#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 4.25 -0.22 2.12 2.00 -1.19 -4.83 119.66 121.78 3hs2 s GLN 2 Ca 0.00 2.03 0.01 0.00 -2.00 0.00 0.00 55.36 55.40 3hs2 s GLN 2 Cb 0.00 -2.92 0.05 0.00 0.80 0.00 0.00 33.01 30.94 3hs2 s GLN 2 CO 0.00 -0.21 -0.08 0.45 -0.50 0.00 0.00 175.29 174.95 3hs2 s SER 3 N -0.78 3.63 0.28 6.67 0.15 -1.26 -0.58 113.70 121.81 3hs2 s SER 3 Ca 0.52 -1.04 0.12 0.00 0.70 0.00 0.00 55.95 56.25 3hs2 s SER 3 Cb -0.36 -1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 3hs2 s SER 3 CO 0.46 -0.19 -0.19 0.27 1.20 0.00 0.00 173.24 174.78 3hs2 s ILE 4 N 1.40 2.46 0.48 6.45 -4.36 -0.21 -4.99 121.20 122.42 3hs2 s ILE 4 Ca -0.04 -2.40 -0.02 0.00 -0.26 0.00 0.00 60.65 57.93 3hs2 s ILE 4 Cb -0.18 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 3hs2 s ILE 4 CO -0.07 -0.39 0.74 0.54 0.24 0.00 0.00 174.94 176.00 3hs2 s ASN 5 N -3.51 5.90 0.23 4.36 2.20 -1.26 -1.30 114.94 121.56 3hs2 s ASN 5 Ca 0.30 0.53 -0.08 0.00 -0.94 0.00 0.00 52.86 52.67 3hs2 s ASN 5 Cb -0.05 -1.76 0.39 0.00 -2.00 0.00 0.00 41.25 37.83 3hs2 s ASN 5 CO 0.15 -0.73 1.66 0.15 -2.94 0.00 0.00 177.10 175.40 3hs2 h PHE 6 N 0.26 0.06 -0.69 1.54 3.57 -1.63 -1.35 116.94 118.70 3hs2 h PHE 6 Ca -0.46 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 3hs2 h PHE 6 Cb 1.24 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 3hs2 h PHE 6 CO 0.49 -0.16 0.38 0.00 -2.23 0.00 0.00 178.31 176.79 3hs2 h ARG 7 N 0.16 0.96 -0.42 1.11 2.47 -1.94 -0.30 114.38 116.42 3hs2 h ARG 7 Ca 0.38 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.86 3hs2 h ARG 7 Cb 0.64 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 3hs2 h ARG 7 CO -0.56 0.71 -0.23 1.15 0.56 0.00 0.00 179.97 181.60 3hs2 h THR 8 N 0.95 1.27 -0.70 2.04 2.02 -1.71 -2.64 112.91 114.14 3hs2 h THR 8 Ca 0.24 -1.37 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 3hs2 h THR 8 Cb 0.03 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 3hs2 h THR 8 CO -0.04 0.46 0.18 0.00 0.37 0.00 0.00 175.52 176.49 3hs2 h ALA 9 N 0.99 0.98 -0.55 6.16 0.00 -0.84 -1.12 119.26 124.89 3hs2 h ALA 9 Ca 0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3hs2 h ALA 9 Cb 0.77 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3hs2 h ALA 9 CO 0.06 0.66 0.05 -0.09 0.00 0.00 0.00 179.25 179.94 3hs2 h ARG 10 N 1.06 0.89 0.04 0.00 2.43 -0.91 -1.75 114.38 116.15 3hs2 h ARG 10 Ca 0.22 -0.23 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 3hs2 h ARG 10 Cb 0.36 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3hs2 h ARG 10 CO 0.00 0.85 -1.18 0.78 -1.51 0.00 0.00 179.97 178.92 3hs2 h GLY 11 N 1.00 0.10 -3.90 2.80 0.00 -1.32 -3.36 103.07 98.39 3hs2 h GLY 11 Ca 0.17 -0.26 -0.57 0.00 0.00 0.00 0.00 47.33 46.67 3hs2 h GLY 11 CO 0.01 0.22 -0.65 0.70 0.00 0.00 0.00 176.54 176.83 3hs2 n ASN 12 N -3.37 5.14 -0.19 0.19 4.13 -0.44 -4.84 115.26 115.89 3hs2 n ASN 12 Ca -0.05 -3.75 -0.07 0.00 1.68 0.00 0.00 54.58 52.39 3hs2 n ASN 12 Cb 0.98 -0.42 0.02 0.00 -1.54 0.00 0.00 39.78 38.83 3hs2 n ASN 12 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3hs2 h LEU 13 N 2.24 0.65 -0.45 3.41 5.85 -1.48 -1.47 115.31 124.06 3hs2 h LEU 13 Ca 0.38 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.11 3hs2 h LEU 13 Cb 1.38 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 3hs2 h LEU 13 CO 0.85 0.54 0.03 0.28 -0.34 0.00 0.00 178.44 179.79 3hs2 h SER 14 N 0.72 -0.13 -0.05 1.25 0.02 -1.88 0.69 113.55 114.17 3hs2 h SER 14 Ca 0.19 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3hs2 h SER 14 Cb 0.01 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3hs2 h SER 14 CO -0.03 -0.03 -0.35 1.05 -1.14 0.00 0.00 176.83 176.33 3hs2 h GLU 15 N 0.14 0.54 -0.32 3.45 9.09 -1.90 0.21 114.58 125.80 3hs2 h GLU 15 Ca 0.22 -0.25 0.05 0.00 0.05 0.00 0.00 59.36 59.43 3hs2 h GLU 15 Cb 0.31 -0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.36 3hs2 h GLU 15 CO -0.34 0.82 0.05 0.28 0.05 0.00 0.00 179.01 179.87 3hs2 h VAL 16 N 0.46 0.84 -0.64 -1.06 2.07 -0.35 -0.79 116.25 116.78 3hs2 h VAL 16 Ca 0.05 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3hs2 h VAL 16 Cb 0.82 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 3hs2 h VAL 16 CO 0.07 0.03 0.17 -0.07 0.02 0.00 0.00 177.57 177.79 3hs2 h LEU 17 N 0.16 0.93 -0.51 2.57 3.38 -0.49 -2.02 115.31 119.34 3hs2 h LEU 17 Ca 0.15 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.04 3hs2 h LEU 17 Cb 0.17 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3hs2 h LEU 17 CO -0.20 0.89 0.04 0.78 0.09 0.00 0.00 178.44 180.03 3hs2 h ASN 18 N 0.95 -0.14 -0.16 -0.43 2.35 0.17 0.39 115.58 118.72 3hs2 h ASN 18 Ca 0.21 0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.95 3hs2 h ASN 18 Cb 0.32 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3hs2 h ASN 18 CO -0.00 -0.04 -0.28 0.78 -1.65 0.00 0.00 177.43 176.24 3hs2 h ASN 19 N 0.16 0.64 -0.48 5.81 2.35 -0.82 -2.82 115.58 120.43 3hs2 h ASN 19 Ca 0.26 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3hs2 h ASN 19 Cb 0.38 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3hs2 h ASN 19 CO -0.39 0.89 0.15 0.58 -1.65 0.00 0.00 177.43 177.01 3hs2 h VAL 20 N 0.54 1.22 -0.00 2.81 2.07 -0.76 -1.85 116.25 120.29 3hs2 h VAL 20 Ca 0.07 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3hs2 h VAL 20 Cb 0.76 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hs2 h VAL 20 CO 0.06 0.27 0.00 -0.08 0.02 0.00 0.00 177.57 177.84 3hs2 h GLU 21 N 0.63 0.00 -0.39 1.57 4.57 -0.76 -0.70 114.58 119.50 3hs2 h GLU 21 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3hs2 h GLU 21 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3hs2 h GLU 21 CO -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.82 3hs2 n ALA 22 N -2.43 2.55 -0.20 2.92 0.00 -0.94 -4.88 120.51 117.53 3hs2 n ALA 22 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3hs2 n ALA 22 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.88 0.73 3.86 0.00 0.00 -0.27 -5.07 105.19 105.32 3hs2 n GLY 23 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.80 3.86 -0.24 1.61 2.12 -0.74 -4.99 118.70 119.52 3hs2 s GLU 24 Ca 0.00 0.63 -0.06 0.00 0.36 0.00 0.00 54.97 55.89 3hs2 s GLU 24 Cb 0.00 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.04 3hs2 s GLU 24 CO 0.00 -0.07 0.04 -1.21 -0.54 0.00 0.00 175.26 173.48 3hs2 s GLU 25 N -3.78 3.62 -0.25 4.30 2.02 -1.26 -4.31 118.70 119.04 3hs2 s GLU 25 Ca 0.54 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 3hs2 s GLU 25 Cb -0.10 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.90 3hs2 s GLU 25 CO 0.29 -0.15 -0.02 0.08 0.02 0.00 0.00 175.26 175.49 3hs2 s VAL 26 N 1.46 3.31 -0.11 2.63 1.01 -0.66 -3.18 120.40 124.87 3hs2 s VAL 26 Ca 0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 3hs2 s VAL 26 Cb -0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3hs2 s VAL 26 CO 0.02 0.24 0.69 -0.70 0.00 0.00 0.00 175.10 175.35 3hs2 s GLU 27 N 1.42 4.37 -0.23 2.72 2.12 0.25 -0.70 118.70 128.64 3hs2 s GLU 27 Ca 0.03 0.82 -0.03 0.00 0.36 0.00 0.00 54.97 56.14 3hs2 s GLU 27 Cb -0.16 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3hs2 s GLU 27 CO -0.02 -0.05 -0.05 0.42 -0.54 0.00 0.00 175.26 175.02 3hs2 s ILE 28 N 1.21 3.16 -0.09 -3.70 1.01 -0.28 -1.04 121.20 121.45 3hs2 s ILE 28 Ca 0.35 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.28 3hs2 s ILE 28 Cb -0.17 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3hs2 s ILE 28 CO 0.15 0.32 -0.10 0.42 0.00 0.00 0.00 174.94 175.74 3hs2 s THR 29 N 1.41 3.43 -0.11 2.92 -4.23 -0.42 -1.15 115.64 117.50 3hs2 s THR 29 Ca 0.04 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 3hs2 s THR 29 Cb -0.15 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.28 3hs2 s THR 29 CO -0.04 0.56 -0.22 -0.13 -0.54 0.00 0.00 174.62 174.26 3hs2 s ARG 30 N -0.35 2.88 -0.28 3.99 0.52 -1.26 -1.49 118.95 122.96 3hs2 s ARG 30 Ca 0.04 -0.81 -0.39 0.00 -0.52 0.00 0.00 55.73 54.05 3hs2 s ARG 30 Cb -0.12 -2.25 -0.15 0.00 0.52 0.00 0.00 34.95 32.94 3hs2 s ARG 30 CO 0.02 0.08 1.81 2.89 0.02 0.00 0.00 175.30 180.13 3hs2 n ARG 31 N 3.78 1.18 -0.42 3.54 -4.01 -1.26 -0.91 116.66 118.57 3hs2 n ARG 31 Ca -0.20 0.42 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 3hs2 n ARG 31 Cb 0.52 -2.16 0.00 0.00 -3.04 0.00 0.00 32.46 27.78 3hs2 n ARG 31 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3hs2 n GLY 32 N 4.54 0.82 3.62 2.89 0.00 -1.26 -5.04 105.19 110.76 3hs2 n GLY 32 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.53 2.05 0.33 1.61 1.81 -0.09 -5.11 118.95 119.03 3hs2 s ARG 33 Ca 0.00 -1.77 -0.28 0.00 -1.72 0.00 0.00 55.73 51.96 3hs2 s ARG 33 Cb 0.00 -1.90 -0.10 0.00 -0.45 0.00 0.00 34.95 32.50 3hs2 s ARG 33 CO 0.00 0.13 1.24 -1.21 -0.68 0.00 0.00 175.30 174.78 3hs2 s GLU 34 N -3.71 4.36 0.56 3.54 0.41 -1.26 -4.61 118.70 117.99 3hs2 s GLU 34 Ca 0.35 2.07 -0.18 0.00 -0.41 0.00 0.00 54.97 56.79 3hs2 s GLU 34 Cb 0.00 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.28 3hs2 s GLU 34 CO 0.19 -0.13 1.10 -2.14 -0.49 0.00 0.00 175.26 173.79 3hs2 s PRO 35 N -1.81 3.32 0.40 0.39 0.02 -1.26 -4.71 135.00 131.36 3hs2 s PRO 35 Ca 0.49 1.47 0.08 0.00 0.02 0.00 0.00 61.00 63.06 3hs2 s PRO 35 Cb -0.37 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 3hs2 s PRO 35 CO 0.48 -0.85 0.28 0.00 -0.33 0.00 0.00 177.00 176.58 3hs2 s ALA 36 N -2.01 3.82 -0.02 -1.55 0.00 -0.30 -4.97 121.76 116.74 3hs2 s ALA 36 Ca 0.69 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3hs2 s ALA 36 Cb -0.21 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3hs2 s ALA 36 CO 0.30 -0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.91 3hs2 s VAL 37 N -2.51 0.54 -0.14 0.00 1.01 -1.26 -1.13 120.40 116.91 3hs2 s VAL 37 Ca 0.44 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3hs2 s VAL 37 Cb -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 3hs2 s VAL 37 CO 0.25 0.18 -0.01 -0.51 0.00 0.00 0.00 175.10 175.02 3hs2 s ILE 38 N 0.29 4.17 0.15 2.22 2.07 0.12 -4.97 121.20 125.25 3hs2 s ILE 38 Ca -0.04 -0.27 -0.13 0.00 -1.41 0.00 0.00 60.65 58.80 3hs2 s ILE 38 Cb -0.08 -2.81 0.01 0.00 0.13 0.00 0.00 42.46 39.71 3hs2 s ILE 38 CO -0.00 0.53 0.35 0.54 -1.91 0.00 0.00 174.94 174.45 3hs2 s VAL 39 N -0.06 0.07 0.37 4.00 0.11 -1.26 -1.65 120.40 121.98 3hs2 s VAL 39 Ca 0.03 -1.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.80 3hs2 s VAL 39 Cb -0.13 -1.52 -0.11 0.00 -1.53 0.00 0.00 36.38 33.10 3hs2 s VAL 39 CO 0.02 -0.32 1.44 -0.94 -3.33 0.00 0.00 175.10 171.97 3hs2 s SER 40 N -2.88 6.43 0.20 3.54 1.04 -1.26 -4.89 113.70 115.88 3hs2 s SER 40 Ca 0.09 2.96 -0.11 0.00 0.48 0.00 0.00 55.95 59.37 3hs2 s SER 40 Cb 0.02 -2.66 0.15 0.00 0.10 0.00 0.00 66.02 63.63 3hs2 s SER 40 CO -0.06 -0.80 1.85 0.50 0.98 0.00 0.00 173.24 175.72 3hs2 h LYS 41 N 3.07 0.84 -0.82 4.02 3.64 -1.99 -2.24 116.57 123.09 3hs2 h LYS 41 Ca -0.50 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 3hs2 h LYS 41 Cb 1.24 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 3hs2 h LYS 41 CO 0.64 0.56 0.53 0.00 -2.27 0.00 0.00 179.45 178.91 3hs2 h ALA 42 N 1.27 1.39 -0.07 5.00 0.00 -1.99 -0.32 119.26 124.55 3hs2 h ALA 42 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hs2 h ALA 42 Cb -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3hs2 h ALA 42 CO -0.08 0.56 -0.01 1.15 0.00 0.00 0.00 179.25 180.86 3hs2 h THR 43 N 1.12 1.28 -0.63 0.00 2.02 -1.84 -1.92 112.91 112.94 3hs2 h THR 43 Ca 0.30 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.62 3hs2 h THR 43 Cb -0.11 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3hs2 h THR 43 CO -0.06 0.24 0.41 0.15 0.37 0.00 0.00 175.52 176.62 3hs2 h PHE 44 N -0.19 0.76 -0.46 3.16 3.57 -1.15 -1.90 116.94 120.73 3hs2 h PHE 44 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3hs2 h PHE 44 Cb 0.39 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3hs2 h PHE 44 CO 0.05 0.46 -0.07 0.93 -2.23 0.00 0.00 178.31 177.45 3hs2 h GLU 45 N 0.82 0.81 -0.23 1.11 4.39 -1.05 -0.26 114.58 120.16 3hs2 h GLU 45 Ca 0.24 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3hs2 h GLU 45 Cb -0.05 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3hs2 h GLU 45 CO -0.07 0.86 0.12 0.00 -1.16 0.00 0.00 179.01 178.76 3hs2 h ALA 46 N 1.18 0.30 0.08 3.43 0.00 -1.02 0.11 119.26 123.34 3hs2 h ALA 46 Ca 0.13 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hs2 h ALA 46 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hs2 h ALA 46 CO 0.03 -0.14 -0.13 1.88 0.00 0.00 0.00 179.25 180.89 3hs2 h TYR 47 N 0.25 -0.32 -0.72 0.00 0.05 -1.13 -1.71 116.97 113.38 3hs2 h TYR 47 Ca 0.08 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.94 3hs2 h TYR 47 Cb 0.11 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 3hs2 h TYR 47 CO -0.03 -0.19 0.40 -0.22 -1.05 0.00 0.00 178.16 177.08 3hs2 h LYS 48 N -0.26 0.70 0.55 4.88 3.64 -0.85 -1.27 116.57 123.97 3hs2 h LYS 48 Ca 0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3hs2 h LYS 48 Cb 0.27 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3hs2 h LYS 48 CO -0.07 0.46 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.09 3hs2 h LYS 49 N 0.72 -0.71 -0.65 1.90 3.64 -0.55 -1.56 116.57 119.37 3hs2 h LYS 49 Ca 0.33 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.87 3hs2 h LYS 49 Cb 0.24 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3hs2 h LYS 49 CO -0.21 -0.47 0.43 0.00 -2.27 0.00 0.00 179.45 176.93 3hs2 h ALA 50 N -0.28 1.99 0.17 5.00 0.00 -0.94 0.17 119.26 125.37 3hs2 h ALA 50 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3hs2 h ALA 50 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hs2 h ALA 50 CO 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 179.25 179.15 3hs2 h ALA 51 N 1.68 -0.22 -0.60 0.00 0.00 -0.99 -1.85 119.26 117.28 3hs2 h ALA 51 Ca 0.30 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hs2 h ALA 51 Cb 0.57 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hs2 h ALA 51 CO -0.09 -0.45 0.39 -0.07 0.00 0.00 0.00 179.25 179.03 3hs2 h LEU 52 N -0.58 0.66 -0.45 0.00 3.38 -0.54 -2.80 115.31 114.99 3hs2 h LEU 52 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hs2 h LEU 52 Cb 0.44 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3hs2 h LEU 52 CO 0.04 0.48 0.20 0.44 0.09 0.00 0.00 178.44 179.69 3hs2 h ASP 53 N 0.79 0.60 -0.45 -0.43 5.19 -0.72 -1.58 116.42 119.81 3hs2 h ASP 53 Ca 0.22 -0.14 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 3hs2 h ASP 53 Cb -0.07 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.27 3hs2 h ASP 53 CO -0.06 0.57 0.07 0.00 -3.12 0.00 0.00 179.24 176.70 3hs2 h ALA 54 N 1.05 0.60 -2.16 3.45 0.00 -1.21 -2.52 119.26 118.47 3hs2 h ALA 54 Ca 0.15 -0.23 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 3hs2 h ALA 54 Cb 0.14 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 17.43 3hs2 h ALA 54 CO -0.02 0.33 -0.58 -1.83 0.00 0.00 0.00 179.25 177.15 3hs2 s GLU 55 N -5.17 0.30 0.00 0.00 -1.05 -1.07 -4.05 118.70 107.66 3hs2 s GLU 55 Ca -0.13 0.17 0.23 0.00 -0.15 0.00 0.00 54.97 55.09 3hs2 s GLU 55 Cb 0.11 -0.76 0.53 0.00 -0.44 0.00 0.00 34.13 33.58 3hs2 s GLU 55 CO 0.79 -0.81 1.45 1.97 0.95 0.00 0.00 175.26 179.61 3hs2 n PHE 56 N 5.33 0.29 -1.61 4.83 -1.74 -1.25 -4.42 117.46 118.89 3hs2 n PHE 56 Ca -0.03 -0.14 -0.01 0.00 -0.56 0.00 0.00 57.45 56.71 3hs2 n PHE 56 Cb 0.49 0.00 -0.00 0.00 1.52 0.00 0.00 39.48 41.48 3hs2 n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hs2 n ALA 57 N 1.01 -0.02 1.54 1.98 0.00 -0.60 -5.01 120.51 119.41 3hs2 n ALA 57 Ca 0.17 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.77 3hs2 n ALA 57 Cb 0.50 -0.56 0.56 0.00 0.00 0.00 0.00 19.45 19.95 3hs2 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37