#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs2 s GLN 2 N 0.00 4.49 -0.12 2.12 -0.21 -0.77 -4.83 119.66 120.33 3hs2 s GLN 2 Ca 0.00 1.72 -0.02 0.00 0.02 0.00 0.00 55.36 57.09 3hs2 s GLN 2 Cb 0.00 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.99 3hs2 s GLN 2 CO 0.00 0.10 -0.06 0.45 -2.12 0.00 0.00 175.29 173.66 3hs2 s SER 3 N -1.08 4.64 0.04 5.90 0.15 -1.26 0.03 113.70 122.12 3hs2 s SER 3 Ca 0.49 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.02 3hs2 s SER 3 Cb -0.29 -1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 3hs2 s SER 3 CO 0.37 0.23 -0.05 -0.51 1.20 0.00 0.00 173.24 174.48 3hs2 s ILE 4 N -0.02 0.33 0.66 6.45 1.10 0.43 -4.96 121.20 125.19 3hs2 s ILE 4 Ca -0.00 -1.13 -0.03 0.00 -0.51 0.00 0.00 60.65 58.98 3hs2 s ILE 4 Cb -0.13 -0.61 0.07 0.00 0.15 0.00 0.00 42.46 41.94 3hs2 s ILE 4 CO 0.03 -0.53 0.93 0.54 -2.11 0.00 0.00 174.94 173.80 3hs2 s ASN 5 N -1.75 4.84 0.08 4.50 2.20 -1.26 -0.63 114.94 122.92 3hs2 s ASN 5 Ca -0.10 0.11 -0.25 0.00 -0.94 0.00 0.00 52.86 51.68 3hs2 s ASN 5 Cb -0.07 -0.78 -0.16 0.00 -2.00 0.00 0.00 41.25 38.24 3hs2 s ASN 5 CO -0.02 -1.51 1.68 0.15 -2.94 0.00 0.00 177.10 174.47 3hs2 h PHE 6 N -0.36 -0.17 -1.01 1.54 3.57 -1.84 -0.44 116.94 118.24 3hs2 h PHE 6 Ca -0.42 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.31 3hs2 h PHE 6 Cb 1.30 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.97 3hs2 h PHE 6 CO 0.19 -0.08 0.60 0.00 -2.23 0.00 0.00 178.31 176.80 3hs2 h ARG 7 N -0.21 0.61 -0.01 1.11 3.08 -1.95 0.27 114.38 117.27 3hs2 h ARG 7 Ca -0.02 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3hs2 h ARG 7 Cb 0.17 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hs2 h ARG 7 CO 0.03 0.40 -0.45 1.15 -1.07 0.00 0.00 179.97 180.03 3hs2 h THR 8 N 0.63 1.46 -0.72 2.04 2.02 -1.88 0.20 112.91 116.66 3hs2 h THR 8 Ca 0.62 -1.98 0.11 0.00 0.77 0.00 0.00 66.41 65.93 3hs2 h THR 8 Cb 1.15 2.60 -0.08 0.00 -1.74 0.00 0.00 68.15 70.08 3hs2 h THR 8 CO -0.44 0.57 0.34 0.00 0.37 0.00 0.00 175.52 176.36 3hs2 h ALA 9 N 0.32 1.00 0.00 6.16 0.00 0.64 0.39 119.26 127.78 3hs2 h ALA 9 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hs2 h ALA 9 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hs2 h ALA 9 CO 0.09 -0.09 -0.05 -0.09 0.00 0.00 0.00 179.25 179.11 3hs2 h ARG 10 N 0.56 0.03 0.00 0.00 2.43 -0.62 -2.62 114.38 114.16 3hs2 h ARG 10 Ca 0.37 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 3hs2 h ARG 10 Cb 0.44 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hs2 h ARG 10 CO -0.30 0.88 -0.20 0.78 -1.51 0.00 0.00 179.97 179.61 3hs2 h GLY 11 N -0.81 0.00 -0.91 2.80 0.00 -0.78 -3.18 103.07 100.19 3hs2 h GLY 11 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3hs2 h GLY 11 CO 0.01 0.00 -0.41 1.16 0.00 0.00 0.00 176.54 177.29 3hs2 n ASN 12 N -3.86 1.74 -0.20 0.19 2.04 0.14 -4.87 115.26 110.45 3hs2 n ASN 12 Ca -0.02 -3.43 0.21 0.00 -0.44 0.00 0.00 54.58 50.90 3hs2 n ASN 12 Cb 0.30 -0.47 0.57 0.00 -2.53 0.00 0.00 39.78 37.65 3hs2 n ASN 12 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3hs2 h LEU 13 N 0.69 0.29 -0.50 -4.53 5.85 -1.44 -0.93 115.31 114.73 3hs2 h LEU 13 Ca -0.02 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3hs2 h LEU 13 Cb 1.10 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3hs2 h LEU 13 CO 0.01 0.12 -0.01 0.28 -0.34 0.00 0.00 178.44 178.50 3hs2 h SER 14 N 0.29 0.88 0.76 1.25 0.02 -1.89 -1.75 113.55 113.10 3hs2 h SER 14 Ca 0.43 -0.31 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 3hs2 h SER 14 Cb 1.22 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3hs2 h SER 14 CO -0.12 0.98 -0.79 -0.33 -1.14 0.00 0.00 176.83 175.43 3hs2 h GLU 15 N 0.76 0.02 -0.48 3.45 3.07 -1.60 -2.67 114.58 117.13 3hs2 h GLU 15 Ca 0.14 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3hs2 h GLU 15 Cb 0.53 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3hs2 h GLU 15 CO 0.03 0.80 0.13 0.28 -1.40 0.00 0.00 179.01 178.85 3hs2 h VAL 16 N 0.01 1.23 -0.16 3.13 2.07 -1.22 -1.56 116.25 119.76 3hs2 h VAL 16 Ca -0.01 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3hs2 h VAL 16 Cb 1.39 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3hs2 h VAL 16 CO 0.10 0.29 -0.13 -0.07 0.02 0.00 0.00 177.57 177.79 3hs2 h LEU 17 N 0.65 0.24 0.15 2.57 3.38 -1.25 -1.39 115.31 119.66 3hs2 h LEU 17 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hs2 h LEU 17 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hs2 h LEU 17 CO -0.00 0.39 -0.07 0.78 0.09 0.00 0.00 178.44 179.63 3hs2 h ASN 18 N 0.24 -0.17 -1.00 -0.43 2.35 -1.19 0.12 115.58 115.50 3hs2 h ASN 18 Ca 0.05 -0.20 0.19 0.00 -0.55 0.00 0.00 56.30 55.79 3hs2 h ASN 18 Cb 0.37 0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.68 3hs2 h ASN 18 CO 0.02 0.11 0.61 0.78 -1.65 0.00 0.00 177.43 177.30 3hs2 h ASN 19 N -0.45 0.78 -0.10 5.81 2.35 -1.03 -1.48 115.58 121.46 3hs2 h ASN 19 Ca -0.02 0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3hs2 h ASN 19 Cb 0.35 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3hs2 h ASN 19 CO 0.03 0.29 -0.30 0.58 -1.65 0.00 0.00 177.43 176.39 3hs2 h VAL 20 N 0.77 1.39 0.00 2.81 2.07 -1.06 -2.08 116.25 120.15 3hs2 h VAL 20 Ca 0.57 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3hs2 h VAL 20 Cb 0.88 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3hs2 h VAL 20 CO -0.36 0.47 -0.01 -0.08 0.02 0.00 0.00 177.57 177.62 3hs2 h GLU 21 N -0.05 0.00 0.00 1.57 4.81 -0.30 0.97 114.58 121.59 3hs2 h GLU 21 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hs2 h GLU 21 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3hs2 h GLU 21 CO 0.06 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.35 3hs2 n ALA 22 N -2.52 2.15 0.00 2.92 0.00 -0.60 -4.87 120.51 117.60 3hs2 n ALA 22 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hs2 n ALA 22 Cb 0.10 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3hs2 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hs2 n GLY 23 N 0.69 1.18 3.85 0.00 0.00 0.33 -5.09 105.19 106.15 3hs2 n GLY 23 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3hs2 n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hs2 s GLU 24 N -0.59 4.02 -0.28 1.61 2.56 -0.79 -5.01 118.70 120.22 3hs2 s GLU 24 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 3hs2 s GLU 24 Cb 0.00 -2.40 -0.01 0.00 2.00 0.00 0.00 34.13 33.72 3hs2 s GLU 24 CO 0.00 0.13 0.10 -1.21 -0.56 0.00 0.00 175.26 173.71 3hs2 s GLU 25 N -3.05 3.45 -0.22 4.30 2.02 -1.26 -4.35 118.70 119.59 3hs2 s GLU 25 Ca 0.55 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.87 3hs2 s GLU 25 Cb -0.10 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 3hs2 s GLU 25 CO 0.17 -0.31 -0.02 0.08 0.02 0.00 0.00 175.26 175.20 3hs2 s VAL 26 N 1.59 3.57 -0.09 2.63 1.01 -0.83 -1.84 120.40 126.45 3hs2 s VAL 26 Ca 0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 3hs2 s VAL 26 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3hs2 s VAL 26 CO 0.04 0.41 0.61 -0.70 0.00 0.00 0.00 175.10 175.46 3hs2 s GLU 27 N 1.45 4.39 -0.29 2.72 2.12 0.10 -0.54 118.70 128.66 3hs2 s GLU 27 Ca 0.05 0.70 -0.09 0.00 0.36 0.00 0.00 54.97 55.98 3hs2 s GLU 27 Cb -0.14 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3hs2 s GLU 27 CO -0.02 0.10 0.14 0.42 -0.54 0.00 0.00 175.26 175.37 3hs2 s ILE 28 N 0.74 4.67 0.20 -3.70 1.01 0.12 -0.42 121.20 123.81 3hs2 s ILE 28 Ca 0.33 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3hs2 s ILE 28 Cb -0.17 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 3hs2 s ILE 28 CO 0.15 0.15 0.45 0.42 0.00 0.00 0.00 174.94 176.11 3hs2 s THR 29 N 1.64 5.08 -0.00 2.92 -4.23 0.20 -1.05 115.64 120.21 3hs2 s THR 29 Ca 0.05 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.71 3hs2 s THR 29 Cb -0.16 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 3hs2 s THR 29 CO 0.07 -0.07 -0.08 -0.13 -0.54 0.00 0.00 174.62 173.86 3hs2 s ARG 30 N -2.91 0.65 -0.20 3.99 0.52 -1.26 -2.34 118.95 117.40 3hs2 s ARG 30 Ca 0.43 -0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.00 3hs2 s ARG 30 Cb -0.12 -0.62 -0.09 0.00 0.52 0.00 0.00 34.95 34.65 3hs2 s ARG 30 CO 0.25 0.17 2.11 -2.13 0.02 0.00 0.00 175.30 175.71 3hs2 n ARG 31 N 2.79 1.88 -2.48 3.54 0.00 -1.26 -2.21 116.66 118.91 3hs2 n ARG 31 Ca -0.14 0.59 -0.11 0.00 -0.00 0.00 0.00 57.85 58.19 3hs2 n ARG 31 Cb 0.57 -2.87 0.01 0.00 0.00 0.00 0.00 32.46 30.17 3hs2 n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hs2 n GLY 32 N 5.51 0.00 3.27 5.14 0.00 -1.26 -5.02 105.19 112.84 3hs2 n GLY 32 Ca 0.30 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3hs2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hs2 s ARG 33 N -4.90 1.15 0.39 1.61 1.81 -0.94 -5.15 118.95 112.92 3hs2 s ARG 33 Ca 0.10 -1.40 -0.25 0.00 -1.72 0.00 0.00 55.73 52.46 3hs2 s ARG 33 Cb -0.04 0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 34.69 3hs2 s ARG 33 CO 0.12 -0.39 1.09 -1.21 -0.68 0.00 0.00 175.30 174.22 3hs2 s GLU 34 N -4.05 4.17 0.38 3.54 0.41 -1.26 -4.52 118.70 117.37 3hs2 s GLU 34 Ca 0.26 1.63 -0.25 0.00 -0.41 0.00 0.00 54.97 56.20 3hs2 s GLU 34 Cb 0.05 -2.63 -0.09 0.00 -1.78 0.00 0.00 34.13 29.68 3hs2 s GLU 34 CO 0.05 -0.16 1.04 -2.14 -0.49 0.00 0.00 175.26 173.56 3hs2 s PRO 35 N -2.35 4.25 0.41 0.39 0.02 -1.26 -4.64 135.00 131.83 3hs2 s PRO 35 Ca 0.56 1.51 0.08 0.00 0.02 0.00 0.00 61.00 63.17 3hs2 s PRO 35 Cb -0.25 -2.62 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 3hs2 s PRO 35 CO 0.32 -0.06 0.34 0.00 -0.33 0.00 0.00 177.00 177.26 3hs2 s ALA 36 N -1.62 3.96 -0.05 -1.55 0.00 -0.21 -4.95 121.76 117.33 3hs2 s ALA 36 Ca 0.56 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.63 3hs2 s ALA 36 Cb -0.22 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3hs2 s ALA 36 CO 0.28 -0.19 -0.08 0.08 0.00 0.00 0.00 175.76 175.85 3hs2 s VAL 37 N -2.48 0.79 -0.11 0.00 1.01 -1.26 -0.70 120.40 117.65 3hs2 s VAL 37 Ca 0.46 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 3hs2 s VAL 37 Cb -0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3hs2 s VAL 37 CO 0.27 0.28 -0.00 -0.51 0.00 0.00 0.00 175.10 175.13 3hs2 s ILE 38 N 0.76 4.26 0.12 2.22 2.07 0.30 -4.99 121.20 125.94 3hs2 s ILE 38 Ca -0.13 -0.25 -0.19 0.00 -1.41 0.00 0.00 60.65 58.68 3hs2 s ILE 38 Cb -0.15 -2.83 0.05 0.00 0.13 0.00 0.00 42.46 39.66 3hs2 s ILE 38 CO 0.02 0.56 0.47 0.54 -1.91 0.00 0.00 174.94 174.61 3hs2 s VAL 39 N -0.43 0.05 0.33 4.00 0.11 -1.26 -1.97 120.40 121.23 3hs2 s VAL 39 Ca 0.08 -0.38 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 3hs2 s VAL 39 Cb -0.12 -1.09 -0.12 0.00 -1.53 0.00 0.00 36.38 33.52 3hs2 s VAL 39 CO 0.02 -0.21 1.43 -0.24 -3.33 0.00 0.00 175.10 172.77 3hs2 n SER 40 N -0.13 3.32 -0.18 3.54 2.88 -1.26 -4.89 113.62 116.91 3hs2 n SER 40 Ca -0.17 1.20 -0.09 0.00 -1.33 0.00 0.00 58.87 58.48 3hs2 n SER 40 Cb 0.63 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.56 3hs2 n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hs2 h LYS 41 N 3.30 0.79 -0.32 -1.46 3.64 -1.98 -1.06 116.57 119.48 3hs2 h LYS 41 Ca -0.48 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 58.79 3hs2 h LYS 41 Cb 1.26 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 3hs2 h LYS 41 CO 0.68 0.75 -0.05 0.00 -2.27 0.00 0.00 179.45 178.55 3hs2 h ALA 42 N 1.01 0.24 -0.29 5.00 0.00 -1.98 0.71 119.26 123.94 3hs2 h ALA 42 Ca 0.16 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3hs2 h ALA 42 Cb 0.30 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hs2 h ALA 42 CO -0.00 -0.44 0.19 1.15 0.00 0.00 0.00 179.25 180.14 3hs2 h THR 43 N 0.03 1.07 -0.39 0.00 2.02 -1.91 0.16 112.91 113.89 3hs2 h THR 43 Ca 0.15 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3hs2 h THR 43 Cb 0.23 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3hs2 h THR 43 CO -0.30 0.07 0.15 0.15 0.37 0.00 0.00 175.52 175.96 3hs2 h PHE 44 N 0.39 0.60 -0.31 3.16 3.57 -0.38 0.22 116.94 124.18 3hs2 h PHE 44 Ca 0.11 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3hs2 h PHE 44 Cb -0.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3hs2 h PHE 44 CO -0.06 0.53 -0.13 0.93 -2.23 0.00 0.00 178.31 177.35 3hs2 h GLU 45 N 0.48 0.54 -0.42 1.11 4.39 0.53 -0.80 114.58 120.41 3hs2 h GLU 45 Ca 0.13 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3hs2 h GLU 45 Cb 0.19 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3hs2 h GLU 45 CO -0.01 0.66 0.21 0.00 -1.16 0.00 0.00 179.01 178.71 3hs2 h ALA 46 N 1.37 0.54 -0.29 3.43 0.00 -0.10 0.26 119.26 124.47 3hs2 h ALA 46 Ca 0.09 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hs2 h ALA 46 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hs2 h ALA 46 CO 0.03 0.09 0.14 1.88 0.00 0.00 0.00 179.25 181.39 3hs2 h TYR 47 N 0.54 0.25 -0.71 0.00 0.05 -0.65 -0.80 116.97 115.66 3hs2 h TYR 47 Ca 0.15 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3hs2 h TYR 47 Cb 0.10 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3hs2 h TYR 47 CO -0.01 0.14 0.44 0.87 -1.05 0.00 0.00 178.16 178.54 3hs2 h LYS 48 N 0.29 0.96 -0.02 4.88 1.57 -0.72 -0.06 116.57 123.47 3hs2 h LYS 48 Ca 0.12 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hs2 h LYS 48 Cb 0.05 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 3hs2 h LYS 48 CO -0.09 0.67 0.01 -0.22 -0.57 0.00 0.00 179.45 179.25 3hs2 h LYS 49 N 0.97 0.03 -0.45 3.15 3.64 -0.31 -0.78 116.57 122.82 3hs2 h LYS 49 Ca 0.26 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3hs2 h LYS 49 Cb -0.05 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3hs2 h LYS 49 CO -0.05 0.13 0.15 0.00 -2.27 0.00 0.00 179.45 177.41 3hs2 h ALA 50 N 0.89 0.53 -0.40 5.00 0.00 -0.85 -0.65 119.26 123.78 3hs2 h ALA 50 Ca 0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3hs2 h ALA 50 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3hs2 h ALA 50 CO -0.00 -0.24 0.14 0.00 0.00 0.00 0.00 179.25 179.14 3hs2 h ALA 51 N 1.30 1.49 -0.02 0.00 0.00 -0.91 -3.51 119.26 117.61 3hs2 h ALA 51 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hs2 h ALA 51 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hs2 h ALA 51 CO -0.22 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.70