CO 0.07 0.54 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.69 2kpm s LYS 18 N -0.08 2.38 0.01 4.92 2.20 -1.26 -5.08 119.74 122.83 2kpm s LYS 18 Ca -0.00 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.88 2kpm s LYS 18 Cb -0.13 -2.39 -0.02 0.00 -1.51 0.00 0.00 37.83 33.77 2kpm s LYS 18 CO 0.03 0.58 -0.26 -0.65 -0.36 0.00 0.00 175.35 174.69 2kpm s GLN 19 N -1.44 1.96 -0.03 4.03 -1.52 -1.26 -5.13 119.66 116.27 2kpm s GLN 19 Ca 0.16 -1.02 -0.21 0.00 -1.95 0.00 0.00 55.36 52.35 2kpm s GLN 19 Cb -0.11 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.62 2kpm s GLN 19 CO 0.07 0.54 0.61 0.00 -0.25 0.00 0.00 175.29 176.25 2kpm s ALA 20 N -0.71 3.45 -0.43 6.09 0.00 -1.26 -5.04 121.76 123.86 2kpm s ALA 20 Ca 0.11 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.83 2kpm s ALA 20 Cb -0.10 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.27 2kpm s ALA 20 CO 0.01 0.10 1.03 -0.06 0.00 0.00 0.00 175.76 176.83 2kpm s PHE 21 N 0.07 2.94 -0.74 0.00 0.08 -1.26 -5.01 117.98 114.05 2kpm s PHE 21 Ca 0.32 0.68 -0.26 0.00 0.12 0.00 0.00 56.93 57.79 2kpm s PHE 21 Cb -0.18 -4.06 0.04 0.00 -0.57 0.00 0.00 43.02 38.25 2kpm s PHE 21 CO 0.17 -1.08 1.22 -1.25 -0.10 0.00 0.00 175.22 174.18 2kpm s PRO 22 N 3.97 3.20 0.28 0.24 0.04 -1.26 -4.89 135.00 136.59 2kpm s PRO 22 Ca 0.42 -0.45 0.11 0.00 0.04 0.00 0.00 61.00 61.12 2kpm s PRO 22 Cb -0.09 -4.28 0.40 0.00 0.04 0.00 0.00 34.50 30.56 2kpm s PRO 22 CO 0.26 -2.07 1.64 0.07 0.04 0.00 0.00 177.00 176.93 2kpm h ARG 23 N 9.89 0.00 -0.23 4.56 0.11 -1.99 -2.87 114.38 123.85 2kpm h ARG 23 Ca -0.24 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.85 2kpm h ARG 23 Cb 1.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 2kpm h ARG 23 CO 1.27 0.59 0.16 0.87 0.10 0.00 0.00 179.97 182.95 2kpm h LYS 24 N 0.00 0.24 0.04 0.08 1.57 -1.99 0.60 116.57 117.11 2kpm h LYS 24 Ca -0.01 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2kpm h LYS 24 Cb 1.04 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2kpm h LYS 24 CO 0.08 0.16 -1.61 1.19 -0.57 0.00 0.00 179.45 178.69 2kpm n PHE 25 N -4.50 1.02 -0.02 -1.35 3.01 -1.20 -3.64 117.46 110.77 2kpm n PHE 25 Ca 0.01 0.35 -0.10 0.00 1.01 0.00 0.00 57.45 58.71 2kpm n PHE 25 Cb 0.13 -1.11 -0.04 0.00 -0.01 0.00 0.00 39.48 38.44 2kpm n PHE 25 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2kpm h VAL 26 N -0.62 1.02 -0.27 -4.37 2.07 -1.36 -1.34 116.25 111.38 2kpm h VAL 26 Ca -0.40 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2kpm h VAL 26 Cb 1.58 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2kpm h VAL 26 CO -0.12 0.03 -0.05 -0.07 0.02 0.00 0.00 177.57 177.38 2kpm h LEU 27 N 0.18 0.40 -0.11 2.57 3.38 -1.10 -0.64 115.31 119.99 2kpm h LEU 27 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kpm h LEU 27 Cb -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2kpm h LEU 27 CO -0.03 0.50 0.06 0.00 0.09 0.00 0.00 178.44 179.06 2kpm h ALA 28 N 1.55 0.14 -0.65 1.53 0.00 -1.48 -0.52 119.26 119.83 2kpm h ALA 28 Ca 0.09 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kpm h ALA 28 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kpm h ALA 28 CO 0.01 -0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.05 2kpm h ALA 29 N 0.97 0.97 0.33 0.00 0.00 -1.06 -2.84 119.26 117.63 2kpm h ALA 29 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kpm h ALA 29 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kpm h ALA 29 CO -0.01 0.65 -0.21 1.25 0.00 0.00 0.00 179.25 180.94 2kpm h LEU 30 N 1.00 -0.52 -1.58 0.00 5.85 -0.85 -0.91 115.31 118.29 2kpm h LEU 30 Ca 0.20 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 2kpm h LEU 30 Cb 0.42 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2kpm h LEU 30 CO 0.01 -0.33 -0.22 1.05 -0.34 0.00 0.00 178.44 178.61 2kpm h GLU 31 N -0.52 0.00 -0.00 1.25 4.11 -1.12 -1.92 114.58 116.38 2kpm h GLU 31 Ca -0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.14 2kpm h GLU 31 Cb 0.43 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.70 2kpm h GLU 31 CO 0.03 0.22 -1.02 1.96 0.07 0.00 0.00 179.01 180.27 2kpm h GLN 32 N 0.00 0.64 0.00 1.06 4.20 -1.29 -3.08 115.11 116.64 2kpm h GLN 32 Ca -0.00 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.02 2kpm h GLN 32 Cb 0.47 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2kpm h GLN 32 CO 0.03 1.28 0.00 0.43 -0.67 0.00 0.00 178.83 179.90 2kpm n SER 33 N -3.83 0.00 -4.73 1.46 7.64 -0.36 -4.85 113.62 108.95 2kpm n SER 33 Ca -0.10 -1.03 -0.41 0.00 1.01 0.00 0.00 58.87 58.34 2kpm n SER 33 Cb 0.87 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.04 2kpm n SER 33 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kpm s SER 34 N -1.91 7.01 0.96 6.43 0.01 -0.76 -4.27 113.70 121.18 2kpm s SER 34 Ca 0.41 2.25 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 2kpm s SER 34 Cb 0.19 -2.60 0.15 0.00 0.21 0.00 0.00 66.02 63.97 2kpm s SER 34 CO 0.31 -0.45 0.92 0.47 0.41 0.00 0.00 173.24 174.91 2kpm n ASP 35 N 2.87 0.16 0.34 2.44 8.00 0.65 -4.85 116.55 126.15 2kpm n ASP 35 Ca 0.06 -1.39 0.21 0.00 0.71 0.00 0.00 54.79 54.39 2kpm n ASP 35 Cb 0.44 -0.70 1.14 0.00 -0.02 0.00 0.00 41.12 41.98 2kpm n ASP 35 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kpm h ASP 36 N -1.17 0.00 -0.01 -2.24 3.58 -1.97 -0.60 116.42 114.02 2kpm h ASP 36 Ca -0.30 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2kpm h ASP 36 Cb 0.85 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2kpm h ASP 36 CO 0.22 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.58 2kpm n ALA 37 N -2.04 2.62 -1.02 -0.78 0.00 -1.26 -4.91 120.51 113.11 2kpm n ALA 37 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.04 2kpm n ALA 37 Cb 0.14 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 2kpm n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpm n GLY 38 N 1.12 0.44 3.11 0.00 0.00 -0.23 -5.05 105.19 104.58 2kpm n GLY 38 Ca 0.21 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 2kpm n GLY 38 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpm s TRP 39 N -2.03 1.22 -0.19 1.61 0.52 -1.26 -4.78 118.94 114.04 2kpm s TRP 39 Ca 0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 56.10 55.81 2kpm s TRP 39 Cb 0.00 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.53 2kpm s TRP 39 CO 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 176.95 176.96 2kpm s ALA 40 N -0.46 3.04 0.19 0.98 0.00 0.24 -0.26 121.76 125.49 2kpm s ALA 40 Ca 0.04 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 2kpm s ALA 40 Cb -0.06 -1.73 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 2kpm s ALA 40 CO -0.00 -0.06 1.54 1.21 0.00 0.00 0.00 175.76 178.45 2kpm s ASN 41 N 0.84 6.59 0.31 0.00 3.84 -1.26 -0.41 114.94 124.85 2kpm s ASN 41 Ca 0.00 2.64 0.04 0.00 0.21 0.00 0.00 52.86 55.75 2kpm s ASN 41 Cb -0.14 -2.60 0.80 0.00 -0.55 0.00 0.00 41.25 38.75 2kpm s ASN 41 CO 0.02 -0.80 1.60 0.25 -2.79 0.00 0.00 177.10 175.38 2kpm h LEU 42 N 6.33 -0.20 0.37 3.21 5.85 -1.14 0.17 115.31 129.91 2kpm h LEU 42 Ca -0.43 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2kpm h LEU 42 Cb 1.21 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2kpm h LEU 42 CO 0.88 -0.29 -0.18 1.23 -0.34 0.00 0.00 178.44 179.75 2kpm h GLY 43 N 0.08 -0.52 1.67 3.75 0.00 -1.90 -0.32 103.07 105.84 2kpm h GLY 43 Ca 0.60 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 48.09 2kpm h GLY 43 CO -0.79 -0.19 0.02 3.43 0.00 0.00 0.00 176.54 179.01 2kpm h ASN 44 N -0.51 0.38 0.75 0.19 2.35 -1.49 -0.74 115.58 116.53 2kpm h ASN 44 Ca -0.05 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 2kpm h ASN 44 Cb 0.39 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.67 2kpm h ASN 44 CO 0.08 0.43 -0.36 0.15 -1.65 0.00 0.00 177.43 176.08 2kpm h PHE 45 N 0.41 -0.94 -0.77 1.19 3.57 -0.57 -2.36 116.94 117.47 2kpm h PHE 45 Ca 0.09 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2kpm h PHE 45 Cb 0.24 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 2kpm h PHE 45 CO 0.01 -0.58 0.50 0.78 -2.23 0.00 0.00 178.31 176.79 2kpm h GLY 46 N -1.25 1.04 0.77 2.40 0.00 -0.97 0.18 103.07 105.23 2kpm h GLY 46 Ca -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2kpm h GLY 46 CO 0.17 0.24 -0.46 -0.57 0.00 0.00 0.00 176.54 175.92 2kpm h ASN 47 N 0.82 -1.19 1.04 0.19 -0.73 -1.15 -2.91 115.58 111.64 2kpm h ASN 47 Ca 0.33 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.49 2kpm h ASN 47 Cb 0.25 0.36 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 2kpm h ASN 47 CO -0.11 -0.70 -0.39 0.22 -0.37 0.00 0.00 177.43 176.08 2kpm h TYR 48 N -1.10 0.00 0.44 0.67 3.20 -1.16 -3.28 116.97 115.74 2kpm h TYR 48 Ca -0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2kpm h TYR 48 Cb 0.90 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.17 2kpm h TYR 48 CO -0.13 0.39 -0.21 1.25 -1.64 0.00 0.00 178.16 177.82 2kpm h LEU 49 N 0.00 -0.50 -2.06 2.82 5.85 -0.60 -2.84 115.31 117.98 2kpm h LEU 49 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kpm h LEU 49 Cb 1.02 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2kpm h LEU 49 CO 0.05 -0.34 -0.07 -1.13 -0.34 0.00 0.00 178.44 176.61 2kpm h ASN 50 N -0.61 0.00 -0.43 1.25 -0.73 -1.57 0.17 115.58 113.65 2kpm h ASN 50 Ca -0.06 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 2kpm h ASN 50 Cb 0.46 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 2kpm h ASN 50 CO 0.10 0.07 0.15 0.11 -0.37 0.00 0.00 177.43 177.49 2kpm h LYS 51 N 0.00 0.73 0.05 6.67 1.57 -1.57 -2.82 116.57 121.19 2kpm h LYS 51 Ca -0.00 -0.13 -0.31 0.00 -1.87 0.00 0.00 60.65 58.34 2kpm h LYS 51 Cb 0.16 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2kpm h LYS 51 CO 0.01 0.64 -1.78 -0.07 -0.57 0.00 0.00 179.45 177.68 2kpm h LEU 52 N 0.71 0.16 -6.84 2.94 3.38 -1.04 -3.43 115.31 111.18 2kpm h LEU 52 Ca 0.16 -0.34 -0.61 0.00 0.09 0.00 0.00 57.88 57.19 2kpm h LEU 52 Cb 0.22 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 40.52 2kpm h LEU 52 CO -0.01 1.30 -0.76 -1.10 0.09 0.00 0.00 178.44 177.96 2kpm s GLN 53 N -2.59 1.41 0.28 1.13 -1.52 0.46 -4.91 119.66 113.92 2kpm s GLN 53 Ca -0.10 -2.28 0.25 0.00 -1.95 0.00 0.00 55.36 51.28 2kpm s GLN 53 Cb 0.07 -2.30 0.95 0.00 -0.22 0.00 0.00 33.01 31.51 2kpm s GLN 53 CO 0.81 -1.24 1.75 -1.00 -0.25 0.00 0.00 175.29 175.36 2kpm h PRO 54 N 6.21 0.00 0.00 2.91 0.13 -1.77 -2.86 132.00 136.63 2kpm h PRO 54 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2kpm h PRO 54 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2kpm h PRO 54 CO 0.50 0.00 -0.10 -3.47 -0.23 0.00 0.00 178.00 174.70 2kpm n ASP 55 N -2.36 0.42 -4.30 1.44 2.03 -1.26 -4.65 116.55 107.86 2kpm n ASP 55 Ca 0.03 0.43 -0.45 0.00 0.52 0.00 0.00 54.79 55.32 2kpm n ASP 55 Cb 0.31 -0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 40.16 2kpm n ASP 55 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kpm s PHE 56 N -3.05 3.28 -0.04 -0.67 5.36 -1.08 -5.05 117.98 116.73 2kpm s PHE 56 Ca 0.12 -1.36 0.04 0.00 -0.96 0.00 0.00 56.93 54.77 2kpm s PHE 56 Cb 0.16 -3.71 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 2kpm s PHE 56 CO 0.59 -1.00 -0.16 0.34 -1.46 0.00 0.00 175.22 173.53 2kpm s ASP 57 N 3.38 1.99 0.24 6.13 2.15 -1.26 -4.91 116.67 124.39 2kpm s ASP 57 Ca 0.03 -0.32 -0.06 0.00 0.43 0.00 0.00 52.55 52.63 2kpm s ASP 57 Cb -0.29 -0.49 0.24 0.00 -0.30 0.00 0.00 42.92 42.08 2kpm s ASP 57 CO 0.03 0.15 1.85 0.28 -0.17 0.00 0.00 175.17 177.31 2kpm h SER 58 N 6.18 1.08 -0.40 -0.34 0.02 -1.93 -2.48 113.55 115.68 2kpm h SER 58 Ca -0.33 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.54 2kpm h SER 58 Cb 1.17 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2kpm h SER 58 CO 0.48 0.88 0.27 0.03 -1.14 0.00 0.00 176.83 177.35 2kpm h ARG 59 N 1.20 0.39 0.00 3.45 2.47 -1.83 -0.75 114.38 119.31 2kpm h ARG 59 Ca 0.30 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2kpm h ARG 59 Cb 0.06 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2kpm h ARG 59 CO -0.04 0.26 -0.01 -0.07 0.56 0.00 0.00 179.97 180.66 2kpm h LEU 60 N 0.40 0.00 -1.35 3.04 3.38 -1.75 -1.49 115.31 117.54 2kpm h LEU 60 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2kpm h LEU 60 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2kpm h LEU 60 CO -0.04 0.01 -0.03 -1.22 0.09 0.00 0.00 178.44 177.25 2kpm n TYR 61 N -4.52 0.00 -0.57 1.13 4.02 -0.34 -4.89 117.16 111.99 2kpm n TYR 61 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2kpm n TYR 61 Cb 0.10 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2kpm n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kpm n GLY 62 N 1.27 0.71 3.90 2.72 0.00 -0.56 -5.07 105.19 108.16 2kpm n GLY 62 Ca 0.16 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2kpm n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kpm s TYR 63 N -2.00 3.52 0.07 1.61 1.51 -0.87 -4.99 117.35 116.20 2kpm s TYR 63 Ca 0.00 0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 56.29 2kpm s TYR 63 Cb 0.00 -1.89 -0.10 0.00 -0.11 0.00 0.00 41.96 39.86 2kpm s TYR 63 CO 0.00 0.55 1.49 0.87 -1.11 0.00 0.00 175.55 177.35 2kpm h LYS 64 N 3.27 0.41 -3.50 -0.62 1.79 -1.96 -3.15 116.57 112.81 2kpm h LYS 64 Ca -0.47 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 57.80 2kpm h LYS 64 Cb 1.17 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.73 2kpm h LYS 64 CO 0.72 0.62 -0.00 -1.59 -1.08 0.00 0.00 179.45 178.12 2kpm s LYS 65 N -4.87 1.76 0.28 3.15 -2.85 -1.26 -4.73 119.74 111.22 2kpm s LYS 65 Ca -0.14 -1.31 0.01 0.00 -1.00 0.00 0.00 55.97 53.53 2kpm s LYS 65 Cb 0.07 0.52 0.55 0.00 -2.06 0.00 0.00 37.83 36.91 2kpm s LYS 65 CO 0.74 -0.76 1.82 1.25 0.10 0.00 0.00 175.35 178.50 2kpm h LEU 66 N 2.14 0.86 -0.55 2.77 5.85 -1.95 -2.10 115.31 122.33 2kpm h LEU 66 Ca -0.26 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.62 2kpm h LEU 66 Cb 1.25 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 2kpm h LEU 66 CO 0.34 0.44 0.10 0.77 -0.34 0.00 0.00 178.44 179.76 2kpm h SER 67 N 0.93 -0.03 0.33 1.25 4.64 -1.97 0.28 113.55 118.98 2kpm h SER 67 Ca 0.49 0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.85 2kpm h SER 67 Cb 0.52 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2kpm h SER 67 CO -0.28 0.01 -0.30 -0.78 -0.87 0.00 0.00 176.83 174.61 2kpm h ASP 68 N 0.23 0.00 0.22 4.97 3.58 -1.81 -3.06 116.42 120.55 2kpm h ASP 68 Ca 0.28 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2kpm h ASP 68 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2kpm h ASP 68 CO -0.37 0.30 -0.11 0.25 -2.88 0.00 0.00 179.24 176.43 2kpm h LEU 69 N 0.00 -0.25 -0.31 2.28 5.85 -0.98 -3.29 115.31 118.61 2kpm h LEU 69 Ca -0.00 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2kpm h LEU 69 Cb 0.54 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 2kpm h LEU 69 CO 0.04 0.27 -0.01 0.58 -0.34 0.00 0.00 178.44 178.98 2kpm h VAL 70 N -1.00 0.76 0.00 1.05 2.07 -1.04 -1.04 116.25 117.05 2kpm h VAL 70 Ca -0.03 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2kpm h VAL 70 Cb 0.42 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2kpm h VAL 70 CO 0.05 0.01 -0.02 0.07 0.02 0.00 0.00 177.57 177.70 2kpm h LYS 71 N 0.08 0.00 -0.00 1.57 2.10 -1.71 -0.39 116.57 118.22 2kpm h LYS 71 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2kpm h LYS 71 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 2kpm h LYS 71 CO -0.26 0.02 -0.23 0.00 -2.00 0.00 0.00 179.45 176.98 2kpm n ALA 72 N -2.15 3.01 -2.42 0.07 0.00 -0.42 -4.17 120.51 114.43 2kpm n ALA 72 Ca -0.02 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 2kpm n ALA 72 Cb 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2kpm n ALA 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kpm n ARG 73 N -0.92 3.35 0.27 0.00 5.12 -0.15 -4.87 116.66 119.45 2kpm n ARG 73 Ca 0.12 -4.39 0.17 0.00 -1.93 0.00 0.00 57.85 51.81 2kpm n ARG 73 Cb 0.32 -2.25 0.92 0.00 -1.16 0.00 0.00 32.46 30.29 2kpm n ARG 73 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2kpm h THR 74 N 2.51 0.40 0.00 0.55 1.35 -1.72 0.47 112.91 116.47 2kpm h THR 74 Ca 0.33 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.13 2kpm h THR 74 Cb 0.79 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2kpm h THR 74 CO 0.93 0.00 -0.29 -0.78 -0.25 0.00 0.00 175.52 175.12 2kpm h ASP 75 N 0.00 0.00 0.03 5.36 3.58 -1.93 -3.33 116.42 120.13 2kpm h ASP 75 Ca 0.04 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.10 2kpm h ASP 75 Cb 0.25 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 2kpm h ASP 75 CO -0.00 0.29 -2.35 0.18 -2.88 0.00 0.00 179.24 174.48 2kpm n LEU 76 N -3.28 2.77 -4.23 2.28 4.77 -0.04 -4.89 117.00 114.37 2kpm n LEU 76 Ca 0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 2kpm n LEU 76 Cb 0.56 -0.95 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 2kpm n LEU 76 CO 0.36 0.86 -0.54 -0.36 -1.33 0.00 0.00 177.39 176.39 2kpm s PHE 77 N -2.52 1.99 -0.31 -1.77 0.08 -0.07 -3.30 117.98 112.08 2kpm s PHE 77 Ca -0.33 -0.41 -0.22 0.00 0.12 0.00 0.00 56.93 56.09 2kpm s PHE 77 Cb 0.09 -1.28 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 2kpm s PHE 77 CO 0.62 -0.06 0.73 0.08 -0.10 0.00 0.00 175.22 176.49 2kpm s VAL 78 N -0.44 4.84 -0.13 -0.44 1.01 -0.21 -4.17 120.40 120.85 2kpm s VAL 78 Ca 0.06 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.08 2kpm s VAL 78 Cb -0.09 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2kpm s VAL 78 CO -0.00 -0.23 -0.16 0.42 0.00 0.00 0.00 175.10 175.12 2kpm s THR 79 N 2.85 2.71 -0.13 3.92 -4.23 -1.26 -1.98 115.64 117.51 2kpm s THR 79 Ca 0.30 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 59.91 2kpm s THR 79 Cb -0.14 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.61 2kpm s THR 79 CO 0.13 0.53 0.35 -1.61 -0.54 0.00 0.00 174.62 173.48 2kpm s GLU 80 N 0.47 0.41 -0.33 3.99 2.02 -0.79 -5.04 118.70 119.44 2kpm s GLU 80 Ca -0.11 0.48 -0.23 0.00 0.02 0.00 0.00 54.97 55.12 2kpm s GLU 80 Cb -0.16 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2kpm s GLU 80 CO 0.05 -0.05 0.76 -1.21 0.02 0.00 0.00 175.26 174.83 2kpm s GLU 81 N 0.16 3.87 -0.07 1.61 2.02 -1.26 -0.51 118.70 124.53 2kpm s GLU 81 Ca -0.00 0.44 0.04 0.00 0.02 0.00 0.00 54.97 55.47 2kpm s GLU 81 Cb -0.02 -3.76 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 2kpm s GLU 81 CO 0.01 -0.73 -0.19 1.03 0.02 0.00 0.00 175.26 175.40 2kpm s ARG 82 N 2.96 2.66 0.19 1.61 1.81 0.50 -4.90 118.95 123.78 2kpm s ARG 82 Ca 0.31 -0.79 -0.30 0.00 -1.72 0.00 0.00 55.73 53.23 2kpm s ARG 82 Cb -0.14 -2.32 -0.08 0.00 -0.45 0.00 0.00 34.95 31.97 2kpm s ARG 82 CO 0.14 0.45 0.99 -1.14 -0.68 0.00 0.00 175.30 175.06 2kpm s GLN 83 N -0.29 4.74 -0.24 3.54 0.74 -1.26 -0.12 119.66 126.76 2kpm s GLN 83 Ca 0.01 1.55 -0.22 0.00 0.05 0.00 0.00 55.36 56.76 2kpm s GLN 83 Cb -0.13 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.67 2kpm s GLN 83 CO 0.03 0.31 0.70 0.08 -0.55 0.00 0.00 175.29 175.86 2kpm s VAL 84 N -0.66 4.94 0.18 1.34 1.01 -1.20 -4.89 120.40 121.13 2kpm s VAL 84 Ca 0.45 1.30 -0.32 0.00 0.00 0.00 0.00 61.98 63.41 2kpm s VAL 84 Cb -0.26 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 31.99 2kpm s VAL 84 CO 0.33 0.01 1.74 -0.81 0.00 0.00 0.00 175.10 176.37 2kpm n PRO 85 N 5.68 2.73 -0.78 2.72 -0.04 -1.26 -1.44 135.00 142.60 2kpm n PRO 85 Ca 0.01 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2kpm n PRO 85 Cb 0.49 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2kpm n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kpm n GLY 86 N 3.99 0.58 3.11 0.55 0.00 -1.26 -5.05 105.19 107.11 2kpm n GLY 86 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2kpm n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kpm s SER 87 N -2.22 0.74 -0.02 1.61 0.01 -0.52 -5.07 113.70 108.22 2kpm s SER 87 Ca 0.00 -0.91 0.12 0.00 1.31 0.00 0.00 55.95 56.47 2kpm s SER 87 Cb 0.00 0.14 -0.23 0.00 0.21 0.00 0.00 66.02 66.14 2kpm s SER 87 CO 0.00 -0.48 0.74 0.00 0.41 0.00 0.00 173.24 173.91 2kpm h THR 88 N 3.35 0.94 -3.59 1.44 1.03 -1.97 -3.43 112.91 110.68 2kpm h THR 88 Ca -0.34 -2.77 -0.50 0.00 -0.01 0.00 0.00 66.41 62.78 2kpm h THR 88 Cb 1.16 2.46 -0.01 0.00 -1.07 0.00 0.00 68.15 70.69 2kpm h THR 88 CO 0.61 0.54 0.04 0.00 -0.01 0.00 0.00 175.52 176.70 2kpm s GLN 89 N -2.62 3.80 -0.14 0.00 -2.07 -1.26 -4.99 119.66 112.39 2kpm s GLN 89 Ca -0.04 0.41 -0.09 0.00 -1.82 0.00 0.00 55.36 53.83 2kpm s GLN 89 Cb 0.08 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.49 2kpm s GLN 89 CO 0.82 0.08 0.16 -1.59 -1.32 0.00 0.00 175.29 173.45 2kpm s LYS 90 N -3.50 3.73 -0.06 9.60 -2.85 -1.26 -3.24 119.74 122.16 2kpm s LYS 90 Ca 0.50 -0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.36 2kpm s LYS 90 Cb -0.10 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.36 2kpm s LYS 90 CO 0.27 0.61 -0.03 0.00 0.10 0.00 0.00 175.35 176.29 2kpm s ALA 91 N -0.55 3.14 -0.45 0.59 0.00 0.82 -4.86 121.76 120.45 2kpm s ALA 91 Ca 0.14 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 2kpm s ALA 91 Cb -0.12 -1.32 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2kpm s ALA 91 CO 0.03 0.59 1.25 -1.17 0.00 0.00 0.00 175.76 176.46 2kpm s LEU 92 N -1.01 3.63 0.04 0.00 2.96 -1.26 -0.37 118.68 122.67 2kpm s LEU 92 Ca 0.14 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.59 2kpm s LEU 92 Cb -0.11 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2kpm s LEU 92 CO 0.04 -1.31 0.35 -0.31 -1.32 0.00 0.00 176.35 173.79 2kpm s TYR 93 N 4.82 3.59 0.07 5.38 1.51 0.33 -0.47 117.35 132.59 2kpm s TYR 93 Ca 0.53 0.71 0.05 0.00 -1.01 0.00 0.00 57.07 57.36 2kpm s TYR 93 Cb -0.10 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2kpm s TYR 93 CO 0.32 0.57 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.67 2kpm s LEU 94 N -1.79 2.28 0.17 -1.29 1.43 0.46 -1.88 118.68 118.07 2kpm s LEU 94 Ca 0.30 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 2kpm s LEU 94 Cb -0.14 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.58 2kpm s LEU 94 CO 0.17 -0.08 0.44 0.00 0.23 0.00 0.00 176.35 177.11 2kpm s ARG 95 N -1.79 1.27 0.51 1.70 1.70 -0.84 -0.60 118.95 120.90 2kpm s ARG 95 Ca -0.01 -0.92 -0.22 0.00 -0.47 0.00 0.00 55.73 54.11 2kpm s ARG 95 Cb -0.10 0.47 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 2kpm s ARG 95 CO 0.02 -0.51 1.22 0.00 -1.08 0.00 0.00 175.30 174.96 2kpm s ALA 96 N -3.89 2.86 -0.27 7.88 0.00 -1.26 -1.05 121.76 126.03 2kpm s ALA 96 Ca 0.10 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 2kpm s ALA 96 Cb 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2kpm s ALA 96 CO -0.04 -0.94 0.86 0.21 0.00 0.00 0.00 175.76 175.86 2kpm s LYS 97 N -2.87 4.10 -0.46 0.00 2.47 -1.21 -4.69 119.74 117.08 2kpm s LYS 97 Ca 0.68 0.87 -0.08 0.00 -1.56 0.00 0.00 55.97 55.88 2kpm s LYS 97 Cb -0.32 -3.69 0.12 0.00 -1.46 0.00 0.00 37.83 32.48 2kpm s LYS 97 CO 0.38 -0.63 0.32 -0.51 0.16 0.00 0.00 175.35 175.07 2kpm s LEU 98 N 3.02 5.62 0.64 5.43 1.43 -1.26 -5.05 118.68 128.50 2kpm s LEU 98 Ca 0.36 -1.90 -0.15 0.00 -1.03 0.00 0.00 54.13 51.41 2kpm s LEU 98 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2kpm s LEU 98 CO 0.10 -0.67 1.08 -1.83 0.23 0.00 0.00 176.35 175.27 2kpm s GLU 99 N 1.34 2.97 -1.13 1.70 1.03 -1.26 -4.93 118.70 118.42 2kpm s GLU 99 Ca 0.06 1.27 -0.21 0.00 0.03 0.00 0.00 54.97 56.11 2kpm s GLU 99 Cb -0.26 -1.98 0.02 0.00 -0.80 0.00 0.00 34.13 31.11 2kpm s GLU 99 CO -0.01 -1.10 1.72 -1.01 -1.33 0.00 0.00 175.26 173.53 2kpm s HIS 100 N -2.48 2.39 -0.28 4.83 3.76 -1.26 -4.94 115.29 117.31 2kpm s HIS 100 Ca 0.64 -0.63 -0.38 0.00 -0.15 0.00 0.00 55.06 54.54 2kpm s HIS 100 Cb -0.18 -4.49 -0.14 0.00 1.11 0.00 0.00 32.58 28.88 2kpm s HIS 100 CO 0.42 -1.73 1.91 -2.39 -0.85 0.00 0.00 174.74 172.10 2kpm n HIS 101 N 10.55 1.94 -2.83 1.40 1.44 -1.26 -4.91 115.22 121.54 2kpm n HIS 101 Ca 0.42 0.39 -0.42 0.00 -2.01 0.00 0.00 57.72 56.09 2kpm n HIS 101 Cb 0.48 -2.51 -0.04 0.00 0.12 0.00 0.00 29.99 28.04 2kpm n HIS 101 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kpm s HIS 102 N 4.83 3.09 0.07 -1.40 5.04 -1.26 -5.02 115.29 120.63 2kpm s HIS 102 Ca 1.02 0.73 -0.31 0.00 -1.54 0.00 0.00 55.06 54.96 2kpm s HIS 102 Cb -0.97 -3.60 -0.06 0.00 0.04 0.00 0.00 32.58 27.99 2kpm s HIS 102 CO 0.59 -0.81 1.25 -3.38 -2.34 0.00 0.00 174.74 170.05 2kpm s HIS 103 N 3.40 3.37 -0.26 3.88 -3.43 -1.26 -5.00 115.29 115.99 2kpm s HIS 103 Ca 0.37 1.21 -0.20 0.00 -0.80 0.00 0.00 55.06 55.64 2kpm s HIS 103 Cb -0.12 -3.48 -0.02 0.00 -1.43 0.00 0.00 32.58 27.53 2kpm s HIS 103 CO 0.18 -1.55 0.62 -1.58 -2.00 0.00 0.00 174.74 170.42 2kpm s HIS 104 N 1.15 3.28 0.00 0.38 5.04 -1.26 -5.34 115.29 118.54 2kpm s HIS 104 Ca 0.60 0.80 0.00 0.00 -1.54 0.00 0.00 55.06 54.92 2kpm s HIS 104 Cb -0.31 -2.84 0.00 0.00 0.04 0.00 0.00 32.58 29.47 2kpm s HIS 104 CO 0.29 -0.33 0.00 1.58 -2.34 0.00 0.00 174.74 173.94