#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ar0 n PRO 5 N 0.00 -0.54 -0.35 1.97 -0.04 -1.26 -4.74 135.00 130.04 1ar0 n PRO 5 Ca 0.00 -0.09 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 1ar0 n PRO 5 Cb 0.00 -2.34 0.18 0.00 -0.04 0.00 0.00 33.50 31.30 1ar0 n PRO 5 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1ar0 h ILE 6 N -1.92 1.12 0.00 0.52 2.10 -2.04 -2.39 117.51 114.90 1ar0 h ILE 6 Ca -0.44 -0.40 -0.09 0.00 1.08 0.00 0.00 64.86 65.00 1ar0 h ILE 6 Cb 1.27 -0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.83 1ar0 h ILE 6 CO 0.41 0.21 -0.45 4.11 -1.08 0.00 0.00 178.15 181.36 1ar0 h TRP 7 N 1.18 0.00 -0.07 2.19 0.09 -1.97 -1.79 115.95 115.58 1ar0 h TRP 7 Ca 0.41 0.00 -0.19 0.00 0.09 0.00 0.00 58.89 59.19 1ar0 h TRP 7 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.35 1ar0 h TRP 7 CO -0.00 0.45 -0.77 0.93 0.09 0.00 0.00 178.44 179.13 1ar0 h GLU 8 N 0.00 0.42 -0.01 0.12 5.08 -1.77 -0.92 114.58 117.51 1ar0 h GLU 8 Ca -0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1ar0 h GLU 8 Cb 0.83 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ar0 h GLU 8 CO 0.06 1.01 0.01 1.96 -1.00 0.00 0.00 179.01 181.05 1ar0 h GLN 9 N 0.28 0.02 -0.01 2.33 4.20 -1.06 -1.10 115.11 119.77 1ar0 h GLN 9 Ca -0.04 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ar0 h GLN 9 Cb 1.36 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 1ar0 h GLN 9 CO 0.13 0.16 0.00 0.82 -0.67 0.00 0.00 178.83 179.28 1ar0 h ILE 10 N -0.12 1.11 -0.01 2.54 2.04 -1.34 -2.41 117.51 119.32 1ar0 h ILE 10 Ca 0.00 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1ar0 h ILE 10 Cb 0.15 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1ar0 h ILE 10 CO -0.00 0.08 -0.03 1.23 0.00 0.00 0.00 178.15 179.43 1ar0 h GLY 11 N -0.12 -0.02 0.65 5.37 0.00 -1.12 -0.75 103.07 107.08 1ar0 h GLY 11 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.43 1ar0 h GLY 11 CO -0.00 -0.04 0.34 1.76 0.00 0.00 0.00 176.54 178.61 1ar0 h SER 12 N -0.05 0.50 -0.32 0.19 0.02 -1.25 -0.66 113.55 111.98 1ar0 h SER 12 Ca 0.02 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1ar0 h SER 12 Cb 0.07 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ar0 h SER 12 CO -0.04 0.32 0.06 0.28 -1.14 0.00 0.00 176.83 176.31 1ar0 h SER 13 N 0.63 0.50 0.36 3.07 0.02 -1.29 -1.98 113.55 114.86 1ar0 h SER 13 Ca 0.29 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1ar0 h SER 13 Cb 0.20 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1ar0 h SER 13 CO -0.19 0.62 -0.45 0.15 -1.14 0.00 0.00 176.83 175.82 1ar0 h PHE 14 N 0.35 -1.24 -0.30 3.45 3.57 -0.71 -0.70 116.94 121.35 1ar0 h PHE 14 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1ar0 h PHE 14 Cb 0.33 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1ar0 h PHE 14 CO 0.02 -0.59 0.16 -0.84 -2.23 0.00 0.00 178.31 174.83 1ar0 h ILE 15 N -0.85 1.10 -0.12 1.41 3.07 -1.13 0.23 117.51 121.22 1ar0 h ILE 15 Ca -0.03 -0.26 0.01 0.00 1.55 0.00 0.00 64.86 66.13 1ar0 h ILE 15 Cb 0.77 0.70 -0.02 0.00 -0.27 0.00 0.00 36.82 38.01 1ar0 h ILE 15 CO -0.11 0.11 0.02 -0.61 -1.05 0.00 0.00 178.15 176.51 1ar0 h GLN 16 N 0.41 0.07 -0.02 0.16 4.15 -1.24 -0.92 115.11 117.72 1ar0 h GLN 16 Ca 0.11 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1ar0 h GLN 16 Cb 0.02 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ar0 h GLN 16 CO -0.02 0.05 -0.00 1.25 -1.93 0.00 0.00 178.83 178.18 1ar0 h HIS 17 N 0.07 -0.01 0.24 3.99 2.76 -0.58 -1.91 115.15 119.72 1ar0 h HIS 17 Ca 0.05 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1ar0 h HIS 17 Cb 0.05 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 1ar0 h HIS 17 CO -0.12 -0.01 -0.35 -0.92 -1.30 0.00 0.00 177.93 175.24 1ar0 h TYR 18 N 0.00 -0.95 0.00 5.26 5.03 -0.72 -2.02 116.97 123.57 1ar0 h TYR 18 Ca 0.01 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 1ar0 h TYR 18 Cb 0.01 0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 1ar0 h TYR 18 CO -0.09 -0.47 -0.37 1.88 -1.32 0.00 0.00 178.16 177.79 1ar0 h TYR 19 N -0.66 0.00 -0.25 -3.82 0.05 -1.17 0.86 116.97 111.99 1ar0 h TYR 19 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1ar0 h TYR 19 Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1ar0 h TYR 19 CO -0.25 0.37 0.11 0.37 -1.05 0.00 0.00 178.16 177.71 1ar0 h GLN 20 N 0.00 0.36 0.01 4.88 4.15 -1.26 -1.61 115.11 121.64 1ar0 h GLN 20 Ca -0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1ar0 h GLN 20 Cb 0.69 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1ar0 h GLN 20 CO 0.05 0.38 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.25 1ar0 h LEU 21 N 0.26 -0.02 -0.42 -2.39 3.38 -1.24 -2.35 115.31 112.54 1ar0 h LEU 21 Ca 0.08 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1ar0 h LEU 21 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1ar0 h LEU 21 CO -0.01 0.21 -0.00 0.15 0.09 0.00 0.00 178.44 178.88 1ar0 h PHE 22 N -0.25 -0.03 0.00 1.13 3.04 -0.65 -1.70 116.94 118.48 1ar0 h PHE 22 Ca -0.00 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1ar0 h PHE 22 Cb 0.24 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1ar0 h PHE 22 CO 0.00 -0.09 -0.19 -0.44 -2.02 0.00 0.00 178.31 175.58 1ar0 h ASP 23 N 0.10 0.00 0.00 0.41 3.32 -1.35 -3.39 116.42 115.52 1ar0 h ASP 23 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ar0 h ASP 23 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ar0 h ASP 23 CO -0.35 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 177.95 1ar0 n ASN 24 N -3.22 0.00 -3.89 6.45 3.02 -0.88 -4.61 115.26 112.13 1ar0 n ASN 24 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1ar0 n ASN 24 Cb 0.51 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 1ar0 n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ar0 s ASP 25 N -2.40 4.27 0.00 6.41 -1.08 -0.67 -4.99 116.67 118.21 1ar0 s ASP 25 Ca 0.00 -2.47 0.14 0.00 -0.52 0.00 0.00 52.55 49.70 1ar0 s ASP 25 Cb 0.00 -1.40 0.79 0.00 -1.46 0.00 0.00 42.92 40.85 1ar0 s ASP 25 CO 0.00 -0.31 1.52 -2.11 0.52 0.00 0.00 175.17 174.79 1ar0 n ARG 26 N 3.80 1.11 0.11 4.34 1.85 -1.21 -2.42 116.66 124.24 1ar0 n ARG 26 Ca 0.04 -0.17 0.12 0.00 -1.00 0.00 0.00 57.85 56.85 1ar0 n ARG 26 Cb 0.37 -1.24 0.20 0.00 -1.05 0.00 0.00 32.46 30.74 1ar0 n ARG 26 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1ar0 h THR 27 N 0.32 0.00 -0.02 8.89 1.35 -1.91 -3.23 112.91 118.31 1ar0 h THR 27 Ca 0.00 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ar0 h THR 27 Cb 0.07 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1ar0 h THR 27 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1ar0 n GLN 28 N -2.46 1.64 0.16 4.72 6.02 -1.02 -4.50 117.38 121.94 1ar0 n GLN 28 Ca 0.03 -0.93 0.12 0.00 -0.01 0.00 0.00 57.00 56.22 1ar0 n GLN 28 Cb 0.48 -1.48 0.56 0.00 1.02 0.00 0.00 30.24 30.82 1ar0 n GLN 28 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ar0 h LEU 29 N 2.24 0.00 -1.53 1.08 3.38 -1.72 -3.13 115.31 115.63 1ar0 h LEU 29 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1ar0 h LEU 29 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1ar0 h LEU 29 CO 0.00 0.00 0.47 1.23 0.09 0.00 0.00 178.44 180.23 1ar0 h GLY 30 N 1.42 0.76 1.40 0.83 0.00 -1.87 -2.63 103.07 102.97 1ar0 h GLY 30 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.18 1ar0 h GLY 30 CO 0.00 0.10 0.24 0.00 0.00 0.00 0.00 176.54 176.88 1ar0 h ALA 31 N 1.65 1.85 -0.03 3.60 0.00 -1.92 -2.46 119.26 121.96 1ar0 h ALA 31 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ar0 h ALA 31 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ar0 h ALA 31 CO -0.11 -0.35 -0.09 0.44 0.00 0.00 0.00 179.25 179.13 1ar0 n ILE 32 N -3.78 0.00 -4.05 0.00 -6.64 -0.99 -4.97 119.36 98.93 1ar0 n ILE 32 Ca 0.02 -0.44 -0.23 0.00 -1.77 0.00 0.00 62.75 60.34 1ar0 n ILE 32 Cb 0.37 1.39 -0.06 0.00 -1.44 0.00 0.00 39.64 39.90 1ar0 n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1ar0 s TYR 33 N -2.09 2.78 0.49 4.28 2.02 -0.93 0.21 117.35 124.10 1ar0 s TYR 33 Ca 0.27 -0.33 0.05 0.00 -0.37 0.00 0.00 57.07 56.69 1ar0 s TYR 33 Cb 0.20 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1ar0 s TYR 33 CO 0.35 0.34 0.22 0.96 -1.57 0.00 0.00 175.55 175.85 1ar0 s ILE 34 N -2.37 1.78 0.37 2.71 -4.36 -1.26 -4.88 121.20 113.19 1ar0 s ILE 34 Ca 0.38 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.11 1ar0 s ILE 34 Cb -0.04 -2.47 0.26 0.00 1.25 0.00 0.00 42.46 41.46 1ar0 s ILE 34 CO 0.23 0.00 2.03 0.44 0.24 0.00 0.00 174.94 177.88 1ar0 h ASP 35 N 1.15 0.62 -0.41 4.36 3.32 -1.97 -2.33 116.42 121.16 1ar0 h ASP 35 Ca -0.41 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ar0 h ASP 35 Cb 1.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ar0 h ASP 35 CO 0.66 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 178.64 1ar0 n ALA 36 N -2.46 3.20 -1.13 3.45 0.00 -1.26 -2.21 120.51 120.10 1ar0 n ALA 36 Ca 0.05 -1.19 -0.33 0.00 0.00 0.00 0.00 53.44 51.98 1ar0 n ALA 36 Cb 0.05 -1.06 0.11 0.00 0.00 0.00 0.00 19.45 18.56 1ar0 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ar0 s SER 37 N -0.63 3.90 -0.03 0.00 0.01 -0.88 -4.71 113.70 111.36 1ar0 s SER 37 Ca 0.36 2.18 0.03 0.00 1.31 0.00 0.00 55.95 59.83 1ar0 s SER 37 Cb 0.25 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1ar0 s SER 37 CO 0.13 -2.45 -0.12 0.00 0.41 0.00 0.00 173.24 171.21 1ar0 s LEU 39 N 0.10 1.73 -0.31 0.00 2.96 -0.14 -1.17 118.68 121.86 1ar0 s LEU 39 Ca -0.03 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1ar0 s LEU 39 Cb -0.09 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.57 1ar0 s LEU 39 CO 0.01 0.03 0.08 -0.89 -1.32 0.00 0.00 176.35 174.26 1ar0 s THR 40 N 0.86 3.81 -0.41 3.68 2.01 0.50 0.17 115.64 126.26 1ar0 s THR 40 Ca -0.09 -0.88 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1ar0 s THR 40 Cb -0.15 -3.03 0.11 0.00 0.01 0.00 0.00 72.50 69.44 1ar0 s THR 40 CO 0.01 -0.00 0.21 0.86 -0.69 0.00 0.00 174.62 175.01 1ar0 s TRP 41 N 1.45 3.58 -1.14 4.92 -0.11 0.04 -1.03 118.94 126.66 1ar0 s TRP 41 Ca 0.01 -2.41 -0.07 0.00 1.22 0.00 0.00 56.10 54.85 1ar0 s TRP 41 Cb -0.18 -3.23 0.01 0.00 -1.50 0.00 0.00 33.47 28.56 1ar0 s TRP 41 CO 0.02 -0.97 0.99 1.63 -4.62 0.00 0.00 176.95 174.00 1ar0 n LYS 42 N 4.58 -6.65 -0.85 5.86 5.02 0.49 -2.04 118.16 124.58 1ar0 n LYS 42 Ca -0.02 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1ar0 n LYS 42 Cb 0.41 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 1ar0 n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ar0 n GLY 43 N -1.72 1.28 3.50 0.72 0.00 -1.26 -5.03 105.19 102.68 1ar0 n GLY 43 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ar0 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ar0 s GLN 44 N -0.01 3.72 -0.17 1.61 0.74 -0.86 -5.08 119.66 119.60 1ar0 s GLN 44 Ca 0.00 -0.48 -0.18 0.00 0.05 0.00 0.00 55.36 54.76 1ar0 s GLN 44 Cb 0.00 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1ar0 s GLN 44 CO 0.00 0.10 0.47 -1.14 -0.55 0.00 0.00 175.29 174.17 1ar0 s GLN 45 N 0.78 4.25 -0.25 1.67 0.74 -1.26 -0.78 119.66 124.80 1ar0 s GLN 45 Ca 0.01 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.78 1ar0 s GLN 45 Cb -0.14 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.50 1ar0 s GLN 45 CO 0.02 0.01 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.64 1ar0 s PHE 46 N 1.14 3.11 -0.21 1.67 0.08 0.13 -5.00 117.98 118.89 1ar0 s PHE 46 Ca 0.23 -1.74 -0.06 0.00 0.12 0.00 0.00 56.93 55.49 1ar0 s PHE 46 Cb -0.15 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1ar0 s PHE 46 CO 0.09 -0.77 0.02 -0.65 -0.10 0.00 0.00 175.22 173.81 1ar0 s GLN 47 N 1.27 3.65 0.00 0.44 -0.21 -1.26 -0.97 119.66 122.59 1ar0 s GLN 47 Ca -0.02 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.87 1ar0 s GLN 47 Cb -0.17 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.68 1ar0 s GLN 47 CO -0.05 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 1ar0 n GLY 48 N 4.39 0.13 0.22 3.09 0.00 -0.22 -4.35 105.19 108.45 1ar0 n GLY 48 Ca -0.17 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 1ar0 n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ar0 h LYS 49 N 0.00 -0.05 -0.63 1.61 3.64 -1.56 -2.01 116.57 117.57 1ar0 h LYS 49 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1ar0 h LYS 49 Cb 0.00 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1ar0 h LYS 49 CO 0.00 -0.03 0.34 0.00 -2.27 0.00 0.00 179.45 177.49 1ar0 h ALA 50 N 1.36 0.84 -0.37 5.00 0.00 -1.87 0.46 119.26 124.68 1ar0 h ALA 50 Ca 0.22 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1ar0 h ALA 50 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ar0 h ALA 50 CO -0.50 0.01 -0.34 0.00 0.00 0.00 0.00 179.25 178.42 1ar0 h ALA 51 N 1.33 0.54 0.38 0.00 0.00 -1.68 -2.42 119.26 117.42 1ar0 h ALA 51 Ca 0.28 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1ar0 h ALA 51 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ar0 h ALA 51 CO -0.18 0.61 -0.18 0.82 0.00 0.00 0.00 179.25 180.32 1ar0 h ILE 52 N 0.70 0.63 -0.79 0.00 2.04 -1.10 -1.60 117.51 117.39 1ar0 h ILE 52 Ca 0.06 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ar0 h ILE 52 Cb 0.93 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1ar0 h ILE 52 CO 0.09 0.02 0.48 0.58 0.00 0.00 0.00 178.15 179.31 1ar0 h VAL 53 N -0.57 1.22 0.14 1.67 2.07 -0.95 -2.26 116.25 117.58 1ar0 h VAL 53 Ca -0.05 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ar0 h VAL 53 Cb 0.42 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1ar0 h VAL 53 CO 0.09 0.23 -0.17 -0.08 0.02 0.00 0.00 177.57 177.66 1ar0 h GLU 54 N 1.08 -0.33 -0.03 1.57 4.57 -1.43 -1.02 114.58 118.98 1ar0 h GLU 54 Ca 0.28 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.51 1ar0 h GLU 54 Cb -0.04 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1ar0 h GLU 54 CO -0.05 -0.22 -0.12 -0.22 -1.18 0.00 0.00 179.01 177.21 1ar0 h LYS 55 N -0.35 -0.19 -0.31 1.92 1.63 -1.11 -1.98 116.57 116.19 1ar0 h LYS 55 Ca 0.01 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 1ar0 h LYS 55 Cb 0.34 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1ar0 h LYS 55 CO -0.06 -0.12 -0.21 -0.07 -3.45 0.00 0.00 179.45 175.53 1ar0 h LEU 56 N -0.19 0.60 -0.88 5.20 3.38 -1.41 -2.82 115.31 119.19 1ar0 h LEU 56 Ca 0.06 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1ar0 h LEU 56 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ar0 h LEU 56 CO -0.15 0.81 -0.43 0.28 0.09 0.00 0.00 178.44 179.04 1ar0 h SER 57 N 0.53 0.29 0.37 -0.43 0.02 -1.11 -3.19 113.55 110.02 1ar0 h SER 57 Ca 0.08 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1ar0 h SER 57 Cb 0.66 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ar0 h SER 57 CO 0.05 0.69 -0.17 -1.54 -1.14 0.00 0.00 176.83 174.72 1ar0 n SER 58 N -4.01 0.60 -4.57 3.07 3.41 -0.75 -4.94 113.62 106.44 1ar0 n SER 58 Ca -0.02 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.59 1ar0 n SER 58 Cb 0.50 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1ar0 n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ar0 n LEU 59 N -0.93 1.91 -0.29 1.04 4.77 -1.08 -4.85 117.00 117.57 1ar0 n LEU 59 Ca 0.13 1.00 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1ar0 n LEU 59 Cb 0.30 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1ar0 n LEU 59 CO 0.25 -1.88 0.32 -0.81 -1.33 0.00 0.00 177.39 173.94 1ar0 n PRO 60 N 0.23 0.91 -4.07 3.23 -0.04 -1.26 -4.85 135.00 129.15 1ar0 n PRO 60 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1ar0 n PRO 60 Cb 0.39 -1.26 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1ar0 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ar0 s PHE 61 N -1.42 3.03 -0.27 0.54 -0.12 -1.26 -5.04 117.98 113.43 1ar0 s PHE 61 Ca 0.00 -0.16 -0.12 0.00 -0.05 0.00 0.00 56.93 56.60 1ar0 s PHE 61 Cb 0.00 -1.46 -0.14 0.00 -0.63 0.00 0.00 43.02 40.79 1ar0 s PHE 61 CO 0.00 0.46 -0.28 1.04 -0.05 0.00 0.00 175.22 176.39 1ar0 n GLN 62 N -1.19 0.60 -5.17 1.99 6.02 -1.26 -4.96 117.38 113.41 1ar0 n GLN 62 Ca -0.06 0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.87 1ar0 n GLN 62 Cb 0.58 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 30.16 1ar0 n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ar0 s LYS 63 N -2.50 2.81 0.03 -1.09 1.02 -1.26 -5.02 119.74 113.72 1ar0 s LYS 63 Ca -0.37 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 54.78 1ar0 s LYS 63 Cb 0.13 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.15 1ar0 s LYS 63 CO 0.52 0.31 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.69 1ar0 s ILE 64 N 0.02 0.54 -0.03 2.17 2.07 -1.26 -0.12 121.20 124.59 1ar0 s ILE 64 Ca -0.08 -0.78 -0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1ar0 s ILE 64 Cb -0.15 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 41.92 1ar0 s ILE 64 CO 0.05 -0.18 0.06 -1.58 -1.91 0.00 0.00 174.94 171.38 1ar0 s GLN 65 N -1.04 -0.00 0.20 3.50 0.74 -0.35 -4.55 119.66 118.16 1ar0 s GLN 65 Ca -0.05 0.22 0.08 0.00 0.05 0.00 0.00 55.36 55.66 1ar0 s GLN 65 Cb -0.07 -0.21 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1ar0 s GLN 65 CO 0.00 -0.15 -0.01 -1.01 -0.55 0.00 0.00 175.29 173.57 1ar0 s HIS 66 N 1.01 2.77 -0.02 1.67 3.76 -1.26 -0.69 115.29 122.53 1ar0 s HIS 66 Ca -0.08 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1ar0 s HIS 66 Cb -0.12 -1.31 0.02 0.00 1.11 0.00 0.00 32.58 32.29 1ar0 s HIS 66 CO -0.03 0.54 0.03 0.45 -0.85 0.00 0.00 174.74 174.88 1ar0 s SER 67 N -3.15 0.04 -0.14 1.40 0.15 0.91 -4.98 113.70 107.93 1ar0 s SER 67 Ca 0.28 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.83 1ar0 s SER 67 Cb -0.08 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1ar0 s SER 67 CO 0.18 -0.10 0.38 -0.63 1.20 0.00 0.00 173.24 174.27 1ar0 s ILE 68 N 0.86 5.24 -0.13 6.45 1.01 -1.26 -0.78 121.20 132.59 1ar0 s ILE 68 Ca -0.07 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.34 1ar0 s ILE 68 Cb -0.10 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.41 1ar0 s ILE 68 CO -0.03 0.37 0.31 0.41 0.00 0.00 0.00 174.94 176.01 1ar0 n THR 69 N 3.55 1.65 -3.66 2.92 -1.04 0.39 -4.95 114.28 113.13 1ar0 n THR 69 Ca -0.10 -0.70 -0.15 0.00 -2.04 0.00 0.00 64.05 61.07 1ar0 n THR 69 Cb 0.52 -1.37 -0.08 0.00 -1.82 0.00 0.00 70.33 67.58 1ar0 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ar0 s ALA 70 N -2.56 -1.35 -0.08 2.41 0.00 -0.81 -4.99 121.76 114.39 1ar0 s ALA 70 Ca -0.19 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1ar0 s ALA 70 Cb 0.07 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1ar0 s ALA 70 CO 0.76 -0.29 0.15 1.14 0.00 0.00 0.00 175.76 177.52 1ar0 s GLN 71 N -0.35 0.02 -0.09 0.00 -2.07 -1.26 -1.26 119.66 114.64 1ar0 s GLN 71 Ca -0.05 0.52 0.04 0.00 -1.82 0.00 0.00 55.36 54.05 1ar0 s GLN 71 Cb -0.03 -0.29 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 1ar0 s GLN 71 CO 0.04 -0.30 -0.22 -0.51 -1.32 0.00 0.00 175.29 172.97 1ar0 s ASP 72 N 2.17 2.91 -0.01 12.60 1.01 0.04 -4.98 116.67 130.41 1ar0 s ASP 72 Ca 0.02 -0.52 0.06 0.00 0.71 0.00 0.00 52.55 52.82 1ar0 s ASP 72 Cb -0.12 -1.31 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 1ar0 s ASP 72 CO -0.05 0.15 -0.21 -1.00 0.21 0.00 0.00 175.17 174.27 1ar0 s HIS 73 N 0.37 1.84 0.01 4.23 3.76 -1.26 -0.22 115.29 124.01 1ar0 s HIS 73 Ca -0.18 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.35 1ar0 s HIS 73 Cb -0.18 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.33 1ar0 s HIS 73 CO 0.08 -0.03 0.06 -0.65 -0.85 0.00 0.00 174.74 173.36 1ar0 s GLN 74 N -0.51 0.37 0.25 1.40 -0.21 0.12 -4.84 119.66 116.24 1ar0 s GLN 74 Ca 0.08 -0.42 -0.17 0.00 0.02 0.00 0.00 55.36 54.86 1ar0 s GLN 74 Cb -0.08 0.15 -0.08 0.00 1.00 0.00 0.00 33.01 33.99 1ar0 s GLN 74 CO -0.01 -0.08 0.71 -1.25 -2.12 0.00 0.00 175.29 172.54 1ar0 s PRO 75 N -1.24 4.12 0.41 2.91 0.04 -1.26 -0.69 135.00 139.28 1ar0 s PRO 75 Ca -0.13 0.74 0.08 0.00 0.04 0.00 0.00 61.00 61.72 1ar0 s PRO 75 Cb -0.08 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1ar0 s PRO 75 CO 0.00 0.31 0.41 0.95 0.04 0.00 0.00 177.00 178.72 1ar0 s THR 76 N -1.70 2.87 0.41 1.26 -4.23 -0.58 -4.91 115.64 108.76 1ar0 s THR 76 Ca 0.47 -1.26 0.13 0.00 -1.18 0.00 0.00 61.69 59.85 1ar0 s THR 76 Cb -0.14 -3.03 0.14 0.00 1.34 0.00 0.00 72.50 70.81 1ar0 s THR 76 CO 0.19 -0.02 1.91 -0.65 -0.54 0.00 0.00 174.62 175.51 1ar0 h PRO 77 N 0.96 0.04 -1.04 3.99 0.11 -1.99 -2.99 132.00 131.09 1ar0 h PRO 77 Ca -0.42 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.19 1ar0 h PRO 77 Cb 1.27 -0.01 -0.26 0.00 0.11 0.00 0.00 31.00 32.11 1ar0 h PRO 77 CO 0.55 0.29 0.63 -0.25 -0.21 0.00 0.00 178.00 179.01 1ar0 n ASP 78 N -4.23 4.76 -1.10 -2.05 8.00 -1.26 -4.90 116.55 115.78 1ar0 n ASP 78 Ca -0.02 -3.46 -0.10 0.00 0.71 0.00 0.00 54.79 51.91 1ar0 n ASP 78 Cb 0.31 -0.86 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 1ar0 n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ar0 n SER 79 N -0.84 -3.57 -4.89 -2.24 7.64 -1.13 -5.04 113.62 103.55 1ar0 n SER 79 Ca 0.53 0.04 -0.22 0.00 1.01 0.00 0.00 58.87 60.23 1ar0 n SER 79 Cb 1.27 -2.67 -0.02 0.00 -1.01 0.00 0.00 64.21 61.78 1ar0 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ar0 s ILE 81 N -2.54 1.52 -0.20 0.00 1.01 -0.73 -1.52 121.20 118.74 1ar0 s ILE 81 Ca 0.47 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1ar0 s ILE 81 Cb -0.03 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1ar0 s ILE 81 CO 0.27 0.43 0.00 -0.63 0.00 0.00 0.00 174.94 175.02 1ar0 s ILE 82 N -0.03 4.01 -0.14 2.92 1.01 0.14 -0.14 121.20 128.97 1ar0 s ILE 82 Ca -0.03 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1ar0 s ILE 82 Cb -0.11 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1ar0 s ILE 82 CO 0.02 0.43 -0.19 -0.44 0.00 0.00 0.00 174.94 174.76 1ar0 s SER 83 N 0.91 3.37 -0.11 3.58 0.01 -0.50 -0.70 113.70 120.26 1ar0 s SER 83 Ca 0.01 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 56.77 1ar0 s SER 83 Cb -0.14 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 64.61 1ar0 s SER 83 CO 0.02 0.10 -0.18 -0.32 0.41 0.00 0.00 173.24 173.27 1ar0 s MET 84 N 0.69 2.51 -0.01 12.44 0.00 0.69 -1.11 119.30 134.50 1ar0 s MET 84 Ca -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 55.69 54.99 1ar0 s MET 84 Cb -0.16 -2.03 -0.02 0.00 0.00 0.00 0.00 34.83 32.62 1ar0 s MET 84 CO 0.01 0.01 -0.21 0.08 0.00 0.00 0.00 175.02 174.91 1ar0 s VAL 85 N 0.77 1.69 -0.04 10.11 1.01 0.51 -0.78 120.40 133.68 1ar0 s VAL 85 Ca -0.10 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1ar0 s VAL 85 Cb -0.16 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1ar0 s VAL 85 CO 0.01 0.46 -0.21 0.54 0.00 0.00 0.00 175.10 175.90 1ar0 s VAL 86 N -0.53 1.69 0.00 2.92 0.11 -0.39 -1.16 120.40 123.04 1ar0 s VAL 86 Ca 0.08 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1ar0 s VAL 86 Cb -0.08 -1.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1ar0 s VAL 86 CO -0.01 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1ar0 n GLY 87 N 2.92 3.55 2.99 6.54 0.00 -0.70 -0.47 105.19 120.02 1ar0 n GLY 87 Ca -0.17 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1ar0 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ar0 s GLN 88 N 1.29 0.22 0.13 1.61 -0.21 0.04 -1.36 119.66 121.38 1ar0 s GLN 88 Ca 0.00 -0.17 0.03 0.00 0.02 0.00 0.00 55.36 55.24 1ar0 s GLN 88 Cb 0.00 0.09 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 1ar0 s GLN 88 CO 0.00 -0.04 -0.08 -0.48 -2.12 0.00 0.00 175.29 172.57 1ar0 s LEU 89 N -0.62 2.51 -0.07 2.90 0.05 0.14 -0.06 118.68 123.53 1ar0 s LEU 89 Ca -0.07 -1.01 -0.01 0.00 0.05 0.00 0.00 54.13 53.08 1ar0 s LEU 89 Cb -0.04 -0.22 0.03 0.00 -2.05 0.00 0.00 46.19 43.91 1ar0 s LEU 89 CO 0.00 -0.40 0.01 -0.75 -0.55 0.00 0.00 176.35 174.67 1ar0 s LYS 90 N -3.79 0.48 -0.20 1.48 2.20 0.13 -1.21 119.74 118.83 1ar0 s LYS 90 Ca 0.15 0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.86 1ar0 s LYS 90 Cb 0.04 -0.90 -0.03 0.00 -1.51 0.00 0.00 37.83 35.44 1ar0 s LYS 90 CO -0.02 -0.31 0.01 0.00 -0.36 0.00 0.00 175.35 174.67 1ar0 s ALA 91 N 2.01 3.06 0.00 3.13 0.00 -1.26 -1.21 121.76 127.49 1ar0 s ALA 91 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1ar0 s ALA 91 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1ar0 s ALA 91 CO -0.05 -0.16 0.00 -0.25 0.00 0.00 0.00 175.76 175.30 1ar0 n ASP 92 N 4.27 0.00 -0.38 0.00 8.00 0.83 -1.17 116.55 128.10 1ar0 n ASP 92 Ca -0.17 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.36 1ar0 n ASP 92 Cb 0.52 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1ar0 n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ar0 n GLU 93 N 5.36 2.57 -1.45 -1.24 -0.58 -1.26 -5.01 120.64 119.03 1ar0 n GLU 93 Ca 0.00 -1.73 -0.30 0.00 -0.42 0.00 0.00 57.16 54.71 1ar0 n GLU 93 Cb 0.00 -1.16 0.09 0.00 -0.57 0.00 0.00 31.44 29.80 1ar0 n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ar0 s ASP 94 N -0.95 4.60 0.71 1.62 1.11 -0.32 -5.00 116.67 118.45 1ar0 s ASP 94 Ca 0.13 1.52 -0.13 0.00 0.18 0.00 0.00 52.55 54.26 1ar0 s ASP 94 Cb 0.07 -2.28 0.03 0.00 1.07 0.00 0.00 42.92 41.80 1ar0 s ASP 94 CO 0.10 -1.93 1.10 -2.16 1.18 0.00 0.00 175.17 173.46 1ar0 s PRO 95 N -5.04 2.54 0.25 8.23 0.04 -1.26 -4.57 135.00 135.18 1ar0 s PRO 95 Ca 0.60 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1ar0 s PRO 95 Cb -0.15 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1ar0 s PRO 95 CO 0.55 -1.44 1.62 0.42 0.04 0.00 0.00 177.00 178.19 1ar0 s ILE 96 N -2.57 2.18 0.03 0.56 -1.09 -1.26 -4.73 121.20 114.32 1ar0 s ILE 96 Ca 0.65 0.14 0.08 0.00 -2.23 0.00 0.00 60.65 59.28 1ar0 s ILE 96 Cb -0.19 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 1ar0 s ILE 96 CO 0.48 0.02 -0.23 -0.04 -1.23 0.00 0.00 174.94 173.94 1ar0 s MET 97 N 0.24 1.59 0.60 2.79 -1.94 -0.35 -4.95 119.30 117.28 1ar0 s MET 97 Ca 0.67 -0.97 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 1ar0 s MET 97 Cb -0.47 -1.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 1ar0 s MET 97 CO 0.40 0.44 1.04 0.20 -0.01 0.00 0.00 175.02 177.09 1ar0 s GLY 98 N -1.08 1.93 0.09 -0.03 0.00 -1.26 -0.68 107.32 106.28 1ar0 s GLY 98 Ca 0.09 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.90 1ar0 s GLY 98 CO 0.01 0.49 0.22 -0.11 0.00 0.00 0.00 173.10 173.72 1ar0 s PHE 99 N -2.75 0.08 -0.06 1.90 -0.12 -0.46 -0.73 117.98 115.83 1ar0 s PHE 99 Ca 0.60 -0.46 0.03 0.00 -0.05 0.00 0.00 56.93 57.05 1ar0 s PHE 99 Cb -0.13 -0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 1ar0 s PHE 99 CO 0.42 -0.55 -0.14 -1.01 -0.05 0.00 0.00 175.22 173.89 1ar0 s HIS 100 N -3.66 1.58 -0.01 3.49 3.76 0.63 -1.71 115.29 119.37 1ar0 s HIS 100 Ca 0.03 -0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 1ar0 s HIS 100 Cb 0.04 -1.13 -0.00 0.00 1.11 0.00 0.00 32.58 32.60 1ar0 s HIS 100 CO -0.10 -0.26 0.06 -1.14 -0.85 0.00 0.00 174.74 172.45 1ar0 s GLN 101 N 0.51 0.26 -0.02 1.40 0.74 -0.31 -1.00 119.66 121.24 1ar0 s GLN 101 Ca -0.13 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.05 1ar0 s GLN 101 Cb -0.15 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.08 1ar0 s GLN 101 CO 0.04 -0.05 -0.02 1.41 -0.55 0.00 0.00 175.29 176.12 1ar0 s MET 102 N -0.77 0.31 -0.05 1.67 -2.45 -0.40 -0.36 119.30 117.25 1ar0 s MET 102 Ca -0.09 -0.03 0.04 0.00 -1.25 0.00 0.00 55.69 54.37 1ar0 s MET 102 Cb -0.05 -0.39 -0.00 0.00 1.25 0.00 0.00 34.83 35.64 1ar0 s MET 102 CO 0.00 -0.03 -0.17 -0.06 1.05 0.00 0.00 175.02 175.81 1ar0 s PHE 103 N 0.47 1.73 -0.24 4.11 0.08 -0.27 -1.38 117.98 122.49 1ar0 s PHE 103 Ca -0.05 -0.53 -0.05 0.00 0.12 0.00 0.00 56.93 56.42 1ar0 s PHE 103 Cb -0.08 -1.17 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1ar0 s PHE 103 CO -0.01 -0.20 -0.00 -1.17 -0.10 0.00 0.00 175.22 173.74 1ar0 s LEU 104 N 0.14 3.14 0.01 -0.37 2.96 -0.09 -1.42 118.68 123.06 1ar0 s LEU 104 Ca -0.06 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1ar0 s LEU 104 Cb -0.12 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1ar0 s LEU 104 CO 0.03 -0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.26 1ar0 s LEU 105 N 1.51 3.56 -0.04 -0.68 1.43 0.80 -0.57 118.68 124.69 1ar0 s LEU 105 Ca 0.05 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1ar0 s LEU 105 Cb -0.15 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1ar0 s LEU 105 CO -0.01 0.27 0.11 -0.75 0.23 0.00 0.00 176.35 176.20 1ar0 s LYS 106 N -1.64 0.10 -0.55 1.70 2.20 -0.16 -1.77 119.74 119.61 1ar0 s LYS 106 Ca 0.21 0.19 -0.27 0.00 -0.36 0.00 0.00 55.97 55.73 1ar0 s LYS 106 Cb -0.12 -0.00 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1ar0 s LYS 106 CO 0.11 -0.05 1.13 1.21 -0.36 0.00 0.00 175.35 177.39 1ar0 s ASN 107 N 0.32 6.46 -0.14 1.43 3.84 -1.26 -1.25 114.94 124.34 1ar0 s ASN 107 Ca -0.02 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.13 1ar0 s ASN 107 Cb -0.03 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.16 1ar0 s ASN 107 CO -0.01 -1.38 -0.14 -0.63 -2.79 0.00 0.00 177.10 172.15 1ar0 s ILE 108 N 4.64 1.52 -1.07 -5.21 1.01 -0.48 -4.77 121.20 116.84 1ar0 s ILE 108 Ca 0.41 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1ar0 s ILE 108 Cb -0.08 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1ar0 s ILE 108 CO 0.25 0.45 0.37 0.59 0.00 0.00 0.00 174.94 176.60 1ar0 n ASN 109 N 4.74 -4.62 0.00 3.58 5.03 -1.26 -2.91 115.26 119.82 1ar0 n ASN 109 Ca -0.17 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.11 1ar0 n ASN 109 Cb 0.50 -3.52 0.00 0.00 -1.02 0.00 0.00 39.78 35.74 1ar0 n ASN 109 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ar0 n ASP 110 N -1.09 -3.05 -4.20 6.41 8.00 -1.26 -5.02 116.55 116.33 1ar0 n ASP 110 Ca -0.09 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.20 1ar0 n ASP 110 Cb 0.59 -1.18 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 1ar0 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ar0 s ALA 111 N -2.02 1.42 -0.11 2.24 0.00 -1.14 -5.10 121.76 117.04 1ar0 s ALA 111 Ca 0.00 -1.02 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 1ar0 s ALA 111 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1ar0 s ALA 111 CO 0.00 0.26 0.77 -1.58 0.00 0.00 0.00 175.76 175.22 1ar0 s TRP 112 N -1.05 3.51 0.26 0.00 0.52 -1.26 -1.38 118.94 119.53 1ar0 s TRP 112 Ca 0.03 1.26 0.07 0.00 0.02 0.00 0.00 56.10 57.48 1ar0 s TRP 112 Cb -0.09 -2.92 -0.05 0.00 -1.15 0.00 0.00 33.47 29.26 1ar0 s TRP 112 CO 0.02 -0.07 -0.07 0.14 0.02 0.00 0.00 176.95 176.99 1ar0 s VAL 113 N 1.45 1.61 -0.19 4.03 -7.23 -0.38 -4.93 120.40 114.76 1ar0 s VAL 113 Ca 0.38 -2.14 -0.16 0.00 -1.81 0.00 0.00 61.98 58.26 1ar0 s VAL 113 Cb -0.17 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1ar0 s VAL 113 CO 0.16 -0.36 0.38 0.00 -0.31 0.00 0.00 175.10 174.97 1ar0 n THR 115 N 4.22 1.45 -4.52 0.00 -2.24 0.27 -4.01 114.28 109.45 1ar0 n THR 115 Ca -0.09 -0.70 -0.24 0.00 -2.27 0.00 0.00 64.05 60.76 1ar0 n THR 115 Cb 0.51 -1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 67.56 1ar0 n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ar0 s ASN 116 N -6.09 1.62 -0.04 3.42 0.01 -1.21 -1.06 114.94 111.59 1ar0 s ASN 116 Ca -0.24 -0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 51.63 1ar0 s ASN 116 Cb 0.08 -0.74 0.03 0.00 0.41 0.00 0.00 41.25 41.03 1ar0 s ASN 116 CO 0.70 0.02 0.05 -0.62 -1.51 0.00 0.00 177.10 175.74 1ar0 s ASP 117 N 0.67 0.92 -0.07 -1.22 -1.08 -0.31 -0.91 116.67 114.66 1ar0 s ASP 117 Ca -0.14 0.06 0.03 0.00 -0.52 0.00 0.00 52.55 51.99 1ar0 s ASP 117 Cb -0.15 -0.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.17 1ar0 s ASP 117 CO 0.03 -0.22 -0.18 -0.04 0.52 0.00 0.00 175.17 175.29 1ar0 s MET 118 N 1.90 2.22 -0.03 4.34 -1.94 -0.48 -0.37 119.30 124.94 1ar0 s MET 118 Ca 0.02 -0.63 0.03 0.00 -1.71 0.00 0.00 55.69 53.40 1ar0 s MET 118 Cb -0.12 -1.77 0.00 0.00 2.01 0.00 0.00 34.83 34.95 1ar0 s MET 118 CO -0.03 0.13 -0.11 0.12 -0.01 0.00 0.00 175.02 175.12 1ar0 s PHE 119 N 0.41 1.17 -0.02 -0.03 5.36 -0.20 -1.27 117.98 123.40 1ar0 s PHE 119 Ca -0.14 -0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 55.49 1ar0 s PHE 119 Cb -0.16 -0.81 0.00 0.00 -0.34 0.00 0.00 43.02 41.71 1ar0 s PHE 119 CO 0.05 -0.12 0.08 1.03 -1.46 0.00 0.00 175.22 174.81 1ar0 s ARG 120 N 0.14 0.18 0.31 10.12 1.81 -0.17 -0.38 118.95 130.97 1ar0 s ARG 120 Ca -0.03 -0.04 -0.17 0.00 -1.72 0.00 0.00 55.73 53.77 1ar0 s ARG 120 Cb -0.09 0.08 -0.09 0.00 -0.45 0.00 0.00 34.95 34.39 1ar0 s ARG 120 CO 0.01 -0.03 0.77 -0.51 -0.68 0.00 0.00 175.30 174.86 1ar0 s LEU 121 N -0.33 4.13 0.34 2.53 1.43 -1.26 -0.27 118.68 125.25 1ar0 s LEU 121 Ca -0.04 1.40 -0.25 0.00 -1.03 0.00 0.00 54.13 54.20 1ar0 s LEU 121 Cb -0.03 -4.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.08 1ar0 s LEU 121 CO 0.00 -0.16 0.97 0.00 0.23 0.00 0.00 176.35 177.39 1ar0 s ALA 122 N -1.88 3.18 -0.05 4.21 0.00 0.09 -4.82 121.76 122.48 1ar0 s ALA 122 Ca 0.52 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1ar0 s ALA 122 Cb -0.12 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1ar0 s ALA 122 CO 0.18 0.08 0.02 -0.51 0.00 0.00 0.00 175.76 175.54 1ar0 s LEU 123 N -2.22 3.66 0.00 0.00 1.43 -1.26 -4.61 118.68 115.68 1ar0 s LEU 123 Ca 0.52 0.13 0.19 0.00 -1.03 0.00 0.00 54.13 53.94 1ar0 s LEU 123 Cb -0.19 -1.95 1.14 0.00 0.03 0.00 0.00 46.19 45.22 1ar0 s LEU 123 CO 0.24 0.34 1.53 1.41 0.23 0.00 0.00 176.35 180.11