#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d1u n GLN 2 N 0.00 1.63 -3.71 0.00 -0.06 -1.26 -2.87 117.38 111.10 2d1u n GLN 2 Ca 0.00 0.59 -0.24 0.00 -2.00 0.00 0.00 57.00 55.35 2d1u n GLN 2 Cb 0.00 -2.34 -0.17 0.00 -4.06 0.00 0.00 30.24 23.67 2d1u n GLN 2 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2d1u s VAL 3 N 2.92 0.22 -0.17 1.69 1.01 0.80 -4.87 120.40 121.99 2d1u s VAL 3 Ca 0.92 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2d1u s VAL 3 Cb -0.88 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2d1u s VAL 3 CO 0.55 0.03 -0.18 0.21 0.00 0.00 0.00 175.10 175.71 2d1u s ASN 4 N 2.02 3.35 -0.02 3.32 3.84 -1.26 -2.79 114.94 123.40 2d1u s ASN 4 Ca 0.03 -0.58 0.07 0.00 0.21 0.00 0.00 52.86 52.58 2d1u s ASN 4 Cb -0.14 -1.52 -0.02 0.00 -0.55 0.00 0.00 41.25 39.03 2d1u s ASN 4 CO -0.06 0.02 -0.22 -0.63 -2.79 0.00 0.00 177.10 173.43 2d1u s ILE 5 N 1.16 1.70 -0.10 -5.21 1.01 -0.50 -4.89 121.20 114.37 2d1u s ILE 5 Ca 0.01 -0.93 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 2d1u s ILE 5 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2d1u s ILE 5 CO -0.08 0.47 0.67 0.00 0.00 0.00 0.00 174.94 176.01 2d1u s ALA 6 N -0.51 3.40 1.00 9.38 0.00 -1.26 -2.80 121.76 130.97 2d1u s ALA 6 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2d1u s ALA 6 Cb -0.08 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2d1u s ALA 6 CO -0.01 -0.20 0.00 -0.35 0.00 0.00 0.00 175.76 175.20 2d1u n PRO 7 N 4.07 0.12 0.00 0.00 -0.04 -1.26 -4.63 135.00 133.26 2d1u n PRO 7 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2d1u n PRO 7 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2d1u n PRO 7 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d1u n GLY 8 N 2.43 0.77 0.00 0.55 0.00 -1.25 -4.97 105.19 102.72 2d1u n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2d1u n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d1u n SER 9 N 0.00 0.00 -0.10 1.61 7.64 -1.26 -4.80 113.62 116.71 2d1u n SER 9 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2d1u n SER 9 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2d1u n SER 9 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2d1u h LEU 10 N 0.00 0.45 -0.76 -3.43 6.46 -1.86 -0.82 115.31 115.34 2d1u h LEU 10 Ca 0.00 -0.24 0.06 0.00 -0.12 0.00 0.00 57.88 57.59 2d1u h LEU 10 Cb 0.00 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 2d1u h LEU 10 CO 0.00 0.57 0.45 -0.78 -0.62 0.00 0.00 178.44 178.06 2d1u h ASP 11 N 0.31 0.68 0.44 1.25 1.82 -1.96 0.12 116.42 119.07 2d1u h ASP 11 Ca 0.09 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2d1u h ASP 11 Cb 0.30 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2d1u h ASP 11 CO 0.00 0.43 -0.21 0.11 -1.61 0.00 0.00 179.24 177.96 2d1u h LYS 12 N 0.81 -0.56 -0.83 0.28 1.57 -1.93 -2.43 116.57 113.49 2d1u h LYS 12 Ca 0.34 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 59.37 2d1u h LYS 12 Cb 0.20 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 2d1u h LYS 12 CO -0.19 -0.26 0.57 0.00 -0.57 0.00 0.00 179.45 179.01 2d1u h ALA 13 N -0.64 2.48 0.23 3.86 0.00 -0.99 0.61 119.26 124.81 2d1u h ALA 13 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2d1u h ALA 13 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2d1u h ALA 13 CO 0.10 -0.73 -0.11 1.25 0.00 0.00 0.00 179.25 179.76 2d1u h LEU 14 N 0.19 -0.26 -1.57 0.00 5.85 -0.88 -2.80 115.31 115.84 2d1u h LEU 14 Ca 0.41 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2d1u h LEU 14 Cb 1.32 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2d1u h LEU 14 CO -0.08 0.13 0.00 0.78 -0.34 0.00 0.00 178.44 178.93 2d1u h ASN 15 N -0.71 0.25 0.56 1.25 2.35 -0.79 0.27 115.58 118.75 2d1u h ASN 15 Ca -0.03 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2d1u h ASN 15 Cb 0.49 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2d1u h ASN 15 CO 0.05 0.30 -0.31 1.56 -1.65 0.00 0.00 177.43 177.38 2d1u h GLN 16 N 0.27 -0.78 -0.08 0.81 1.08 -0.87 0.17 115.11 115.71 2d1u h GLN 16 Ca 0.06 0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 57.10 2d1u h GLN 16 Cb 0.18 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2d1u h GLN 16 CO 0.00 -0.52 -0.81 0.10 -0.95 0.00 0.00 178.83 176.65 2d1u h TYR 17 N -0.81 0.80 -0.17 2.96 -0.00 -1.33 -2.88 116.97 115.53 2d1u h TYR 17 Ca -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 58.73 58.26 2d1u h TYR 17 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.25 2d1u h TYR 17 CO -0.07 1.18 0.00 0.00 -0.00 0.00 0.00 178.16 179.27 2d1u h ALA 18 N 0.72 1.70 0.00 0.10 0.00 -0.41 -1.51 119.26 119.85 2d1u h ALA 18 Ca -0.06 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 2d1u h ALA 18 Cb 1.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2d1u h ALA 18 CO 0.15 0.23 -0.78 0.00 0.00 0.00 0.00 179.25 178.86 2d1u h ALA 19 N 1.77 0.56 0.00 0.00 0.00 -0.60 -2.37 119.26 118.62 2d1u h ALA 19 Ca 0.06 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2d1u h ALA 19 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2d1u h ALA 19 CO 0.00 0.98 -0.51 1.12 0.00 0.00 0.00 179.25 180.83 2d1u h HIS 20 N 0.00 0.00 0.00 0.00 2.07 -1.13 -3.36 115.15 112.73 2d1u h HIS 20 Ca -0.01 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2d1u h HIS 20 Cb 1.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.50 2d1u h HIS 20 CO 0.00 0.51 -0.16 1.03 -3.07 0.00 0.00 177.93 176.25 2d1u h SER 21 N 0.00 0.00 0.00 3.10 0.87 -1.30 -3.50 113.55 112.72 2d1u h SER 21 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2d1u h SER 21 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2d1u h SER 21 CO 0.07 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.39 2d1u n GLY 22 N 1.76 1.72 3.64 5.77 0.00 -0.90 -5.06 105.19 112.14 2d1u n GLY 22 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2d1u n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d1u s PHE 23 N -1.89 2.53 0.13 1.61 -0.71 -1.24 -5.09 117.98 113.33 2d1u s PHE 23 Ca 0.00 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.30 2d1u s PHE 23 Cb 0.00 -1.78 -0.04 0.00 -1.21 0.00 0.00 43.02 39.99 2d1u s PHE 23 CO 0.00 0.40 0.12 0.99 -1.34 0.00 0.00 175.22 175.39 2d1u s THR 24 N -2.67 4.51 0.01 -4.49 2.01 -0.71 -4.78 115.64 109.53 2d1u s THR 24 Ca 0.36 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.40 2d1u s THR 24 Cb 0.08 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 2d1u s THR 24 CO 0.19 -0.03 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.86 2d1u s LEU 25 N -2.85 2.07 -0.29 4.42 2.96 -1.26 -1.55 118.68 122.17 2d1u s LEU 25 Ca 0.30 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2d1u s LEU 25 Cb -0.11 -0.02 0.09 0.00 0.50 0.00 0.00 46.19 46.66 2d1u s LEU 25 CO 0.23 -0.07 0.07 -0.44 -1.32 0.00 0.00 176.35 174.82 2d1u s SER 26 N -0.43 3.98 -0.01 3.68 0.01 0.12 -4.88 113.70 116.16 2d1u s SER 26 Ca -0.04 -1.56 0.03 0.00 1.31 0.00 0.00 55.95 55.69 2d1u s SER 26 Cb -0.03 -0.96 -0.00 0.00 0.21 0.00 0.00 66.02 65.24 2d1u s SER 26 CO -0.00 -0.38 -0.10 0.54 0.41 0.00 0.00 173.24 173.71 2d1u s VAL 27 N 1.54 0.79 -0.77 3.43 0.11 -1.26 -4.16 120.40 120.07 2d1u s VAL 27 Ca 0.07 -0.40 -0.26 0.00 -2.93 0.00 0.00 61.98 58.46 2d1u s VAL 27 Cb -0.18 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.99 2d1u s VAL 27 CO -0.19 0.23 1.76 -0.62 -3.33 0.00 0.00 175.10 172.95 2d1u s ASP 28 N -0.07 5.49 0.00 3.54 2.15 -1.26 -4.79 116.67 121.73 2d1u s ASP 28 Ca 0.01 -0.31 0.22 0.00 0.43 0.00 0.00 52.55 52.90 2d1u s ASP 28 Cb -0.06 -2.55 1.07 0.00 -0.30 0.00 0.00 42.92 41.08 2d1u s ASP 28 CO -0.00 -2.32 1.70 0.00 -0.17 0.00 0.00 175.17 174.37 2d1u n ALA 29 N 12.24 2.10 -0.20 3.66 0.00 -1.26 -3.45 120.51 133.60 2d1u n ALA 29 Ca 0.26 -0.10 0.22 0.00 0.00 0.00 0.00 53.44 53.82 2d1u n ALA 29 Cb 0.50 -1.35 0.59 0.00 0.00 0.00 0.00 19.45 19.19 2d1u n ALA 29 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2d1u h SER 30 N 0.00 0.25 0.34 0.00 4.64 -1.96 0.34 113.55 117.16 2d1u h SER 30 Ca 0.00 0.03 -0.33 0.00 -0.47 0.00 0.00 61.79 61.02 2d1u h SER 30 Cb 0.23 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2d1u h SER 30 CO 0.00 0.10 -1.53 -0.07 -0.87 0.00 0.00 176.83 174.47 2d1u h LEU 31 N 0.25 0.64 -1.25 5.97 4.07 -1.98 -3.30 115.31 119.71 2d1u h LEU 31 Ca 0.44 -0.78 -0.07 0.00 0.08 0.00 0.00 57.88 57.55 2d1u h LEU 31 Cb 1.31 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 2d1u h LEU 31 CO -0.11 1.63 -0.33 0.74 -1.08 0.00 0.00 178.44 179.29 2d1u h THR 32 N 0.11 0.98 -0.79 0.22 2.02 -1.21 -3.43 112.91 110.81 2d1u h THR 32 Ca -0.26 -1.25 -0.58 0.00 0.77 0.00 0.00 66.41 65.10 2d1u h THR 32 Cb 2.10 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 70.20 2d1u h THR 32 CO 0.22 0.32 1.56 0.54 0.37 0.00 0.00 175.52 178.54 2d1u n ARG 33 N -3.77 0.65 0.00 6.66 5.12 0.10 -2.03 116.66 123.39 2d1u n ARG 33 Ca -0.01 0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2d1u n ARG 33 Cb 0.42 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.40 2d1u n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d1u n GLY 34 N 6.50 3.40 3.65 -0.13 0.00 -1.26 -5.04 105.19 112.30 2d1u n GLY 34 Ca 0.49 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2d1u n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d1u s LYS 35 N 0.00 2.04 0.56 1.61 -2.85 -0.86 -5.17 119.74 115.06 2d1u s LYS 35 Ca 0.00 -2.25 0.08 0.00 -1.00 0.00 0.00 55.97 52.80 2d1u s LYS 35 Cb 0.00 -1.25 0.07 0.00 -2.06 0.00 0.00 37.83 34.58 2d1u s LYS 35 CO 0.00 -0.32 0.64 1.14 0.10 0.00 0.00 175.35 176.91 2d1u s GLN 36 N -3.81 2.31 0.01 1.78 -2.07 -1.26 -4.49 119.66 112.13 2d1u s GLN 36 Ca 0.18 -1.76 0.05 0.00 -1.82 0.00 0.00 55.36 52.01 2d1u s GLN 36 Cb 0.04 -2.46 -0.02 0.00 -1.09 0.00 0.00 33.01 29.49 2d1u s GLN 36 CO 0.10 -0.75 -0.14 0.45 -1.32 0.00 0.00 175.29 173.63 2d1u s SER 37 N -4.51 1.70 -0.10 12.60 0.15 -1.26 -4.78 113.70 117.50 2d1u s SER 37 Ca 0.52 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 2d1u s SER 37 Cb -0.05 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.06 2d1u s SER 37 CO 0.32 0.12 1.71 0.20 1.20 0.00 0.00 173.24 176.80 2d1u s ASN 38 N -0.66 6.51 0.48 5.45 0.01 -1.24 -3.80 114.94 121.69 2d1u s ASN 38 Ca 0.04 2.11 0.00 0.00 -0.71 0.00 0.00 52.86 54.30 2d1u s ASN 38 Cb -0.06 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2d1u s ASN 38 CO 0.00 -1.08 0.00 0.61 -1.51 0.00 0.00 177.10 175.12 2d1u n GLY 39 N 4.39 -3.20 3.68 0.66 0.00 -1.26 -4.36 105.19 105.10 2d1u n GLY 39 Ca 0.19 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2d1u n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d1u s LEU 40 N 0.00 3.31 -0.29 0.99 2.96 -1.12 -4.55 118.68 119.97 2d1u s LEU 40 Ca 0.00 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2d1u s LEU 40 Cb 0.00 -1.84 0.20 0.00 0.50 0.00 0.00 46.19 45.05 2d1u s LEU 40 CO 0.00 0.00 0.62 -2.28 -1.32 0.00 0.00 176.35 173.37 2d1u s HIS 41 N -2.25 -1.76 0.00 5.38 2.46 -1.12 -1.41 115.29 116.59 2d1u s HIS 41 Ca 0.31 1.10 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2d1u s HIS 41 Cb -0.07 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 2d1u s HIS 41 CO 0.21 -1.02 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 2d1u n GLY 42 N 5.40 1.15 3.61 1.59 0.00 -1.12 -4.97 105.19 110.85 2d1u n GLY 42 Ca 0.05 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 2d1u n GLY 42 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d1u s ASP 43 N 0.00 6.70 -0.10 1.61 -4.77 -1.26 -0.14 116.67 118.71 2d1u s ASP 43 Ca 0.00 0.61 -0.07 0.00 -3.30 0.00 0.00 52.55 49.78 2d1u s ASP 43 Cb 0.00 -2.49 0.03 0.00 -1.09 0.00 0.00 42.92 39.37 2d1u s ASP 43 CO 0.00 -0.95 0.25 -0.31 0.70 0.00 0.00 175.17 174.86 2d1u s TYR 44 N 3.72 -0.30 0.91 2.11 2.02 -1.14 -4.88 117.35 119.80 2d1u s TYR 44 Ca 0.41 0.72 -0.15 0.00 -0.37 0.00 0.00 57.07 57.68 2d1u s TYR 44 Cb -0.11 0.08 0.23 0.00 -0.40 0.00 0.00 41.96 41.76 2d1u s TYR 44 CO 0.21 -0.17 0.73 -0.25 -1.57 0.00 0.00 175.55 174.50 2d1u n ASP 45 N 3.41 -2.25 -0.07 2.29 8.00 -1.26 -4.30 116.55 122.37 2d1u n ASP 45 Ca -0.17 -0.87 -0.07 0.00 0.71 0.00 0.00 54.79 54.38 2d1u n ASP 45 Cb 0.56 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 40.95 2d1u n ASP 45 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2d1u h VAL 46 N -2.58 0.84 0.04 2.53 3.04 -1.97 0.33 116.25 118.48 2d1u h VAL 46 Ca -0.29 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.36 2d1u h VAL 46 Cb 0.90 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.89 2d1u h VAL 46 CO 0.18 0.02 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.42 2d1u h GLU 47 N 0.12 -0.05 -0.26 4.17 4.39 -1.98 -1.30 114.58 119.66 2d1u h GLU 47 Ca 0.13 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.89 2d1u h GLU 47 Cb 0.15 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 2d1u h GLU 47 CO -0.19 0.59 -0.18 0.77 -1.16 0.00 0.00 179.01 178.84 2d1u h SER 48 N -0.76 -0.58 -0.28 1.42 0.02 -1.88 -1.32 113.55 110.17 2d1u h SER 48 Ca -0.01 0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 2d1u h SER 48 Cb 0.66 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2d1u h SER 48 CO 0.01 -0.22 -0.24 1.23 -1.14 0.00 0.00 176.83 176.47 2d1u h GLY 49 N -0.16 0.83 0.51 -3.77 0.00 -0.44 -2.56 103.07 97.47 2d1u h GLY 49 Ca 0.14 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.78 2d1u h GLY 49 CO -0.36 0.65 -0.21 -2.00 0.00 0.00 0.00 176.54 174.62 2d1u h LEU 50 N 0.66 -0.63 -1.73 3.11 5.85 -0.47 0.55 115.31 122.65 2d1u h LEU 50 Ca 0.09 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2d1u h LEU 50 Cb 0.75 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2d1u h LEU 50 CO 0.06 -0.28 -0.16 1.56 -0.34 0.00 0.00 178.44 179.27 2d1u h GLN 51 N -0.35 0.00 0.00 1.25 1.08 -1.27 -2.07 115.11 113.76 2d1u h GLN 51 Ca 0.06 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.15 2d1u h GLN 51 Cb 0.42 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 2d1u h GLN 51 CO -0.19 0.16 -0.52 1.96 -0.95 0.00 0.00 178.83 179.29 2d1u h GLN 52 N 0.00 0.00 0.20 1.46 1.08 -0.78 0.08 115.11 117.15 2d1u h GLN 52 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2d1u h GLN 52 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2d1u h GLN 52 CO 0.02 0.52 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.26 2d1u h LEU 53 N 0.00 -0.23 -0.11 1.46 -0.00 -0.22 -3.24 115.31 112.97 2d1u h LEU 53 Ca -0.01 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2d1u h LEU 53 Cb 1.18 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 2d1u h LEU 53 CO 0.07 0.31 -0.04 0.00 -0.00 0.00 0.00 178.44 178.78 2d1u n LEU 54 N -4.96 0.21 -4.64 1.67 -0.00 -1.13 -3.63 117.00 104.53 2d1u n LEU 54 Ca -0.07 0.10 -0.55 0.00 -0.00 0.00 0.00 56.01 55.49 2d1u n LEU 54 Cb 0.25 -0.18 -0.07 0.00 -0.00 0.00 0.00 43.42 43.42 2d1u n LEU 54 CO 0.23 0.04 1.07 -0.67 -0.00 0.00 0.00 177.39 178.06 2d1u n ASP 55 N -1.06 1.86 0.00 1.45 2.03 0.01 -3.91 116.55 116.94 2d1u n ASP 55 Ca 0.17 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.58 2d1u n ASP 55 Cb 0.23 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2d1u n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d1u n GLY 56 N 3.21 0.43 0.00 0.27 0.00 -1.26 -4.75 105.19 103.09 2d1u n GLY 56 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2d1u n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d1u n SER 57 N 0.00 3.46 -1.15 1.61 3.41 -1.25 -5.13 113.62 114.57 2d1u n SER 57 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2d1u n SER 57 Cb 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2d1u n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d1u n GLY 58 N 2.89 -2.20 3.24 5.00 0.00 -1.26 -5.06 105.19 107.79 2d1u n GLY 58 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2d1u n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d1u s LEU 59 N 0.00 1.43 0.03 0.99 1.02 -1.26 -4.36 118.68 116.53 2d1u s LEU 59 Ca 0.00 -1.56 0.03 0.00 0.02 0.00 0.00 54.13 52.62 2d1u s LEU 59 Cb 0.00 0.46 -0.04 0.00 0.02 0.00 0.00 46.19 46.64 2d1u s LEU 59 CO 0.00 -0.94 -0.00 0.00 0.02 0.00 0.00 176.35 175.42 2d1u s GLN 60 N -3.83 2.69 -0.17 1.70 -2.07 -0.93 -4.93 119.66 112.13 2d1u s GLN 60 Ca 0.40 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.25 2d1u s GLN 60 Cb 0.05 -2.62 0.03 0.00 -1.09 0.00 0.00 33.01 29.38 2d1u s GLN 60 CO 0.19 0.59 -0.14 0.08 -1.32 0.00 0.00 175.29 174.70 2d1u s VAL 61 N -1.16 1.69 -0.02 3.63 1.01 -1.26 -1.17 120.40 123.12 2d1u s VAL 61 Ca 0.22 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2d1u s VAL 61 Cb -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2d1u s VAL 61 CO 0.13 0.39 -0.16 -1.59 0.00 0.00 0.00 175.10 173.86 2d1u s LYS 62 N 1.42 1.44 0.79 2.72 0.00 -0.94 -4.92 119.74 120.24 2d1u s LYS 62 Ca 0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 55.97 55.31 2d1u s LYS 62 Cb -0.14 -1.35 0.06 0.00 0.00 0.00 0.00 37.83 36.41 2d1u s LYS 62 CO -0.10 0.32 1.09 -1.25 0.00 0.00 0.00 175.35 175.40 2d1u s PRO 63 N -0.25 2.14 0.01 1.78 0.04 -1.26 -2.04 135.00 135.42 2d1u s PRO 63 Ca 0.03 1.13 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 2d1u s PRO 63 Cb -0.08 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2d1u s PRO 63 CO 0.00 -1.71 -0.07 1.28 0.04 0.00 0.00 177.00 176.54 2d1u n LEU 64 N -3.57 1.00 0.00 -3.56 4.77 0.17 -4.90 117.00 110.92 2d1u n LEU 64 Ca 0.09 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2d1u n LEU 64 Cb 0.53 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2d1u n LEU 64 CO 0.54 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 2d1u n GLY 65 N 2.95 1.78 0.00 -0.72 0.00 -1.26 -5.02 105.19 102.93 2d1u n GLY 65 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2d1u n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2d1u n ASN 66 N 0.00 0.00 -0.78 1.61 5.15 -1.26 -4.63 115.26 115.35 2d1u n ASN 66 Ca 0.00 0.31 0.06 0.00 -0.60 0.00 0.00 54.58 54.34 2d1u n ASN 66 Cb 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.38 2d1u n ASN 66 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2d1u n ASN 67 N -0.43 1.47 -4.58 1.20 2.85 -1.26 -5.03 115.26 109.48 2d1u n ASN 67 Ca 0.00 -3.13 -0.41 0.00 -0.11 0.00 0.00 54.58 50.93 2d1u n ASN 67 Cb 0.00 -0.43 -0.08 0.00 1.24 0.00 0.00 39.78 40.51 2d1u n ASN 67 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2d1u s SER 68 N -2.69 6.37 0.09 1.20 1.04 -1.25 -1.73 113.70 116.72 2d1u s SER 68 Ca 0.33 0.19 0.06 0.00 0.48 0.00 0.00 55.95 57.02 2d1u s SER 68 Cb 0.34 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.14 2d1u s SER 68 CO -0.08 -0.42 -0.09 0.26 0.98 0.00 0.00 173.24 173.88 2d1u s TRP 69 N 2.40 2.77 0.11 5.02 0.52 -0.59 0.43 118.94 129.60 2d1u s TRP 69 Ca 0.20 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.22 2d1u s TRP 69 Cb -0.15 -1.47 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 2d1u s TRP 69 CO 0.12 0.41 -0.10 -0.08 0.02 0.00 0.00 176.95 177.33 2d1u s THR 70 N -1.17 0.96 -0.04 2.01 -1.32 -0.87 0.11 115.64 115.32 2d1u s THR 70 Ca 0.21 -1.78 -0.03 0.00 -1.21 0.00 0.00 61.69 58.87 2d1u s THR 70 Cb -0.11 -1.52 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 2d1u s THR 70 CO 0.13 -0.65 0.12 -0.76 -2.21 0.00 0.00 174.62 171.25 2d1u s LEU 71 N -2.70 4.16 0.05 9.08 2.01 -1.26 -2.21 118.68 127.81 2d1u s LEU 71 Ca 0.09 0.30 -0.00 0.00 0.01 0.00 0.00 54.13 54.53 2d1u s LEU 71 Cb -0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 46.19 43.87 2d1u s LEU 71 CO -0.01 0.32 -0.04 -1.61 1.01 0.00 0.00 176.35 176.02 2d1u s GLU 72 N -1.54 0.57 -0.04 1.70 0.41 -0.32 -4.91 118.70 114.58 2d1u s GLU 72 Ca 0.21 -1.09 -0.30 0.00 -0.41 0.00 0.00 54.97 53.39 2d1u s GLU 72 Cb -0.12 0.12 -0.05 0.00 -1.78 0.00 0.00 34.13 32.30 2d1u s GLU 72 CO 0.12 -0.08 1.48 -1.25 -0.49 0.00 0.00 175.26 175.03 2d1u s PRO 73 N -3.31 4.24 0.25 0.39 0.04 -1.26 -2.19 135.00 133.16 2d1u s PRO 73 Ca 0.02 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2d1u s PRO 73 Cb 0.03 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 2d1u s PRO 73 CO -0.07 -0.69 0.35 0.00 0.04 0.00 0.00 177.00 176.63 2d1u s ALA 74 N 3.08 3.92 0.90 8.56 0.00 -1.26 -4.86 121.76 132.10 2d1u s ALA 74 Ca 0.66 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 2d1u s ALA 74 Cb -0.31 -1.67 0.13 0.00 0.00 0.00 0.00 23.12 21.27 2d1u s ALA 74 CO 0.26 0.21 1.09 -1.25 0.00 0.00 0.00 175.76 176.07 2d1u s PRO 75 N -3.99 1.26 0.95 0.00 0.04 -1.26 -4.99 135.00 127.01 2d1u s PRO 75 Ca 0.35 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.10 2d1u s PRO 75 Cb -0.09 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.71 2d1u s PRO 75 CO 0.29 -2.24 0.56 0.00 0.04 0.00 0.00 177.00 175.64 2d1u n ALA 76 N -3.88 -2.27 -1.18 8.56 0.00 -1.26 -4.97 120.51 115.50 2d1u n ALA 76 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 2d1u n ALA 76 Cb 0.55 -1.88 0.16 0.00 0.00 0.00 0.00 19.45 18.29 2d1u n ALA 76 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2d1u s PRO 77 N -3.85 0.70 -1.75 0.00 0.04 -1.26 -3.65 135.00 125.23 2d1u s PRO 77 Ca 0.59 0.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 2d1u s PRO 77 Cb -0.21 -1.76 0.22 0.00 0.04 0.00 0.00 34.50 32.79 2d1u s PRO 77 CO 0.65 -2.57 0.55 0.36 0.04 0.00 0.00 177.00 176.03 2d1u n LYS 78 N -4.08 -0.75 -3.39 4.56 0.00 -1.26 -4.84 118.16 108.40 2d1u n LYS 78 Ca 0.06 0.13 -0.26 0.00 -0.00 0.00 0.00 58.31 58.24 2d1u n LYS 78 Cb 0.57 -4.41 -0.09 0.00 -0.00 0.00 0.00 35.03 31.09 2d1u n LYS 78 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2d1u n GLU 79 N -3.81 0.77 -3.62 -1.58 4.07 -1.24 -5.09 120.64 110.14 2d1u n GLU 79 Ca 0.11 -3.48 -0.04 0.00 -0.06 0.00 0.00 57.16 53.69 2d1u n GLU 79 Cb 0.42 -1.64 -0.02 0.00 -0.06 0.00 0.00 31.44 30.14 2d1u n GLU 79 CO 0.00 0.00 0.00 0.16 -0.06 0.00 0.00 177.13 177.23 2d1u s ASP 80 N -0.77 -0.10 0.22 4.31 1.47 -1.26 -4.85 116.67 115.69 2d1u s ASP 80 Ca 0.33 0.02 -0.08 0.00 1.18 0.00 0.00 52.55 54.01 2d1u s ASP 80 Cb 0.08 0.10 0.35 0.00 -0.34 0.00 0.00 42.92 43.11 2d1u s ASP 80 CO -0.15 -0.15 1.72 0.00 0.68 0.00 0.00 175.17 177.27 2d1u h ALA 81 N 2.03 0.85 -1.71 2.11 0.00 -2.04 -3.42 119.26 117.08 2d1u h ALA 81 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2d1u h ALA 81 Cb 1.16 0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.85 2d1u h ALA 81 CO 0.22 -0.26 0.13 -1.17 0.00 0.00 0.00 179.25 178.17 2d1u s LEU 82 N -10.48 -0.80 0.24 0.00 0.20 -1.26 -5.18 118.68 101.40 2d1u s LEU 82 Ca -0.13 1.21 0.05 0.00 0.69 0.00 0.00 54.13 55.95 2d1u s LEU 82 Cb 0.19 2.07 -0.05 0.00 -0.43 0.00 0.00 46.19 47.96 2d1u s LEU 82 CO 0.75 -0.18 -0.05 0.28 -0.29 0.00 0.00 176.35 176.86 2d1u s THR 83 N 1.94 1.34 -0.76 3.68 -1.32 -1.26 -5.10 115.64 114.16 2d1u s THR 83 Ca -0.08 -2.09 -0.14 0.00 -1.21 0.00 0.00 61.69 58.18 2d1u s THR 83 Cb -0.06 -2.31 0.20 0.00 -1.51 0.00 0.00 72.50 68.81 2d1u s THR 83 CO -0.18 -0.38 0.69 -0.69 -2.21 0.00 0.00 174.62 171.85 2d1u s VAL 84 N -3.22 5.43 0.43 5.08 1.01 -1.26 -5.05 120.40 122.82 2d1u s VAL 84 Ca 0.27 -2.29 -0.23 0.00 0.00 0.00 0.00 61.98 59.73 2d1u s VAL 84 Cb 0.04 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 31.95 2d1u s VAL 84 CO 0.09 -0.99 1.09 -0.69 0.00 0.00 0.00 175.10 174.60 2d1u s VAL 85 N 0.46 3.50 0.00 2.92 1.01 -1.26 -4.98 120.40 122.05 2d1u s VAL 85 Ca 0.15 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2d1u s VAL 85 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2d1u s VAL 85 CO -0.06 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.63 2d1u n GLY 86 N 0.32 2.94 3.58 4.51 0.00 -1.26 -5.19 105.19 110.09 2d1u n GLY 86 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2d1u n GLY 86 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2d1u s ASP 87 N 0.00 -0.17 -0.24 1.61 -4.77 -1.26 -5.19 116.67 106.64 2d1u s ASP 87 Ca 0.00 0.01 -0.29 0.00 -3.30 0.00 0.00 52.55 48.97 2d1u s ASP 87 Cb 0.00 0.18 0.17 0.00 -1.09 0.00 0.00 42.92 42.18 2d1u s ASP 87 CO 0.00 -0.29 1.23 0.86 0.70 0.00 0.00 175.17 177.67 2d1u s TRP 88 N -2.46 -0.17 0.00 2.11 -0.11 -1.26 -5.11 118.94 111.94 2d1u s TRP 88 Ca 0.08 0.31 0.00 0.00 1.22 0.00 0.00 56.10 57.72 2d1u s TRP 88 Cb -0.01 0.47 0.00 0.00 -1.50 0.00 0.00 33.47 32.43 2d1u s TRP 88 CO -0.05 -0.15 0.00 -0.11 -4.62 0.00 0.00 176.95 172.02 2d1u n LEU 89 N 0.77 0.00 0.00 5.86 7.94 -1.26 -5.10 117.00 125.21 2d1u n LEU 89 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2d1u n LEU 89 Cb 0.58 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.25 2d1u n LEU 89 CO 0.09 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 2d1u n GLY 90 N 2.05 1.47 3.36 -3.96 0.00 -1.26 -4.98 105.19 101.87 2d1u n GLY 90 Ca 0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 2d1u n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d1u n ASP 91 N 0.00 -2.50 -3.97 1.61 8.00 -1.26 -5.00 116.55 113.42 2d1u n ASP 91 Ca 0.00 -0.62 -0.31 0.00 0.71 0.00 0.00 54.79 54.58 2d1u n ASP 91 Cb 0.00 -5.04 -0.16 0.00 -0.02 0.00 0.00 41.12 35.91 2d1u n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d1u s ALA 92 N -3.35 2.08 0.43 2.24 0.00 -1.26 -5.12 121.76 116.78 2d1u s ALA 92 Ca 0.05 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.64 2d1u s ALA 92 Cb -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2d1u s ALA 92 CO 0.71 -1.11 0.08 1.03 0.00 0.00 0.00 175.76 176.48 2d1u s ARG 93 N 1.34 2.00 -0.06 0.00 0.52 -1.26 -5.17 118.95 116.32 2d1u s ARG 93 Ca -0.05 -2.23 -0.30 0.00 -0.52 0.00 0.00 55.73 52.63 2d1u s ARG 93 Cb -0.18 -0.94 0.11 0.00 0.52 0.00 0.00 34.95 34.46 2d1u s ARG 93 CO -0.06 -0.41 0.96 -2.00 0.02 0.00 0.00 175.30 173.80 2d1u s GLU 94 N -3.77 0.70 0.24 3.54 2.12 -1.26 -5.19 118.70 115.08 2d1u s GLU 94 Ca 0.19 -0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.11 2d1u s GLU 94 Cb 0.03 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.77 2d1u s GLU 94 CO 0.11 -0.30 0.63 1.21 -0.54 0.00 0.00 175.26 176.37 2d1u s ASN 95 N -2.27 -0.27 0.36 -1.70 2.47 -1.26 -5.19 114.94 107.07 2d1u s ASN 95 Ca 0.05 -0.55 0.05 0.00 0.42 0.00 0.00 52.86 52.82 2d1u s ASN 95 Cb -0.01 0.66 -0.02 0.00 -1.45 0.00 0.00 41.25 40.43 2d1u s ASN 95 CO -0.07 -1.21 0.17 0.47 -3.72 0.00 0.00 177.10 172.74 2d1u n ASP 96 N -0.41 0.66 -4.67 -4.21 8.00 -1.26 -5.17 116.55 109.49 2d1u n ASP 96 Ca -0.06 -3.01 -0.26 0.00 0.71 0.00 0.00 54.79 52.16 2d1u n ASP 96 Cb 0.61 1.13 -0.07 0.00 -0.02 0.00 0.00 41.12 42.76 2d1u n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2d1u s LEU 97 N 0.00 3.34 -0.14 0.64 1.02 -1.26 -5.12 118.68 117.16 2d1u s LEU 97 Ca 0.24 -0.40 -0.04 0.00 0.02 0.00 0.00 54.13 53.95 2d1u s LEU 97 Cb 0.01 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 2d1u s LEU 97 CO 0.17 0.08 -0.01 -0.70 0.02 0.00 0.00 176.35 175.90 2d1u s GLU 98 N -3.05 3.53 -0.06 1.70 2.56 -1.26 -5.10 118.70 117.02 2d1u s GLU 98 Ca 0.28 -0.46 0.02 0.00 0.00 0.00 0.00 54.97 54.81 2d1u s GLU 98 Cb -0.09 -2.93 0.02 0.00 2.00 0.00 0.00 34.13 33.13 2d1u s GLU 98 CO 0.19 0.37 -0.10 -1.58 -0.56 0.00 0.00 175.26 173.58 2d1u s HIS 99 N 0.03 1.27 -0.30 5.30 5.65 -1.26 -5.12 115.29 120.86 2d1u s HIS 99 Ca 0.02 -0.45 -0.15 0.00 0.25 0.00 0.00 55.06 54.73 2d1u s HIS 99 Cb -0.13 -0.96 0.15 0.00 -1.18 0.00 0.00 32.58 30.46 2d1u s HIS 99 CO 0.02 -0.25 0.92 -1.58 -0.65 0.00 0.00 174.74 173.19 2d1u s HIS 100 N 0.73 -0.77 1.22 3.88 5.04 -1.26 -5.17 115.29 118.96 2d1u s HIS 100 Ca -0.14 1.40 -0.16 0.00 -1.54 0.00 0.00 55.06 54.63 2d1u s HIS 100 Cb -0.15 0.46 0.29 0.00 0.04 0.00 0.00 32.58 33.22 2d1u s HIS 100 CO 0.03 -0.38 1.02 -1.01 -2.34 0.00 0.00 174.74 172.05 2d1u s HIS 101 N 2.15 0.89 -0.01 3.88 3.76 -1.26 -4.99 115.29 119.71 2d1u s HIS 101 Ca -0.05 0.90 -0.19 0.00 -0.15 0.00 0.00 55.06 55.56 2d1u s HIS 101 Cb -0.06 -3.11 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 2d1u s HIS 101 CO -0.17 -4.03 0.56 -3.38 -0.85 0.00 0.00 174.74 166.86 2d1u s HIS 102 N -2.56 3.69 -0.09 1.40 -3.43 -1.26 -5.07 115.29 107.96 2d1u s HIS 102 Ca 0.68 1.15 -0.16 0.00 -0.80 0.00 0.00 55.06 55.94 2d1u s HIS 102 Cb -0.19 -2.55 0.04 0.00 -1.43 0.00 0.00 32.58 28.44 2d1u s HIS 102 CO 0.61 0.39 0.40 -3.38 -2.00 0.00 0.00 174.74 170.76 2d1u s HIS 103 N -0.32 -0.37 -1.98 0.38 -3.43 -1.26 -5.37 115.29 102.94 2d1u s HIS 103 Ca 0.29 0.80 0.00 0.00 -0.80 0.00 0.00 55.06 55.36 2d1u s HIS 103 Cb -0.18 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.13 2d1u s HIS 103 CO 0.16 -0.31 0.49 0.72 -2.00 0.00 0.00 174.74 173.80