#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h1h s ARG 1 N 0.00 4.68 0.10 0.03 3.52 -1.26 -4.96 118.95 121.05 1h1h s ARG 1 Ca 0.00 1.48 -0.31 0.00 -0.13 0.00 0.00 55.73 56.77 1h1h s ARG 1 Cb 0.00 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1h1h s ARG 1 CO 0.00 0.18 1.57 -1.25 -0.81 0.00 0.00 175.30 174.99 1h1h s PRO 2 N 0.06 4.22 0.55 5.12 0.04 -1.26 -4.88 135.00 138.85 1h1h s PRO 2 Ca 0.48 2.28 0.36 0.00 0.04 0.00 0.00 61.00 64.16 1h1h s PRO 2 Cb -0.24 -3.41 1.52 0.00 0.04 0.00 0.00 34.50 32.41 1h1h s PRO 2 CO 0.30 -0.65 1.77 -1.00 0.04 0.00 0.00 177.00 177.46 1h1h h PRO 3 N 7.61 0.00 0.00 0.56 0.13 -2.00 -1.60 132.00 136.69 1h1h h PRO 3 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1h1h h PRO 3 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h1h h PRO 3 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1h1h n GLN 4 N -4.04 0.17 -4.80 0.86 0.00 -1.26 -4.69 117.38 103.62 1h1h n GLN 4 Ca 0.25 0.45 -0.33 0.00 0.00 0.00 0.00 57.00 57.37 1h1h n GLN 4 Cb 1.25 -1.86 -0.13 0.00 0.00 0.00 0.00 30.24 29.51 1h1h n GLN 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1h1h s PHE 5 N -3.33 2.75 0.93 2.61 0.40 -0.60 -5.12 117.98 115.62 1h1h s PHE 5 Ca 0.03 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 1h1h s PHE 5 Cb 0.09 -1.64 0.15 0.00 0.51 0.00 0.00 43.02 42.13 1h1h s PHE 5 CO 0.35 0.23 1.16 0.95 0.70 0.00 0.00 175.22 178.61 1h1h s THR 6 N -0.77 1.97 0.22 0.64 -4.23 -1.26 -4.82 115.64 107.39 1h1h s THR 6 Ca 0.12 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1h1h s THR 6 Cb -0.11 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 71.14 1h1h s THR 6 CO 0.01 0.00 1.81 0.03 -0.54 0.00 0.00 174.62 175.93 1h1h h ARG 7 N -1.57 1.20 -0.58 3.99 3.08 -1.95 -1.89 114.38 116.66 1h1h h ARG 7 Ca -0.49 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.26 1h1h h ARG 7 Cb 1.32 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1h1h h ARG 7 CO 0.58 0.94 -0.06 0.00 -1.07 0.00 0.00 179.97 180.36 1h1h h ALA 8 N 1.21 0.79 -0.49 0.04 0.00 -1.89 -1.79 119.26 117.14 1h1h h ALA 8 Ca 0.28 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1h1h h ALA 8 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1h1h h ALA 8 CO -0.03 0.68 -0.12 1.96 0.00 0.00 0.00 179.25 181.73 1h1h h GLN 9 N 0.96 0.94 -0.09 0.00 4.20 -1.84 -2.17 115.11 117.10 1h1h h GLN 9 Ca 0.16 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 1h1h h GLN 9 Cb 0.63 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1h1h h GLN 9 CO 0.04 1.02 -0.35 2.35 -0.67 0.00 0.00 178.83 181.23 1h1h h TRP 10 N 0.79 0.20 -0.20 2.96 -0.00 -1.27 -1.50 115.95 116.94 1h1h h TRP 10 Ca 0.12 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.94 1h1h h TRP 10 Cb 0.68 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.78 1h1h h TRP 10 CO 0.05 0.51 0.04 0.35 -0.00 0.00 0.00 178.44 179.39 1h1h h PHE 11 N 0.16 0.35 -0.60 2.65 3.57 -1.10 -1.02 116.94 120.94 1h1h h PHE 11 Ca 0.02 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1h1h h PHE 11 Cb 0.69 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1h1h h PHE 11 CO 0.01 0.46 0.23 0.00 -2.23 0.00 0.00 178.31 176.78 1h1h h ALA 12 N 0.84 0.78 -0.48 2.41 0.00 -1.17 0.29 119.26 121.92 1h1h h ALA 12 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1h1h h ALA 12 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1h1h h ALA 12 CO 0.00 0.40 0.27 0.82 0.00 0.00 0.00 179.25 180.74 1h1h h ILE 13 N 0.83 1.17 0.00 0.00 2.04 -1.18 -1.87 117.51 118.50 1h1h h ILE 13 Ca 0.20 -0.42 -0.23 0.00 1.00 0.00 0.00 64.86 65.41 1h1h h ILE 13 Cb 0.22 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1h1h h ILE 13 CO -0.01 0.18 -1.15 1.56 0.00 0.00 0.00 178.15 178.72 1h1h h GLN 14 N 0.64 0.01 0.00 2.37 4.20 -0.99 -3.42 115.11 117.92 1h1h h GLN 14 Ca 0.17 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1h1h h GLN 14 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1h1h h GLN 14 CO -0.03 0.90 0.00 0.72 -0.67 0.00 0.00 178.83 179.75 1h1h n HIS 15 N -3.29 0.00 -4.23 2.96 8.25 0.10 -4.63 115.22 114.38 1h1h n HIS 15 Ca -0.04 -0.07 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 1h1h n HIS 15 Cb 0.96 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.91 1h1h n HIS 15 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1h1h s ILE 16 N -0.13 2.08 -0.30 1.59 -1.09 -0.71 -0.39 121.20 122.25 1h1h s ILE 16 Ca 0.00 -0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 57.41 1h1h s ILE 16 Cb 0.00 -1.86 0.18 0.00 -1.58 0.00 0.00 42.46 39.19 1h1h s ILE 16 CO 0.00 0.54 0.75 -0.55 -1.23 0.00 0.00 174.94 174.45 1h1h s SER 17 N 1.19 -1.06 0.12 3.58 0.15 -0.82 -4.79 113.70 112.08 1h1h s SER 17 Ca 0.03 0.82 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 1h1h s SER 17 Cb -0.14 1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 66.10 1h1h s SER 17 CO -0.11 -0.20 1.60 0.25 1.20 0.00 0.00 173.24 175.99 1h1h h LEU 18 N 7.95 0.60 -6.58 3.45 5.85 -1.78 -3.34 115.31 121.47 1h1h h LEU 18 Ca -0.19 -0.26 -0.60 0.00 0.84 0.00 0.00 57.88 57.67 1h1h h LEU 18 Cb 1.15 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.63 1h1h h LEU 18 CO 0.14 0.71 -0.85 0.59 -0.34 0.00 0.00 178.44 178.68 1h1h n ASN 19 N -4.55 0.65 -4.78 1.25 3.02 -1.26 -4.80 115.26 104.79 1h1h n ASN 19 Ca -0.01 -2.65 -0.34 0.00 -0.03 0.00 0.00 54.58 51.55 1h1h n ASN 19 Cb 0.23 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1h1h n ASN 19 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1h1h s PRO 20 N -0.46 3.29 0.38 3.52 0.02 -1.26 -5.07 135.00 135.42 1h1h s PRO 20 Ca 0.31 1.45 -0.03 0.00 0.02 0.00 0.00 61.00 62.74 1h1h s PRO 20 Cb 0.02 -2.01 0.08 0.00 0.02 0.00 0.00 34.50 32.61 1h1h s PRO 20 CO -0.19 -0.87 0.52 -0.35 -0.33 0.00 0.00 177.00 175.78 1h1h n PRO 21 N -1.65 -0.05 -1.58 5.54 -0.04 -1.26 -4.99 135.00 130.96 1h1h n PRO 21 Ca 0.10 -1.13 -0.39 0.00 -0.04 0.00 0.00 63.50 62.05 1h1h n PRO 21 Cb 0.52 -0.43 0.04 0.00 -0.04 0.00 0.00 33.50 33.59 1h1h n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1h1h n ARG 22 N -2.02 0.92 -0.30 0.54 1.74 -1.26 -4.69 116.66 111.59 1h1h n ARG 22 Ca 0.08 0.35 -0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1h1h n ARG 22 Cb 0.27 -2.05 0.12 0.00 -1.02 0.00 0.00 32.46 29.79 1h1h n ARG 22 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h1h h THR 24 N 0.96 0.89 0.13 0.00 2.02 -1.90 -1.10 112.91 113.91 1h1h h THR 24 Ca 0.35 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 67.21 1h1h h THR 24 Cb 0.12 0.47 0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1h1h h THR 24 CO -0.15 0.07 -0.88 0.40 0.37 0.00 0.00 175.52 175.33 1h1h h ILE 25 N 0.39 1.44 -0.63 3.11 2.04 -1.72 -3.34 117.51 118.79 1h1h h ILE 25 Ca 0.27 -2.50 -0.05 0.00 1.00 0.00 0.00 64.86 63.58 1h1h h ILE 25 Cb 0.55 3.12 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 1h1h h ILE 25 CO -0.07 0.70 0.20 0.00 0.00 0.00 0.00 178.15 178.98 1h1h h ALA 26 N 0.04 1.16 0.00 1.87 0.00 -0.99 -3.07 119.26 118.27 1h1h h ALA 26 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1h1h h ALA 26 Cb 1.62 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1h1h h ALA 26 CO 0.12 0.58 0.00 0.52 0.00 0.00 0.00 179.25 180.48 1h1h h MET 27 N 0.93 0.00 -0.73 0.00 2.86 -1.37 -3.32 114.93 113.31 1h1h h MET 27 Ca 0.21 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 1h1h h MET 27 Cb 0.27 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.86 1h1h h MET 27 CO -0.01 0.00 0.39 0.00 1.06 0.00 0.00 176.91 178.35 1h1h h ARG 28 N 0.00 0.65 -0.19 1.72 3.08 -1.66 -0.47 114.38 117.51 1h1h h ARG 28 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1h1h h ARG 28 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1h1h h ARG 28 CO 0.00 0.43 -0.11 0.00 -1.07 0.00 0.00 179.97 179.22 1h1h h ALA 29 N 1.42 1.46 0.03 0.04 0.00 -1.79 -1.96 119.26 118.45 1h1h h ALA 29 Ca 0.35 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1h1h h ALA 29 Cb 0.32 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1h1h h ALA 29 CO -0.24 0.38 -0.66 0.82 0.00 0.00 0.00 179.25 179.55 1h1h h ILE 30 N 0.29 1.44 0.00 0.00 2.04 -1.53 -3.28 117.51 116.48 1h1h h ILE 30 Ca 0.06 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.74 1h1h h ILE 30 Cb 0.38 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1h1h h ILE 30 CO 0.02 0.63 0.00 0.78 0.00 0.00 0.00 178.15 179.58 1h1h h ASN 31 N -0.15 0.00 -0.45 1.72 2.35 -0.99 -3.06 115.58 115.00 1h1h h ASN 31 Ca -0.09 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1h1h h ASN 31 Cb 1.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 1h1h h ASN 31 CO 0.13 0.00 0.30 -1.13 -1.65 0.00 0.00 177.43 175.08 1h1h h ASN 32 N 0.00 0.28 -0.60 5.81 -0.73 -1.41 -1.78 115.58 117.14 1h1h h ASN 32 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1h1h h ASN 32 Cb 0.49 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.02 1h1h h ASN 32 CO 0.00 0.18 0.00 -1.22 -0.37 0.00 0.00 177.43 176.02 1h1h n TYR 33 N -4.47 1.20 -4.26 0.67 4.01 -1.16 -4.97 117.16 108.19 1h1h n TYR 33 Ca 0.06 -0.50 -0.25 0.00 -0.16 0.00 0.00 57.90 57.04 1h1h n TYR 33 Cb 0.29 -0.16 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1h1h n TYR 33 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1h1h s ARG 34 N -1.62 2.16 -0.08 -0.72 0.52 -0.67 -4.94 118.95 113.60 1h1h s ARG 34 Ca 0.45 -1.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1h1h s ARG 34 Cb 0.27 -1.90 -0.25 0.00 0.52 0.00 0.00 34.95 33.59 1h1h s ARG 34 CO 0.24 -0.09 0.52 2.35 0.02 0.00 0.00 175.30 178.34 1h1h h TRP 35 N 1.52 0.32 -3.89 -0.53 2.91 -1.93 -3.48 115.95 110.88 1h1h h TRP 35 Ca -0.43 -0.24 -0.34 0.00 1.13 0.00 0.00 58.89 59.02 1h1h h TRP 35 Cb 1.25 -0.01 -0.20 0.00 -0.51 0.00 0.00 29.16 29.68 1h1h h TRP 35 CO 0.66 1.48 -0.75 1.03 -1.03 0.00 0.00 178.44 179.83 1h1h s ARG 36 N -2.58 0.73 0.41 2.65 1.81 -1.26 -4.80 118.95 115.91 1h1h s ARG 36 Ca -0.15 -0.95 -0.26 0.00 -1.72 0.00 0.00 55.73 52.65 1h1h s ARG 36 Cb 0.07 -0.56 -0.09 0.00 -0.45 0.00 0.00 34.95 33.92 1h1h s ARG 36 CO 0.80 0.11 1.39 0.00 -0.68 0.00 0.00 175.30 176.92 1h1h s LYS 38 N -2.24 4.24 0.21 0.00 2.20 -1.26 -4.92 119.74 117.97 1h1h s LYS 38 Ca 0.57 2.32 -0.02 0.00 -0.36 0.00 0.00 55.97 58.48 1h1h s LYS 38 Cb -0.42 -3.15 0.19 0.00 -1.51 0.00 0.00 37.83 32.94 1h1h s LYS 38 CO 0.55 -0.53 1.58 -0.97 -0.36 0.00 0.00 175.35 175.62 1h1h h ASN 39 N 6.19 0.63 -3.91 1.43 -0.73 -1.94 -3.42 115.58 113.83 1h1h h ASN 39 Ca -0.44 -0.28 -0.11 0.00 1.87 0.00 0.00 56.30 57.34 1h1h h ASN 39 Cb 1.21 -0.18 -0.24 0.00 0.27 0.00 0.00 38.32 39.39 1h1h h ASN 39 CO 0.86 0.96 -0.18 -1.58 -0.37 0.00 0.00 177.43 177.13 1h1h s GLN 40 N -4.24 0.54 -0.10 6.67 2.00 -1.26 -1.80 119.66 121.46 1h1h s GLN 40 Ca -0.08 0.63 -0.09 0.00 -2.00 0.00 0.00 55.36 53.83 1h1h s GLN 40 Cb 0.12 0.26 0.03 0.00 0.80 0.00 0.00 33.01 34.22 1h1h s GLN 40 CO 0.83 -0.06 0.27 1.21 -0.50 0.00 0.00 175.29 177.03 1h1h s ASN 41 N 0.24 -0.28 -0.10 6.67 2.47 -0.85 -5.01 114.94 118.08 1h1h s ASN 41 Ca -0.00 0.55 0.03 0.00 0.42 0.00 0.00 52.86 53.85 1h1h s ASN 41 Cb -0.03 0.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.30 1h1h s ASN 41 CO 0.01 -0.10 -0.19 -0.89 -3.72 0.00 0.00 177.10 172.21 1h1h s THR 42 N 0.21 2.58 -0.18 -5.21 2.01 -1.26 -0.10 115.64 113.69 1h1h s THR 42 Ca -0.01 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1h1h s THR 42 Cb -0.02 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1h1h s THR 42 CO -0.00 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.11 1h1h s PHE 43 N 0.12 3.05 -0.14 4.92 0.08 0.06 -4.45 117.98 121.62 1h1h s PHE 43 Ca -0.09 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.40 1h1h s PHE 43 Cb -0.15 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1h1h s PHE 43 CO 0.06 -0.12 0.65 -0.51 -0.10 0.00 0.00 175.22 175.20 1h1h s LEU 44 N 0.67 4.22 -1.24 -0.37 1.43 0.48 -1.40 118.68 122.47 1h1h s LEU 44 Ca -0.01 0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1h1h s LEU 44 Cb -0.14 -2.95 0.15 0.00 0.03 0.00 0.00 46.19 43.27 1h1h s LEU 44 CO 0.02 -0.19 1.52 0.54 0.23 0.00 0.00 176.35 178.47 1h1h n ARG 45 N 4.45 3.33 -1.03 1.70 1.74 -0.62 -1.94 116.66 124.29 1h1h n ARG 45 Ca -0.02 -3.70 0.00 0.00 -0.77 0.00 0.00 57.85 53.36 1h1h n ARG 45 Cb 0.50 -3.15 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1h1h n ARG 45 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1h1h n THR 46 N 5.00 0.00 -4.26 0.55 5.66 -1.26 -4.61 114.28 115.36 1h1h n THR 46 Ca 0.40 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.14 1h1h n THR 46 Cb 0.43 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 1h1h n THR 46 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1h1h s THR 47 N -2.64 3.39 0.25 1.09 -4.23 -1.26 -3.87 115.64 108.37 1h1h s THR 47 Ca 0.00 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1h1h s THR 47 Cb 0.00 -2.71 0.24 0.00 1.34 0.00 0.00 72.50 71.37 1h1h s THR 47 CO 0.00 -0.14 1.85 0.15 -0.54 0.00 0.00 174.62 175.94 1h1h h PHE 48 N 2.71 1.04 -0.90 3.99 3.57 -1.99 -1.76 116.94 123.61 1h1h h PHE 48 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.13 1h1h h PHE 48 Cb 1.21 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 1h1h h PHE 48 CO 0.65 0.50 0.59 0.00 -2.23 0.00 0.00 178.31 177.81 1h1h h ALA 49 N 1.44 1.51 -0.20 2.41 0.00 -2.00 -1.90 119.26 120.52 1h1h h ALA 49 Ca 0.41 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1h1h h ALA 49 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h1h h ALA 49 CO -0.20 0.36 -0.39 -0.91 0.00 0.00 0.00 179.25 178.12 1h1h h ASN 50 N 1.03 0.47 -0.23 0.00 -0.26 -1.73 -2.88 115.58 111.98 1h1h h ASN 50 Ca 0.38 -0.20 -0.17 0.00 -0.56 0.00 0.00 56.30 55.75 1h1h h ASN 50 Cb 0.18 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1h1h h ASN 50 CO -0.14 0.81 -0.51 0.58 -1.06 0.00 0.00 177.43 177.11 1h1h h VAL 51 N 0.37 1.28 -0.73 2.81 2.07 -1.20 -2.90 116.25 117.95 1h1h h VAL 51 Ca 0.04 -1.70 0.08 0.00 0.82 0.00 0.00 66.70 65.93 1h1h h VAL 51 Cb 0.85 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1h1h h VAL 51 CO 0.07 0.55 0.48 0.58 0.02 0.00 0.00 177.57 179.27 1h1h h VAL 52 N 0.64 0.98 -0.38 2.57 2.07 -1.24 -1.16 116.25 119.73 1h1h h VAL 52 Ca 0.02 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 1h1h h VAL 52 Cb 1.10 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1h1h h VAL 52 CO 0.11 0.13 -0.25 0.78 0.02 0.00 0.00 177.57 178.36 1h1h h ASN 53 N 0.71 0.79 -0.14 0.57 2.35 -1.32 -2.35 115.58 116.19 1h1h h ASN 53 Ca 0.33 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1h1h h ASN 53 Cb 0.35 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1h1h h ASN 53 CO -0.11 1.01 0.01 0.58 -1.65 0.00 0.00 177.43 177.27 1h1h h VAL 54 N 0.67 1.14 -0.75 2.81 2.07 -1.05 -1.89 116.25 119.25 1h1h h VAL 54 Ca 0.09 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1h1h h VAL 54 Cb 0.77 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1h1h h VAL 54 CO 0.06 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.24 1h1h n GLY 56 N -1.21 -0.78 0.00 0.00 0.00 -0.71 -4.85 105.19 97.65 1h1h n GLY 56 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h1h n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h1h n ASN 57 N -0.62 0.07 -4.57 1.61 2.04 -1.02 -5.03 115.26 107.75 1h1h n ASN 57 Ca 0.05 -0.68 -0.52 0.00 -0.44 0.00 0.00 54.58 52.98 1h1h n ASN 57 Cb 0.02 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.21 1h1h n ASN 57 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1h1h n GLN 58 N -0.66 0.92 -3.37 -3.83 1.13 -1.26 -4.95 117.38 105.35 1h1h n GLN 58 Ca 0.00 0.33 -0.35 0.00 -1.94 0.00 0.00 57.00 55.04 1h1h n GLN 58 Cb 0.00 -1.89 -0.06 0.00 0.11 0.00 0.00 30.24 28.40 1h1h n GLN 58 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1h1h s SER 59 N 0.23 6.81 0.13 1.08 0.15 -1.26 -4.58 113.70 116.26 1h1h s SER 59 Ca 0.82 1.06 -0.06 0.00 0.70 0.00 0.00 55.95 58.47 1h1h s SER 59 Cb -0.98 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.03 1h1h s SER 59 CO 0.50 0.10 0.17 0.27 1.20 0.00 0.00 173.24 175.49 1h1h s ILE 60 N -1.46 0.11 0.19 6.45 -4.36 -0.18 -4.99 121.20 116.95 1h1h s ILE 60 Ca 0.38 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.95 1h1h s ILE 60 Cb -0.15 -1.75 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 1h1h s ILE 60 CO 0.19 -0.49 1.11 -0.13 0.24 0.00 0.00 174.94 175.86 1h1h s ARG 61 N -3.96 4.59 -0.04 0.37 0.52 -1.26 -1.89 118.95 117.27 1h1h s ARG 61 Ca 0.15 1.74 -0.30 0.00 -0.52 0.00 0.00 55.73 56.81 1h1h s ARG 61 Cb 0.05 -3.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.20 1h1h s ARG 61 CO -0.03 0.07 1.69 0.00 0.02 0.00 0.00 175.30 177.06 1h1h h PRO 63 N 9.64 0.05 0.00 0.00 0.11 -1.93 0.23 132.00 140.11 1h1h h PRO 63 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1h1h h PRO 63 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1h1h h PRO 63 CO 0.95 0.04 0.00 0.72 -0.21 0.00 0.00 178.00 179.50 1h1h n HIS 64 N -5.41 0.00 -2.81 0.65 8.25 -1.26 -4.38 115.22 110.25 1h1h n HIS 64 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.55 1h1h n HIS 64 Cb 0.46 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.16 1h1h n HIS 64 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1h1h s ASN 65 N -2.83 -1.42 0.10 0.41 3.04 -0.09 -5.02 114.94 109.14 1h1h s ASN 65 Ca 0.20 -1.66 0.07 0.00 0.04 0.00 0.00 52.86 51.50 1h1h s ASN 65 Cb 0.19 1.88 0.37 0.00 -1.54 0.00 0.00 41.25 42.15 1h1h s ASN 65 CO 0.50 -0.06 1.20 0.54 -3.04 0.00 0.00 177.10 176.23 1h1h n ARG 66 N 3.09 0.04 0.17 0.43 1.74 -0.30 -1.60 116.66 120.23 1h1h n ARG 66 Ca 0.17 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.92 1h1h n ARG 66 Cb 0.56 -1.66 0.48 0.00 -1.02 0.00 0.00 32.46 30.82 1h1h n ARG 66 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1h1h h THR 67 N 0.00 0.00 -3.63 0.55 1.35 -1.96 -3.43 112.91 105.80 1h1h h THR 67 Ca 0.00 -0.44 -0.62 0.00 -0.55 0.00 0.00 66.41 64.80 1h1h h THR 67 Cb 0.03 1.33 -0.15 0.00 -1.73 0.00 0.00 68.15 67.63 1h1h h THR 67 CO 0.00 0.00 -0.45 -0.76 -0.25 0.00 0.00 175.52 174.06 1h1h s LEU 68 N -5.08 4.10 -0.64 3.87 1.02 -0.63 -4.98 118.68 116.34 1h1h s LEU 68 Ca 0.05 0.15 0.01 0.00 0.02 0.00 0.00 54.13 54.37 1h1h s LEU 68 Cb 0.09 -2.18 0.40 0.00 0.02 0.00 0.00 46.19 44.52 1h1h s LEU 68 CO 0.51 0.01 1.65 -3.20 0.02 0.00 0.00 176.35 175.34 1h1h n ASN 69 N 4.49 6.40 -0.28 2.29 5.15 -1.26 -1.02 115.26 131.03 1h1h n ASN 69 Ca -0.14 -3.79 0.08 0.00 -0.60 0.00 0.00 54.58 50.14 1h1h n ASN 69 Cb 0.52 -0.79 0.13 0.00 -0.53 0.00 0.00 39.78 39.11 1h1h n ASN 69 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1h1h n ASN 70 N -0.59 1.88 -4.95 1.20 3.02 -1.24 -4.58 115.26 110.00 1h1h n ASN 70 Ca 0.49 -3.07 -0.25 0.00 -0.03 0.00 0.00 54.58 51.72 1h1h n ASN 70 Cb 0.50 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1h1h n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h1h s HIS 72 N -1.83 -0.15 -0.06 0.00 3.76 0.10 -1.01 115.29 116.10 1h1h s HIS 72 Ca 0.35 0.45 -0.08 0.00 -0.15 0.00 0.00 55.06 55.63 1h1h s HIS 72 Cb -0.10 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 1h1h s HIS 72 CO 0.29 -0.15 0.21 0.50 -0.85 0.00 0.00 174.74 174.74 1h1h s ARG 73 N 1.03 3.55 0.60 1.40 3.52 -1.26 -1.62 118.95 126.16 1h1h s ARG 73 Ca -0.08 -0.05 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 1h1h s ARG 73 Cb -0.10 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1h1h s ARG 73 CO -0.05 0.73 1.12 -1.54 -0.81 0.00 0.00 175.30 174.75 1h1h s SER 74 N -1.27 5.41 0.12 -2.12 1.04 -0.48 -4.95 113.70 111.45 1h1h s SER 74 Ca 0.20 2.08 0.07 0.00 0.48 0.00 0.00 55.95 58.79 1h1h s SER 74 Cb -0.13 -2.57 -0.21 0.00 0.10 0.00 0.00 66.02 63.21 1h1h s SER 74 CO 0.10 -1.42 1.26 0.08 0.98 0.00 0.00 173.24 174.24 1h1h h ARG 75 N 0.60 0.00 -6.38 4.02 0.11 -1.98 -3.44 114.38 107.31 1h1h h ARG 75 Ca -0.48 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 58.98 1h1h h ARG 75 Cb 1.25 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.19 1h1h h ARG 75 CO 0.55 0.99 -0.75 -0.06 0.10 0.00 0.00 179.97 180.80 1h1h s PHE 76 N -2.71 2.43 0.26 4.08 2.99 -1.26 -5.10 117.98 118.68 1h1h s PHE 76 Ca 0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 56.93 56.34 1h1h s PHE 76 Cb 0.10 -1.13 -0.09 0.00 0.00 0.00 0.00 43.02 41.90 1h1h s PHE 76 CO 0.82 0.59 0.99 1.03 -0.00 0.00 0.00 175.22 178.66 1h1h s ARG 77 N -3.13 4.76 0.05 0.44 0.52 -1.26 -4.52 118.95 115.80 1h1h s ARG 77 Ca 0.26 1.58 0.08 0.00 -0.52 0.00 0.00 55.73 57.14 1h1h s ARG 77 Cb -0.07 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1h1h s ARG 77 CO 0.14 0.39 -0.24 0.54 0.02 0.00 0.00 175.30 176.16 1h1h s VAL 78 N -1.21 1.93 0.46 3.52 0.11 0.13 -4.82 120.40 120.52 1h1h s VAL 78 Ca 0.43 -1.34 -0.24 0.00 -2.93 0.00 0.00 61.98 57.91 1h1h s VAL 78 Cb -0.27 -1.67 -0.07 0.00 -1.53 0.00 0.00 36.38 32.84 1h1h s VAL 78 CO 0.34 0.26 1.26 -2.16 -3.33 0.00 0.00 175.10 171.48 1h1h s PRO 79 N -1.29 3.68 0.16 1.54 0.04 -1.26 -2.37 135.00 135.50 1h1h s PRO 79 Ca 0.10 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.17 1h1h s PRO 79 Cb -0.09 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1h1h s PRO 79 CO 0.02 -0.69 0.00 -0.51 0.04 0.00 0.00 177.00 175.87 1h1h s LEU 80 N -2.93 2.12 -0.18 -3.56 1.43 -0.12 -1.59 118.68 113.85 1h1h s LEU 80 Ca 0.63 -1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1h1h s LEU 80 Cb -0.35 -0.01 0.05 0.00 0.03 0.00 0.00 46.19 45.91 1h1h s LEU 80 CO 0.43 -0.58 -0.03 -0.22 0.23 0.00 0.00 176.35 176.18 1h1h s LEU 81 N -3.14 1.59 -0.06 1.79 2.96 -0.49 -1.98 118.68 119.34 1h1h s LEU 81 Ca 0.22 -0.73 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 1h1h s LEU 81 Cb 0.06 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.85 1h1h s LEU 81 CO 0.03 -0.22 0.42 -1.00 -1.32 0.00 0.00 176.35 174.25 1h1h s HIS 82 N 1.67 3.62 -0.26 5.38 3.76 0.62 -0.76 115.29 129.32 1h1h s HIS 82 Ca -0.00 0.91 -0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1h1h s HIS 82 Cb -0.16 -2.39 0.02 0.00 1.11 0.00 0.00 32.58 31.16 1h1h s HIS 82 CO -0.07 0.43 -0.01 0.00 -0.85 0.00 0.00 174.74 174.23 1h1h s ASP 84 N 1.39 5.00 0.17 0.00 1.01 -0.64 -2.00 116.67 121.60 1h1h s ASP 84 Ca 0.01 -0.14 -0.31 0.00 0.71 0.00 0.00 52.55 52.82 1h1h s ASP 84 Cb -0.17 -1.86 -0.09 0.00 1.01 0.00 0.00 42.92 41.82 1h1h s ASP 84 CO -0.02 0.09 1.39 -0.22 0.21 0.00 0.00 175.17 176.61 1h1h s LEU 85 N 0.88 4.39 -0.17 1.23 2.96 -0.75 -0.44 118.68 126.78 1h1h s LEU 85 Ca 0.01 2.43 -0.09 0.00 -0.22 0.00 0.00 54.13 56.27 1h1h s LEU 85 Cb -0.14 -3.60 -0.22 0.00 0.50 0.00 0.00 46.19 42.73 1h1h s LEU 85 CO 0.02 -0.63 0.18 -0.38 -1.32 0.00 0.00 176.35 174.22 1h1h n ILE 86 N 3.25 1.67 -3.40 6.68 5.41 -0.66 -4.70 119.36 127.61 1h1h n ILE 86 Ca 0.09 -0.50 -0.43 0.00 1.00 0.00 0.00 62.75 62.91 1h1h n ILE 86 Cb 0.42 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.58 1h1h n ILE 86 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1h1h n ASN 87 N -3.68 5.23 -4.67 4.38 6.94 -1.26 -5.04 115.26 117.15 1h1h n ASN 87 Ca -0.36 -3.08 -0.43 0.00 -0.02 0.00 0.00 54.58 50.69 1h1h n ASN 87 Cb 0.96 -1.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.06 1h1h n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1h1h s PRO 88 N -1.39 4.29 0.00 -0.53 0.04 -1.26 -3.50 135.00 132.65 1h1h s PRO 88 Ca 0.30 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1h1h s PRO 88 Cb -0.08 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1h1h s PRO 88 CO -0.08 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1h1h n GLY 89 N 3.43 1.65 0.00 0.56 0.00 -1.26 -4.85 105.19 104.72 1h1h n GLY 89 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1h1h n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h1h n ALA 90 N 0.42 0.00 -1.70 4.61 0.00 -1.23 -4.89 120.51 117.72 1h1h n ALA 90 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1h1h n ALA 90 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1h1h n ALA 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1h1h n GLN 91 N 0.00 1.07 -0.77 0.00 6.02 -1.26 -4.97 117.38 117.47 1h1h n GLN 91 Ca 0.00 0.42 -0.33 0.00 -0.01 0.00 0.00 57.00 57.08 1h1h n GLN 91 Cb 0.00 -2.45 0.13 0.00 1.02 0.00 0.00 30.24 28.94 1h1h n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h1h n ASN 92 N -1.63 -2.36 0.00 1.08 4.13 -1.26 -4.81 115.26 110.41 1h1h n ASN 92 Ca 0.15 0.17 0.03 0.00 1.68 0.00 0.00 54.58 56.62 1h1h n ASN 92 Cb 0.48 -1.10 0.20 0.00 -1.54 0.00 0.00 39.78 37.82 1h1h n ASN 92 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h1h n ILE 93 N -3.81 0.00 -0.03 2.41 3.06 -1.26 -2.07 119.36 117.65 1h1h n ILE 93 Ca 0.04 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.33 1h1h n ILE 93 Cb 0.57 -0.44 -0.15 0.00 0.54 0.00 0.00 39.64 40.17 1h1h n ILE 93 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1h1h n SER 94 N -0.70 0.63 -3.03 9.51 3.41 -1.26 -4.66 113.62 117.52 1h1h n SER 94 Ca 0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.41 1h1h n SER 94 Cb 0.02 1.58 -0.04 0.00 -0.26 0.00 0.00 64.21 65.51 1h1h n SER 94 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h1h n ASN 95 N -2.32 3.44 -4.77 4.04 4.13 -0.88 -5.07 115.26 113.82 1h1h n ASN 95 Ca -0.11 -3.49 -0.37 0.00 1.68 0.00 0.00 54.58 52.29 1h1h n ASN 95 Cb 0.68 -0.58 -0.07 0.00 -1.54 0.00 0.00 39.78 38.27 1h1h n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1h1h s ARG 97 N -0.10 2.36 0.15 0.00 0.52 -1.26 -4.91 118.95 115.72 1h1h s ARG 97 Ca 0.19 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 1h1h s ARG 97 Cb -0.14 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 1h1h s ARG 97 CO 0.07 0.58 -0.21 0.71 0.02 0.00 0.00 175.30 176.48 1h1h s TYR 98 N -0.93 1.94 -0.08 -0.53 1.51 -1.26 -1.65 117.35 116.35 1h1h s TYR 98 Ca 0.15 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1h1h s TYR 98 Cb -0.11 -0.99 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1h1h s TYR 98 CO 0.06 0.34 0.14 0.00 -1.11 0.00 0.00 175.55 174.98 1h1h s ALA 99 N -1.70 3.86 -0.12 3.71 0.00 0.42 -4.51 121.76 123.41 1h1h s ALA 99 Ca 0.14 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1h1h s ALA 99 Cb -0.07 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 1h1h s ALA 99 CO 0.07 0.66 0.32 -0.51 0.00 0.00 0.00 175.76 176.30 1h1h s ASP 100 N -1.29 6.53 -0.17 0.00 1.01 -1.26 -1.62 116.67 119.86 1h1h s ASP 100 Ca 0.19 0.62 -0.05 0.00 0.71 0.00 0.00 52.55 54.02 1h1h s ASP 100 Cb -0.12 -2.20 0.06 0.00 1.01 0.00 0.00 42.92 41.67 1h1h s ASP 100 CO 0.08 0.15 0.08 -0.60 0.21 0.00 0.00 175.17 175.10 1h1h s ARG 101 N 0.11 0.13 0.65 8.23 3.52 -0.26 -5.00 118.95 126.33 1h1h s ARG 101 Ca 0.19 -0.12 -0.15 0.00 -0.13 0.00 0.00 55.73 55.52 1h1h s ARG 101 Cb -0.14 -1.86 -0.01 0.00 -1.56 0.00 0.00 34.95 31.39 1h1h s ARG 101 CO 0.06 -0.66 1.09 -2.14 -0.81 0.00 0.00 175.30 172.84 1h1h s PRO 102 N 2.11 2.93 0.29 5.12 0.02 -1.26 -0.27 135.00 143.93 1h1h s PRO 102 Ca 0.02 1.28 -0.19 0.00 0.02 0.00 0.00 61.00 62.13 1h1h s PRO 102 Cb -0.16 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.44 1h1h s PRO 102 CO -0.09 -1.13 0.86 0.20 -0.33 0.00 0.00 177.00 176.51 1h1h s GLY 103 N -2.80 0.16 -0.28 0.52 0.00 -0.84 -4.86 107.32 99.22 1h1h s GLY 103 Ca 0.65 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.81 1h1h s GLY 103 CO 0.42 0.46 0.59 -1.60 0.00 0.00 0.00 173.10 172.97 1h1h s ARG 104 N -2.65 0.52 0.23 2.90 3.52 -1.26 -0.95 118.95 121.27 1h1h s ARG 104 Ca 0.16 1.31 -0.21 0.00 -0.13 0.00 0.00 55.73 56.86 1h1h s ARG 104 Cb -0.04 0.70 0.07 0.00 -1.56 0.00 0.00 34.95 34.12 1h1h s ARG 104 CO 0.08 -0.26 0.99 -0.98 -0.81 0.00 0.00 175.30 174.32 1h1h s ARG 105 N 2.83 1.52 0.59 5.12 1.70 -1.00 -4.86 118.95 124.85 1h1h s ARG 105 Ca -0.02 -0.98 -0.15 0.00 -0.47 0.00 0.00 55.73 54.11 1h1h s ARG 105 Cb -0.12 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.63 1h1h s ARG 105 CO -0.18 -0.71 1.03 -0.06 -1.08 0.00 0.00 175.30 174.30 1h1h s PHE 106 N -2.14 3.25 0.13 5.89 0.08 -0.64 -0.69 117.98 123.85 1h1h s PHE 106 Ca 0.21 1.45 0.06 0.00 0.12 0.00 0.00 56.93 58.77 1h1h s PHE 106 Cb -0.03 -2.88 -0.04 0.00 -0.57 0.00 0.00 43.02 39.50 1h1h s PHE 106 CO 0.07 -0.83 -0.14 1.52 -0.10 0.00 0.00 175.22 175.74 1h1h s TYR 107 N -2.70 1.42 -0.15 0.36 1.13 -1.26 -1.17 117.35 114.97 1h1h s TYR 107 Ca 0.60 -0.58 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 1h1h s TYR 107 Cb -0.13 -0.73 0.03 0.00 -1.10 0.00 0.00 41.96 40.03 1h1h s TYR 107 CO 0.40 0.16 -0.12 0.08 -2.51 0.00 0.00 175.55 173.56 1h1h s VAL 108 N -2.35 1.45 0.13 -3.49 1.01 0.16 -1.38 120.40 115.94 1h1h s VAL 108 Ca 0.11 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1h1h s VAL 108 Cb -0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1h1h s VAL 108 CO 0.03 0.37 -0.17 0.68 0.00 0.00 0.00 175.10 176.01 1h1h s VAL 109 N 1.52 2.84 -0.15 2.92 -7.23 -0.64 -0.57 120.40 119.10 1h1h s VAL 109 Ca 0.04 -1.58 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 1h1h s VAL 109 Cb -0.13 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1h1h s VAL 109 CO -0.10 0.05 0.16 0.00 -0.31 0.00 0.00 175.10 174.89 1h1h s ALA 110 N -1.28 3.79 0.11 1.32 0.00 -0.16 -0.72 121.76 124.82 1h1h s ALA 110 Ca 0.19 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.62 1h1h s ALA 110 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1h1h s ALA 110 CO 0.11 0.42 -0.24 0.00 0.00 0.00 0.00 175.76 176.05 1h1h s ASP 112 N -1.94 0.81 0.45 0.00 2.15 -0.26 -4.89 116.67 112.99 1h1h s ASP 112 Ca 0.10 -1.48 -0.24 0.00 0.43 0.00 0.00 52.55 51.36 1h1h s ASP 112 Cb -0.10 0.54 -0.07 0.00 -0.30 0.00 0.00 42.92 42.99 1h1h s ASP 112 CO 0.05 -1.07 1.27 0.20 -0.17 0.00 0.00 175.17 175.44 1h1h s ASN 113 N -3.23 6.05 0.84 -0.34 0.01 -1.26 -1.27 114.94 115.75 1h1h s ASN 113 Ca 0.35 2.56 -0.11 0.00 -0.71 0.00 0.00 52.86 54.95 1h1h s ASN 113 Cb 0.03 -2.63 0.10 0.00 0.41 0.00 0.00 41.25 39.16 1h1h s ASN 113 CO 0.19 -1.02 1.14 0.00 -1.51 0.00 0.00 177.10 175.90 1h1h s ARG 114 N -2.52 1.58 0.32 -0.60 1.70 -0.19 -4.78 118.95 114.46 1h1h s ARG 114 Ca 0.62 1.47 -0.11 0.00 -0.47 0.00 0.00 55.73 57.24 1h1h s ARG 114 Cb -0.35 -1.80 -0.07 0.00 -0.57 0.00 0.00 34.95 32.16 1h1h s ARG 114 CO 0.44 -2.20 0.68 0.34 -1.08 0.00 0.00 175.30 173.48 1h1h s ASP 115 N -2.79 6.62 0.54 -2.89 2.15 -1.26 -4.96 116.67 114.08 1h1h s ASP 115 Ca 0.66 1.08 0.26 0.00 0.43 0.00 0.00 52.55 54.98 1h1h s ASP 115 Cb -0.22 -2.29 1.43 0.00 -0.30 0.00 0.00 42.92 41.54 1h1h s ASP 115 CO 0.55 -0.24 2.00 1.55 -0.17 0.00 0.00 175.17 178.86 1h1h h PRO 116 N 1.92 0.00 0.00 4.34 0.13 -2.00 0.99 132.00 137.38 1h1h h PRO 116 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h1h h PRO 116 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h1h h PRO 116 CO 0.66 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.97 1h1h n ARG 117 N -4.25 0.18 -1.84 0.86 1.74 -1.26 -4.85 116.66 107.24 1h1h n ARG 117 Ca 0.09 0.18 -0.30 0.00 -0.77 0.00 0.00 57.85 57.05 1h1h n ARG 117 Cb 0.58 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 30.37 1h1h n ARG 117 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h1h s ASP 118 N -4.06 4.86 0.20 0.55 1.01 0.34 -5.00 116.67 114.57 1h1h s ASP 118 Ca 0.11 1.00 -0.31 0.00 0.71 0.00 0.00 52.55 54.06 1h1h s ASP 118 Cb 0.14 -1.66 -0.10 0.00 1.01 0.00 0.00 42.92 42.31 1h1h s ASP 118 CO 0.55 -1.70 1.46 -0.55 0.21 0.00 0.00 175.17 175.13 1h1h s SER 119 N -4.38 6.68 0.08 0.27 0.15 -1.26 -4.89 113.70 110.35 1h1h s SER 119 Ca 0.60 2.58 0.17 0.00 0.70 0.00 0.00 55.95 60.01 1h1h s SER 119 Cb -0.12 -2.61 0.71 0.00 -1.71 0.00 0.00 66.02 62.30 1h1h s SER 119 CO 0.51 -0.72 1.52 -0.81 1.20 0.00 0.00 173.24 174.95 1h1h n PRO 120 N 3.04 0.06 -0.23 5.44 -0.04 -1.26 -2.86 135.00 139.15 1h1h n PRO 120 Ca 0.09 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.85 1h1h n PRO 120 Cb 0.40 -1.62 0.19 0.00 -0.04 0.00 0.00 33.50 32.43 1h1h n PRO 120 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1h1h h ARG 121 N 0.00 1.03 -4.48 0.54 2.43 -2.03 -3.37 114.38 108.50 1h1h h ARG 121 Ca 0.00 -0.11 -0.70 0.00 -0.81 0.00 0.00 59.98 58.35 1h1h h ARG 121 Cb 0.27 -0.21 -0.32 0.00 -0.42 0.00 0.00 29.97 29.30 1h1h h ARG 121 CO 0.00 0.76 -0.52 0.71 -1.51 0.00 0.00 179.97 179.41 1h1h s TYR 122 N -5.69 3.45 0.27 2.20 2.02 -1.13 -4.96 117.35 113.51 1h1h s TYR 122 Ca -0.11 -2.01 -0.01 0.00 -0.37 0.00 0.00 57.07 54.56 1h1h s TYR 122 Cb 0.17 -3.04 0.36 0.00 -0.40 0.00 0.00 41.96 39.05 1h1h s TYR 122 CO 0.80 -0.92 1.77 -1.00 -1.57 0.00 0.00 175.55 174.63 1h1h h PRO 123 N 8.20 0.76 -5.28 -1.71 0.13 -1.83 -3.42 132.00 128.85 1h1h h PRO 123 Ca -0.18 -0.20 -0.67 0.00 -0.87 0.00 0.00 66.00 64.08 1h1h h PRO 123 Cb 1.06 -0.09 -0.32 0.00 0.13 0.00 0.00 31.00 31.78 1h1h h PRO 123 CO 0.72 0.77 -0.85 0.08 -0.23 0.00 0.00 178.00 178.49 1h1h s VAL 124 N -4.97 2.26 0.15 1.56 1.01 -1.26 -1.02 120.40 118.13 1h1h s VAL 124 Ca -0.09 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1h1h s VAL 124 Cb 0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1h1h s VAL 124 CO 0.81 0.55 -0.11 0.68 0.00 0.00 0.00 175.10 177.02 1h1h s VAL 125 N 0.55 1.29 0.17 2.92 -7.23 -0.39 -4.93 120.40 112.78 1h1h s VAL 125 Ca -0.13 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 1h1h s VAL 125 Cb -0.17 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 1h1h s VAL 125 CO 0.04 -0.67 1.03 -2.16 -0.31 0.00 0.00 175.10 173.02 1h1h s PRO 126 N -3.57 4.67 0.00 4.82 0.04 -1.26 -1.10 135.00 138.60 1h1h s PRO 126 Ca 0.17 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1h1h s PRO 126 Cb 0.01 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1h1h s PRO 126 CO 0.02 0.20 0.00 1.33 0.04 0.00 0.00 177.00 178.59 1h1h n VAL 127 N 2.35 0.00 -3.63 -0.36 0.24 -0.32 -4.25 118.33 112.36 1h1h n VAL 127 Ca 0.02 -0.33 -0.14 0.00 -2.04 0.00 0.00 64.34 61.85 1h1h n VAL 127 Cb 0.47 0.96 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 1h1h n VAL 127 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1h1h s HIS 128 N -0.74 -0.77 -0.50 6.34 5.65 -1.18 -4.79 115.29 119.30 1h1h s HIS 128 Ca 0.00 1.88 -0.19 0.00 0.25 0.00 0.00 55.06 57.01 1h1h s HIS 128 Cb 0.00 0.27 0.06 0.00 -1.18 0.00 0.00 32.58 31.72 1h1h s HIS 128 CO 0.00 -0.37 0.59 -1.17 -0.65 0.00 0.00 174.74 173.14 1h1h s LEU 129 N 0.36 5.02 -0.01 8.88 2.96 -1.26 -0.99 118.68 133.63 1h1h s LEU 129 Ca -0.00 -0.93 -0.24 0.00 -0.22 0.00 0.00 54.13 52.74 1h1h s LEU 129 Cb -0.05 -2.42 -0.20 0.00 0.50 0.00 0.00 46.19 44.02 1h1h s LEU 129 CO 0.01 -0.85 1.19 -0.78 -1.32 0.00 0.00 176.35 174.61 1h1h h ASP 130 N 8.95 0.21 -5.79 3.68 1.82 -1.18 -3.49 116.42 120.62 1h1h h ASP 130 Ca -0.27 -0.60 0.33 0.00 -0.39 0.00 0.00 57.03 56.09 1h1h h ASP 130 Cb 1.10 -0.06 -0.11 0.00 0.68 0.00 0.00 39.33 40.94 1h1h h ASP 130 CO 0.95 0.78 0.85 0.28 -1.61 0.00 0.00 179.24 180.48 1h1h s THR 131 N -3.81 0.00 0.03 2.25 -1.32 -1.17 -4.82 115.64 106.80 1h1h s THR 131 Ca -0.15 -0.21 0.07 0.00 -1.21 0.00 0.00 61.69 60.19 1h1h s THR 131 Cb 0.02 -2.18 -0.02 0.00 -1.51 0.00 0.00 72.50 68.81 1h1h s THR 131 CO 0.73 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 173.36 1h1h s THR 132 N -2.33 1.55 0.00 5.08 -4.23 -1.26 -0.66 115.64 113.79 1h1h s THR 132 Ca 0.17 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1h1h s THR 132 Cb 0.04 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1h1h s THR 132 CO -0.03 0.23 0.28 2.30 -0.54 0.00 0.00 174.62 176.85