#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptt s SER 5 N 0.00 6.46 -0.19 1.61 0.01 -1.26 -4.99 113.70 115.35 2ptt s SER 5 Ca 0.00 2.87 -0.21 0.00 1.31 0.00 0.00 55.95 59.92 2ptt s SER 5 Cb 0.00 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 2ptt s SER 5 CO 0.00 -0.77 0.65 -0.63 0.41 0.00 0.00 173.24 172.90 2ptt s ILE 6 N -1.15 5.01 0.30 1.44 1.01 -1.26 -5.03 121.20 121.53 2ptt s ILE 6 Ca 0.52 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 2ptt s ILE 6 Cb -0.43 -3.97 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 2ptt s ILE 6 CO 0.57 0.11 1.46 -2.65 0.00 0.00 0.00 174.94 174.43 2ptt n PRO 7 N 4.97 2.38 -0.20 2.79 -0.02 -1.26 -4.91 135.00 138.75 2ptt n PRO 7 Ca -0.01 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2ptt n PRO 7 Cb 0.50 -2.53 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2ptt n PRO 7 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2ptt h ASP 8 N 3.83 0.69 -3.76 2.55 3.32 -1.85 -3.44 116.42 117.77 2ptt h ASP 8 Ca -0.47 -0.08 -0.54 0.00 0.02 0.00 0.00 57.03 55.96 2ptt h ASP 8 Cb 1.26 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 2ptt h ASP 8 CO 0.72 0.57 -0.83 -0.63 -1.72 0.00 0.00 179.24 177.36 2ptt s ILE 9 N -5.90 1.31 -0.09 0.35 -1.09 -0.51 -5.00 121.20 110.26 2ptt s ILE 9 Ca -0.13 -0.63 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2ptt s ILE 9 Cb 0.12 -1.14 0.01 0.00 -1.58 0.00 0.00 42.46 39.87 2ptt s ILE 9 CO 0.76 0.38 -0.19 0.20 -1.23 0.00 0.00 174.94 174.87 2ptt s ASN 10 N 0.21 2.61 0.02 3.58 0.01 -1.26 -0.88 114.94 119.23 2ptt s ASN 10 Ca -0.07 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 2ptt s ASN 10 Cb -0.12 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.33 2ptt s ASN 10 CO 0.03 0.10 -0.05 0.00 -1.51 0.00 0.00 177.10 175.66 2ptt s ALA 11 N 0.56 0.39 0.30 0.60 0.00 -0.30 -4.99 121.76 118.31 2ptt s ALA 11 Ca -0.15 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 2ptt s ALA 11 Cb -0.17 0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.88 2ptt s ALA 11 CO 0.05 -0.01 1.05 0.71 0.00 0.00 0.00 175.76 177.57 2ptt s TYR 12 N -0.90 3.61 0.23 0.00 2.02 -1.26 -0.86 117.35 120.19 2ptt s TYR 12 Ca -0.07 1.74 -0.31 0.00 -0.37 0.00 0.00 57.07 58.06 2ptt s TYR 12 Cb -0.07 -3.18 -0.14 0.00 -0.40 0.00 0.00 41.96 38.17 2ptt s TYR 12 CO -0.00 -0.33 1.32 2.41 -1.57 0.00 0.00 175.55 177.38 2ptt n THR 13 N 1.00 1.02 0.00 -0.71 -1.04 0.20 -1.20 114.28 113.55 2ptt n THR 13 Ca -0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2ptt n THR 13 Cb 0.46 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2ptt n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ptt n GLY 14 N 2.02 1.69 3.92 3.41 0.00 0.38 -4.60 105.19 112.01 2ptt n GLY 14 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2ptt n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ptt s SER 15 N -3.11 3.98 -0.13 1.61 1.04 -0.34 -4.13 113.70 112.63 2ptt s SER 15 Ca 0.00 0.45 -0.06 0.00 0.48 0.00 0.00 55.95 56.82 2ptt s SER 15 Cb 0.00 -0.78 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 2ptt s SER 15 CO 0.00 -2.19 0.09 0.20 0.98 0.00 0.00 173.24 172.31 2ptt s ASN 16 N -4.71 5.93 0.12 7.02 0.01 -1.26 -0.79 114.94 121.26 2ptt s ASN 16 Ca 0.67 0.29 0.11 0.00 -0.71 0.00 0.00 52.86 53.22 2ptt s ASN 16 Cb -0.08 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 2ptt s ASN 16 CO 0.50 0.34 -0.26 0.54 -1.51 0.00 0.00 177.10 176.71 2ptt s VAL 17 N -0.64 2.19 -0.12 1.60 0.11 0.23 -4.98 120.40 118.80 2ptt s VAL 17 Ca 0.12 -1.70 0.03 0.00 -2.93 0.00 0.00 61.98 57.50 2ptt s VAL 17 Cb -0.12 -1.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.80 2ptt s VAL 17 CO 0.02 0.10 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.78 2ptt s THR 18 N -1.05 2.16 -0.49 5.04 2.01 -1.26 -1.22 115.64 120.83 2ptt s THR 18 Ca 0.13 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 2ptt s THR 18 Cb -0.10 -1.84 0.13 0.00 0.01 0.00 0.00 72.50 70.69 2ptt s THR 18 CO 0.05 0.55 0.33 -0.76 -0.69 0.00 0.00 174.62 174.10 2ptt s LEU 19 N 0.52 5.51 -0.27 4.42 1.43 0.55 -4.98 118.68 125.86 2ptt s LEU 19 Ca -0.14 -2.14 -0.03 0.00 -1.03 0.00 0.00 54.13 50.79 2ptt s LEU 19 Cb -0.17 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 2ptt s LEU 19 CO 0.05 -0.58 -0.01 -0.75 0.23 0.00 0.00 176.35 175.29 2ptt s LYS 20 N 1.00 2.88 -0.16 1.70 2.20 -1.26 -1.46 119.74 124.64 2ptt s LYS 20 Ca 0.09 -0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 54.55 2ptt s LYS 20 Cb -0.23 -3.13 -0.23 0.00 -1.51 0.00 0.00 37.83 32.73 2ptt s LYS 20 CO -0.03 -0.44 0.36 0.82 -0.36 0.00 0.00 175.35 175.70 2ptt h ILE 21 N 6.08 0.94 -3.37 5.43 2.04 -1.92 -3.46 117.51 123.24 2ptt h ILE 21 Ca -0.31 -2.27 -0.66 0.00 1.00 0.00 0.00 64.86 62.62 2ptt h ILE 21 Cb 1.11 2.46 -0.19 0.00 -0.74 0.00 0.00 36.82 39.46 2ptt h ILE 21 CO 0.58 0.53 -0.65 -1.00 0.00 0.00 0.00 178.15 177.61 2ptt s HIS 22 N -2.42 3.06 0.20 1.37 3.76 -1.26 -4.99 115.29 115.02 2ptt s HIS 22 Ca -0.25 -0.07 0.05 0.00 -0.15 0.00 0.00 55.06 54.64 2ptt s HIS 22 Cb 0.05 -1.87 0.12 0.00 1.11 0.00 0.00 32.58 31.99 2ptt s HIS 22 CO 0.67 0.19 1.47 0.87 -0.85 0.00 0.00 174.74 177.09 2ptt h LYS 23 N 6.00 0.16 -6.90 1.40 1.57 -1.92 -3.47 116.57 113.40 2ptt h LYS 23 Ca -0.40 -0.15 -0.47 0.00 -1.87 0.00 0.00 60.65 57.77 2ptt h LYS 23 Cb 1.19 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2ptt h LYS 23 CO 0.59 0.84 0.34 0.34 -0.57 0.00 0.00 179.45 180.99 2ptt s ASP 24 N -6.89 7.27 0.49 0.86 -1.08 -1.26 -4.94 116.67 111.11 2ptt s ASP 24 Ca -0.03 1.80 -0.21 0.00 -0.52 0.00 0.00 52.55 53.59 2ptt s ASP 24 Cb 0.11 -2.57 -0.10 0.00 -1.46 0.00 0.00 42.92 38.90 2ptt s ASP 24 CO 0.81 -0.11 0.69 -2.65 0.52 0.00 0.00 175.17 174.43 2ptt n PRO 25 N 0.38 0.77 -0.19 4.34 -0.02 -1.26 -4.66 135.00 134.36 2ptt n PRO 25 Ca 0.03 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.81 2ptt n PRO 25 Cb 0.51 -1.77 0.28 0.00 -0.02 0.00 0.00 33.50 32.50 2ptt n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ptt h LEU 26 N 0.76 0.79 -0.07 2.45 5.85 -1.46 -3.48 115.31 120.16 2ptt h LEU 26 Ca -0.44 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2ptt h LEU 26 Cb 1.38 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2ptt h LEU 26 CO 0.51 0.56 -0.14 0.61 -0.34 0.00 0.00 178.44 179.64 2ptt n GLY 27 N -1.43 -1.53 3.77 3.75 0.00 -1.26 -4.83 105.19 103.66 2ptt n GLY 27 Ca 0.08 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2ptt n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ptt s PRO 28 N -1.45 4.41 0.26 1.61 0.02 -1.26 -5.01 135.00 133.58 2ptt s PRO 28 Ca 0.00 2.13 -0.09 0.00 0.02 0.00 0.00 61.00 63.06 2ptt s PRO 28 Cb 0.00 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.42 2ptt s PRO 28 CO 0.00 -0.11 0.44 1.52 -0.33 0.00 0.00 177.00 178.52 2ptt s TYR 29 N -1.09 0.59 -0.17 6.54 -0.85 -1.26 -4.89 117.35 116.22 2ptt s TYR 29 Ca 0.48 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 2ptt s TYR 29 Cb -0.38 0.06 -0.13 0.00 0.38 0.00 0.00 41.96 41.90 2ptt s TYR 29 CO 0.50 -0.99 -0.11 0.54 -1.52 0.00 0.00 175.55 173.97 2ptt n ARG 30 N -0.41 0.75 -3.76 -3.49 1.74 0.75 -4.68 116.66 107.56 2ptt n ARG 30 Ca -0.01 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 2ptt n ARG 30 Cb 0.62 -1.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.63 2ptt n ARG 30 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2ptt s ARG 31 N -2.34 0.64 -0.05 5.56 3.52 -1.04 -0.50 118.95 124.74 2ptt s ARG 31 Ca -0.20 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2ptt s ARG 31 Cb 0.06 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 2ptt s ARG 31 CO 0.44 -0.17 -0.11 -1.50 -0.81 0.00 0.00 175.30 173.15 2ptt s ILE 32 N -1.18 1.01 -0.04 4.11 2.07 0.04 -0.68 121.20 126.53 2ptt s ILE 32 Ca -0.12 -0.44 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 2ptt s ILE 32 Cb -0.05 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.63 2ptt s ILE 32 CO 0.04 0.31 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.35 2ptt s THR 33 N 0.42 1.20 -0.03 4.00 2.01 -0.04 -0.64 115.64 122.55 2ptt s THR 33 Ca -0.09 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2ptt s THR 33 Cb -0.12 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 2ptt s THR 33 CO 0.02 0.36 -0.12 0.26 -0.69 0.00 0.00 174.62 174.44 2ptt s TRP 34 N 0.19 2.75 0.07 4.92 0.52 -0.76 -0.37 118.94 126.26 2ptt s TRP 34 Ca -0.05 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 55.98 2ptt s TRP 34 Cb -0.11 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.56 2ptt s TRP 34 CO 0.02 0.25 -0.11 -0.51 0.02 0.00 0.00 176.95 176.62 2ptt s LEU 35 N -0.94 2.32 -0.34 2.99 1.02 0.24 -0.19 118.68 123.78 2ptt s LEU 35 Ca 0.13 -0.68 -0.06 0.00 0.02 0.00 0.00 54.13 53.54 2ptt s LEU 35 Cb -0.11 -0.33 0.05 0.00 0.02 0.00 0.00 46.19 45.81 2ptt s LEU 35 CO 0.02 -0.19 0.10 -2.28 0.02 0.00 0.00 176.35 174.03 2ptt s HIS 36 N -1.78 3.27 0.25 0.29 5.65 -0.02 -0.69 115.29 122.27 2ptt s HIS 36 Ca -0.01 -1.54 0.00 0.00 0.25 0.00 0.00 55.06 53.76 2ptt s HIS 36 Cb -0.07 -2.32 0.00 0.00 -1.18 0.00 0.00 32.58 29.01 2ptt s HIS 36 CO 0.01 -0.76 0.00 0.25 -0.65 0.00 0.00 174.74 173.59 2ptt n THR 37 N 4.78 0.00 0.98 0.89 -2.24 0.18 -3.40 114.28 115.48 2ptt n THR 37 Ca -0.12 0.23 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 2ptt n THR 37 Cb 0.44 -0.49 0.52 0.00 -2.10 0.00 0.00 70.33 68.70 2ptt n THR 37 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2ptt n LYS 38 N -3.38 0.31 -0.08 -0.78 2.85 -1.26 -3.63 118.16 112.19 2ptt n LYS 38 Ca -0.02 0.09 0.05 0.00 -1.05 0.00 0.00 58.31 57.38 2ptt n LYS 38 Cb 0.35 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.32 2ptt n LYS 38 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2ptt n ASN 39 N -1.27 2.34 -3.61 -5.58 4.13 -1.26 -4.92 115.26 105.10 2ptt n ASN 39 Ca 0.10 -1.72 -0.22 0.00 1.68 0.00 0.00 54.58 54.42 2ptt n ASN 39 Cb 0.16 -0.11 -0.16 0.00 -1.54 0.00 0.00 39.78 38.13 2ptt n ASN 39 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2ptt s GLN 40 N -0.91 0.05 0.20 3.52 2.00 -1.22 -5.06 119.66 118.24 2ptt s GLN 40 Ca 0.16 0.16 -0.24 0.00 -2.00 0.00 0.00 55.36 53.43 2ptt s GLN 40 Cb 0.09 -1.23 -0.08 0.00 0.80 0.00 0.00 33.01 32.59 2ptt s GLN 40 CO 0.13 -0.55 0.79 0.15 -0.50 0.00 0.00 175.29 175.31 2ptt s LYS 41 N 2.20 4.50 -0.27 1.67 1.02 -1.26 -0.84 119.74 126.76 2ptt s LYS 41 Ca 0.04 1.12 -0.10 0.00 0.02 0.00 0.00 55.97 57.04 2ptt s LYS 41 Cb -0.15 -3.11 -0.14 0.00 -0.52 0.00 0.00 37.83 33.92 2ptt s LYS 41 CO -0.08 0.49 -0.30 -0.89 -0.92 0.00 0.00 175.35 173.65 2ptt n ILE 42 N 1.25 1.52 -3.64 2.17 5.41 0.73 -4.71 119.36 122.09 2ptt n ILE 42 Ca -0.04 -0.42 -0.11 0.00 1.00 0.00 0.00 62.75 63.18 2ptt n ILE 42 Cb 0.49 -1.78 -0.05 0.00 -0.71 0.00 0.00 39.64 37.60 2ptt n ILE 42 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2ptt s LEU 43 N -7.29 0.41 -0.19 1.39 0.05 -1.20 -2.05 118.68 109.81 2ptt s LEU 43 Ca -0.38 -0.23 -0.04 0.00 0.05 0.00 0.00 54.13 53.53 2ptt s LEU 43 Cb 0.13 1.80 0.09 0.00 -2.05 0.00 0.00 46.19 46.17 2ptt s LEU 43 CO 0.52 -0.80 0.27 -0.70 -0.55 0.00 0.00 176.35 175.10 2ptt s GLU 44 N -3.44 0.22 -0.22 1.48 2.12 -0.22 -1.83 118.70 116.81 2ptt s GLU 44 Ca 0.01 0.47 -0.01 0.00 0.36 0.00 0.00 54.97 55.80 2ptt s GLU 44 Cb 0.01 -0.64 0.02 0.00 0.26 0.00 0.00 34.13 33.78 2ptt s GLU 44 CO -0.09 -0.53 -0.11 0.71 -0.54 0.00 0.00 175.26 174.70 2ptt s TYR 45 N 2.41 2.95 -0.14 5.30 1.51 0.18 -1.12 117.35 128.45 2ptt s TYR 45 Ca 0.06 -1.51 -0.18 0.00 -1.01 0.00 0.00 57.07 54.44 2ptt s TYR 45 Cb -0.14 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2ptt s TYR 45 CO -0.12 -0.73 0.48 -0.80 -1.11 0.00 0.00 175.55 173.27 2ptt s ASN 46 N 1.33 6.64 0.16 2.29 0.01 -0.14 -0.78 114.94 124.46 2ptt s ASN 46 Ca 0.03 0.76 -0.32 0.00 -0.71 0.00 0.00 52.86 52.62 2ptt s ASN 46 Cb -0.15 -2.28 -0.11 0.00 0.41 0.00 0.00 41.25 39.12 2ptt s ASN 46 CO -0.07 -0.04 1.74 -0.47 -1.51 0.00 0.00 177.10 176.75 2ptt s TYR 47 N 0.88 2.62 -1.83 2.20 5.04 0.35 -1.15 117.35 125.46 2ptt s TYR 47 Ca 0.25 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2ptt s TYR 47 Cb -0.15 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.04 2ptt s TYR 47 CO 0.10 -4.40 0.00 0.09 -1.34 0.00 0.00 175.55 170.00 2ptt n ASN 48 N 4.69 -4.97 0.00 4.32 4.13 -1.26 -4.87 115.26 117.30 2ptt n ASN 48 Ca 0.16 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.75 2ptt n ASN 48 Cb 0.37 -4.36 0.00 0.00 -1.54 0.00 0.00 39.78 34.25 2ptt n ASN 48 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2ptt n SER 49 N -1.35 0.00 -4.71 6.41 2.88 -0.30 -5.12 113.62 111.43 2ptt n SER 49 Ca -0.19 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.93 2ptt n SER 49 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 2ptt n SER 49 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2ptt s THR 50 N 0.11 2.33 -0.13 2.46 2.01 -1.26 -4.60 115.64 116.57 2ptt s THR 50 Ca 0.00 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.19 2ptt s THR 50 Cb 0.00 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.41 2ptt s THR 50 CO 0.00 0.01 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.18 2ptt s LYS 51 N 1.51 2.98 -0.08 4.92 1.02 -1.26 -0.96 119.74 127.86 2ptt s LYS 51 Ca 0.74 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.91 2ptt s LYS 51 Cb -0.47 -2.37 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2ptt s LYS 51 CO 0.32 0.02 -0.14 0.99 -0.92 0.00 0.00 175.35 175.63 2ptt s THR 52 N 0.72 1.32 -0.29 2.17 2.01 -0.28 -5.01 115.64 116.29 2ptt s THR 52 Ca -0.10 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 2ptt s THR 52 Cb -0.16 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.16 2ptt s THR 52 CO 0.00 0.40 0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 2ptt s ILE 53 N 0.79 3.90 0.80 1.82 1.01 -1.26 -1.06 121.20 127.20 2ptt s ILE 53 Ca -0.12 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 2ptt s ILE 53 Cb -0.16 -2.98 0.08 0.00 0.01 0.00 0.00 42.46 39.41 2ptt s ILE 53 CO 0.02 0.12 1.15 -0.36 0.00 0.00 0.00 174.94 175.87 2ptt s PHE 54 N 1.50 2.07 -1.42 3.97 0.08 -0.87 -4.88 117.98 118.43 2ptt s PHE 54 Ca 0.03 1.66 -0.15 0.00 0.12 0.00 0.00 56.93 58.59 2ptt s PHE 54 Cb -0.17 -3.29 0.03 0.00 -0.57 0.00 0.00 43.02 39.02 2ptt s PHE 54 CO 0.02 -2.40 2.19 0.39 -0.10 0.00 0.00 175.22 175.33 2ptt n GLU 55 N -3.47 2.79 -3.89 0.44 -0.58 -1.26 -4.30 120.64 110.37 2ptt n GLU 55 Ca 0.11 -2.59 -0.22 0.00 -0.42 0.00 0.00 57.16 54.04 2ptt n GLU 55 Cb 0.52 -3.28 -0.05 0.00 -0.57 0.00 0.00 31.44 28.06 2ptt n GLU 55 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2ptt n SER 56 N 6.28 2.49 0.10 1.62 3.41 -1.26 -5.00 113.62 121.26 2ptt n SER 56 Ca 0.52 -2.61 0.09 0.00 -0.26 0.00 0.00 58.87 56.60 2ptt n SER 56 Cb 0.39 0.40 0.42 0.00 -0.26 0.00 0.00 64.21 65.16 2ptt n SER 56 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2ptt n GLU 57 N -0.85 0.11 0.03 4.33 0.00 -1.26 -1.45 120.64 121.56 2ptt n GLU 57 Ca -0.12 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.67 2ptt n GLU 57 Cb 0.46 -1.80 0.23 0.00 0.00 0.00 0.00 31.44 30.34 2ptt n GLU 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2ptt n PHE 58 N -2.02 0.29 -1.81 -1.84 3.72 -1.26 -4.88 117.46 109.67 2ptt n PHE 58 Ca 0.00 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 2ptt n PHE 58 Cb 0.10 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.14 2ptt n PHE 58 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2ptt s LYS 59 N -3.09 4.15 0.00 -1.08 2.47 -0.53 -0.73 119.74 120.93 2ptt s LYS 59 Ca 0.09 2.53 0.00 0.00 -1.56 0.00 0.00 55.97 57.03 2ptt s LYS 59 Cb 0.15 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.47 2ptt s LYS 59 CO 0.70 -0.64 0.00 0.41 0.16 0.00 0.00 175.35 175.98 2ptt n GLY 60 N 2.78 1.53 0.01 5.54 0.00 -1.26 -4.84 105.19 108.94 2ptt n GLY 60 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ptt n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptt n ARG 61 N -2.00 -0.78 -4.23 1.61 1.74 0.09 -4.98 116.66 108.10 2ptt n ARG 61 Ca 0.00 -0.56 -0.21 0.00 -0.77 0.00 0.00 57.85 56.31 2ptt n ARG 61 Cb 0.00 -1.00 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 2ptt n ARG 61 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ptt s VAL 62 N -0.06 1.43 0.18 1.55 -7.23 -1.18 -0.47 120.40 114.62 2ptt s VAL 62 Ca 0.00 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 2ptt s VAL 62 Cb 0.00 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.59 2ptt s VAL 62 CO 0.00 -0.17 0.39 -0.72 -0.31 0.00 0.00 175.10 174.29 2ptt s TYR 63 N -1.34 0.18 -0.15 2.82 -0.85 -0.96 -5.00 117.35 112.05 2ptt s TYR 63 Ca 0.03 -0.53 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 2ptt s TYR 63 Cb -0.09 0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.36 2ptt s TYR 63 CO 0.03 -0.82 -0.01 -1.17 -1.52 0.00 0.00 175.55 172.07 2ptt s LEU 64 N -2.93 3.42 -0.56 -3.49 2.96 -1.26 -1.14 118.68 115.68 2ptt s LEU 64 Ca 0.14 -0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.73 2ptt s LEU 64 Cb 0.01 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.90 2ptt s LEU 64 CO -0.01 0.21 1.32 -0.70 -1.32 0.00 0.00 176.35 175.86 2ptt s GLU 65 N 0.11 3.41 0.38 1.98 2.12 0.14 -4.91 118.70 121.93 2ptt s GLU 65 Ca 0.01 0.41 0.06 0.00 0.36 0.00 0.00 54.97 55.81 2ptt s GLU 65 Cb -0.13 -4.07 0.78 0.00 0.26 0.00 0.00 34.13 30.97 2ptt s GLU 65 CO 0.02 -1.80 1.98 0.93 -0.54 0.00 0.00 175.26 175.86 2ptt h GLU 66 N 10.40 0.68 0.08 4.30 4.39 -1.95 0.44 114.58 132.93 2ptt h GLU 66 Ca -0.26 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.40 2ptt h GLU 66 Cb 1.08 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2ptt h GLU 66 CO 1.17 0.45 -0.10 -0.97 -1.16 0.00 0.00 179.01 178.40 2ptt h ASN 67 N 0.70 -0.27 -0.01 1.42 -0.00 -1.98 -3.34 115.58 112.10 2ptt h ASN 67 Ca 0.27 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 2ptt h ASN 67 Cb 0.20 0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 2ptt h ASN 67 CO -0.08 -0.15 0.00 -0.46 -0.00 0.00 0.00 177.43 176.73 2ptt n ASN 68 N -5.22 1.32 -0.02 1.15 0.23 -1.19 -1.24 115.26 110.29 2ptt n ASN 68 Ca -0.07 -1.29 -0.00 0.00 -0.53 0.00 0.00 54.58 52.69 2ptt n ASN 68 Cb 0.14 -0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.84 2ptt n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ptt n GLY 69 N -0.09 0.47 3.77 4.83 0.00 0.16 -4.72 105.19 109.61 2ptt n GLY 69 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2ptt n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptt s ALA 70 N -1.97 3.08 -0.12 4.61 0.00 -1.21 -4.69 121.76 121.47 2ptt s ALA 70 Ca 0.00 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 2ptt s ALA 70 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2ptt s ALA 70 CO 0.00 -0.81 0.30 -1.17 0.00 0.00 0.00 175.76 174.08 2ptt s LEU 71 N -2.80 4.32 -0.08 0.00 2.96 -0.53 -0.69 118.68 121.86 2ptt s LEU 71 Ca 0.61 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2ptt s LEU 71 Cb -0.34 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 2ptt s LEU 71 CO 0.42 0.20 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.55 2ptt s HIS 72 N -0.13 2.84 -0.09 5.38 3.76 -0.29 -0.33 115.29 126.43 2ptt s HIS 72 Ca 0.18 -0.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2ptt s HIS 72 Cb -0.14 -1.73 0.02 0.00 1.11 0.00 0.00 32.58 31.85 2ptt s HIS 72 CO 0.06 0.15 -0.06 0.42 -0.85 0.00 0.00 174.74 174.46 2ptt s ILE 73 N -0.45 0.82 0.27 0.60 1.01 -0.36 -2.28 121.20 120.82 2ptt s ILE 73 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 2ptt s ILE 73 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2ptt s ILE 73 CO 0.02 0.32 0.48 -0.94 0.00 0.00 0.00 174.94 174.82 2ptt s SER 74 N 1.55 6.36 -1.22 3.58 1.04 0.39 -0.60 113.70 124.80 2ptt s SER 74 Ca 0.01 0.47 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 2ptt s SER 74 Cb -0.13 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 2ptt s SER 74 CO -0.05 -0.17 0.71 -3.20 0.98 0.00 0.00 173.24 171.51 2ptt n ASN 75 N -1.15 -3.48 -4.77 7.02 4.05 -0.90 -4.84 115.26 111.20 2ptt n ASN 75 Ca -0.04 -0.94 -0.41 0.00 0.45 0.00 0.00 54.58 53.63 2ptt n ASN 75 Cb 0.55 -3.62 0.00 0.00 1.23 0.00 0.00 39.78 37.94 2ptt n ASN 75 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 2ptt n VAL 76 N -4.17 2.06 -4.17 3.44 3.14 0.03 -4.60 118.33 114.06 2ptt n VAL 76 Ca -0.18 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.47 2ptt n VAL 76 Cb 0.63 -1.96 -0.05 0.00 -1.06 0.00 0.00 33.84 31.40 2ptt n VAL 76 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2ptt s ARG 77 N -2.13 2.72 0.38 1.45 0.52 -1.26 -0.47 118.95 120.16 2ptt s ARG 77 Ca 0.54 -1.16 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2ptt s ARG 77 Cb -0.47 -2.44 0.76 0.00 0.52 0.00 0.00 34.95 33.32 2ptt s ARG 77 CO 0.63 0.39 2.03 0.87 0.02 0.00 0.00 175.30 179.25 2ptt h LYS 78 N 1.68 0.67 0.00 3.54 1.57 -1.94 -0.18 116.57 121.90 2ptt h LYS 78 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2ptt h LYS 78 Cb 1.24 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ptt h LYS 78 CO 0.61 0.44 0.00 1.05 -0.57 0.00 0.00 179.45 180.98 2ptt h GLU 79 N 0.69 0.00 0.00 3.15 4.11 -1.99 -2.01 114.58 118.53 2ptt h GLU 79 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2ptt h GLU 79 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2ptt h GLU 79 CO -0.05 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.78 2ptt n ASP 80 N -2.50 0.00 -4.70 3.06 8.00 -0.08 -4.87 116.55 115.45 2ptt n ASP 80 Ca 0.00 0.37 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 2ptt n ASP 80 Cb 0.17 -0.45 0.13 0.00 -0.02 0.00 0.00 41.12 40.95 2ptt n ASP 80 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ptt s LYS 81 N -2.90 1.62 0.00 -1.24 -2.85 -0.76 -4.88 119.74 108.73 2ptt s LYS 81 Ca 0.14 1.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.74 2ptt s LYS 81 Cb 0.16 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 34.14 2ptt s LYS 81 CO 0.42 -2.20 0.00 0.41 0.10 0.00 0.00 175.35 174.07 2ptt n GLY 82 N 0.20 0.50 3.74 0.59 0.00 0.36 -4.96 105.19 105.61 2ptt n GLY 82 Ca 0.12 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 2ptt n GLY 82 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ptt s THR 83 N -0.72 5.29 0.09 2.61 2.01 -1.26 -1.15 115.64 122.50 2ptt s THR 83 Ca 0.00 0.58 0.07 0.00 0.31 0.00 0.00 61.69 62.64 2ptt s THR 83 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2ptt s THR 83 CO 0.00 0.41 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.93 2ptt s TYR 84 N 0.30 2.75 -0.04 4.92 2.02 0.28 -0.64 117.35 126.94 2ptt s TYR 84 Ca 0.17 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.78 2ptt s TYR 84 Cb -0.13 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2ptt s TYR 84 CO 0.05 0.41 -0.19 0.71 -1.57 0.00 0.00 175.55 174.96 2ptt s TYR 85 N -1.17 1.83 -0.23 2.71 2.02 0.13 -1.06 117.35 121.58 2ptt s TYR 85 Ca 0.21 -0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 2ptt s TYR 85 Cb -0.11 -1.21 -0.01 0.00 -0.40 0.00 0.00 41.96 40.23 2ptt s TYR 85 CO 0.13 -0.13 -0.01 1.41 -1.57 0.00 0.00 175.55 175.37 2ptt s MET 86 N -0.16 3.40 -0.22 -0.62 -2.45 0.37 -0.59 119.30 119.04 2ptt s MET 86 Ca -0.00 -0.62 -0.03 0.00 -1.25 0.00 0.00 55.69 53.79 2ptt s MET 86 Cb -0.11 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 32.89 2ptt s MET 86 CO 0.01 -0.22 -0.07 1.03 1.05 0.00 0.00 175.02 176.83 2ptt s ARG 87 N 1.50 3.18 -0.22 4.11 0.52 0.50 -0.88 118.95 127.66 2ptt s ARG 87 Ca 0.06 -0.75 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 2ptt s ARG 87 Cb -0.15 -2.94 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 2ptt s ARG 87 CO -0.02 -0.25 -0.05 0.08 0.02 0.00 0.00 175.30 175.08 2ptt s VAL 88 N 1.41 3.29 -0.31 3.52 1.01 -1.21 -0.87 120.40 127.24 2ptt s VAL 88 Ca 0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2ptt s VAL 88 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2ptt s VAL 88 CO -0.05 0.41 0.60 -0.22 0.00 0.00 0.00 175.10 175.83 2ptt s LEU 89 N 1.46 4.17 0.00 3.92 2.96 0.15 -1.22 118.68 130.12 2ptt s LEU 89 Ca 0.05 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2ptt s LEU 89 Cb -0.14 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.79 2ptt s LEU 89 CO -0.04 -0.47 0.00 0.54 -1.32 0.00 0.00 176.35 175.07 2ptt n ARG 90 N 5.84 0.00 -0.10 1.98 1.74 -1.26 -0.18 116.66 124.67 2ptt n ARG 90 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 2ptt n ARG 90 Cb 0.49 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.89 2ptt n ARG 90 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2ptt h GLU 91 N 0.00 0.66 -5.34 5.56 9.09 -1.95 -3.44 114.58 119.17 2ptt h GLU 91 Ca 0.00 -0.30 -0.57 0.00 0.05 0.00 0.00 59.36 58.54 2ptt h GLU 91 Cb 0.00 -0.01 -0.13 0.00 -1.65 0.00 0.00 28.75 26.95 2ptt h GLU 91 CO 0.00 0.89 -0.58 0.95 0.05 0.00 0.00 179.01 180.32 2ptt s THR 92 N -4.57 1.38 -0.21 -1.06 -4.23 -1.26 -5.14 115.64 100.55 2ptt s THR 92 Ca -0.13 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.31 2ptt s THR 92 Cb 0.09 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2ptt s THR 92 CO 0.81 0.00 0.08 -0.70 -0.54 0.00 0.00 174.62 174.26 2ptt s GLU 93 N -3.81 3.90 0.55 3.99 2.12 -1.26 -4.40 118.70 119.80 2ptt s GLU 93 Ca 0.30 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.29 2ptt s GLU 93 Cb 0.07 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.23 2ptt s GLU 93 CO 0.14 0.13 0.76 1.21 -0.54 0.00 0.00 175.26 176.96 2ptt s ASN 94 N 0.78 5.19 -0.12 -1.70 2.47 -0.36 -4.93 114.94 116.28 2ptt s ASN 94 Ca 0.04 -0.30 -0.05 0.00 0.42 0.00 0.00 52.86 52.98 2ptt s ASN 94 Cb -0.13 -0.51 0.06 0.00 -1.45 0.00 0.00 41.25 39.22 2ptt s ASN 94 CO 0.02 -1.19 0.25 -0.70 -3.72 0.00 0.00 177.10 171.76 2ptt s GLU 95 N -4.71 0.16 0.01 0.43 2.12 -1.26 -3.32 118.70 112.13 2ptt s GLU 95 Ca 0.59 0.68 0.08 0.00 0.36 0.00 0.00 54.97 56.68 2ptt s GLU 95 Cb -0.09 -0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 2ptt s GLU 95 CO 0.38 -0.25 -0.26 -0.51 -0.54 0.00 0.00 175.26 174.08 2ptt s LEU 96 N 2.09 2.14 0.14 2.70 1.43 -0.06 -4.96 118.68 122.16 2ptt s LEU 96 Ca -0.02 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.64 2ptt s LEU 96 Cb -0.12 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2ptt s LEU 96 CO -0.08 0.29 -0.08 -1.59 0.23 0.00 0.00 176.35 175.12 2ptt s LYS 97 N -0.94 2.16 -0.05 1.70 -2.85 -1.26 -0.47 119.74 118.03 2ptt s LYS 97 Ca 0.11 -1.12 -0.11 0.00 -1.00 0.00 0.00 55.97 53.84 2ptt s LYS 97 Cb -0.10 -2.27 0.02 0.00 -2.06 0.00 0.00 37.83 33.42 2ptt s LYS 97 CO 0.01 0.47 0.27 -1.50 0.10 0.00 0.00 175.35 174.70 2ptt s ILE 98 N -1.49 0.04 0.11 3.79 2.07 -0.22 -5.00 121.20 120.50 2ptt s ILE 98 Ca 0.24 -0.31 0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2ptt s ILE 98 Cb -0.10 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 2ptt s ILE 98 CO 0.15 -0.17 -0.20 0.42 -1.91 0.00 0.00 174.94 173.23 2ptt s THR 99 N -0.70 2.73 -0.05 4.00 -4.23 -1.26 -0.56 115.64 115.56 2ptt s THR 99 Ca -0.08 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2ptt s THR 99 Cb -0.04 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.58 2ptt s THR 99 CO 0.02 0.13 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.90 2ptt s LEU 100 N -2.04 1.64 0.06 4.79 2.96 -0.30 -1.43 118.68 124.36 2ptt s LEU 100 Ca 0.17 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 2ptt s LEU 100 Cb -0.10 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 2ptt s LEU 100 CO 0.09 0.03 -0.25 -0.70 -1.32 0.00 0.00 176.35 174.21 2ptt s GLU 101 N 0.57 1.78 -0.06 1.98 2.56 -0.06 -0.49 118.70 124.98 2ptt s GLU 101 Ca -0.11 -1.13 0.05 0.00 0.00 0.00 0.00 54.97 53.77 2ptt s GLU 101 Cb -0.14 -2.01 -0.00 0.00 2.00 0.00 0.00 34.13 33.98 2ptt s GLU 101 CO 0.02 0.51 -0.20 0.08 -0.56 0.00 0.00 175.26 175.10 2ptt s VAL 102 N -0.89 1.72 -0.08 3.70 1.01 -1.26 -1.15 120.40 123.46 2ptt s VAL 102 Ca 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2ptt s VAL 102 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2ptt s VAL 102 CO 0.04 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.11 2ptt s PHE 103 N 0.07 1.74 0.32 5.22 0.08 -0.03 -4.90 117.98 120.48 2ptt s PHE 103 Ca -0.07 -0.68 -0.29 0.00 0.12 0.00 0.00 56.93 56.01 2ptt s PHE 103 Cb -0.14 -1.24 -0.11 0.00 -0.57 0.00 0.00 43.02 40.97 2ptt s PHE 103 CO 0.04 -0.33 1.48 -0.51 -0.10 0.00 0.00 175.22 175.81 2ptt s ASP 104 N 0.63 6.47 0.58 1.36 1.01 -1.26 -0.63 116.67 124.83 2ptt s ASP 104 Ca -0.15 2.91 -0.17 0.00 0.71 0.00 0.00 52.55 55.85 2ptt s ASP 104 Cb -0.16 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.08 2ptt s ASP 104 CO 0.04 -0.81 1.08 -2.16 0.21 0.00 0.00 175.17 173.54 2ptt s PRO 105 N -1.29 3.29 0.00 8.23 0.04 -1.26 -4.85 135.00 139.15 2ptt s PRO 105 Ca 0.56 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ptt s PRO 105 Cb -0.45 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2ptt s PRO 105 CO 0.54 -0.86 0.00 0.28 0.04 0.00 0.00 177.00 177.00