#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 6.56 -0.26 7.83 -4.77 -1.26 -5.01 116.67 119.75 2kpm s ASP 2 Ca 0.00 2.81 0.00 0.00 -3.30 0.00 0.00 52.55 52.06 2kpm s ASP 2 Cb 0.00 -2.64 0.08 0.00 -1.09 0.00 0.00 42.92 39.27 2kpm s ASP 2 CO 0.00 -0.74 0.02 0.00 0.70 0.00 0.00 175.17 175.15 2kpm s GLN 3 N -1.13 1.19 -0.11 2.11 -2.07 -1.26 -5.10 119.66 113.29 2kpm s GLN 3 Ca 0.56 -1.05 -0.01 0.00 -1.82 0.00 0.00 55.36 53.04 2kpm s GLN 3 Cb -0.43 -2.43 0.03 0.00 -1.09 0.00 0.00 33.01 29.09 2kpm s GLN 3 CO 0.51 -0.76 -0.02 0.21 -1.32 0.00 0.00 175.29 173.91 2kpm s LYS 4 N 1.46 0.94 -1.23 9.60 2.20 -1.26 -5.07 119.74 126.38 2kpm s LYS 4 Ca 0.02 -0.14 -0.21 0.00 -0.36 0.00 0.00 55.97 55.28 2kpm s LYS 4 Cb -0.18 -1.42 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 2kpm s LYS 4 CO -0.12 -0.36 1.84 0.45 -0.36 0.00 0.00 175.35 176.80 2kpm s SER 5 N 1.85 5.84 -0.15 1.43 0.15 -1.26 -4.94 113.70 116.61 2kpm s SER 5 Ca 0.04 -2.00 -0.07 0.00 0.70 0.00 0.00 55.95 54.62 2kpm s SER 5 Cb -0.13 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2kpm s SER 5 CO -0.07 -2.23 0.07 -0.94 1.20 0.00 0.00 173.24 171.28 2kpm s SER 6 N 5.50 5.78 -0.42 5.45 1.04 -1.26 -5.09 113.70 124.70 2kpm s SER 6 Ca 0.62 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 2kpm s SER 6 Cb 0.01 -1.91 0.07 0.00 0.10 0.00 0.00 66.02 64.30 2kpm s SER 6 CO 0.11 0.27 0.28 -0.94 0.98 0.00 0.00 173.24 173.93 2kpm s SER 7 N -0.17 5.74 -0.78 7.02 1.04 -1.26 -5.04 113.70 120.25 2kpm s SER 7 Ca 0.08 -1.42 -0.25 0.00 0.48 0.00 0.00 55.95 54.83 2kpm s SER 7 Cb -0.12 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 63.95 2kpm s SER 7 CO 0.01 -0.54 1.83 -2.16 0.98 0.00 0.00 173.24 173.36 2kpm s PRO 8 N 1.48 2.70 -0.36 4.02 0.04 -1.26 -4.96 135.00 136.66 2kpm s PRO 8 Ca 0.03 0.02 -0.22 0.00 0.04 0.00 0.00 61.00 60.87 2kpm s PRO 8 Cb -0.23 -4.75 0.01 0.00 0.04 0.00 0.00 34.50 29.57 2kpm s PRO 8 CO 0.03 -2.95 0.75 -0.65 0.04 0.00 0.00 177.00 174.22 2kpm s GLN 9 N 6.79 3.75 0.44 4.56 -0.21 -1.26 -5.06 119.66 128.67 2kpm s GLN 9 Ca 0.65 0.27 -0.03 0.00 0.02 0.00 0.00 55.36 56.26 2kpm s GLN 9 Cb -0.09 -3.80 -0.03 0.00 1.00 0.00 0.00 33.01 30.09 2kpm s GLN 9 CO 0.08 -0.81 0.70 -1.25 -2.12 0.00 0.00 175.29 171.90 2kpm s PRO 10 N 2.99 3.51 0.13 2.91 0.04 -1.26 -5.02 135.00 138.31 2kpm s PRO 10 Ca 0.30 0.00 0.08 0.00 0.04 0.00 0.00 61.00 61.41 2kpm s PRO 10 Cb -0.14 -2.48 -0.18 0.00 0.04 0.00 0.00 34.50 31.75 2kpm s PRO 10 CO 0.16 -0.09 1.30 0.00 0.04 0.00 0.00 177.00 178.41 2kpm h ALA 11 N 0.40 0.39 -3.17 8.56 0.00 -2.06 -3.44 119.26 119.94 2kpm h ALA 11 Ca -0.48 -0.87 -0.62 0.00 0.00 0.00 0.00 54.91 52.93 2kpm h ALA 11 Cb 1.21 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.68 2kpm h ALA 11 CO 0.61 1.20 -0.56 0.00 0.00 0.00 0.00 179.25 180.51 2kpm s ALA 12 N -2.75 3.42 0.27 0.00 0.00 -1.26 -5.10 121.76 116.34 2kpm s ALA 12 Ca 0.01 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 2kpm s ALA 12 Cb 0.10 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 2kpm s ALA 12 CO 0.81 -0.05 0.66 -0.65 0.00 0.00 0.00 175.76 176.54 2kpm s GLN 13 N 0.79 3.96 -0.16 0.00 -1.52 -1.26 -5.08 119.66 116.38 2kpm s GLN 13 Ca 0.05 0.56 -0.04 0.00 -1.95 0.00 0.00 55.36 53.98 2kpm s GLN 13 Cb -0.13 -2.58 -0.03 0.00 -0.22 0.00 0.00 33.01 30.06 2kpm s GLN 13 CO 0.02 0.25 -0.03 0.00 -0.25 0.00 0.00 175.29 175.28 2kpm s ALA 14 N -1.85 3.01 -0.53 6.09 0.00 -1.26 -5.06 121.76 122.16 2kpm s ALA 14 Ca 0.50 -0.84 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 2kpm s ALA 14 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 2kpm s ALA 14 CO 0.19 0.17 1.93 -2.14 0.00 0.00 0.00 175.76 175.91 2kpm s PRO 15 N 0.43 2.72 0.43 0.00 0.02 -1.26 -4.98 135.00 132.36 2kpm s PRO 15 Ca -0.03 0.92 0.07 0.00 0.02 0.00 0.00 61.00 61.97 2kpm s PRO 15 Cb -0.14 -4.37 0.07 0.00 0.02 0.00 0.00 34.50 30.07 2kpm s PRO 15 CO 0.03 -2.60 0.55 0.39 -0.33 0.00 0.00 177.00 175.03 2kpm n GLU 16 N 8.98 0.74 -2.63 5.54 1.02 -1.26 -5.09 120.64 127.93 2kpm n GLU 16 Ca 0.23 -2.39 -0.40 0.00 -0.02 0.00 0.00 57.16 54.58 2kpm n GLU 16 Cb 0.51 -0.10 -0.05 0.00 -0.02 0.00 0.00 31.44 31.79 2kpm n GLU 16 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2kpm s THR 17 N -1.77 3.97 -0.21 2.62 2.01 -1.26 -5.05 115.64 115.95 2kpm s THR 17 Ca 0.42 1.85 -0.07 0.00 0.31 0.00 0.00 61.69 64.19 2kpm s THR 17 Cb -0.03 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2kpm s THR 17 CO 0.26 0.39 0.06 -0.75 -0.69 0.00 0.00 174.62 173.89 2kpm s LYS 18 N -0.86 3.80 0.46 4.92 2.20 -1.26 -4.95 119.74 124.06 2kpm s LYS 18 Ca 0.45 -0.42 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 2kpm s LYS 18 Cb -0.28 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 2kpm s LYS 18 CO 0.34 0.06 0.90 -0.65 -0.36 0.00 0.00 175.35 175.64 2kpm s GLN 19 N 0.95 3.93 0.12 4.03 -1.52 -1.26 -5.06 119.66 120.86 2kpm s GLN 19 Ca 0.04 0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 54.02 2kpm s GLN 19 Cb -0.14 -2.23 -0.07 0.00 -0.22 0.00 0.00 33.01 30.34 2kpm s GLN 19 CO 0.03 -0.15 0.70 0.00 -0.25 0.00 0.00 175.29 175.62 2kpm s ALA 20 N -2.47 3.49 -0.47 6.09 0.00 -1.26 -5.05 121.76 122.09 2kpm s ALA 20 Ca 0.57 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 2kpm s ALA 20 Cb -0.10 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.20 2kpm s ALA 20 CO 0.29 0.31 0.74 -0.06 0.00 0.00 0.00 175.76 177.04 2kpm s PHE 21 N -1.05 2.99 -0.74 0.00 0.08 -1.26 -5.02 117.98 112.97 2kpm s PHE 21 Ca 0.34 -0.05 -0.25 0.00 0.12 0.00 0.00 56.93 57.09 2kpm s PHE 21 Cb -0.22 -3.61 0.05 0.00 -0.57 0.00 0.00 43.02 38.67 2kpm s PHE 21 CO 0.24 -1.02 1.20 -1.25 -0.10 0.00 0.00 175.22 174.29 2kpm s PRO 22 N 3.15 3.21 0.29 0.24 0.04 -1.26 -4.89 135.00 135.78 2kpm s PRO 22 Ca 0.25 -0.52 0.17 0.00 0.04 0.00 0.00 61.00 60.95 2kpm s PRO 22 Cb -0.14 -4.30 0.10 0.00 0.04 0.00 0.00 34.50 30.20 2kpm s PRO 22 CO 0.19 -2.05 1.40 0.07 0.04 0.00 0.00 177.00 176.65 2kpm h ARG 23 N 9.85 0.00 -0.27 4.56 0.11 -1.99 -2.99 114.38 123.65 2kpm h ARG 23 Ca -0.23 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.85 2kpm h ARG 23 Cb 1.05 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 2kpm h ARG 23 CO 1.26 0.35 0.16 0.87 0.10 0.00 0.00 179.97 182.71 2kpm h LYS 24 N 0.00 0.32 -0.14 0.08 1.57 -1.99 0.43 116.57 116.83 2kpm h LYS 24 Ca -0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2kpm h LYS 24 Cb 1.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2kpm h LYS 24 CO 0.05 0.21 -0.30 0.74 -0.57 0.00 0.00 179.45 179.58 2kpm h PHE 25 N 0.33 0.58 0.22 -1.35 0.04 -1.99 -2.43 116.94 112.34 2kpm h PHE 25 Ca 0.10 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 2kpm h PHE 25 Cb -0.01 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2kpm h PHE 25 CO -0.07 0.92 -0.11 0.28 -0.60 0.00 0.00 178.31 178.73 2kpm h VAL 26 N 0.07 0.81 -0.41 -0.55 2.07 -1.43 -1.06 116.25 115.75 2kpm h VAL 26 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2kpm h VAL 26 Cb 0.90 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2kpm h VAL 26 CO 0.07 0.04 0.05 -0.07 0.02 0.00 0.00 177.57 177.67 2kpm h LEU 27 N -0.39 0.59 -0.37 2.57 3.38 -1.03 0.12 115.31 120.19 2kpm h LEU 27 Ca -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2kpm h LEU 27 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kpm h LEU 27 CO 0.05 0.63 0.24 0.00 0.09 0.00 0.00 178.44 179.45 2kpm h ALA 28 N 1.45 0.46 -0.44 1.53 0.00 -1.27 -1.44 119.26 119.56 2kpm h ALA 28 Ca 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2kpm h ALA 28 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kpm h ALA 28 CO 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 179.25 179.09 2kpm h ALA 29 N 1.13 1.02 0.60 0.00 0.00 -0.71 -2.62 119.26 118.68 2kpm h ALA 29 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kpm h ALA 29 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kpm h ALA 29 CO -0.03 0.59 -0.42 1.25 0.00 0.00 0.00 179.25 180.64 2kpm h LEU 30 N 0.71 -1.10 -0.92 0.00 5.85 -0.38 -1.00 115.31 118.48 2kpm h LEU 30 Ca 0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2kpm h LEU 30 Cb 0.56 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2kpm h LEU 30 CO 0.03 -0.63 0.59 1.05 -0.34 0.00 0.00 178.44 179.14 2kpm h GLU 31 N -0.99 1.22 0.00 1.25 4.11 -1.32 -0.53 114.58 118.32 2kpm h GLU 31 Ca -0.07 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2kpm h GLU 31 Cb 0.82 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2kpm h GLU 31 CO 0.04 0.83 0.00 1.96 0.07 0.00 0.00 179.01 181.90 2kpm h GLN 32 N 1.25 0.00 -0.47 1.06 4.20 -1.33 -0.78 115.11 119.04 2kpm h GLN 32 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2kpm h GLN 32 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2kpm h GLN 32 CO -0.07 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.52 2kpm n SER 33 N -2.30 3.34 -4.82 1.46 7.64 -0.29 -4.99 113.62 113.66 2kpm n SER 33 Ca 0.01 -1.96 -0.37 0.00 1.01 0.00 0.00 58.87 57.56 2kpm n SER 33 Cb 0.18 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.10 6.62 1.10 6.43 0.01 -0.30 -3.95 113.70 122.50 2kpm s SER 34 Ca 0.35 0.73 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 2kpm s SER 34 Cb 0.19 -2.19 0.20 0.00 0.21 0.00 0.00 66.02 64.43 2kpm s SER 34 CO 0.25 0.29 0.89 0.47 0.41 0.00 0.00 173.24 175.55 2kpm n ASP 35 N 2.31 -0.92 0.22 2.44 8.00 0.55 -4.84 116.55 124.31 2kpm n ASP 35 Ca -0.15 -1.16 0.12 0.00 0.71 0.00 0.00 54.79 54.31 2kpm n ASP 35 Cb 0.53 -0.74 0.71 0.00 -0.02 0.00 0.00 41.12 41.59 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 -1.81 0.00 0.00 -2.24 3.58 -1.99 0.18 116.42 114.14 2kpm h ASP 36 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2kpm h ASP 36 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2kpm h ASP 36 CO 0.21 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.57 2kpm n ALA 37 N -2.50 2.49 -0.90 -0.78 0.00 -1.26 -4.86 120.51 112.70 2kpm n ALA 37 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kpm n ALA 37 Cb 0.18 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 0.66 0.84 3.77 0.00 0.00 0.05 -5.03 105.19 105.48 2kpm n GLY 38 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.31 3.54 -0.25 1.61 0.52 -1.26 -4.66 118.94 115.14 2kpm s TRP 39 Ca 0.00 0.67 -0.06 0.00 0.02 0.00 0.00 56.10 56.73 2kpm s TRP 39 Cb 0.00 -2.28 -0.02 0.00 -1.15 0.00 0.00 33.47 30.03 2kpm s TRP 39 CO 0.00 0.39 0.03 0.00 0.02 0.00 0.00 176.95 177.40 2kpm s ALA 40 N -0.07 3.03 0.20 0.98 0.00 -0.04 -0.33 121.76 125.53 2kpm s ALA 40 Ca 0.18 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.65 2kpm s ALA 40 Cb -0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 2kpm s ALA 40 CO 0.06 -0.52 1.53 1.21 0.00 0.00 0.00 175.76 178.04 2kpm s ASN 41 N 1.56 6.58 0.33 0.00 3.84 -1.25 -0.62 114.94 125.37 2kpm s ASN 41 Ca 0.06 2.67 0.11 0.00 0.21 0.00 0.00 52.86 55.91 2kpm s ASN 41 Cb -0.15 -2.61 0.98 0.00 -0.55 0.00 0.00 41.25 38.92 2kpm s ASN 41 CO 0.01 -0.80 1.67 0.25 -2.79 0.00 0.00 177.10 175.45 2kpm h LEU 42 N 6.04 0.45 -0.76 3.21 5.85 -1.68 0.15 115.31 128.58 2kpm h LEU 42 Ca -0.44 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2kpm h LEU 42 Cb 1.21 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 2kpm h LEU 42 CO 0.86 -0.10 0.48 1.23 -0.34 0.00 0.00 178.44 180.57 2kpm h GLY 43 N 0.35 1.11 0.63 3.75 0.00 -1.90 -0.61 103.07 106.40 2kpm h GLY 43 Ca 0.68 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 2kpm h GLY 43 CO -0.59 0.30 -0.26 3.43 0.00 0.00 0.00 176.54 179.42 2kpm h ASN 44 N 0.93 0.34 0.05 0.19 2.35 -1.12 -3.08 115.58 115.24 2kpm h ASN 44 Ca 0.31 -0.64 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 2kpm h ASN 44 Cb 0.04 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2kpm h ASN 44 CO -0.12 0.92 -0.25 0.15 -1.65 0.00 0.00 177.43 176.48 2kpm h PHE 45 N -0.23 -0.66 -0.01 1.19 3.57 -0.96 0.20 116.94 120.04 2kpm h PHE 45 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2kpm h PHE 45 Cb 0.90 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 2kpm h PHE 45 CO 0.13 -0.34 0.01 0.78 -2.23 0.00 0.00 178.31 176.66 2kpm h GLY 46 N -0.41 0.00 0.26 2.40 0.00 -1.23 0.57 103.07 104.66 2kpm h GLY 46 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 2kpm h GLY 46 CO -0.18 0.00 -0.10 -0.57 0.00 0.00 0.00 176.54 175.68 2kpm h ASN 47 N 0.00 -0.24 0.45 0.19 -0.73 -1.24 -3.24 115.58 110.77 2kpm h ASN 47 Ca 0.01 -0.14 -0.14 0.00 1.87 0.00 0.00 56.30 57.90 2kpm h ASN 47 Cb 0.03 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2kpm h ASN 47 CO -0.00 0.27 -0.59 0.22 -0.37 0.00 0.00 177.43 176.96 2kpm h TYR 48 N -1.02 0.18 -0.14 0.67 3.20 -0.85 -3.06 116.97 115.95 2kpm h TYR 48 Ca -0.03 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2kpm h TYR 48 Cb 0.37 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2kpm h TYR 48 CO 0.04 0.70 0.09 1.25 -1.64 0.00 0.00 178.16 178.59 2kpm h LEU 49 N 0.10 0.17 -2.23 2.82 5.85 -1.05 -2.62 115.31 118.35 2kpm h LEU 49 Ca -0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kpm h LEU 49 Cb 1.08 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 2kpm h LEU 49 CO 0.09 0.15 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.16 2kpm h ASN 50 N 0.17 0.00 -0.38 1.25 -0.73 -1.56 -0.59 115.58 113.75 2kpm h ASN 50 Ca 0.05 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2kpm h ASN 50 Cb 0.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 2kpm h ASN 50 CO -0.01 0.04 0.24 0.11 -0.37 0.00 0.00 177.43 177.45 2kpm h LYS 51 N 0.00 0.50 0.16 6.67 1.57 -1.40 -2.30 116.57 121.77 2kpm h LYS 51 Ca -0.00 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.52 2kpm h LYS 51 Cb 0.10 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.33 2kpm h LYS 51 CO 0.01 0.35 -0.99 -0.07 -0.57 0.00 0.00 179.45 178.18 2kpm h LEU 52 N 0.51 0.59 -6.85 2.94 3.38 -1.30 -3.41 115.31 111.16 2kpm h LEU 52 Ca 0.14 -0.93 -0.61 0.00 0.09 0.00 0.00 57.88 56.57 2kpm h LEU 52 Cb -0.04 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 40.11 2kpm h LEU 52 CO -0.03 1.47 -0.73 -1.10 0.09 0.00 0.00 178.44 178.15 2kpm s GLN 53 N -2.55 1.78 0.18 1.13 -1.52 -0.32 -4.92 119.66 113.44 2kpm s GLN 53 Ca -0.12 -2.73 0.22 0.00 -1.95 0.00 0.00 55.36 50.78 2kpm s GLN 53 Cb 0.02 -2.62 0.90 0.00 -0.22 0.00 0.00 33.01 31.08 2kpm s GLN 53 CO 0.87 -1.29 1.68 -0.35 -0.25 0.00 0.00 175.29 175.94 2kpm n PRO 54 N 2.52 0.15 0.00 2.91 -0.04 -0.87 -2.14 135.00 137.53 2kpm n PRO 54 Ca 0.21 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 2kpm n PRO 54 Cb 0.39 -1.77 0.56 0.00 -0.04 0.00 0.00 33.50 32.64 2kpm n PRO 54 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kpm n ASP 55 N -2.05 0.22 -4.39 3.54 2.03 -1.26 -4.68 116.55 109.96 2kpm n ASP 55 Ca 0.03 -0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.89 2kpm n ASP 55 Cb 0.25 -0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 40.40 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 -2.82 2.94 -0.00 -0.67 5.36 -0.91 -5.03 117.98 116.85 2kpm s PHE 56 Ca 0.19 -0.90 0.05 0.00 -0.96 0.00 0.00 56.93 55.31 2kpm s PHE 56 Cb 0.19 -4.08 -0.01 0.00 -0.34 0.00 0.00 43.02 38.78 2kpm s PHE 56 CO 0.54 -1.37 -0.16 0.34 -1.46 0.00 0.00 175.22 173.12 2kpm s ASP 57 N 3.63 1.84 0.30 6.13 2.15 -1.26 -4.96 116.67 124.49 2kpm s ASP 57 Ca 0.14 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.80 2kpm s ASP 57 Cb -0.22 -0.19 0.45 0.00 -0.30 0.00 0.00 42.92 42.65 2kpm s ASP 57 CO 0.06 0.17 1.89 0.77 -0.17 0.00 0.00 175.17 177.90 2kpm h SER 58 N 5.63 0.82 0.17 -0.34 4.64 -1.88 -2.67 113.55 119.92 2kpm h SER 58 Ca -0.36 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2kpm h SER 58 Cb 1.16 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2kpm h SER 58 CO 0.48 0.71 -0.08 0.03 -0.87 0.00 0.00 176.83 177.10 2kpm h ARG 59 N 0.90 0.00 -0.03 4.77 2.47 -1.86 0.42 114.38 121.04 2kpm h ARG 59 Ca 0.22 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.88 2kpm h ARG 59 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2kpm h ARG 59 CO -0.03 0.08 -0.25 -0.07 0.56 0.00 0.00 179.97 180.26 2kpm h LEU 60 N 0.00 0.06 -0.44 3.04 3.38 -1.79 -2.39 115.31 117.16 2kpm h LEU 60 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kpm h LEU 60 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2kpm h LEU 60 CO 0.01 0.31 -0.35 -1.22 0.09 0.00 0.00 178.44 177.28 2kpm n TYR 61 N -4.22 0.00 -0.43 1.13 4.01 0.04 -4.83 117.16 112.86 2kpm n TYR 61 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2kpm n TYR 61 Cb 0.32 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2kpm n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kpm n GLY 62 N 1.38 0.77 3.88 2.72 0.00 -0.86 -5.08 105.19 108.01 2kpm n GLY 62 Ca 0.10 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 3.61 0.28 1.61 1.51 -0.60 -4.96 117.35 116.80 2kpm s TYR 63 Ca 0.00 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.67 2kpm s TYR 63 Cb 0.00 -1.99 0.41 0.00 -0.11 0.00 0.00 41.96 40.27 2kpm s TYR 63 CO 0.00 0.69 1.73 0.87 -1.11 0.00 0.00 175.55 177.73 2kpm h LYS 64 N 4.61 0.51 -3.73 -0.62 1.79 -1.96 -3.06 116.57 114.11 2kpm h LYS 64 Ca -0.53 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 57.64 2kpm h LYS 64 Cb 1.22 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.75 2kpm h LYS 64 CO 0.61 0.70 -0.11 -1.59 -1.08 0.00 0.00 179.45 177.99 2kpm s LYS 65 N -4.55 1.70 0.11 3.15 -2.85 -1.26 -4.86 119.74 111.18 2kpm s LYS 65 Ca -0.07 -1.41 -0.20 0.00 -1.00 0.00 0.00 55.97 53.29 2kpm s LYS 65 Cb 0.14 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.31 2kpm s LYS 65 CO 0.79 -0.71 1.71 1.25 0.10 0.00 0.00 175.35 178.49 2kpm h LEU 66 N 2.20 0.26 -1.09 2.77 5.85 -1.96 -2.63 115.31 120.70 2kpm h LEU 66 Ca -0.27 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.47 2kpm h LEU 66 Cb 1.25 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 2kpm h LEU 66 CO 0.37 0.26 0.61 0.77 -0.34 0.00 0.00 178.44 180.12 2kpm h SER 67 N 0.24 0.89 -0.86 1.25 4.64 -1.98 0.50 113.55 118.22 2kpm h SER 67 Ca 0.07 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 2kpm h SER 67 Cb 0.06 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 2kpm h SER 67 CO -0.01 0.51 0.56 -0.78 -0.87 0.00 0.00 176.83 176.24 2kpm h ASP 68 N 0.97 0.82 -0.00 4.97 3.58 -1.89 -1.37 116.42 123.50 2kpm h ASP 68 Ca 0.45 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.91 2kpm h ASP 68 Cb 0.42 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kpm h ASP 68 CO -0.21 0.52 -0.03 0.25 -2.88 0.00 0.00 179.24 176.88 2kpm h LEU 69 N 0.93 0.03 -0.23 2.28 5.85 -0.93 -3.20 115.31 120.05 2kpm h LEU 69 Ca 0.38 -0.77 0.05 0.00 0.84 0.00 0.00 57.88 58.38 2kpm h LEU 69 Cb 0.27 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2kpm h LEU 69 CO -0.14 0.80 -0.10 0.58 -0.34 0.00 0.00 178.44 179.23 2kpm h VAL 70 N -0.74 0.67 0.00 1.05 2.07 -0.64 -0.39 116.25 118.27 2kpm h VAL 70 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2kpm h VAL 70 Cb 0.80 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2kpm h VAL 70 CO 0.01 0.00 -0.06 0.07 0.02 0.00 0.00 177.57 177.60 2kpm h LYS 71 N -0.07 0.00 -0.01 1.57 2.10 -1.42 -1.69 116.57 117.05 2kpm h LYS 71 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2kpm h LYS 71 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2kpm h LYS 71 CO -0.27 0.06 -0.05 0.00 -2.00 0.00 0.00 179.45 177.19 2kpm n ALA 72 N -2.18 2.68 -2.68 0.07 0.00 -0.22 -4.14 120.51 114.04 2kpm n ALA 72 Ca -0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.81 2kpm n ALA 72 Cb 0.22 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.22 2.69 0.31 0.00 5.12 -0.63 -4.87 116.66 119.05 2kpm n ARG 73 Ca 0.18 -4.22 0.21 0.00 -1.93 0.00 0.00 57.85 52.09 2kpm n ARG 73 Cb 0.31 -1.99 1.11 0.00 -1.16 0.00 0.00 32.46 30.74 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 2.61 0.00 -0.01 0.55 1.35 -1.69 0.02 112.91 115.74 2kpm h THR 74 Ca 0.16 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2kpm h THR 74 Cb 0.89 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2kpm h THR 74 CO 0.74 0.00 0.00 -0.78 -0.25 0.00 0.00 175.52 175.23 2kpm h ASP 75 N 0.00 0.00 0.00 5.36 3.58 -1.93 -3.29 116.42 120.14 2kpm h ASP 75 Ca 0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 2kpm h ASP 75 Cb 0.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2kpm h ASP 75 CO 0.00 0.00 -1.56 0.18 -2.88 0.00 0.00 179.24 174.98 2kpm n LEU 76 N -4.24 2.84 -4.24 2.28 4.77 -0.18 -4.85 117.00 113.38 2kpm n LEU 76 Ca -0.03 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.58 2kpm n LEU 76 Cb 0.09 -0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 2kpm n LEU 76 CO 0.31 0.64 -0.54 -0.36 -1.33 0.00 0.00 177.39 176.11 2kpm s PHE 77 N -2.20 2.61 -0.24 -1.77 0.08 -0.22 -1.65 117.98 114.58 2kpm s PHE 77 Ca -0.13 -1.01 -0.20 0.00 0.12 0.00 0.00 56.93 55.71 2kpm s PHE 77 Cb 0.03 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2kpm s PHE 77 CO 0.23 -0.41 0.63 0.08 -0.10 0.00 0.00 175.22 175.66 2kpm s VAL 78 N 0.39 4.99 -0.13 -0.44 1.01 0.46 -3.92 120.40 122.77 2kpm s VAL 78 Ca -0.16 1.14 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2kpm s VAL 78 Cb -0.17 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 2kpm s VAL 78 CO 0.07 0.04 -0.16 0.42 0.00 0.00 0.00 175.10 175.47 2kpm s THR 79 N 2.41 2.77 -0.08 3.92 -4.23 -1.26 -1.55 115.64 117.61 2kpm s THR 79 Ca 0.27 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.98 2kpm s THR 79 Cb -0.16 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.58 2kpm s THR 79 CO 0.09 0.53 0.19 -1.61 -0.54 0.00 0.00 174.62 173.28 2kpm s GLU 80 N 0.40 0.15 -0.22 3.99 2.02 -0.95 -5.04 118.70 119.05 2kpm s GLU 80 Ca -0.12 0.43 -0.21 0.00 0.02 0.00 0.00 54.97 55.09 2kpm s GLU 80 Cb -0.16 -0.13 -0.02 0.00 0.10 0.00 0.00 34.13 33.91 2kpm s GLU 80 CO 0.06 -0.15 0.65 -1.21 0.02 0.00 0.00 175.26 174.62 2kpm s GLU 81 N 1.13 4.17 -0.03 1.61 2.02 -1.26 -1.74 118.70 124.60 2kpm s GLU 81 Ca -0.09 0.62 0.06 0.00 0.02 0.00 0.00 54.97 55.59 2kpm s GLU 81 Cb -0.10 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 2kpm s GLU 81 CO -0.07 -0.33 -0.20 1.03 0.02 0.00 0.00 175.26 175.71 2kpm s ARG 82 N 2.23 2.27 -0.01 1.61 1.81 -0.12 -4.94 118.95 121.80 2kpm s ARG 82 Ca 0.28 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 53.16 2kpm s ARG 82 Cb -0.16 -2.20 -0.03 0.00 -0.45 0.00 0.00 34.95 32.12 2kpm s ARG 82 CO 0.09 0.59 1.00 -1.14 -0.68 0.00 0.00 175.30 175.16 2kpm s GLN 83 N -0.75 4.53 -0.28 3.54 0.74 -1.26 -0.57 119.66 125.60 2kpm s GLN 83 Ca 0.11 1.44 -0.21 0.00 0.05 0.00 0.00 55.36 56.75 2kpm s GLN 83 Cb -0.10 -3.47 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 2kpm s GLN 83 CO 0.00 -0.11 0.66 0.08 -0.55 0.00 0.00 175.29 175.37 2kpm s VAL 84 N 1.19 4.94 0.05 1.34 1.01 -1.24 -4.94 120.40 122.75 2kpm s VAL 84 Ca 0.52 1.04 -0.32 0.00 0.00 0.00 0.00 61.98 63.23 2kpm s VAL 84 Cb -0.21 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2kpm s VAL 84 CO 0.26 -0.08 1.87 -0.81 0.00 0.00 0.00 175.10 176.35 2kpm n PRO 85 N 5.85 2.63 0.00 2.72 -0.04 -1.26 -1.01 135.00 143.90 2kpm n PRO 85 Ca 0.00 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2kpm n PRO 85 Cb 0.49 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.31 2.52 3.84 0.55 0.00 -1.26 -5.06 105.19 110.10 2kpm n GLY 86 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.41 5.76 0.13 1.61 0.01 -0.18 -5.02 113.70 114.61 2kpm s SER 87 Ca 0.00 -0.03 0.23 0.00 1.31 0.00 0.00 55.95 57.46 2kpm s SER 87 Cb 0.00 -1.58 0.20 0.00 0.21 0.00 0.00 66.02 64.84 2kpm s SER 87 CO 0.00 0.07 1.19 0.00 0.41 0.00 0.00 173.24 174.92 2kpm h THR 88 N 1.97 0.00 -2.28 1.44 1.03 -1.97 -3.43 112.91 109.66 2kpm h THR 88 Ca -0.48 -0.62 -0.48 0.00 -0.01 0.00 0.00 66.41 64.82 2kpm h THR 88 Cb 1.20 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 69.39 2kpm h THR 88 CO 0.65 0.00 -0.44 0.00 -0.01 0.00 0.00 175.52 175.72 2kpm s GLN 89 N -3.23 3.41 -0.03 0.00 -2.07 -1.26 -5.05 119.66 111.43 2kpm s GLN 89 Ca 0.04 -0.74 -0.01 0.00 -1.82 0.00 0.00 55.36 52.83 2kpm s GLN 89 Cb 0.12 -2.89 -0.04 0.00 -1.09 0.00 0.00 33.01 29.12 2kpm s GLN 89 CO 0.75 0.45 0.06 -1.59 -1.32 0.00 0.00 175.29 173.64 2kpm s LYS 90 N -3.79 3.03 -0.07 9.60 -2.85 -1.26 -3.59 119.74 120.81 2kpm s LYS 90 Ca 0.34 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.85 2kpm s LYS 90 Cb -0.09 -2.84 -0.03 0.00 -2.06 0.00 0.00 37.83 32.80 2kpm s LYS 90 CO 0.29 0.66 -0.06 0.00 0.10 0.00 0.00 175.35 176.34 2kpm s ALA 91 N -1.11 3.04 -0.48 0.59 0.00 0.26 -4.90 121.76 119.14 2kpm s ALA 91 Ca 0.20 -0.88 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 2kpm s ALA 91 Cb -0.12 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.76 2kpm s ALA 91 CO 0.11 0.58 0.95 -1.17 0.00 0.00 0.00 175.76 176.23 2kpm s LEU 92 N -0.84 3.98 0.02 0.00 2.96 -1.26 -0.94 118.68 122.59 2kpm s LEU 92 Ca 0.13 0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2kpm s LEU 92 Cb -0.11 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 2kpm s LEU 92 CO 0.02 -1.11 0.26 -0.31 -1.32 0.00 0.00 176.35 173.88 2kpm s TYR 93 N 3.89 3.57 0.07 5.38 1.51 -0.71 -1.61 117.35 129.44 2kpm s TYR 93 Ca 0.37 0.53 0.08 0.00 -1.01 0.00 0.00 57.07 57.04 2kpm s TYR 93 Cb -0.10 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 2kpm s TYR 93 CO 0.25 0.61 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.56 2kpm s LEU 94 N -1.86 2.22 0.04 -1.29 1.43 0.21 -2.23 118.68 117.21 2kpm s LEU 94 Ca 0.29 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2kpm s LEU 94 Cb -0.13 -1.05 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 2kpm s LEU 94 CO 0.17 0.15 0.16 0.00 0.23 0.00 0.00 176.35 177.07 2kpm s ARG 95 N -1.51 0.67 0.25 1.70 1.70 -0.60 -0.87 118.95 120.30 2kpm s ARG 95 Ca 0.09 -0.71 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 2kpm s ARG 95 Cb -0.10 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.47 2kpm s ARG 95 CO 0.03 -0.19 1.19 0.00 -1.08 0.00 0.00 175.30 175.26 2kpm s ALA 96 N -2.72 3.45 -0.78 7.88 0.00 -1.26 -0.41 121.76 127.92 2kpm s ALA 96 Ca -0.04 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.69 2kpm s ALA 96 Cb -0.00 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2kpm s ALA 96 CO -0.05 -0.36 1.19 0.21 0.00 0.00 0.00 175.76 176.75 2kpm s LYS 97 N -0.98 3.27 -0.43 0.00 2.47 -0.66 -4.74 119.74 118.67 2kpm s LYS 97 Ca 0.49 -0.73 -0.05 0.00 -1.56 0.00 0.00 55.97 54.13 2kpm s LYS 97 Cb -0.34 -4.46 0.11 0.00 -1.46 0.00 0.00 37.83 31.68 2kpm s LYS 97 CO 0.42 -2.02 0.24 -0.51 0.16 0.00 0.00 175.35 173.64 2kpm s LEU 98 N 4.78 5.38 -0.26 5.43 1.43 -1.26 -4.88 118.68 129.30 2kpm s LEU 98 Ca 0.32 -2.00 -0.28 0.00 -1.03 0.00 0.00 54.13 51.15 2kpm s LEU 98 Cb -0.09 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2kpm s LEU 98 CO 0.07 -0.59 1.00 -1.61 0.23 0.00 0.00 176.35 175.45 2kpm s GLU 99 N 1.20 4.18 -0.82 1.70 0.41 -1.26 -4.98 118.70 119.13 2kpm s GLU 99 Ca 0.08 1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 55.55 2kpm s GLU 99 Cb -0.24 -3.67 0.02 0.00 -1.78 0.00 0.00 34.13 28.46 2kpm s GLU 99 CO -0.03 -0.68 1.49 -1.01 -0.49 0.00 0.00 175.26 174.54 2kpm s HIS 100 N 3.24 2.20 -0.85 1.61 3.76 -1.26 -4.94 115.29 119.04 2kpm s HIS 100 Ca 0.42 -0.07 -0.25 0.00 -0.15 0.00 0.00 55.06 55.01 2kpm s HIS 100 Cb -0.14 -4.50 0.01 0.00 1.11 0.00 0.00 32.58 29.06 2kpm s HIS 100 CO 0.09 -2.04 1.59 -1.01 -0.85 0.00 0.00 174.74 172.52 2kpm s HIS 101 N 6.51 2.15 0.00 1.40 3.76 -1.26 -4.46 115.29 123.40 2kpm s HIS 101 Ca 0.47 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.35 2kpm s HIS 101 Cb -0.06 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.20 2kpm s HIS 101 CO 0.07 -1.99 0.00 0.72 -0.85 0.00 0.00 174.74 172.69 2kpm n HIS 102 N 10.86 0.00 -1.63 1.40 8.25 -1.26 -4.98 115.22 127.86 2kpm n HIS 102 Ca 0.25 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.30 2kpm n HIS 102 Cb 0.50 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 2kpm n HIS 102 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpm n HIS 103 N -0.30 2.98 -3.75 4.41 8.25 -1.26 -4.85 115.22 120.70 2kpm n HIS 103 Ca 0.00 -2.42 -0.12 0.00 -0.26 0.00 0.00 57.72 54.92 2kpm n HIS 103 Cb 0.00 -2.26 -0.12 0.00 1.12 0.00 0.00 29.99 28.73 2kpm n HIS 103 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpm s HIS 104 N 4.56 -0.33 -2.61 4.41 3.76 -1.26 -5.26 115.29 118.55 2kpm s HIS 104 Ca 0.53 0.79 0.27 0.00 -0.15 0.00 0.00 55.06 56.50 2kpm s HIS 104 Cb 0.12 0.09 0.86 0.00 1.11 0.00 0.00 32.58 34.76 2kpm s HIS 104 CO 0.02 -0.20 1.64 1.58 -0.85 0.00 0.00 174.74 176.93