#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 n ARG 3 N 0.00 0.00 -1.69 -0.14 0.00 -1.26 -4.84 116.66 108.73 3df3 n ARG 3 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 3df3 n ARG 3 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 32.46 32.40 3df3 n ARG 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3df3 n ARG 4 N 0.00 2.47 -2.11 -0.14 1.74 -1.26 -4.94 116.66 112.42 3df3 n ARG 4 Ca 0.00 0.89 -0.36 0.00 -0.77 0.00 0.00 57.85 57.62 3df3 n ARG 4 Cb 0.00 -2.71 0.02 0.00 -1.02 0.00 0.00 32.46 28.75 3df3 n ARG 4 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3df3 s VAL 5 N 1.43 2.86 0.15 1.55 1.01 -1.26 -5.04 120.40 121.10 3df3 s VAL 5 Ca 0.79 0.53 0.05 0.00 0.00 0.00 0.00 61.98 63.34 3df3 s VAL 5 Cb -0.59 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3df3 s VAL 5 CO 0.36 -0.12 0.12 -0.51 0.00 0.00 0.00 175.10 174.96 3df3 s ILE 6 N -1.68 4.46 0.00 2.22 1.10 -1.26 -5.12 121.20 120.92 3df3 s ILE 6 Ca 0.75 -1.03 0.00 0.00 -0.51 0.00 0.00 60.65 59.86 3df3 s ILE 6 Cb -0.28 -3.25 0.00 0.00 0.15 0.00 0.00 42.46 39.08 3df3 s ILE 6 CO 0.31 -0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.68 3df3 n GLY 7 N -0.18 1.28 0.61 1.50 0.00 -1.26 -5.16 105.19 101.98 3df3 n GLY 7 Ca -0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 3df3 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df3 n GLN 8 N 0.00 1.67 -3.40 1.61 3.00 -1.26 -5.14 117.38 113.87 3df3 n GLN 8 Ca 0.00 -0.60 -0.16 0.00 -0.01 0.00 0.00 57.00 56.22 3df3 n GLN 8 Cb 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 30.24 30.28 3df3 n GLN 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3df3 s ARG 9 N -2.32 0.32 0.48 -1.09 3.52 -1.26 -5.14 118.95 113.45 3df3 s ARG 9 Ca 0.01 -0.10 -0.24 0.00 -0.13 0.00 0.00 55.73 55.28 3df3 s ARG 9 Cb -0.00 -0.65 -0.07 0.00 -1.56 0.00 0.00 34.95 32.67 3df3 s ARG 9 CO 0.01 -1.01 1.32 0.21 -0.81 0.00 0.00 175.30 175.02 3df3 s LYS 10 N 2.38 3.57 0.28 5.12 2.20 -1.26 -5.04 119.74 126.99 3df3 s LYS 10 Ca 0.09 2.16 0.10 0.00 -0.36 0.00 0.00 55.97 57.96 3df3 s LYS 10 Cb -0.14 -2.49 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 3df3 s LYS 10 CO -0.32 -0.82 -0.16 0.42 -0.36 0.00 0.00 175.35 174.12 3df3 s ILE 11 N -1.32 2.26 -0.22 5.43 1.09 -1.26 -5.08 121.20 122.10 3df3 s ILE 11 Ca 0.64 -2.31 -0.29 0.00 -1.10 0.00 0.00 60.65 57.59 3df3 s ILE 11 Cb -0.38 -2.36 -0.04 0.00 -1.06 0.00 0.00 42.46 38.62 3df3 s ILE 11 CO 0.47 -0.37 1.97 -0.22 -0.10 0.00 0.00 174.94 176.69 3df3 s LEU 12 N -3.50 3.65 -0.32 2.97 1.98 -1.26 -4.87 118.68 117.33 3df3 s LEU 12 Ca 0.29 1.77 -0.30 0.00 -2.89 0.00 0.00 54.13 53.01 3df3 s LEU 12 Cb -0.02 -3.52 -0.08 0.00 0.66 0.00 0.00 46.19 43.23 3df3 s LEU 12 CO 0.14 -1.66 2.25 -0.81 -1.89 0.00 0.00 176.35 174.38 3df3 n PRO 13 N 8.34 1.49 0.00 0.98 -0.04 -1.26 -4.40 135.00 140.10 3df3 n PRO 13 Ca 0.25 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3df3 n PRO 13 Cb 0.45 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 3df3 n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3df3 n ASP 14 N 11.61 0.00 -0.41 3.54 -0.08 -0.66 -3.21 116.55 127.35 3df3 n ASP 14 Ca 0.36 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 3df3 n ASP 14 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3df3 n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3df3 n PRO 15 N 1.34 0.18 0.00 -0.67 -0.04 -1.26 0.60 135.00 135.14 3df3 n PRO 15 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3df3 n PRO 15 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3df3 n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3df3 n LYS 16 N 0.24 0.39 0.00 0.54 4.81 -1.26 -4.92 118.16 117.96 3df3 n LYS 16 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3df3 n LYS 16 Cb 0.04 -0.03 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3df3 n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3df3 n PHE 17 N 0.00 0.00 -2.06 5.64 3.01 -0.98 -5.02 117.46 118.05 3df3 n PHE 17 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 3df3 n PHE 17 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3df3 n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3df3 n GLY 18 N 0.13 0.53 3.29 1.37 0.00 0.20 -4.89 105.19 105.83 3df3 n GLY 18 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3df3 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3df3 s SER 19 N -2.37 5.49 0.24 1.61 1.04 -1.24 -4.50 113.70 113.96 3df3 s SER 19 Ca 0.00 -1.20 -0.05 0.00 0.48 0.00 0.00 55.95 55.18 3df3 s SER 19 Cb 0.00 -1.93 0.44 0.00 0.10 0.00 0.00 66.02 64.63 3df3 s SER 19 CO 0.00 -0.39 1.71 -0.33 0.98 0.00 0.00 173.24 175.21 3df3 h GLU 20 N 8.31 0.35 0.41 4.02 5.08 -1.85 0.15 114.58 131.05 3df3 h GLU 20 Ca -0.23 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3df3 h GLU 20 Cb 1.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3df3 h GLU 20 CO 0.65 0.23 -0.42 1.37 -1.00 0.00 0.00 179.01 179.84 3df3 h LEU 21 N 0.36 -1.16 -2.17 1.33 -0.00 -1.95 -1.38 115.31 110.34 3df3 h LEU 21 Ca 0.40 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 58.37 3df3 h LEU 21 Cb 0.63 0.39 -0.00 0.00 -0.00 0.00 0.00 40.66 41.68 3df3 h LEU 21 CO -0.44 -0.57 -0.03 0.25 -0.00 0.00 0.00 178.44 177.65 3df3 h LEU 22 N -0.85 0.00 0.91 0.17 6.46 -1.86 -2.96 115.31 117.18 3df3 h LEU 22 Ca -0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 3df3 h LEU 22 Cb 0.76 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.70 3df3 h LEU 22 CO -0.07 0.03 -0.44 0.00 -0.62 0.00 0.00 178.44 177.33 3df3 h ALA 23 N 1.97 -1.33 -0.76 1.25 0.00 0.34 -2.78 119.26 117.95 3df3 h ALA 23 Ca -0.00 -0.27 0.19 0.00 0.00 0.00 0.00 54.91 54.84 3df3 h ALA 23 Cb 0.06 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3df3 h ALA 23 CO 0.00 -1.24 0.53 -0.22 0.00 0.00 0.00 179.25 178.32 3df3 h LYS 24 N -1.23 0.18 -0.90 0.00 3.64 -1.23 0.36 116.57 117.38 3df3 h LYS 24 Ca -0.12 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.44 3df3 h LYS 24 Cb 0.94 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.65 3df3 h LYS 24 CO 0.20 0.12 0.59 0.35 -2.27 0.00 0.00 179.45 178.44 3df3 h PHE 25 N 0.18 0.61 -0.01 1.91 3.57 -1.42 0.60 116.94 122.38 3df3 h PHE 25 Ca 0.38 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.73 3df3 h PHE 25 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 3df3 h PHE 25 CO -0.00 0.17 -0.73 -0.39 -2.23 0.00 0.00 178.31 175.13 3df3 h VAL 26 N 0.47 1.49 -0.54 1.41 -1.51 -0.28 -3.12 116.25 114.17 3df3 h VAL 26 Ca 0.47 -2.40 -0.11 0.00 -1.23 0.00 0.00 66.70 63.43 3df3 h VAL 26 Cb 1.08 2.30 -0.02 0.00 -2.13 0.00 0.00 31.29 32.52 3df3 h VAL 26 CO -0.19 0.69 -0.10 0.78 -1.23 0.00 0.00 177.57 177.52 3df3 h ASN 27 N 0.06 1.02 -0.24 4.19 2.35 0.25 0.31 115.58 123.51 3df3 h ASN 27 Ca -0.02 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3df3 h ASN 27 Cb 1.29 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 3df3 h ASN 27 CO 0.10 1.12 0.14 0.40 -1.65 0.00 0.00 177.43 177.55 3df3 h ILE 28 N 0.91 1.04 0.00 2.81 1.08 -1.06 -2.03 117.51 120.26 3df3 h ILE 28 Ca 0.14 -0.10 -0.08 0.00 -0.39 0.00 0.00 64.86 64.43 3df3 h ILE 28 Cb 0.66 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 3df3 h ILE 28 CO 0.05 0.05 -0.37 0.25 -0.69 0.00 0.00 178.15 177.45 3df3 h LEU 29 N 0.30 0.00 -9.18 1.44 6.46 -1.47 -3.44 115.31 109.42 3df3 h LEU 29 Ca 0.09 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 57.29 3df3 h LEU 29 Cb -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 3df3 h LEU 29 CO -0.03 0.37 1.28 -0.32 -0.62 0.00 0.00 178.44 179.11 3df3 s MET 30 N -3.35 3.78 0.08 1.25 1.75 0.11 -4.93 119.30 117.99 3df3 s MET 30 Ca 0.02 2.22 0.08 0.00 -1.25 0.00 0.00 55.69 56.76 3df3 s MET 30 Cb 0.09 -4.19 -0.03 0.00 2.84 0.00 0.00 34.83 33.54 3df3 s MET 30 CO 0.69 -1.35 -0.21 0.54 -0.65 0.00 0.00 175.02 174.04 3df3 s VAL 31 N 5.71 1.74 -1.45 10.11 0.11 -1.26 -4.77 120.40 130.59 3df3 s VAL 31 Ca 0.88 -1.44 -0.11 0.00 -2.93 0.00 0.00 61.98 58.38 3df3 s VAL 31 Cb -0.36 -1.55 0.05 0.00 -1.53 0.00 0.00 36.38 32.99 3df3 s VAL 31 CO 0.36 0.05 1.05 0.47 -3.33 0.00 0.00 175.10 173.70 3df3 n ASP 32 N 1.34 -5.61 0.00 3.54 10.43 -1.26 -1.56 116.55 123.43 3df3 n ASP 32 Ca -0.19 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.54 3df3 n ASP 32 Cb 0.53 -4.45 0.00 0.00 1.84 0.00 0.00 41.12 39.05 3df3 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3df3 n GLY 33 N -1.83 0.00 2.38 0.44 0.00 -1.26 -4.81 105.19 100.11 3df3 n GLY 33 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3df3 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df3 n LYS 34 N 0.78 3.89 0.16 1.61 5.02 -0.60 -4.64 118.16 124.37 3df3 n LYS 34 Ca 0.00 -2.54 0.16 0.00 -2.02 0.00 0.00 58.31 53.91 3df3 n LYS 34 Cb 0.41 -2.78 0.75 0.00 -0.02 0.00 0.00 35.03 33.39 3df3 n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3df3 h LYS 35 N 4.96 0.00 0.08 1.97 3.64 -1.87 0.97 116.57 126.31 3df3 h LYS 35 Ca 0.82 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.19 3df3 h LYS 35 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3df3 h LYS 35 CO 1.72 0.00 -0.04 0.66 -2.27 0.00 0.00 179.45 179.52 3df3 h SER 36 N 0.00 -0.09 -0.67 4.20 4.64 -1.98 -2.51 113.55 117.14 3df3 h SER 36 Ca 0.12 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.53 3df3 h SER 36 Cb 0.55 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.62 3df3 h SER 36 CO -0.00 0.32 0.45 0.74 -0.87 0.00 0.00 176.83 177.46 3df3 h THR 37 N -0.89 0.94 0.52 2.95 2.02 -1.92 -1.59 112.91 114.95 3df3 h THR 37 Ca -0.01 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3df3 h THR 37 Cb 0.09 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3df3 h THR 37 CO 0.02 0.10 -0.25 0.00 0.37 0.00 0.00 175.52 175.76 3df3 h ALA 38 N 1.65 -0.78 -0.44 6.16 0.00 -0.93 -3.18 119.26 121.74 3df3 h ALA 38 Ca 0.31 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3df3 h ALA 38 Cb 0.44 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3df3 h ALA 38 CO -0.10 -0.73 0.38 0.93 0.00 0.00 0.00 179.25 179.73 3df3 h GLU 39 N -1.05 0.00 0.00 0.00 5.08 -1.29 0.32 114.58 117.64 3df3 h GLU 39 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3df3 h GLU 39 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3df3 h GLU 39 CO 0.12 0.00 -0.09 0.77 -1.00 0.00 0.00 179.01 178.81 3df3 h SER 40 N 0.00 0.00 0.66 1.42 0.02 -1.27 -1.42 113.55 112.96 3df3 h SER 40 Ca 0.21 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 3df3 h SER 40 Cb 0.97 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3df3 h SER 40 CO -0.00 0.09 -1.46 -0.38 -1.14 0.00 0.00 176.83 173.93 3df3 n ILE 41 N -3.76 1.16 0.13 3.27 5.41 0.11 -3.55 119.36 122.13 3df3 n ILE 41 Ca -0.02 -0.69 -0.13 0.00 1.00 0.00 0.00 62.75 62.91 3df3 n ILE 41 Cb 0.19 -0.71 -0.08 0.00 -0.71 0.00 0.00 39.64 38.34 3df3 n ILE 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3df3 h VAL 42 N 0.00 0.77 -0.43 1.39 2.07 -0.86 -3.12 116.25 116.07 3df3 h VAL 42 Ca -0.17 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 3df3 h VAL 42 Cb 1.59 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3df3 h VAL 42 CO 0.04 0.14 0.07 1.88 0.02 0.00 0.00 177.57 179.73 3df3 h TYR 43 N -0.74 0.76 0.04 1.57 0.05 -1.56 -0.94 116.97 116.15 3df3 h TYR 43 Ca -0.04 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.66 3df3 h TYR 43 Cb 0.49 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 3df3 h TYR 43 CO 0.04 0.72 -0.48 0.66 -1.05 0.00 0.00 178.16 178.05 3df3 h SER 44 N 0.57 -1.47 0.37 3.88 4.64 -1.66 1.27 113.55 121.16 3df3 h SER 44 Ca 0.13 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.58 3df3 h SER 44 Cb 0.37 0.55 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3df3 h SER 44 CO 0.01 -0.48 -0.13 0.00 -0.87 0.00 0.00 176.83 175.35 3df3 h ALA 45 N -0.59 1.31 -0.01 5.18 0.00 -1.58 0.18 119.26 123.75 3df3 h ALA 45 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3df3 h ALA 45 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3df3 h ALA 45 CO -0.30 0.17 -0.05 1.25 0.00 0.00 0.00 179.25 180.32 3df3 h LEU 46 N 0.00 0.07 -0.56 0.00 5.85 0.40 -2.11 115.31 118.96 3df3 h LEU 46 Ca -0.00 -0.65 -0.15 0.00 0.84 0.00 0.00 57.88 57.92 3df3 h LEU 46 Cb 0.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3df3 h LEU 46 CO 0.02 0.70 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.96 3df3 h GLU 47 N -0.56 0.52 0.05 1.25 5.08 0.18 -1.98 114.58 119.12 3df3 h GLU 47 Ca -0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3df3 h GLU 47 Cb 0.70 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3df3 h GLU 47 CO 0.01 0.92 -0.03 1.15 -1.00 0.00 0.00 179.01 180.07 3df3 h THR 48 N 0.41 0.96 -0.38 1.13 2.02 -0.70 0.10 112.91 116.46 3df3 h THR 48 Ca 0.01 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 3df3 h THR 48 Cb 1.06 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3df3 h THR 48 CO 0.10 0.01 0.08 0.25 0.37 0.00 0.00 175.52 176.33 3df3 h LEU 49 N -0.09 0.51 -0.28 2.58 6.46 -1.35 0.13 115.31 123.27 3df3 h LEU 49 Ca -0.01 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 3df3 h LEU 49 Cb 0.07 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 3df3 h LEU 49 CO 0.01 0.52 0.06 0.00 -0.62 0.00 0.00 178.44 178.41 3df3 h ALA 50 N 1.55 0.37 -0.52 1.25 0.00 -0.82 0.50 119.26 121.59 3df3 h ALA 50 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3df3 h ALA 50 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3df3 h ALA 50 CO -0.00 0.05 -0.01 0.37 0.00 0.00 0.00 179.25 179.66 3df3 h GLN 51 N 0.29 0.90 -0.07 0.00 -0.00 -0.29 0.13 115.11 116.07 3df3 h GLN 51 Ca 0.09 -0.26 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 3df3 h GLN 51 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.71 3df3 h GLN 51 CO 0.00 0.90 -0.34 0.00 0.00 0.00 0.00 178.83 179.39 3df3 h ARG 52 N 0.83 0.35 0.00 1.69 3.08 -0.53 -3.08 114.38 116.72 3df3 h ARG 52 Ca 0.15 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3df3 h ARG 52 Cb 0.51 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3df3 h ARG 52 CO 0.03 0.93 0.00 0.66 -1.07 0.00 0.00 179.97 180.51 3df3 h SER 53 N -0.14 0.00 0.00 7.04 4.64 0.02 -3.47 113.55 121.65 3df3 h SER 53 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3df3 h SER 53 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3df3 h SER 53 CO 0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3df3 n GLY 54 N 0.49 2.60 3.90 -0.77 0.00 0.45 -5.01 105.19 106.85 3df3 n GLY 54 Ca 0.03 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 3df3 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df3 s LYS 55 N 0.00 3.08 0.95 1.61 -2.85 -1.12 -4.75 119.74 116.65 3df3 s LYS 55 Ca 0.00 0.32 -0.11 0.00 -1.00 0.00 0.00 55.97 55.18 3df3 s LYS 55 Cb 0.00 -2.16 0.10 0.00 -2.06 0.00 0.00 37.83 33.72 3df3 s LYS 55 CO 0.00 -0.75 0.80 0.45 0.10 0.00 0.00 175.35 175.95 3df3 n SER 56 N -2.74 -0.83 0.11 0.03 2.88 -1.26 -4.28 113.62 107.53 3df3 n SER 56 Ca 0.05 0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.86 3df3 n SER 56 Cb 0.57 -1.34 -0.05 0.00 -0.75 0.00 0.00 64.21 62.63 3df3 n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3df3 h GLU 57 N -1.79 -0.44 0.00 -1.46 3.07 -1.88 -2.13 114.58 109.95 3df3 h GLU 57 Ca -0.44 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 3df3 h GLU 57 Cb 1.28 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3df3 h GLU 57 CO 0.38 -0.29 0.27 1.37 -1.40 0.00 0.00 179.01 179.34 3df3 h LEU 58 N -0.46 0.00 0.01 1.33 -0.00 -1.92 0.12 115.31 114.39 3df3 h LEU 58 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3df3 h LEU 58 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3df3 h LEU 58 CO -0.08 0.00 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.03 3df3 h GLU 59 N 0.00 -0.01 0.00 0.17 5.08 -1.74 -3.06 114.58 115.01 3df3 h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3df3 h GLU 59 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3df3 h GLU 59 CO 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 179.01 178.05 3df3 h ALA 60 N -1.89 1.04 0.27 3.43 0.00 -1.21 -1.30 119.26 119.60 3df3 h ALA 60 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3df3 h ALA 60 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3df3 h ALA 60 CO 0.00 -0.04 -0.13 0.35 0.00 0.00 0.00 179.25 179.43 3df3 h PHE 61 N 0.00 -0.33 -0.80 0.00 3.57 -0.85 -0.48 116.94 118.05 3df3 h PHE 61 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3df3 h PHE 61 Cb 0.09 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3df3 h PHE 61 CO 0.00 -0.21 0.34 1.49 -2.23 0.00 0.00 178.31 177.70 3df3 h GLU 62 N -0.38 1.18 0.16 1.11 4.22 -1.36 -1.11 114.58 118.41 3df3 h GLU 62 Ca -0.04 -0.20 0.01 0.00 0.08 0.00 0.00 59.36 59.22 3df3 h GLU 62 Cb 0.28 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3df3 h GLU 62 CO 0.06 0.93 -0.45 0.28 -2.18 0.00 0.00 179.01 177.66 3df3 h VAL 63 N 1.15 0.12 0.00 0.32 2.07 -1.26 0.39 116.25 119.04 3df3 h VAL 63 Ca 0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.77 3df3 h VAL 63 Cb 0.18 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3df3 h VAL 63 CO -0.03 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.48 3df3 h ALA 64 N -0.31 1.26 -0.02 1.67 0.00 -0.96 -1.52 119.26 119.38 3df3 h ALA 64 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3df3 h ALA 64 Cb 0.72 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3df3 h ALA 64 CO -0.23 0.10 -0.72 -0.07 0.00 0.00 0.00 179.25 178.33 3df3 h LEU 65 N 0.00 0.15 -1.11 0.00 4.07 0.33 -3.17 115.31 115.58 3df3 h LEU 65 Ca -0.00 -0.10 0.19 0.00 0.08 0.00 0.00 57.88 58.05 3df3 h LEU 65 Cb 0.27 -0.05 -0.10 0.00 1.08 0.00 0.00 40.66 41.87 3df3 h LEU 65 CO 0.01 0.82 0.61 -0.33 -1.08 0.00 0.00 178.44 178.47 3df3 h GLU 66 N 0.08 0.68 -0.14 1.13 5.08 0.77 0.55 114.58 122.73 3df3 h GLU 66 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3df3 h GLU 66 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3df3 h GLU 66 CO 0.10 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.65 3df3 n ASN 67 N -4.71 0.86 0.00 1.42 3.02 -1.20 -3.25 115.26 111.40 3df3 n ASN 67 Ca 0.23 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 3df3 n ASN 67 Cb 0.60 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3df3 n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3df3 n VAL 68 N -0.08 0.36 -3.07 2.41 0.31 0.18 -3.76 118.33 114.68 3df3 n VAL 68 Ca 0.08 -0.47 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 3df3 n VAL 68 Cb 0.15 0.98 -0.06 0.00 -0.91 0.00 0.00 33.84 34.00 3df3 n VAL 68 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3df3 s ARG 69 N -0.36 3.56 -0.06 5.55 0.52 -0.64 -4.14 118.95 123.38 3df3 s ARG 69 Ca 0.00 -0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.88 3df3 s ARG 69 Cb 0.00 -3.86 -0.02 0.00 0.52 0.00 0.00 34.95 31.59 3df3 s ARG 69 CO 0.00 -0.86 1.04 -1.25 0.02 0.00 0.00 175.30 174.25 3df3 s PRO 70 N 2.86 4.45 0.00 3.54 0.04 -1.26 -4.94 135.00 139.69 3df3 s PRO 70 Ca 0.26 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 3df3 s PRO 70 Cb -0.14 -3.51 -0.28 0.00 0.04 0.00 0.00 34.50 30.61 3df3 s PRO 70 CO 0.17 -0.26 0.85 0.00 0.04 0.00 0.00 177.00 177.80 3df3 h THR 71 N 4.97 1.14 -4.06 1.26 1.03 -1.92 -3.43 112.91 111.90 3df3 h THR 71 Ca -0.35 -2.78 -0.11 0.00 -0.01 0.00 0.00 66.41 63.16 3df3 h THR 71 Cb 1.17 2.76 -0.14 0.00 -1.07 0.00 0.00 68.15 70.87 3df3 h THR 71 CO 0.83 0.82 -0.53 0.68 -0.01 0.00 0.00 175.52 177.31 3df3 s VAL 72 N -2.62 0.17 0.07 0.00 -7.23 -1.26 -1.38 120.40 108.15 3df3 s VAL 72 Ca -0.09 -1.54 -0.22 0.00 -1.81 0.00 0.00 61.98 58.32 3df3 s VAL 72 Cb 0.07 -1.51 0.05 0.00 0.56 0.00 0.00 36.38 35.55 3df3 s VAL 72 CO 0.85 -0.77 0.53 -1.83 -0.31 0.00 0.00 175.10 173.57 3df3 s GLU 73 N -3.91 1.08 0.39 4.82 -1.05 -0.97 -4.53 118.70 114.53 3df3 s GLU 73 Ca 0.08 -0.30 -0.08 0.00 -0.15 0.00 0.00 54.97 54.52 3df3 s GLU 73 Cb 0.06 0.49 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 3df3 s GLU 73 CO -0.09 -0.41 0.72 0.14 0.95 0.00 0.00 175.26 176.57 3df3 s VAL 74 N -2.76 4.87 0.00 1.83 -7.23 -1.26 -0.21 120.40 115.65 3df3 s VAL 74 Ca -0.04 0.38 0.02 0.00 -1.81 0.00 0.00 61.98 60.53 3df3 s VAL 74 Cb -0.00 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 3df3 s VAL 74 CO -0.04 -0.55 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.39 3df3 s LYS 75 N -3.98 0.50 0.10 4.82 2.36 -0.14 -4.89 119.74 118.52 3df3 s LYS 75 Ca 0.48 -0.31 -0.30 0.00 -2.55 0.00 0.00 55.97 53.30 3df3 s LYS 75 Cb -0.10 -0.46 -0.06 0.00 -1.05 0.00 0.00 37.83 36.16 3df3 s LYS 75 CO 0.34 0.12 1.06 0.45 1.55 0.00 0.00 175.35 178.87 3df3 s SER 76 N -0.38 7.31 -0.26 1.43 0.15 -1.26 -2.01 113.70 118.68 3df3 s SER 76 Ca 0.01 1.91 -0.04 0.00 0.70 0.00 0.00 55.95 58.53 3df3 s SER 76 Cb -0.04 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.78 3df3 s SER 76 CO -0.00 -0.24 0.13 -0.60 1.20 0.00 0.00 173.24 173.73 3df3 s ARG 77 N 0.29 0.17 -1.02 5.44 6.06 -0.87 -4.97 118.95 124.04 3df3 s ARG 77 Ca 0.51 -0.41 -0.20 0.00 -2.50 0.00 0.00 55.73 53.13 3df3 s ARG 77 Cb -0.26 -1.28 0.09 0.00 0.06 0.00 0.00 34.95 33.56 3df3 s ARG 77 CO 0.31 -0.94 1.34 0.50 -2.50 0.00 0.00 175.30 174.01 3df3 s ARG 78 N 2.12 3.66 -0.60 5.12 3.00 -1.26 -2.77 118.95 128.22 3df3 s ARG 78 Ca 0.08 -1.56 -0.02 0.00 -1.00 0.00 0.00 55.73 53.22 3df3 s ARG 78 Cb -0.16 -5.17 0.16 0.00 0.00 0.00 0.00 34.95 29.78 3df3 s ARG 78 CO -0.31 -2.00 0.41 0.08 0.00 0.00 0.00 175.30 173.49 3df3 s VAL 79 N 3.72 3.61 0.00 7.11 1.01 -1.12 -4.71 120.40 130.02 3df3 s VAL 79 Ca 0.41 -2.92 0.00 0.00 0.00 0.00 0.00 61.98 59.47 3df3 s VAL 79 Cb -0.02 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3df3 s VAL 79 CO -0.08 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.77 3df3 n GLY 80 N 3.53 0.53 4.35 4.51 0.00 -1.26 -3.86 105.19 113.00 3df3 n GLY 80 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3df3 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df3 n GLY 81 N -0.96 1.14 3.37 -0.02 0.00 -1.26 -4.90 105.19 102.56 3df3 n GLY 81 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3df3 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3df3 s SER 82 N -2.23 6.19 -1.37 1.61 1.04 -1.25 -4.98 113.70 112.70 3df3 s SER 82 Ca 0.00 -1.46 -0.14 0.00 0.48 0.00 0.00 55.95 54.83 3df3 s SER 82 Cb 0.00 -2.26 0.08 0.00 0.10 0.00 0.00 66.02 63.95 3df3 s SER 82 CO 0.00 -0.95 1.99 0.35 0.98 0.00 0.00 173.24 175.61 3df3 n THR 83 N 5.42 3.81 -2.32 2.02 -2.24 -1.26 -2.80 114.28 116.90 3df3 n THR 83 Ca -0.11 -3.67 -0.41 0.00 -2.27 0.00 0.00 64.05 57.59 3df3 n THR 83 Cb 0.42 -2.49 -0.03 0.00 -2.10 0.00 0.00 70.33 66.13 3df3 n THR 83 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3df3 s TYR 84 N 2.71 3.37 -1.28 4.78 4.12 -1.12 -4.76 117.35 125.17 3df3 s TYR 84 Ca 0.47 1.43 -0.05 0.00 0.02 0.00 0.00 57.07 58.94 3df3 s TYR 84 Cb 0.10 -3.47 0.15 0.00 -1.52 0.00 0.00 41.96 37.21 3df3 s TYR 84 CO -0.03 -1.31 2.24 1.04 0.02 0.00 0.00 175.55 177.51 3df3 n GLN 85 N 2.03 4.58 -1.59 -0.62 1.13 -1.26 -2.05 117.38 119.60 3df3 n GLN 85 Ca 0.03 -3.63 -0.48 0.00 -1.94 0.00 0.00 57.00 50.98 3df3 n GLN 85 Cb 0.44 -2.64 -0.05 0.00 0.11 0.00 0.00 30.24 28.09 3df3 n GLN 85 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3df3 n VAL 86 N 1.70 0.40 -2.01 5.09 0.31 -0.85 -4.28 118.33 118.69 3df3 n VAL 86 Ca 0.57 -0.24 -0.32 0.00 -0.01 0.00 0.00 64.34 64.34 3df3 n VAL 86 Cb 0.26 -1.95 0.01 0.00 -0.91 0.00 0.00 33.84 31.25 3df3 n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3df3 s PRO 87 N 5.30 3.39 -0.29 5.55 0.04 -1.26 -0.96 135.00 146.77 3df3 s PRO 87 Ca 1.00 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.95 3df3 s PRO 87 Cb -0.67 -2.05 0.14 0.00 0.04 0.00 0.00 34.50 31.96 3df3 s PRO 87 CO 0.47 -0.74 0.95 0.54 0.04 0.00 0.00 177.00 178.26 3df3 s VAL 88 N -2.66 0.00 0.60 -0.36 0.11 0.71 -3.49 120.40 115.31 3df3 s VAL 88 Ca 0.61 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.48 3df3 s VAL 88 Cb -0.14 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.65 3df3 s VAL 88 CO 0.40 0.00 0.77 -1.84 -3.33 0.00 0.00 175.10 171.10 3df3 n GLU 89 N 3.73 0.70 -3.97 1.54 -0.00 -1.26 -2.29 120.64 119.08 3df3 n GLU 89 Ca -0.19 0.27 -0.36 0.00 -0.00 0.00 0.00 57.16 56.88 3df3 n GLU 89 Cb 0.58 -1.96 -0.07 0.00 -0.00 0.00 0.00 31.44 29.98 3df3 n GLU 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3df3 s VAL 90 N -1.62 5.24 1.10 3.84 -7.23 -0.48 -4.80 120.40 116.46 3df3 s VAL 90 Ca 0.73 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.87 3df3 s VAL 90 Cb -0.42 -3.28 0.20 0.00 0.56 0.00 0.00 36.38 33.44 3df3 s VAL 90 CO 0.50 0.60 0.74 0.54 -0.31 0.00 0.00 175.10 177.17 3df3 n ARG 91 N 2.16 -1.77 0.12 4.82 3.00 -1.26 -4.68 116.66 119.04 3df3 n ARG 91 Ca -0.19 -0.48 -0.06 0.00 -0.01 0.00 0.00 57.85 57.11 3df3 n ARG 91 Cb 0.54 -2.06 -0.03 0.00 0.00 0.00 0.00 32.46 30.92 3df3 n ARG 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3df3 h PRO 92 N -2.32 -0.32 -1.29 5.56 0.13 -1.98 -1.63 132.00 130.14 3df3 h PRO 92 Ca -0.55 0.02 0.37 0.00 -0.87 0.00 0.00 66.00 64.97 3df3 h PRO 92 Cb 1.33 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.46 3df3 h PRO 92 CO 0.44 -0.21 0.90 -0.39 -0.23 0.00 0.00 178.00 178.51 3df3 h VAL 93 N -0.33 0.34 0.08 1.56 -1.51 -2.01 0.37 116.25 114.74 3df3 h VAL 93 Ca -0.03 -0.03 -0.26 0.00 -1.23 0.00 0.00 66.70 65.15 3df3 h VAL 93 Cb 0.27 0.24 0.01 0.00 -2.13 0.00 0.00 31.29 29.68 3df3 h VAL 93 CO 0.02 0.02 -1.12 -0.09 -1.23 0.00 0.00 177.57 175.17 3df3 h ARG 94 N 0.08 0.41 0.26 5.19 2.43 -1.89 -2.71 114.38 118.15 3df3 h ARG 94 Ca 0.66 -0.54 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3df3 h ARG 94 Cb 2.38 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 32.08 3df3 h ARG 94 CO -0.11 1.21 -0.36 -0.09 -1.51 0.00 0.00 179.97 179.10 3df3 h ARG 95 N 0.18 -0.66 -0.41 0.20 2.43 0.75 -0.73 114.38 116.15 3df3 h ARG 95 Ca -0.12 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 3df3 h ARG 95 Cb 1.79 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.48 3df3 h ARG 95 CO 0.19 -0.44 -0.27 -2.95 -1.51 0.00 0.00 179.97 174.99 3df3 h ASN 96 N -0.68 0.90 -0.04 -3.80 7.08 -1.64 -2.96 115.58 114.44 3df3 h ASN 96 Ca -0.00 -0.36 0.04 0.00 -3.08 0.00 0.00 56.30 52.90 3df3 h ASN 96 Cb 0.65 -0.25 -0.05 0.00 -2.08 0.00 0.00 38.32 36.59 3df3 h ASN 96 CO -0.13 1.11 -0.29 0.00 -2.08 0.00 0.00 177.43 176.04 3df3 h ALA 97 N 0.94 -0.39 -0.65 4.14 0.00 -1.22 -1.66 119.26 120.42 3df3 h ALA 97 Ca 0.09 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3df3 h ALA 97 Cb 0.83 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3df3 h ALA 97 CO 0.07 -0.79 0.33 -0.07 0.00 0.00 0.00 179.25 178.79 3df3 h LEU 98 N -0.42 0.45 0.21 0.00 3.38 -1.14 -2.57 115.31 115.22 3df3 h LEU 98 Ca 0.07 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3df3 h LEU 98 Cb 0.52 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3df3 h LEU 98 CO -0.27 0.28 -0.46 0.00 0.09 0.00 0.00 178.44 178.07 3df3 h ALA 99 N 1.37 -0.89 -0.76 1.53 0.00 -1.20 -0.95 119.26 118.36 3df3 h ALA 99 Ca 0.31 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.26 3df3 h ALA 99 Cb 0.26 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3df3 h ALA 99 CO -0.22 -1.06 0.29 0.52 0.00 0.00 0.00 179.25 178.78 3df3 h MET 100 N -0.76 0.41 -0.15 0.00 2.86 -1.10 -0.24 114.93 115.95 3df3 h MET 100 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3df3 h MET 100 Cb 0.74 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 3df3 h MET 100 CO -0.21 0.27 0.10 -0.09 1.06 0.00 0.00 176.91 178.04 3df3 h ARG 101 N 0.42 0.20 0.08 1.72 2.43 -1.04 -2.32 114.38 115.87 3df3 h ARG 101 Ca 0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3df3 h ARG 101 Cb 0.66 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3df3 h ARG 101 CO -0.42 0.13 -0.08 -1.49 -1.51 0.00 0.00 179.97 176.60 3df3 h TRP 102 N 0.20 -0.19 -0.34 2.20 6.55 -0.10 -0.92 115.95 123.35 3df3 h TRP 102 Ca 0.05 0.00 0.06 0.00 0.95 0.00 0.00 58.89 59.96 3df3 h TRP 102 Cb -0.02 0.07 -0.08 0.00 -0.86 0.00 0.00 29.16 28.27 3df3 h TRP 102 CO -0.07 -0.12 -0.41 0.82 -1.05 0.00 0.00 178.44 177.61 3df3 h ILE 103 N -0.17 0.14 0.52 1.49 2.04 -0.94 0.11 117.51 120.70 3df3 h ILE 103 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3df3 h ILE 103 Cb 0.16 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3df3 h ILE 103 CO -0.02 0.00 -0.28 0.58 0.00 0.00 0.00 178.15 178.44 3df3 h VAL 104 N -0.36 0.44 -0.58 1.67 2.07 -1.33 0.13 116.25 118.30 3df3 h VAL 104 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3df3 h VAL 104 Cb 0.59 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.68 3df3 h VAL 104 CO -0.53 0.00 -0.33 -0.08 0.02 0.00 0.00 177.57 176.66 3df3 h GLU 105 N -0.74 -0.16 -0.28 1.57 4.57 -0.74 0.47 114.58 119.27 3df3 h GLU 105 Ca -0.07 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3df3 h GLU 105 Cb 0.58 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 3df3 h GLU 105 CO 0.10 -0.11 -0.17 0.00 -1.18 0.00 0.00 179.01 177.65 3df3 h ALA 106 N 1.00 1.17 -0.24 2.92 0.00 -0.68 -3.08 119.26 120.35 3df3 h ALA 106 Ca 0.23 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3df3 h ALA 106 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3df3 h ALA 106 CO -0.67 0.53 -0.16 0.00 0.00 0.00 0.00 179.25 178.95 3df3 h ALA 107 N 1.36 0.34 -0.77 0.00 0.00 0.14 -2.14 119.26 118.19 3df3 h ALA 107 Ca 0.08 -0.33 0.22 0.00 0.00 0.00 0.00 54.91 54.88 3df3 h ALA 107 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3df3 h ALA 107 CO 0.04 0.24 0.55 0.00 0.00 0.00 0.00 179.25 180.07 3df3 h ARG 108 N 0.24 0.01 -0.18 0.00 3.08 -0.09 0.57 114.38 118.00 3df3 h ARG 108 Ca 0.05 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3df3 h ARG 108 Cb 0.68 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3df3 h ARG 108 CO 0.04 0.01 -0.00 1.63 -1.07 0.00 0.00 179.97 180.58 3df3 n LYS 109 N -4.31 2.41 0.23 0.04 5.02 -1.15 -4.63 118.16 115.76 3df3 n LYS 109 Ca 0.15 -2.78 0.15 0.00 -2.02 0.00 0.00 58.31 53.82 3df3 n LYS 109 Cb 0.83 -1.74 0.82 0.00 -0.02 0.00 0.00 35.03 34.92 3df3 n LYS 109 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3df3 h ARG 110 N 1.25 0.00 0.00 1.97 2.43 -0.19 -3.46 114.38 116.38 3df3 h ARG 110 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3df3 h ARG 110 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3df3 h ARG 110 CO 0.16 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.03 3df3 n GLY 111 N -1.41 0.72 0.00 2.80 0.00 -1.26 -5.08 105.19 100.96 3df3 n GLY 111 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df3 n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df3 n ASP 112 N 0.00 0.00 -0.09 1.61 9.92 -1.26 -5.02 116.55 121.72 3df3 n ASP 112 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 3df3 n ASP 112 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 3df3 n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3df3 n LYS 113 N 0.00 0.50 -4.34 -1.24 5.02 -1.26 -4.99 118.16 111.85 3df3 n LYS 113 Ca 0.00 0.48 -0.26 0.00 -2.02 0.00 0.00 58.31 56.51 3df3 n LYS 113 Cb 0.00 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.22 3df3 n LYS 113 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3df3 s SER 114 N -6.18 2.92 0.37 4.39 0.01 -1.26 -5.03 113.70 108.92 3df3 s SER 114 Ca -0.22 -0.73 0.15 0.00 1.31 0.00 0.00 55.95 56.46 3df3 s SER 114 Cb 0.04 -0.18 1.03 0.00 0.21 0.00 0.00 66.02 67.12 3df3 s SER 114 CO 0.36 0.11 1.75 -0.03 0.41 0.00 0.00 173.24 175.84 3df3 h MET 115 N 3.90 0.45 -0.39 12.44 4.05 -1.95 -1.71 114.93 131.71 3df3 h MET 115 Ca -0.48 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 58.98 3df3 h MET 115 Cb 1.18 -0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 31.79 3df3 h MET 115 CO 0.40 0.30 -0.45 0.00 0.23 0.00 0.00 176.91 177.39 3df3 h ALA 116 N 1.66 -0.49 -0.08 0.39 0.00 -1.96 0.18 119.26 118.97 3df3 h ALA 116 Ca 0.62 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 3df3 h ALA 116 Cb 1.43 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 20.13 3df3 h ALA 116 CO -0.37 -0.89 0.04 -0.07 0.00 0.00 0.00 179.25 177.95 3df3 h LEU 117 N -0.35 0.09 -0.07 0.00 3.38 -1.72 -1.46 115.31 115.19 3df3 h LEU 117 Ca 0.13 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3df3 h LEU 117 Cb 0.59 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3df3 h LEU 117 CO -0.57 0.15 -0.21 0.03 0.09 0.00 0.00 178.44 177.93 3df3 h ARG 118 N 0.03 -0.21 0.09 1.13 3.08 -1.03 0.60 114.38 118.08 3df3 h ARG 118 Ca 0.03 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3df3 h ARG 118 Cb 0.07 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3df3 h ARG 118 CO -0.00 -0.14 -0.48 1.25 -1.07 0.00 0.00 179.97 179.53 3df3 h LEU 119 N -0.21 -1.45 0.07 3.04 5.85 -0.69 0.22 115.31 122.13 3df3 h LEU 119 Ca 0.01 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3df3 h LEU 119 Cb 0.26 0.54 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3df3 h LEU 119 CO -0.18 -0.50 -0.48 0.00 -0.34 0.00 0.00 178.44 176.94 3df3 h ALA 120 N -0.62 -0.94 -0.19 1.25 0.00 -1.10 0.48 119.26 118.12 3df3 h ALA 120 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 3df3 h ALA 120 Cb 0.68 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 3df3 h ALA 120 CO -0.27 -1.07 -0.15 -0.91 0.00 0.00 0.00 179.25 176.85 3df3 h ASN 121 N -0.66 -0.48 0.30 0.00 -0.26 0.30 -0.22 115.58 114.57 3df3 h ASN 121 Ca -0.00 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 3df3 h ASN 121 Cb 0.68 0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 38.18 3df3 h ASN 121 CO -0.28 -0.19 -0.09 -0.08 -1.06 0.00 0.00 177.43 175.73 3df3 h GLU 122 N -0.15 0.00 -0.16 0.81 4.57 -0.31 -1.73 114.58 117.61 3df3 h GLU 122 Ca 0.12 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 3df3 h GLU 122 Cb 0.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3df3 h GLU 122 CO -0.29 0.09 -0.43 -0.07 -1.18 0.00 0.00 179.01 177.13 3df3 h LEU 123 N 0.00 0.40 -0.00 1.64 3.38 0.18 -3.20 115.31 117.71 3df3 h LEU 123 Ca -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3df3 h LEU 123 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3df3 h LEU 123 CO 0.01 0.79 -0.08 0.28 0.09 0.00 0.00 178.44 179.53 3df3 h SER 124 N 0.31 0.08 -1.27 -0.43 0.02 -0.69 -3.27 113.55 108.29 3df3 h SER 124 Ca 0.02 -0.78 0.40 0.00 -0.84 0.00 0.00 61.79 60.59 3df3 h SER 124 Cb 0.89 -0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.29 3df3 h SER 124 CO 0.07 0.85 0.83 0.44 -1.14 0.00 0.00 176.83 177.88 3df3 h ASP 125 N -0.69 0.27 -0.39 3.07 5.19 -1.48 0.67 116.42 123.06 3df3 h ASP 125 Ca -0.01 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 3df3 h ASP 125 Cb 0.86 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 3df3 h ASP 125 CO 0.02 -0.12 -0.09 0.00 -3.12 0.00 0.00 179.24 175.93 3df3 h ALA 126 N 1.59 0.53 -0.92 3.45 0.00 -1.60 0.22 119.26 122.52 3df3 h ALA 126 Ca 0.77 -0.31 0.26 0.00 0.00 0.00 0.00 54.91 55.63 3df3 h ALA 126 Cb 2.38 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.99 3df3 h ALA 126 CO -0.38 0.39 0.66 0.00 0.00 0.00 0.00 179.25 179.92 3df3 h ALA 127 N 0.84 2.79 -0.07 0.00 0.00 0.29 -0.12 119.26 122.99 3df3 h ALA 127 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3df3 h ALA 127 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3df3 h ALA 127 CO 0.04 -1.06 -0.07 -0.85 0.00 0.00 0.00 179.25 177.31 3df3 n GLU 128 N -4.29 1.67 -3.00 0.00 0.00 -1.15 -4.83 120.64 109.05 3df3 n GLU 128 Ca 0.19 -2.76 -0.12 0.00 0.00 0.00 0.00 57.16 54.47 3df3 n GLU 128 Cb 0.96 -1.60 0.01 0.00 0.00 0.00 0.00 31.44 30.81 3df3 n GLU 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3df3 n ASN 129 N -1.20 -7.33 0.13 -1.84 4.13 -0.06 -4.98 115.26 104.10 3df3 n ASN 129 Ca 0.18 0.57 0.00 0.00 1.68 0.00 0.00 54.58 57.01 3df3 n ASN 129 Cb 0.72 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 3df3 n ASN 129 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3df3 n LYS 130 N 0.08 0.00 -0.94 3.52 0.00 0.72 -4.98 118.16 116.56 3df3 n LYS 130 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.07 3df3 n LYS 130 Cb 0.42 0.00 0.21 0.00 0.00 0.00 0.00 35.03 35.66 3df3 n LYS 130 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3df3 s GLY 131 N -4.50 1.55 0.60 3.14 0.00 -1.22 -4.83 107.32 102.06 3df3 s GLY 131 Ca 0.00 -0.36 0.30 0.00 0.00 0.00 0.00 44.72 44.66 3df3 s GLY 131 CO 0.00 0.33 2.12 -0.91 0.00 0.00 0.00 173.10 174.64 3df3 h THR 132 N -2.24 0.42 0.18 0.90 1.35 -1.95 -2.70 112.91 108.87 3df3 h THR 132 Ca -0.57 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3df3 h THR 132 Cb 1.33 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 3df3 h THR 132 CO 0.54 0.00 -0.44 0.00 -0.25 0.00 0.00 175.52 175.37 3df3 h ALA 133 N 1.78 -0.97 0.00 6.62 0.00 -1.90 0.89 119.26 125.68 3df3 h ALA 133 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3df3 h ALA 133 Cb 0.42 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3df3 h ALA 133 CO -0.00 -1.06 -0.13 -0.39 0.00 0.00 0.00 179.25 177.67 3df3 h VAL 134 N -0.68 0.85 0.40 0.00 -1.51 -1.58 -2.90 116.25 110.82 3df3 h VAL 134 Ca -0.02 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 3df3 h VAL 134 Cb 0.66 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3df3 h VAL 134 CO -0.20 0.13 -0.19 0.50 -1.23 0.00 0.00 177.57 176.58 3df3 h LYS 135 N 0.00 -0.51 -0.67 5.19 3.64 -0.90 -2.87 116.57 120.45 3df3 h LYS 135 Ca -0.00 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 3df3 h LYS 135 Cb 0.27 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.10 3df3 h LYS 135 CO 0.02 -0.20 0.06 -0.22 -2.27 0.00 0.00 179.45 176.84 3df3 h LYS 136 N -0.88 0.16 0.16 1.90 1.63 0.93 0.75 116.57 121.22 3df3 h LYS 136 Ca -0.05 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 3df3 h LYS 136 Cb 0.55 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3df3 h LYS 136 CO 0.09 0.11 -0.47 -0.09 -3.45 0.00 0.00 179.45 175.64 3df3 h ARG 137 N 0.17 -0.70 -0.57 1.90 2.43 -1.54 0.29 114.38 116.35 3df3 h ARG 137 Ca 0.36 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 3df3 h ARG 137 Cb 0.60 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3df3 h ARG 137 CO -0.53 -0.47 0.13 0.93 -1.51 0.00 0.00 179.97 178.52 3df3 h GLU 138 N -0.73 0.88 -0.94 0.20 4.39 -1.07 -1.23 114.58 116.08 3df3 h GLU 138 Ca 0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3df3 h GLU 138 Cb 0.73 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 3df3 h GLU 138 CO -0.24 0.79 0.56 -0.44 -1.16 0.00 0.00 179.01 178.52 3df3 h ASP 139 N 0.85 1.13 -0.34 1.42 3.45 0.11 -1.30 116.42 121.74 3df3 h ASP 139 Ca 0.18 -0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.43 3df3 h ASP 139 Cb 0.31 -0.29 -0.00 0.00 -0.56 0.00 0.00 39.33 38.79 3df3 h ASP 139 CO -0.00 0.87 -0.37 0.58 -1.57 0.00 0.00 179.24 178.74 3df3 h VAL 140 N 1.30 1.28 0.00 -1.35 2.07 -0.02 -2.75 116.25 116.78 3df3 h VAL 140 Ca 0.34 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3df3 h VAL 140 Cb -0.05 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3df3 h VAL 140 CO -0.06 0.51 -0.05 0.45 0.02 0.00 0.00 177.57 178.43 3df3 h HIS 141 N 0.63 0.00 -0.05 1.57 3.86 -0.78 -0.03 115.15 120.35 3df3 h HIS 141 Ca 0.05 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 3df3 h HIS 141 Cb 0.96 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 3df3 h HIS 141 CO 0.07 0.05 -0.59 0.00 0.86 0.00 0.00 177.93 178.32 3df3 h ARG 142 N 0.00 0.18 -0.06 2.45 3.08 -0.96 -2.79 114.38 116.28 3df3 h ARG 142 Ca -0.00 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3df3 h ARG 142 Cb 0.10 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3df3 h ARG 142 CO 0.01 0.71 -0.07 1.98 -1.07 0.00 0.00 179.97 181.53 3df3 h MET 143 N 0.13 -0.09 0.00 0.04 4.05 -0.81 -3.25 114.93 115.00 3df3 h MET 143 Ca -0.00 0.01 -0.31 0.00 -0.28 0.00 0.00 59.70 59.11 3df3 h MET 143 Cb 1.07 0.02 0.15 0.00 -0.80 0.00 0.00 31.60 32.04 3df3 h MET 143 CO 0.09 -0.06 0.16 0.00 0.23 0.00 0.00 176.91 177.33 3df3 n ALA 144 N -2.32 -2.22 0.00 0.39 0.00 -1.05 -2.58 120.51 112.72 3df3 n ALA 144 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.11 3df3 n ALA 144 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3df3 n ALA 144 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3df3 n GLU 145 N -3.82 0.00 0.00 0.00 4.07 -1.26 -3.63 120.64 116.01 3df3 n GLU 145 Ca 0.12 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.28 3df3 n GLU 145 Cb 0.45 0.00 0.28 0.00 -0.06 0.00 0.00 31.44 32.11 3df3 n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3df3 n ALA 146 N 0.00 1.61 -0.17 4.31 0.00 -1.23 -1.24 120.51 123.80 3df3 n ALA 146 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3df3 n ALA 146 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3df3 n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df3 n ASN 147 N -1.50 0.46 0.23 0.00 3.02 -1.07 -4.72 115.26 111.69 3df3 n ASN 147 Ca 0.03 -0.77 0.11 0.00 -0.03 0.00 0.00 54.58 53.92 3df3 n ASN 147 Cb 0.16 0.27 0.57 0.00 -0.61 0.00 0.00 39.78 40.17 3df3 n ASN 147 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3df3 h LYS 148 N 0.00 0.00 -0.68 3.52 3.64 -1.42 0.22 116.57 121.85 3df3 h LYS 148 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3df3 h LYS 148 Cb 0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3df3 h LYS 148 CO 0.00 0.00 0.45 0.00 -2.27 0.00 0.00 179.45 177.63 3df3 h ALA 149 N 1.34 1.96 0.04 5.00 0.00 -1.85 0.45 119.26 126.19 3df3 h ALA 149 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 3df3 h ALA 149 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3df3 h ALA 149 CO 0.00 -0.11 -1.01 0.74 0.00 0.00 0.00 179.25 178.87 3df3 h PHE 150 N 0.51 0.33 -1.40 0.00 0.05 -0.94 -3.49 116.94 111.99 3df3 h PHE 150 Ca 0.32 -0.21 0.12 0.00 3.82 0.00 0.00 57.97 62.02 3df3 h PHE 150 Cb 0.56 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 38.46 3df3 h PHE 150 CO -0.00 1.09 -0.16 0.00 -0.18 0.00 0.00 178.31 179.05 3df3 n ALA 151 N -2.47 -1.75 -1.62 2.45 0.00 0.16 -4.55 120.51 112.73 3df3 n ALA 151 Ca -0.05 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.59 3df3 n ALA 151 Cb 0.90 -0.55 0.20 0.00 0.00 0.00 0.00 19.45 20.00 3df3 n ALA 151 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3df3 n HIS 152 N -1.87 0.00 -0.44 0.00 1.44 -1.23 -4.18 115.22 108.95 3df3 n HIS 152 Ca 0.00 -1.44 0.00 0.00 -2.01 0.00 0.00 57.72 54.28 3df3 n HIS 152 Cb 0.20 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.07 3df3 n HIS 152 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19