#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 6.78 -0.92 6.12 -4.77 -1.26 -4.92 116.67 117.70 2kpm s ASP 2 Ca 0.00 2.67 -0.24 0.00 -3.30 0.00 0.00 52.55 51.68 2kpm s ASP 2 Cb 0.00 -2.65 -0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2kpm s ASP 2 CO 0.00 -0.53 1.85 0.00 0.70 0.00 0.00 175.17 177.20 2kpm s GLN 3 N -1.80 2.75 -0.53 2.11 1.03 -1.26 -4.85 119.66 117.11 2kpm s GLN 3 Ca 0.49 -0.43 -0.06 0.00 0.04 0.00 0.00 55.36 55.40 2kpm s GLN 3 Cb -0.39 -5.11 -0.11 0.00 0.03 0.00 0.00 33.01 27.43 2kpm s GLN 3 CO 0.52 -3.16 3.15 1.63 -2.54 0.00 0.00 175.29 174.90 2kpm n LYS 4 N 8.86 2.66 -2.31 9.60 5.02 -1.26 -4.89 118.16 135.85 2kpm n LYS 4 Ca 0.39 -1.83 -0.37 0.00 -2.02 0.00 0.00 58.31 54.47 2kpm n LYS 4 Cb 0.48 -2.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.22 2kpm n LYS 4 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2kpm s SER 5 N 1.39 5.79 -0.05 4.39 0.01 -1.26 -4.95 113.70 119.03 2kpm s SER 5 Ca 0.64 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 57.30 2kpm s SER 5 Cb 0.30 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 64.00 2kpm s SER 5 CO -0.08 -2.10 -0.01 -0.44 0.41 0.00 0.00 173.24 171.01 2kpm s SER 6 N 6.14 1.04 -0.40 2.44 0.01 -1.26 -5.11 113.70 116.57 2kpm s SER 6 Ca 0.54 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.74 2kpm s SER 6 Cb -0.07 -0.38 0.12 0.00 0.21 0.00 0.00 66.02 65.91 2kpm s SER 6 CO 0.06 -0.12 0.18 -0.55 0.41 0.00 0.00 173.24 173.22 2kpm s SER 7 N 1.35 3.89 -0.52 2.44 0.15 -1.26 -5.09 113.70 114.66 2kpm s SER 7 Ca -0.05 -2.33 -0.25 0.00 0.70 0.00 0.00 55.95 54.02 2kpm s SER 7 Cb -0.13 -1.08 0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2kpm s SER 7 CO -0.02 -0.32 0.95 -2.16 1.20 0.00 0.00 173.24 172.89 2kpm s PRO 8 N 0.71 3.41 0.30 5.44 0.04 -1.26 -5.05 135.00 138.60 2kpm s PRO 8 Ca 0.15 -0.08 -0.29 0.00 0.04 0.00 0.00 61.00 60.82 2kpm s PRO 8 Cb -0.22 -4.01 -0.10 0.00 0.04 0.00 0.00 34.50 30.21 2kpm s PRO 8 CO -0.07 -1.41 1.28 -0.65 0.04 0.00 0.00 177.00 176.19 2kpm s GLN 9 N 3.95 4.41 0.45 4.56 1.11 -1.26 -4.97 119.66 127.90 2kpm s GLN 9 Ca 0.34 2.12 -0.24 0.00 0.01 0.00 0.00 55.36 57.59 2kpm s GLN 9 Cb -0.11 -3.11 -0.09 0.00 -1.01 0.00 0.00 33.01 28.68 2kpm s GLN 9 CO 0.22 -0.14 1.08 -0.35 0.01 0.00 0.00 175.29 176.11 2kpm n PRO 10 N 1.21 1.44 -1.53 2.91 -0.04 -1.26 -4.74 135.00 132.98 2kpm n PRO 10 Ca 0.01 0.52 -0.25 0.00 -0.04 0.00 0.00 63.50 63.74 2kpm n PRO 10 Cb 0.42 -2.15 -0.12 0.00 -0.04 0.00 0.00 33.50 31.61 2kpm n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kpm n ALA 11 N -0.59 0.64 -2.61 0.55 0.00 -1.26 -4.88 120.51 112.37 2kpm n ALA 11 Ca 0.09 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 2kpm n ALA 11 Cb 0.40 -2.87 -0.07 0.00 0.00 0.00 0.00 19.45 16.91 2kpm n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kpm s ALA 12 N 9.38 3.43 0.31 0.00 0.00 -1.26 -5.16 121.76 128.46 2kpm s ALA 12 Ca 1.12 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 2kpm s ALA 12 Cb -0.52 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2kpm s ALA 12 CO 0.32 -0.24 0.57 -0.65 0.00 0.00 0.00 175.76 175.76 2kpm s GLN 13 N -3.73 3.60 0.49 0.00 -1.52 -1.26 -5.08 119.66 112.15 2kpm s GLN 13 Ca 0.15 -0.04 -0.20 0.00 -1.95 0.00 0.00 55.36 53.32 2kpm s GLN 13 Cb 0.01 -2.63 -0.08 0.00 -0.22 0.00 0.00 33.01 30.09 2kpm s GLN 13 CO 0.10 0.17 1.03 0.00 -0.25 0.00 0.00 175.29 176.34 2kpm s ALA 14 N -2.17 2.89 1.27 6.09 0.00 -1.26 -5.06 121.76 123.52 2kpm s ALA 14 Ca 0.43 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 2kpm s ALA 14 Cb -0.10 -3.24 0.23 0.00 0.00 0.00 0.00 23.12 20.01 2kpm s ALA 14 CO 0.32 -0.28 0.58 -2.30 0.00 0.00 0.00 175.76 174.08 2kpm n PRO 15 N -1.00 -3.50 -0.88 0.00 -0.02 -1.26 -5.05 135.00 123.29 2kpm n PRO 15 Ca 0.09 -0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 60.41 2kpm n PRO 15 Cb 0.53 -1.16 0.15 0.00 -0.02 0.00 0.00 33.50 33.00 2kpm n PRO 15 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kpm n GLU 16 N -4.23 -1.83 -2.20 -0.52 -0.58 -1.26 -4.88 120.64 105.14 2kpm n GLU 16 Ca 0.09 -1.21 -0.32 0.00 -0.42 0.00 0.00 57.16 55.30 2kpm n GLU 16 Cb 0.38 -1.00 -0.04 0.00 -0.57 0.00 0.00 31.44 30.20 2kpm n GLU 16 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2kpm s THR 17 N -2.51 3.65 -0.27 2.62 2.01 -1.26 -4.93 115.64 114.95 2kpm s THR 17 Ca 0.47 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 2kpm s THR 17 Cb -0.03 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2kpm s THR 17 CO 0.35 -1.26 0.30 -0.75 -0.69 0.00 0.00 174.62 172.57 2kpm s LYS 18 N 6.12 4.01 0.52 4.92 2.20 -1.26 -5.05 119.74 131.20 2kpm s LYS 18 Ca 0.64 -0.09 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 2kpm s LYS 18 Cb -0.02 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 2kpm s LYS 18 CO 0.05 -0.20 1.00 -0.65 -0.36 0.00 0.00 175.35 175.19 2kpm s GLN 19 N 1.83 3.85 -0.13 4.03 -1.52 -1.26 -5.07 119.66 121.38 2kpm s GLN 19 Ca 0.12 1.01 -0.03 0.00 -1.95 0.00 0.00 55.36 54.51 2kpm s GLN 19 Cb -0.16 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 2kpm s GLN 19 CO 0.10 -0.36 -0.02 0.00 -0.25 0.00 0.00 175.29 174.75 2kpm s ALA 20 N -2.56 3.10 -0.31 6.09 0.00 -1.26 -5.07 121.76 121.75 2kpm s ALA 20 Ca 0.60 -0.81 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2kpm s ALA 20 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2kpm s ALA 20 CO 0.31 0.33 1.28 -0.06 0.00 0.00 0.00 175.76 177.63 2kpm s PHE 21 N -0.05 2.72 -0.75 0.00 0.08 -1.26 -5.00 117.98 113.73 2kpm s PHE 21 Ca 0.02 0.89 -0.24 0.00 0.12 0.00 0.00 56.93 57.72 2kpm s PHE 21 Cb -0.13 -3.91 0.06 0.00 -0.57 0.00 0.00 43.02 38.47 2kpm s PHE 21 CO 0.02 -1.64 1.14 -1.25 -0.10 0.00 0.00 175.22 173.40 2kpm s PRO 22 N 4.15 3.23 0.38 0.24 0.04 -1.26 -4.88 135.00 136.90 2kpm s PRO 22 Ca 0.55 -0.73 0.20 0.00 0.04 0.00 0.00 61.00 61.06 2kpm s PRO 22 Cb -0.16 -4.39 0.28 0.00 0.04 0.00 0.00 34.50 30.28 2kpm s PRO 22 CO 0.23 -1.97 1.56 0.07 0.04 0.00 0.00 177.00 176.93 2kpm h ARG 23 N 9.69 0.00 -0.81 4.56 0.11 -1.98 -2.15 114.38 123.80 2kpm h ARG 23 Ca -0.20 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.03 2kpm h ARG 23 Cb 1.05 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.07 2kpm h ARG 23 CO 1.24 0.20 0.53 0.87 0.10 0.00 0.00 179.97 182.91 2kpm h LYS 24 N 0.00 0.52 0.02 0.08 1.57 -1.99 -1.66 116.57 115.10 2kpm h LYS 24 Ca -0.00 -0.03 -0.39 0.00 -1.87 0.00 0.00 60.65 58.35 2kpm h LYS 24 Cb 1.13 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 2kpm h LYS 24 CO 0.03 0.34 -2.25 1.19 -0.57 0.00 0.00 179.45 178.19 2kpm n PHE 25 N -4.51 0.34 0.08 -1.35 3.72 -1.15 -3.79 117.46 110.79 2kpm n PHE 25 Ca 0.16 0.11 -0.12 0.00 -0.05 0.00 0.00 57.45 57.54 2kpm n PHE 25 Cb 0.50 -1.04 -0.07 0.00 -0.94 0.00 0.00 39.48 37.94 2kpm n PHE 25 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2kpm h VAL 26 N -0.54 0.86 -0.31 -4.37 2.07 -1.39 0.37 116.25 112.94 2kpm h VAL 26 Ca -0.57 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2kpm h VAL 26 Cb 1.71 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2kpm h VAL 26 CO -0.22 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.34 2kpm h LEU 27 N -0.14 0.43 -0.24 2.57 3.38 -1.55 -0.39 115.31 119.37 2kpm h LEU 27 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kpm h LEU 27 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kpm h LEU 27 CO -0.01 0.47 0.11 0.00 0.09 0.00 0.00 178.44 179.10 2kpm h ALA 28 N 1.59 0.31 -0.74 1.53 0.00 -1.51 -0.53 119.26 119.91 2kpm h ALA 28 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2kpm h ALA 28 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2kpm h ALA 28 CO 0.00 -0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.37 2kpm h ALA 29 N 0.97 0.97 0.30 0.00 0.00 -0.59 -1.93 119.26 118.98 2kpm h ALA 29 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kpm h ALA 29 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kpm h ALA 29 CO -0.01 0.65 -0.20 1.25 0.00 0.00 0.00 179.25 180.94 2kpm h LEU 30 N 1.10 -0.51 -0.71 0.00 5.85 -0.84 -1.84 115.31 118.35 2kpm h LEU 30 Ca 0.24 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 2kpm h LEU 30 Cb 0.31 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2kpm h LEU 30 CO -0.01 -0.32 0.19 1.05 -0.34 0.00 0.00 178.44 179.02 2kpm h GLU 31 N -0.50 1.13 0.00 1.25 4.11 -1.07 -1.61 114.58 117.89 2kpm h GLU 31 Ca -0.03 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kpm h GLU 31 Cb 0.42 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2kpm h GLU 31 CO 0.02 0.98 0.00 1.04 0.07 0.00 0.00 179.01 181.12 2kpm n GLN 32 N -4.25 0.02 -0.13 1.06 6.02 -0.73 -1.67 117.38 117.69 2kpm n GLN 32 Ca 0.05 0.28 0.05 0.00 -0.01 0.00 0.00 57.00 57.38 2kpm n GLN 32 Cb 0.25 -1.53 0.12 0.00 1.02 0.00 0.00 30.24 30.10 2kpm n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kpm n SER 33 N -1.56 2.67 -4.92 1.08 2.88 -0.68 -5.04 113.62 108.05 2kpm n SER 33 Ca 0.03 -1.89 -0.26 0.00 -1.33 0.00 0.00 58.87 55.42 2kpm n SER 33 Cb 0.16 -0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2kpm n SER 33 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kpm s SER 34 N -0.97 6.35 0.65 -3.46 0.01 -0.67 -4.11 113.70 111.50 2kpm s SER 34 Ca 0.20 0.61 0.00 0.00 1.31 0.00 0.00 55.95 58.07 2kpm s SER 34 Cb 0.11 -2.10 0.11 0.00 0.21 0.00 0.00 66.02 64.35 2kpm s SER 34 CO 0.14 -0.28 0.78 0.47 0.41 0.00 0.00 173.24 174.76 2kpm n ASP 35 N -1.46 1.09 -0.32 2.44 8.00 0.14 -4.91 116.55 121.53 2kpm n ASP 35 Ca -0.03 -1.91 0.16 0.00 0.71 0.00 0.00 54.79 53.72 2kpm n ASP 35 Cb 0.55 -0.50 0.39 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.44 0.65 0.42 -2.24 3.58 -2.00 0.10 116.42 116.50 2kpm h ASP 36 Ca -0.26 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2kpm h ASP 36 Cb 0.96 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2kpm h ASP 36 CO 0.28 0.23 0.00 0.00 -2.88 0.00 0.00 179.24 176.87 2kpm n ALA 37 N -2.40 2.29 -0.46 -0.78 0.00 -1.26 -4.87 120.51 113.04 2kpm n ALA 37 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2kpm n ALA 37 Cb 0.63 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 0.83 0.75 3.70 0.00 0.00 0.35 -5.05 105.19 105.77 2kpm n GLY 38 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.52 3.48 -0.17 1.61 0.52 -1.26 -4.33 118.94 116.27 2kpm s TRP 39 Ca 0.00 1.01 -0.00 0.00 0.02 0.00 0.00 56.10 57.13 2kpm s TRP 39 Cb 0.00 -2.72 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 2kpm s TRP 39 CO 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 176.95 176.86 2kpm s ALA 40 N 1.13 2.54 0.18 0.98 0.00 0.33 -0.68 121.76 126.23 2kpm s ALA 40 Ca 0.31 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.86 2kpm s ALA 40 Cb -0.16 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.55 2kpm s ALA 40 CO 0.13 -0.15 1.55 1.21 0.00 0.00 0.00 175.76 178.50 2kpm s ASN 41 N 1.01 6.59 0.31 0.00 3.84 -1.26 -0.33 114.94 125.09 2kpm s ASN 41 Ca -0.02 2.63 0.07 0.00 0.21 0.00 0.00 52.86 55.75 2kpm s ASN 41 Cb -0.15 -2.60 0.84 0.00 -0.55 0.00 0.00 41.25 38.80 2kpm s ASN 41 CO -0.03 -0.81 1.66 0.25 -2.79 0.00 0.00 177.10 175.38 2kpm h LEU 42 N 6.53 0.23 -0.25 3.21 5.85 -1.38 0.64 115.31 130.13 2kpm h LEU 42 Ca -0.43 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2kpm h LEU 42 Cb 1.21 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2kpm h LEU 42 CO 0.89 -0.12 0.15 1.23 -0.34 0.00 0.00 178.44 180.25 2kpm h GLY 43 N 0.28 0.37 0.87 3.75 0.00 -1.90 -0.13 103.07 106.31 2kpm h GLY 43 Ca 0.62 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.72 2kpm h GLY 43 CO -0.62 0.15 -0.13 3.43 0.00 0.00 0.00 176.54 179.37 2kpm h ASN 44 N 0.31 0.55 -0.01 0.19 2.35 -1.48 -2.53 115.58 114.96 2kpm h ASN 44 Ca 0.09 -0.41 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 2kpm h ASN 44 Cb 0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2kpm h ASN 44 CO -0.02 0.84 -0.09 0.15 -1.65 0.00 0.00 177.43 176.67 2kpm h PHE 45 N 0.26 -0.23 -1.01 1.19 3.57 -0.90 -0.65 116.94 119.18 2kpm h PHE 45 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2kpm h PHE 45 Cb 0.64 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 2kpm h PHE 45 CO 0.06 -0.14 0.65 0.78 -2.23 0.00 0.00 178.31 177.44 2kpm h GLY 46 N -0.15 1.51 0.65 2.40 0.00 -1.02 0.14 103.07 106.60 2kpm h GLY 46 Ca 0.04 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2kpm h GLY 46 CO -0.10 0.38 -0.01 -0.57 0.00 0.00 0.00 176.54 176.24 2kpm h ASN 47 N 1.22 -0.02 0.41 0.19 -0.73 -1.18 -3.15 115.58 112.32 2kpm h ASN 47 Ca 0.42 -0.34 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 2kpm h ASN 47 Cb 0.10 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 2kpm h ASN 47 CO -0.15 0.33 -0.57 0.22 -0.37 0.00 0.00 177.43 176.89 2kpm h TYR 48 N -0.37 0.21 -0.25 0.67 3.20 -0.88 -3.20 116.97 116.34 2kpm h TYR 48 Ca -0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2kpm h TYR 48 Cb 0.36 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2kpm h TYR 48 CO 0.05 0.70 0.13 1.25 -1.64 0.00 0.00 178.16 178.64 2kpm h LEU 49 N 0.12 0.32 -2.32 2.82 5.85 -0.78 -2.64 115.31 118.68 2kpm h LEU 49 Ca -0.00 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2kpm h LEU 49 Cb 1.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2kpm h LEU 49 CO 0.08 0.34 0.00 -1.13 -0.34 0.00 0.00 178.44 177.40 2kpm h ASN 50 N 0.28 0.00 -0.27 1.25 -0.73 -1.54 -0.04 115.58 114.52 2kpm h ASN 50 Ca 0.09 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 2kpm h ASN 50 Cb 0.10 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.69 2kpm h ASN 50 CO -0.01 0.00 -0.36 0.11 -0.37 0.00 0.00 177.43 176.80 2kpm h LYS 51 N 0.00 0.72 0.17 6.67 1.57 -1.54 -2.65 116.57 121.50 2kpm h LYS 51 Ca 0.00 -0.41 -0.22 0.00 -1.87 0.00 0.00 60.65 58.15 2kpm h LYS 51 Cb 0.12 0.03 0.03 0.00 0.08 0.00 0.00 32.23 32.49 2kpm h LYS 51 CO 0.00 1.03 -0.98 -0.07 -0.57 0.00 0.00 179.45 178.86 2kpm h LEU 52 N 0.45 0.56 -6.96 2.94 3.38 -1.24 -3.41 115.31 111.03 2kpm h LEU 52 Ca 0.03 -0.95 -0.61 0.00 0.09 0.00 0.00 57.88 56.44 2kpm h LEU 52 Cb 0.94 -0.18 -0.41 0.00 0.09 0.00 0.00 40.66 41.11 2kpm h LEU 52 CO 0.08 1.47 -0.70 -1.10 0.09 0.00 0.00 178.44 178.29 2kpm s GLN 53 N -2.47 1.81 0.49 1.13 -1.52 -0.15 -4.96 119.66 113.99 2kpm s GLN 53 Ca -0.13 -2.68 0.27 0.00 -1.95 0.00 0.00 55.36 50.88 2kpm s GLN 53 Cb 0.02 -2.75 1.22 0.00 -0.22 0.00 0.00 33.01 31.28 2kpm s GLN 53 CO 0.86 -1.25 1.95 -1.00 -0.25 0.00 0.00 175.29 175.60 2kpm h PRO 54 N 5.93 0.00 0.00 2.91 0.13 -1.71 -2.64 132.00 136.62 2kpm h PRO 54 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2kpm h PRO 54 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kpm h PRO 54 CO 0.59 0.15 -0.16 -3.47 -0.23 0.00 0.00 178.00 174.88 2kpm n ASP 55 N -3.42 0.80 -4.49 1.44 2.03 -1.26 -4.72 116.55 106.93 2kpm n ASP 55 Ca -0.01 0.46 -0.42 0.00 0.52 0.00 0.00 54.79 55.34 2kpm n ASP 55 Cb 0.33 -0.55 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 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 -3.12 2.56 0.01 -0.67 5.36 -0.99 -5.00 117.98 116.12 2kpm s PHE 56 Ca 0.09 -0.43 0.05 0.00 -0.96 0.00 0.00 56.93 55.69 2kpm s PHE 56 Cb 0.12 -4.42 -0.02 0.00 -0.34 0.00 0.00 43.02 38.37 2kpm s PHE 56 CO 0.63 -1.79 -0.16 0.34 -1.46 0.00 0.00 175.22 172.78 2kpm s ASP 57 N 3.74 1.86 0.51 6.13 2.15 -1.26 -4.92 116.67 124.88 2kpm s ASP 57 Ca 0.27 -0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.15 2kpm s ASP 57 Cb -0.13 -0.18 1.35 0.00 -0.30 0.00 0.00 42.92 43.67 2kpm s ASP 57 CO 0.10 0.15 1.93 0.77 -0.17 0.00 0.00 175.17 177.95 2kpm h SER 58 N 5.43 0.09 -0.44 -0.34 4.64 -1.90 -1.61 113.55 119.42 2kpm h SER 58 Ca -0.37 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.04 2kpm h SER 58 Cb 1.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2kpm h SER 58 CO 0.47 0.04 0.30 0.03 -0.87 0.00 0.00 176.83 176.80 2kpm h ARG 59 N 0.09 0.24 0.00 4.77 2.47 -1.86 -0.31 114.38 119.80 2kpm h ARG 59 Ca 0.36 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 2kpm h ARG 59 Cb 1.28 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2kpm h ARG 59 CO -0.04 0.16 0.00 -0.07 0.56 0.00 0.00 179.97 180.58 2kpm h LEU 60 N 0.25 0.00 -2.48 3.04 3.38 -1.59 -1.68 115.31 116.24 2kpm h LEU 60 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kpm h LEU 60 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kpm h LEU 60 CO -0.04 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.27 2kpm n TYR 61 N -3.04 0.48 -1.33 1.13 4.02 -0.19 -4.62 117.16 113.62 2kpm n TYR 61 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 2kpm n TYR 61 Cb 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.96 0.48 3.58 2.72 0.00 -0.63 -5.07 105.19 107.23 2kpm n GLY 62 Ca 0.15 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 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 2.87 -0.47 1.61 1.51 -0.82 -4.99 117.35 115.05 2kpm s TYR 63 Ca 0.00 -0.05 0.25 0.00 -1.01 0.00 0.00 57.07 56.26 2kpm s TYR 63 Cb 0.00 -1.62 0.62 0.00 -0.11 0.00 0.00 41.96 40.85 2kpm s TYR 63 CO 0.00 0.34 1.70 0.87 -1.11 0.00 0.00 175.55 177.36 2kpm h LYS 64 N 4.75 0.00 -2.02 -0.62 1.79 -1.95 -2.87 116.57 115.65 2kpm h LYS 64 Ca -0.48 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 57.93 2kpm h LYS 64 Cb 1.17 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.62 2kpm h LYS 64 CO 0.53 0.00 0.16 -1.59 -1.08 0.00 0.00 179.45 177.47 2kpm s LYS 65 N -3.23 0.98 0.26 3.15 -2.85 -1.26 -4.91 119.74 111.88 2kpm s LYS 65 Ca 0.07 0.48 -0.02 0.00 -1.00 0.00 0.00 55.97 55.51 2kpm s LYS 65 Cb 0.08 0.47 0.47 0.00 -2.06 0.00 0.00 37.83 36.79 2kpm s LYS 65 CO 0.62 -0.25 1.81 1.25 0.10 0.00 0.00 175.35 178.88 2kpm h LEU 66 N 3.65 0.74 -0.26 2.77 5.85 -1.95 -2.38 115.31 123.74 2kpm h LEU 66 Ca -0.28 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.56 2kpm h LEU 66 Cb 1.15 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 2kpm h LEU 66 CO 0.28 0.40 -0.11 0.77 -0.34 0.00 0.00 178.44 179.44 2kpm h SER 67 N 0.84 -0.39 0.12 1.25 4.64 -1.97 -0.95 113.55 117.08 2kpm h SER 67 Ca 0.44 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.79 2kpm h SER 67 Cb 0.45 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2kpm h SER 67 CO -0.27 -0.15 -0.23 -0.78 -0.87 0.00 0.00 176.83 174.53 2kpm h ASP 68 N -0.08 0.20 0.25 4.97 3.58 -1.87 -2.05 116.42 121.42 2kpm h ASP 68 Ca 0.13 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2kpm h ASP 68 Cb 0.28 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2kpm h ASP 68 CO -0.31 0.45 -0.12 0.25 -2.88 0.00 0.00 179.24 176.63 2kpm h LEU 69 N 0.19 -0.28 -0.40 2.28 5.85 -0.94 -2.16 115.31 119.85 2kpm h LEU 69 Ca 0.03 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2kpm h LEU 69 Cb 0.52 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2kpm h LEU 69 CO 0.04 -0.12 0.20 0.58 -0.34 0.00 0.00 178.44 178.80 2kpm h VAL 70 N -0.42 1.16 0.00 1.05 2.07 -0.90 -1.07 116.25 118.14 2kpm h VAL 70 Ca -0.03 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 2kpm h VAL 70 Cb 0.32 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2kpm h VAL 70 CO 0.06 0.17 -0.05 0.07 0.02 0.00 0.00 177.57 177.83 2kpm h LYS 71 N 0.50 0.00 0.10 1.57 2.10 -1.44 -2.59 116.57 116.82 2kpm h LYS 71 Ca 0.14 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.52 2kpm h LYS 71 Cb 0.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2kpm h LYS 71 CO -0.02 0.05 -1.24 0.00 -2.00 0.00 0.00 179.45 176.24 2kpm h ALA 72 N 1.95 0.18 -0.97 0.07 0.00 -0.69 -3.39 119.26 116.42 2kpm h ALA 72 Ca -0.00 -0.93 -0.76 0.00 0.00 0.00 0.00 54.91 53.22 2kpm h ALA 72 Cb 0.42 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 2kpm h ALA 72 CO 0.01 1.06 1.95 0.54 0.00 0.00 0.00 179.25 182.81 2kpm n ARG 73 N -3.48 3.93 0.00 0.00 5.12 -0.47 -4.74 116.66 117.02 2kpm n ARG 73 Ca -0.08 -3.64 0.08 0.00 -1.93 0.00 0.00 57.85 52.28 2kpm n ARG 73 Cb 1.01 -2.82 0.37 0.00 -1.16 0.00 0.00 32.46 29.87 2kpm n ARG 73 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2kpm n THR 74 N 2.75 0.79 -0.04 0.55 -2.24 -1.26 -1.96 114.28 112.87 2kpm n THR 74 Ca 0.43 0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 62.27 2kpm n THR 74 Cb 0.34 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 67.58 2kpm n THR 74 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kpm h ASP 75 N 0.00 0.24 0.16 3.42 3.58 -1.93 -3.38 116.42 118.50 2kpm h ASP 75 Ca 0.00 -0.53 -0.36 0.00 0.42 0.00 0.00 57.03 56.56 2kpm h ASP 75 Cb 0.30 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2kpm h ASP 75 CO 0.00 0.72 -1.91 -0.07 -2.88 0.00 0.00 179.24 175.11 2kpm h LEU 76 N -0.24 0.48 -8.93 2.28 3.38 -1.92 -3.47 115.31 106.89 2kpm h LEU 76 Ca 0.01 -0.93 -0.64 0.00 0.09 0.00 0.00 57.88 56.41 2kpm h LEU 76 Cb 0.67 -0.16 -0.20 0.00 0.09 0.00 0.00 40.66 41.07 2kpm h LEU 76 CO 0.03 1.82 -0.83 -0.36 0.09 0.00 0.00 178.44 179.18 2kpm s PHE 77 N -2.57 2.18 -0.28 1.13 0.08 -0.83 -3.17 117.98 114.51 2kpm s PHE 77 Ca -0.20 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.38 2kpm s PHE 77 Cb 0.06 -1.13 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 2kpm s PHE 77 CO 0.80 0.39 0.12 0.08 -0.10 0.00 0.00 175.22 176.51 2kpm s VAL 78 N -1.46 4.51 -0.13 -0.44 1.01 -0.44 -4.26 120.40 119.19 2kpm s VAL 78 Ca 0.16 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2kpm s VAL 78 Cb -0.09 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 2kpm s VAL 78 CO 0.08 0.18 -0.16 0.42 0.00 0.00 0.00 175.10 175.61 2kpm s THR 79 N 1.62 2.70 -0.07 3.92 -4.23 -1.26 -1.84 115.64 116.47 2kpm s THR 79 Ca 0.05 -0.78 -0.09 0.00 -1.18 0.00 0.00 61.69 59.69 2kpm s THR 79 Cb -0.16 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.58 2kpm s THR 79 CO 0.05 0.53 0.24 -1.61 -0.54 0.00 0.00 174.62 173.29 2kpm s GLU 80 N 0.52 0.35 -0.29 3.99 2.02 -1.10 -5.07 118.70 119.12 2kpm s GLU 80 Ca -0.11 0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 2kpm s GLU 80 Cb -0.16 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 2kpm s GLU 80 CO 0.04 -0.06 0.74 -1.21 0.02 0.00 0.00 175.26 174.79 2kpm s GLU 81 N -0.21 4.01 -0.09 1.61 2.02 -1.26 -2.41 118.70 122.36 2kpm s GLU 81 Ca -0.03 0.58 0.03 0.00 0.02 0.00 0.00 54.97 55.56 2kpm s GLU 81 Cb -0.03 -3.70 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 2kpm s GLU 81 CO 0.01 -0.59 -0.19 1.03 0.02 0.00 0.00 175.26 175.54 2kpm s ARG 82 N 2.80 2.99 0.23 1.61 1.81 -0.20 -4.97 118.95 123.22 2kpm s ARG 82 Ca 0.30 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 53.23 2kpm s ARG 82 Cb -0.15 -2.41 -0.09 0.00 -0.45 0.00 0.00 34.95 31.86 2kpm s ARG 82 CO 0.11 0.30 0.94 -1.14 -0.68 0.00 0.00 175.30 174.83 2kpm s GLN 83 N 0.07 4.85 -0.30 3.54 0.74 -1.26 -0.11 119.66 127.19 2kpm s GLN 83 Ca -0.08 1.48 -0.22 0.00 0.05 0.00 0.00 55.36 56.59 2kpm s GLN 83 Cb -0.15 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 2kpm s GLN 83 CO 0.05 0.51 0.70 0.08 -0.55 0.00 0.00 175.29 176.08 2kpm s VAL 84 N -1.13 4.88 0.19 1.34 1.01 -1.12 -4.86 120.40 120.71 2kpm s VAL 84 Ca 0.41 1.05 -0.33 0.00 0.00 0.00 0.00 61.98 63.11 2kpm s VAL 84 Cb -0.26 -4.06 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 2kpm s VAL 84 CO 0.32 -0.16 1.60 -2.65 0.00 0.00 0.00 175.10 174.21 2kpm n PRO 85 N 6.00 2.35 0.00 2.72 -0.02 -1.26 -1.20 135.00 143.58 2kpm n PRO 85 Ca 0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2kpm n PRO 85 Cb 0.48 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 2kpm n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kpm n GLY 86 N 3.37 3.03 3.88 -1.23 0.00 -1.26 -5.02 105.19 107.97 2kpm n GLY 86 Ca 0.16 0.00 -0.23 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 -0.39 5.90 0.08 1.61 0.01 -0.34 -5.04 113.70 115.53 2kpm s SER 87 Ca 0.00 -0.07 0.18 0.00 1.31 0.00 0.00 55.95 57.38 2kpm s SER 87 Cb 0.00 -1.63 -0.12 0.00 0.21 0.00 0.00 66.02 64.48 2kpm s SER 87 CO 0.00 -0.02 0.83 1.07 0.41 0.00 0.00 173.24 175.53 2kpm n THR 88 N -1.04 1.02 -2.47 1.44 5.66 -1.26 -4.64 114.28 112.99 2kpm n THR 88 Ca -0.08 -0.66 -0.29 0.00 -3.05 0.00 0.00 64.05 59.98 2kpm n THR 88 Cb 0.57 -0.61 -0.00 0.00 -1.55 0.00 0.00 70.33 68.73 2kpm n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kpm s GLN 89 N -3.03 3.58 0.04 1.09 -2.07 -1.26 -4.94 119.66 113.07 2kpm s GLN 89 Ca -0.03 0.37 0.02 0.00 -1.82 0.00 0.00 55.36 53.89 2kpm s GLN 89 Cb 0.09 -2.30 -0.04 0.00 -1.09 0.00 0.00 33.01 29.67 2kpm s GLN 89 CO 0.81 -0.28 0.07 -1.59 -1.32 0.00 0.00 175.29 172.98 2kpm s LYS 90 N -4.76 2.94 0.09 9.60 -2.85 -1.26 -2.81 119.74 120.68 2kpm s LYS 90 Ca 0.50 -0.61 0.05 0.00 -1.00 0.00 0.00 55.97 54.91 2kpm s LYS 90 Cb -0.10 -2.77 -0.04 0.00 -2.06 0.00 0.00 37.83 32.86 2kpm s LYS 90 CO 0.46 0.60 -0.03 0.00 0.10 0.00 0.00 175.35 176.48 2kpm s ALA 91 N -1.29 3.20 -0.41 0.59 0.00 0.84 -4.91 121.76 119.77 2kpm s ALA 91 Ca 0.26 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2kpm s ALA 91 Cb -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.90 2kpm s ALA 91 CO 0.18 0.68 0.63 -1.17 0.00 0.00 0.00 175.76 176.08 2kpm s LEU 92 N -2.24 4.44 -0.07 0.00 2.96 -1.26 -1.03 118.68 121.48 2kpm s LEU 92 Ca 0.24 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 2kpm s LEU 92 Cb -0.11 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2kpm s LEU 92 CO 0.17 -0.71 0.15 -0.31 -1.32 0.00 0.00 176.35 174.33 2kpm s TYR 93 N 2.76 3.57 0.06 5.38 1.51 -1.01 -0.88 117.35 128.73 2kpm s TYR 93 Ca 0.23 0.45 0.08 0.00 -1.01 0.00 0.00 57.07 56.81 2kpm s TYR 93 Cb -0.14 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 2kpm s TYR 93 CO 0.18 0.69 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.58 2kpm s LEU 94 N -1.41 2.20 0.06 -1.29 1.43 0.55 -2.70 118.68 117.53 2kpm s LEU 94 Ca 0.20 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2kpm s LEU 94 Cb -0.12 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2kpm s LEU 94 CO 0.10 0.16 0.09 0.00 0.23 0.00 0.00 176.35 176.93 2kpm s ARG 95 N -1.40 0.69 0.26 1.70 1.70 -0.76 -0.51 118.95 120.63 2kpm s ARG 95 Ca 0.09 -0.99 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 2kpm s ARG 95 Cb -0.09 0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 34.46 2kpm s ARG 95 CO 0.03 -0.18 1.20 0.00 -1.08 0.00 0.00 175.30 175.27 2kpm s ALA 96 N -3.53 3.45 -0.57 7.88 0.00 -1.26 -1.33 121.76 126.40 2kpm s ALA 96 Ca 0.03 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 2kpm s ALA 96 Cb 0.04 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2kpm s ALA 96 CO -0.09 -0.37 1.23 0.21 0.00 0.00 0.00 175.76 176.74 2kpm s LYS 97 N -1.07 3.49 -0.34 0.00 2.47 -1.19 -4.75 119.74 118.34 2kpm s LYS 97 Ca 0.49 0.31 0.04 0.00 -1.56 0.00 0.00 55.97 55.25 2kpm s LYS 97 Cb -0.35 -4.03 0.10 0.00 -1.46 0.00 0.00 37.83 32.10 2kpm s LYS 97 CO 0.42 -1.71 0.06 -0.51 0.16 0.00 0.00 175.35 173.77 2kpm s LEU 98 N 5.12 4.71 0.08 5.43 1.43 -1.26 -4.99 118.68 129.20 2kpm s LEU 98 Ca 0.45 -2.18 0.04 0.00 -1.03 0.00 0.00 54.13 51.42 2kpm s LEU 98 Cb -0.08 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2kpm s LEU 98 CO 0.26 -0.38 0.01 -1.61 0.23 0.00 0.00 176.35 174.86 2kpm s GLU 99 N 0.88 2.61 0.00 1.70 2.02 -1.26 -5.00 118.70 119.64 2kpm s GLU 99 Ca 0.11 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.31 2kpm s GLU 99 Cb -0.19 -2.58 0.06 0.00 0.10 0.00 0.00 34.13 31.52 2kpm s GLU 99 CO -0.08 0.55 0.52 -2.39 0.02 0.00 0.00 175.26 173.88 2kpm n HIS 100 N 0.58 0.00 0.27 1.61 1.44 -1.26 -3.28 115.22 114.58 2kpm n HIS 100 Ca -0.11 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.64 2kpm n HIS 100 Cb 0.52 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.81 2kpm n HIS 100 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kpm n HIS 101 N -0.53 0.03 -0.65 -1.40 1.44 -1.26 -3.39 115.22 109.45 2kpm n HIS 101 Ca 0.01 0.01 -0.06 0.00 -2.01 0.00 0.00 57.72 55.67 2kpm n HIS 101 Cb 0.00 -0.52 -0.09 0.00 0.12 0.00 0.00 29.99 29.51 2kpm n HIS 101 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kpm n HIS 102 N -1.53 0.00 -1.90 -1.40 1.44 -1.21 -4.86 115.22 105.77 2kpm n HIS 102 Ca 0.02 -1.05 -0.23 0.00 -2.01 0.00 0.00 57.72 54.45 2kpm n HIS 102 Cb 0.09 -1.02 -0.06 0.00 0.12 0.00 0.00 29.99 29.12 2kpm n HIS 102 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kpm s HIS 103 N 1.03 1.62 0.03 -1.40 2.46 -1.22 -4.92 115.29 112.89 2kpm s HIS 103 Ca 0.34 1.09 0.06 0.00 0.47 0.00 0.00 55.06 57.02 2kpm s HIS 103 Cb 0.16 -3.82 -0.03 0.00 -0.13 0.00 0.00 32.58 28.76 2kpm s HIS 103 CO 0.00 -1.47 -0.16 -1.01 -2.47 0.00 0.00 174.74 169.63 2kpm s HIS 104 N 12.14 2.62 -2.61 3.88 3.76 -1.26 -5.26 115.29 128.55 2kpm s HIS 104 Ca 0.76 -0.22 0.27 0.00 -0.15 0.00 0.00 55.06 55.72 2kpm s HIS 104 Cb -0.07 -1.50 0.86 0.00 1.11 0.00 0.00 32.58 32.99 2kpm s HIS 104 CO 0.06 0.26 1.64 0.72 -0.85 0.00 0.00 174.74 176.57