#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a63 s ASN 2 N 0.00 6.27 0.36 7.83 2.47 -1.21 0.58 114.94 131.24 1a63 s ASN 2 Ca 0.00 -1.23 0.18 0.00 0.42 0.00 0.00 52.86 52.23 1a63 s ASN 2 Cb 0.00 -2.57 1.23 0.00 -1.45 0.00 0.00 41.25 38.46 1a63 s ASN 2 CO 0.00 -1.71 1.61 0.25 -3.72 0.00 0.00 177.10 173.52 1a63 h LEU 3 N 13.54 0.34 -1.49 3.21 5.85 -1.30 1.84 115.31 137.30 1a63 h LEU 3 Ca 0.14 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1a63 h LEU 3 Cb 1.02 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1a63 h LEU 3 CO 1.38 -0.34 0.33 0.74 -0.34 0.00 0.00 178.44 180.22 1a63 h THR 4 N 0.10 1.13 -0.11 1.05 2.02 -1.84 -0.17 112.91 115.10 1a63 h THR 4 Ca 0.80 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 67.61 1a63 h THR 4 Cb 2.00 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1a63 h THR 4 CO -0.72 0.13 -0.38 1.05 0.37 0.00 0.00 175.52 175.97 1a63 h GLU 5 N 0.69 0.45 -0.37 6.66 4.11 0.24 -0.62 114.58 125.74 1a63 h GLU 5 Ca 0.19 -0.34 0.08 0.00 0.07 0.00 0.00 59.36 59.36 1a63 h GLU 5 Cb -0.07 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.16 1a63 h GLU 5 CO -0.04 0.96 -0.17 1.25 0.07 0.00 0.00 179.01 181.08 1a63 h LEU 6 N 0.04 -0.59 -0.77 3.06 7.12 -0.27 0.96 115.31 124.86 1a63 h LEU 6 Ca -0.02 0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.10 1a63 h LEU 6 Cb 1.01 0.32 -0.04 0.00 -0.53 0.00 0.00 40.66 41.42 1a63 h LEU 6 CO 0.08 -0.21 0.36 0.11 -0.13 0.00 0.00 178.44 178.66 1a63 h LYS 7 N -0.11 1.12 0.00 1.25 1.57 -1.03 -2.02 116.57 117.35 1a63 h LYS 7 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a63 h LYS 7 Cb 0.39 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1a63 h LYS 7 CO -0.44 0.88 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.40 1a63 h ASN 8 N 1.09 0.00 -3.13 0.86 2.35 0.65 -3.41 115.58 114.00 1a63 h ASN 8 Ca 0.26 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.45 1a63 h ASN 8 Cb 0.13 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1a63 h ASN 8 CO -0.03 0.01 0.72 -0.89 -1.65 0.00 0.00 177.43 175.59 1a63 s THR 9 N -4.07 4.65 0.80 2.81 2.01 0.13 -5.01 115.64 116.96 1a63 s THR 9 Ca -0.03 1.96 -0.14 0.00 0.31 0.00 0.00 61.69 63.79 1a63 s THR 9 Cb 0.12 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1a63 s THR 9 CO 0.46 -0.10 1.00 -0.81 -0.69 0.00 0.00 174.62 174.48 1a63 n PRO 10 N 5.81 0.21 -0.24 4.92 -0.04 -1.26 -4.54 135.00 139.85 1a63 n PRO 10 Ca 0.11 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 1a63 n PRO 10 Cb 0.47 -2.27 0.05 0.00 -0.04 0.00 0.00 33.50 31.71 1a63 n PRO 10 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1a63 h VAL 11 N -0.79 0.22 -0.87 0.52 3.04 -1.95 0.18 116.25 116.60 1a63 h VAL 11 Ca -0.46 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.30 1a63 h VAL 11 Cb 1.31 0.22 -0.06 0.00 -2.01 0.00 0.00 31.29 30.74 1a63 h VAL 11 CO 0.44 0.00 0.54 0.28 -1.01 0.00 0.00 177.57 177.83 1a63 h SER 12 N -0.06 0.84 0.59 3.17 0.02 -1.99 0.19 113.55 116.31 1a63 h SER 12 Ca 0.31 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1a63 h SER 12 Cb 0.55 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1a63 h SER 12 CO -0.74 0.53 -0.31 -0.33 -1.14 0.00 0.00 176.83 174.85 1a63 h GLU 13 N 0.97 0.00 -0.24 3.45 4.39 -1.08 -0.76 114.58 121.31 1a63 h GLU 13 Ca 0.39 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.97 1a63 h GLU 13 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1a63 h GLU 13 CO -0.18 0.31 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.60 1a63 h LEU 14 N 0.00 0.69 -0.60 1.33 4.07 0.17 -0.50 115.31 120.47 1a63 h LEU 14 Ca -0.00 -0.50 -0.10 0.00 0.08 0.00 0.00 57.88 57.36 1a63 h LEU 14 Cb 0.68 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1a63 h LEU 14 CO 0.04 1.05 -0.02 0.40 -1.08 0.00 0.00 178.44 178.83 1a63 h ILE 15 N 0.34 1.27 -0.61 1.22 5.03 -0.53 -0.38 117.51 123.85 1a63 h ILE 15 Ca 0.03 -1.17 -0.05 0.00 -0.12 0.00 0.00 64.86 63.54 1a63 h ILE 15 Cb 0.88 0.83 -0.03 0.00 -3.03 0.00 0.00 36.82 35.48 1a63 h ILE 15 CO 0.07 0.42 0.16 0.74 -0.68 0.00 0.00 178.15 178.87 1a63 h THR 16 N 0.96 1.24 -0.50 -0.27 2.02 -1.05 -0.02 112.91 115.30 1a63 h THR 16 Ca 0.17 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 1a63 h THR 16 Cb 0.58 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1a63 h THR 16 CO 0.03 0.33 -0.03 -0.07 0.37 0.00 0.00 175.52 176.15 1a63 h LEU 17 N 0.91 0.84 -0.35 2.58 4.07 -0.68 -0.88 115.31 121.79 1a63 h LEU 17 Ca 0.20 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 1a63 h LEU 17 Cb 0.31 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1a63 h LEU 17 CO -0.00 0.92 -0.08 1.23 -1.08 0.00 0.00 178.44 179.42 1a63 h GLY 18 N 0.98 0.73 1.13 0.83 0.00 -0.47 -2.50 103.07 103.78 1a63 h GLY 18 Ca 0.15 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1a63 h GLY 18 CO 0.03 0.55 0.54 1.05 0.00 0.00 0.00 176.54 178.71 1a63 h GLU 19 N 0.47 1.03 0.00 4.80 -0.00 0.17 1.10 114.58 122.15 1a63 h GLU 19 Ca 0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.36 59.38 1a63 h GLU 19 Cb 0.58 -0.23 -0.00 0.00 -0.00 0.00 0.00 28.75 29.10 1a63 h GLU 19 CO 0.03 0.68 -0.06 -0.91 -0.00 0.00 0.00 179.01 178.75 1a63 h ASN 20 N 1.06 0.00 -0.65 3.06 4.21 -0.75 -1.54 115.58 120.96 1a63 h ASN 20 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1a63 h ASN 20 Cb -0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1a63 h ASN 20 CO -0.08 0.06 0.00 0.23 -1.29 0.00 0.00 177.43 176.35 1a63 n MET 21 N -4.33 3.30 0.00 0.81 2.81 0.54 -4.93 117.12 115.32 1a63 n MET 21 Ca -0.03 -2.75 0.00 0.00 -1.81 0.00 0.00 57.70 53.11 1a63 n MET 21 Cb 0.14 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1a63 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a63 n GLY 22 N 1.22 3.05 3.56 3.03 0.00 0.04 -5.01 105.19 111.08 1a63 n GLY 22 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1a63 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a63 s LEU 23 N 0.00 3.37 0.51 0.99 1.02 0.35 -4.80 118.68 120.11 1a63 s LEU 23 Ca 0.00 -1.04 0.07 0.00 0.02 0.00 0.00 54.13 53.17 1a63 s LEU 23 Cb 0.00 -2.57 0.02 0.00 0.02 0.00 0.00 46.19 43.67 1a63 s LEU 23 CO 0.00 -1.68 0.43 -1.83 0.02 0.00 0.00 176.35 173.29 1a63 s GLU 24 N 5.35 2.33 -1.86 1.70 -1.05 -1.26 0.17 118.70 124.08 1a63 s GLU 24 Ca 0.43 -1.84 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1a63 s GLU 24 Cb -0.03 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 1a63 s GLU 24 CO -0.00 -0.51 0.00 0.09 0.95 0.00 0.00 175.26 175.79 1a63 n ASN 25 N -1.73 -5.16 0.00 0.83 5.03 -1.26 -4.85 115.26 108.11 1a63 n ASN 25 Ca 0.02 0.39 0.12 0.00 0.87 0.00 0.00 54.58 55.98 1a63 n ASN 25 Cb 0.63 -4.23 0.60 0.00 -1.02 0.00 0.00 39.78 35.76 1a63 n ASN 25 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1a63 n LEU 26 N -2.09 0.00 -0.38 3.41 4.32 -1.26 -3.70 117.00 117.29 1a63 n LEU 26 Ca -0.18 0.38 0.35 0.00 -0.02 0.00 0.00 56.01 56.54 1a63 n LEU 26 Cb 0.60 -0.38 0.71 0.00 -1.62 0.00 0.00 43.42 42.72 1a63 n LEU 26 CO 0.27 -0.05 1.32 0.00 -1.22 0.00 0.00 177.39 177.70 1a63 h ALA 27 N 3.07 3.02 -0.00 -1.18 0.00 -1.96 2.32 119.26 124.53 1a63 h ALA 27 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a63 h ALA 27 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1a63 h ALA 27 CO 0.00 -1.43 -0.01 2.89 0.00 0.00 0.00 179.25 180.70 1a63 n ARG 28 N -4.28 0.83 -3.74 0.00 -4.01 -1.24 -4.85 116.66 99.37 1a63 n ARG 28 Ca 0.29 -0.06 -0.20 0.00 -1.04 0.00 0.00 57.85 56.84 1a63 n ARG 28 Cb 1.29 -1.50 -0.02 0.00 -3.04 0.00 0.00 32.46 29.20 1a63 n ARG 28 CO 0.00 0.00 0.00 -1.64 -3.04 0.00 0.00 177.63 172.95 1a63 s MET 29 N -2.21 3.21 0.51 2.89 -1.94 0.78 -5.12 119.30 117.43 1a63 s MET 29 Ca 0.40 -0.93 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1a63 s MET 29 Cb 0.21 -2.81 -0.00 0.00 2.01 0.00 0.00 34.83 34.25 1a63 s MET 29 CO 0.40 0.23 0.78 0.50 -0.01 0.00 0.00 175.02 176.93 1a63 s ARG 30 N -4.06 3.04 0.25 2.03 3.52 -1.26 -4.88 118.95 117.58 1a63 s ARG 30 Ca 0.39 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.73 1a63 s ARG 30 Cb -0.09 -2.42 0.40 0.00 -1.56 0.00 0.00 34.95 31.28 1a63 s ARG 30 CO 0.30 -0.45 1.82 -0.22 -0.81 0.00 0.00 175.30 175.93 1a63 h LYS 31 N 0.13 0.84 0.29 5.12 3.64 -1.96 -0.34 116.57 124.28 1a63 h LYS 31 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1a63 h LYS 31 Cb 1.25 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1a63 h LYS 31 CO 0.59 0.55 -0.14 -0.56 -2.27 0.00 0.00 179.45 177.63 1a63 h GLN 32 N 0.86 -0.37 -0.52 1.90 -0.00 -1.99 -0.39 115.11 114.60 1a63 h GLN 32 Ca 0.40 0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.97 1a63 h GLN 32 Cb 0.33 0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.88 1a63 h GLN 32 CO -0.23 -0.13 -0.10 0.38 -0.00 0.00 0.00 178.83 178.75 1a63 h ASP 33 N -0.57 0.99 -0.83 0.06 3.04 -1.93 -1.48 116.42 115.70 1a63 h ASP 33 Ca -0.04 -0.35 -0.02 0.00 -3.24 0.00 0.00 57.03 53.37 1a63 h ASP 33 Cb 0.42 -0.27 -0.04 0.00 -1.04 0.00 0.00 39.33 38.40 1a63 h ASP 33 CO 0.06 1.11 0.43 0.40 -2.04 0.00 0.00 179.24 179.21 1a63 h ILE 34 N 0.86 1.25 -0.43 4.15 2.04 -1.04 -0.81 117.51 123.54 1a63 h ILE 34 Ca 0.13 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 1a63 h ILE 34 Cb 0.67 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1a63 h ILE 34 CO 0.05 0.29 -0.19 -0.29 0.00 0.00 0.00 178.15 178.01 1a63 h ILE 35 N 1.18 1.27 -0.56 -0.67 2.10 -0.78 -2.25 117.51 117.80 1a63 h ILE 35 Ca 0.29 -1.31 -0.02 0.00 1.08 0.00 0.00 64.86 64.90 1a63 h ILE 35 Cb 0.07 1.14 -0.03 0.00 -1.09 0.00 0.00 36.82 36.92 1a63 h ILE 35 CO -0.04 0.45 0.27 -0.26 -1.08 0.00 0.00 178.15 177.49 1a63 h PHE 36 N 0.74 0.80 0.27 2.19 0.04 -0.67 -0.05 116.94 120.26 1a63 h PHE 36 Ca 0.11 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1a63 h PHE 36 Cb 0.72 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 1a63 h PHE 36 CO 0.04 0.61 -0.25 0.00 -0.60 0.00 0.00 178.31 178.11 1a63 h ALA 37 N 1.11 -0.54 -0.65 2.45 0.00 -0.93 0.20 119.26 120.91 1a63 h ALA 37 Ca 0.19 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1a63 h ALA 37 Cb 0.11 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1a63 h ALA 37 CO -0.03 -0.83 0.45 0.82 0.00 0.00 0.00 179.25 179.66 1a63 h ILE 38 N -0.55 0.77 -0.45 0.00 2.04 -1.13 0.14 117.51 118.34 1a63 h ILE 38 Ca -0.01 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1a63 h ILE 38 Cb 0.50 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1a63 h ILE 38 CO -0.05 0.04 -0.21 -0.07 0.00 0.00 0.00 178.15 177.86 1a63 h LEU 39 N 0.23 0.97 -0.71 1.44 3.38 0.10 -0.16 115.31 120.56 1a63 h LEU 39 Ca 0.31 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1a63 h LEU 39 Cb 0.91 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1a63 h LEU 39 CO -0.06 1.15 -0.04 0.11 0.09 0.00 0.00 178.44 179.69 1a63 h LYS 40 N 0.78 0.95 0.06 1.13 1.57 0.19 0.17 116.57 121.42 1a63 h LYS 40 Ca 0.10 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1a63 h LYS 40 Cb 0.79 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1a63 h LYS 40 CO 0.07 0.97 -0.03 1.96 -0.57 0.00 0.00 179.45 181.84 1a63 h GLN 41 N 0.87 -0.08 -0.47 3.15 1.08 -0.88 0.14 115.11 118.92 1a63 h GLN 41 Ca 0.15 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.30 1a63 h GLN 41 Cb 0.57 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1a63 h GLN 41 CO 0.03 0.52 0.06 1.25 -0.95 0.00 0.00 178.83 179.74 1a63 h HIS 42 N -0.88 0.77 0.02 2.96 2.76 -1.09 -2.74 115.15 116.96 1a63 h HIS 42 Ca -0.01 -0.08 -0.21 0.00 -2.20 0.00 0.00 60.37 57.87 1a63 h HIS 42 Cb 0.63 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1a63 h HIS 42 CO 0.15 0.69 -0.94 0.00 -1.30 0.00 0.00 177.93 176.53 1a63 h ALA 43 N 1.35 0.45 -0.85 5.26 0.00 -1.04 -3.22 119.26 121.21 1a63 h ALA 43 Ca 0.15 -0.78 0.21 0.00 0.00 0.00 0.00 54.91 54.49 1a63 h ALA 43 Cb 0.35 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 17.93 1a63 h ALA 43 CO 0.01 0.99 0.29 -0.22 0.00 0.00 0.00 179.25 180.32 1a63 h LYS 44 N 0.07 0.29 0.00 0.00 1.63 -0.38 3.05 116.57 121.23 1a63 h LYS 44 Ca -0.05 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1a63 h LYS 44 Cb 1.60 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1a63 h LYS 44 CO 0.14 0.19 0.00 0.43 -3.45 0.00 0.00 179.45 176.76 1a63 n SER 45 N -5.14 0.08 -1.86 4.20 7.64 -1.21 -4.84 113.62 112.48 1a63 n SER 45 Ca 0.20 0.52 -0.15 0.00 1.01 0.00 0.00 58.87 60.45 1a63 n SER 45 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1a63 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a63 n GLY 46 N -0.47 -0.23 3.93 0.23 0.00 1.02 -5.01 105.19 104.66 1a63 n GLY 46 Ca 0.02 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1a63 n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a63 s GLU 47 N -4.93 2.17 0.34 1.61 -1.05 -1.25 -5.00 118.70 110.58 1a63 s GLU 47 Ca 0.06 -0.25 -0.29 0.00 -0.15 0.00 0.00 54.97 54.35 1a63 s GLU 47 Cb -0.03 -2.16 -0.11 0.00 -0.44 0.00 0.00 34.13 31.40 1a63 s GLU 47 CO 0.08 -1.27 1.50 -0.51 0.95 0.00 0.00 175.26 176.01 1a63 s ASP 48 N -4.53 6.42 -0.15 0.83 1.01 -1.26 -4.90 116.67 114.10 1a63 s ASP 48 Ca 0.60 2.95 -0.24 0.00 0.71 0.00 0.00 52.55 56.58 1a63 s ASP 48 Cb -0.11 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 41.23 1a63 s ASP 48 CO 0.45 -0.84 0.60 0.27 0.21 0.00 0.00 175.17 175.86 1a63 s ILE 49 N -0.68 0.01 0.18 0.77 -4.36 -1.26 -4.69 121.20 111.16 1a63 s ILE 49 Ca 0.56 -0.05 -0.03 0.00 -0.26 0.00 0.00 60.65 60.87 1a63 s ILE 49 Cb -0.46 -0.87 -0.03 0.00 1.25 0.00 0.00 42.46 42.35 1a63 s ILE 49 CO 0.56 -0.03 0.16 0.72 0.24 0.00 0.00 174.94 176.59 1a63 s PHE 50 N -0.31 0.92 0.33 1.37 -0.12 0.20 -3.17 117.98 117.19 1a63 s PHE 50 Ca -0.05 -1.21 0.09 0.00 -0.05 0.00 0.00 56.93 55.71 1a63 s PHE 50 Cb -0.03 -0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 41.89 1a63 s PHE 50 CO 0.04 -0.65 -0.00 0.20 -0.05 0.00 0.00 175.22 174.76 1a63 s GLY 51 N -3.09 2.04 -0.07 1.99 0.00 -0.22 -0.74 107.32 107.22 1a63 s GLY 51 Ca 0.31 -1.94 -0.31 0.00 0.00 0.00 0.00 44.72 42.77 1a63 s GLY 51 CO 0.08 -1.90 1.12 0.51 0.00 0.00 0.00 173.10 172.91 1a63 s ASP 52 N -3.70 -0.18 0.00 1.64 -4.77 -1.26 -1.55 116.67 106.85 1a63 s ASP 52 Ca 0.34 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 1a63 s ASP 52 Cb -0.01 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.07 1a63 s ASP 52 CO 0.19 -0.42 0.00 0.61 0.70 0.00 0.00 175.17 176.25 1a63 n GLY 53 N -0.25 0.18 2.94 2.12 0.00 -0.40 -4.62 105.19 105.15 1a63 n GLY 53 Ca -0.04 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 1a63 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a63 s VAL 54 N -3.90 1.19 1.00 1.61 1.01 -0.25 -1.18 120.40 119.88 1a63 s VAL 54 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 1a63 s VAL 54 Cb 0.00 -1.18 0.19 0.00 0.00 0.00 0.00 36.38 35.39 1a63 s VAL 54 CO 0.00 0.38 1.09 -0.76 0.00 0.00 0.00 175.10 175.81 1a63 s LEU 55 N 1.64 2.02 -0.07 3.92 1.43 -0.03 -2.48 118.68 125.11 1a63 s LEU 55 Ca 0.05 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 1a63 s LEU 55 Cb -0.13 -4.04 0.04 0.00 0.03 0.00 0.00 46.19 42.10 1a63 s LEU 55 CO -0.09 -3.38 0.11 -0.70 0.23 0.00 0.00 176.35 172.52 1a63 s GLU 56 N -4.64 -0.01 0.67 1.70 2.12 0.85 0.13 118.70 119.50 1a63 s GLU 56 Ca 0.66 0.45 -0.11 0.00 0.36 0.00 0.00 54.97 56.33 1a63 s GLU 56 Cb -0.22 -0.47 -0.01 0.00 0.26 0.00 0.00 34.13 33.69 1a63 s GLU 56 CO 0.60 -0.34 1.06 0.42 -0.54 0.00 0.00 175.26 176.46 1a63 s ILE 57 N 2.23 4.00 -0.02 -3.70 -1.09 -1.26 -1.08 121.20 120.28 1a63 s ILE 57 Ca 0.04 0.63 0.03 0.00 -2.23 0.00 0.00 60.65 59.12 1a63 s ILE 57 Cb -0.12 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1a63 s ILE 57 CO -0.05 -0.84 -0.09 -0.76 -1.23 0.00 0.00 174.94 171.97 1a63 s LEU 58 N -5.27 1.81 0.43 2.97 1.02 0.69 -4.86 118.68 115.47 1a63 s LEU 58 Ca 0.57 -0.19 0.32 0.00 0.02 0.00 0.00 54.13 54.84 1a63 s LEU 58 Cb -0.11 -0.55 1.48 0.00 0.02 0.00 0.00 46.19 47.02 1a63 s LEU 58 CO 0.52 0.07 1.56 1.67 0.02 0.00 0.00 176.35 180.20 1a63 n GLN 59 N 3.25 -0.04 0.00 1.70 7.27 -1.26 0.16 117.38 128.45 1a63 n GLN 59 Ca -0.18 1.26 0.01 0.00 0.07 0.00 0.00 57.00 58.16 1a63 n GLN 59 Cb 0.54 -2.47 0.06 0.00 2.41 0.00 0.00 30.24 30.78 1a63 n GLN 59 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1a63 n ASP 60 N -4.75 0.00 0.00 1.69 8.00 -1.26 -4.80 116.55 115.43 1a63 n ASP 60 Ca 0.40 0.27 0.00 0.00 0.71 0.00 0.00 54.79 56.17 1a63 n ASP 60 Cb 1.54 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.35 1a63 n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a63 n GLY 61 N -1.11 0.73 2.40 0.44 0.00 0.42 -5.05 105.19 103.03 1a63 n GLY 61 Ca 0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1a63 n GLY 61 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1a63 n PHE 62 N -2.51 -0.07 -3.87 1.61 -1.74 -1.23 -3.90 117.46 105.75 1a63 n PHE 62 Ca 0.00 -1.93 -0.08 0.00 -0.56 0.00 0.00 57.45 54.88 1a63 n PHE 62 Cb 0.00 0.05 -0.01 0.00 1.52 0.00 0.00 39.48 41.04 1a63 n PHE 62 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 1a63 s GLY 63 N -2.78 0.14 0.12 4.97 0.00 0.16 -0.22 107.32 109.70 1a63 s GLY 63 Ca 0.18 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1a63 s GLY 63 CO 0.13 -0.23 -0.14 -1.36 0.00 0.00 0.00 173.10 171.50 1a63 s PHE 64 N -3.51 1.37 -0.14 1.90 0.08 -0.24 0.05 117.98 117.48 1a63 s PHE 64 Ca 0.14 -0.55 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1a63 s PHE 64 Cb -0.05 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.63 1a63 s PHE 64 CO 0.09 0.13 0.20 -1.17 -0.10 0.00 0.00 175.22 174.37 1a63 s LEU 65 N -2.39 4.30 0.00 -0.37 0.20 -0.28 -0.11 118.68 120.03 1a63 s LEU 65 Ca 0.08 0.45 0.02 0.00 0.69 0.00 0.00 54.13 55.37 1a63 s LEU 65 Cb -0.05 -2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 43.50 1a63 s LEU 65 CO 0.03 0.25 0.07 -2.11 -0.29 0.00 0.00 176.35 174.30 1a63 n ARG 66 N 2.85 0.43 0.00 1.98 1.85 -1.03 -1.23 116.66 121.51 1a63 n ARG 66 Ca -0.16 -1.07 0.00 0.00 -1.00 0.00 0.00 57.85 55.62 1a63 n ARG 66 Cb 0.53 0.75 0.00 0.00 -1.05 0.00 0.00 32.46 32.69 1a63 n ARG 66 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1a63 n SER 67 N -2.29 -0.04 0.00 2.89 7.64 -1.26 -1.09 113.62 119.47 1a63 n SER 67 Ca 0.01 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1a63 n SER 67 Cb 0.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1a63 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a63 n ALA 68 N -3.00 1.03 -0.63 -0.43 0.00 -1.26 -4.19 120.51 112.02 1a63 n ALA 68 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1a63 n ALA 68 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1a63 n ALA 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a63 n ASP 69 N -0.03 4.57 0.00 0.00 8.00 -1.26 -3.44 116.55 124.39 1a63 n ASP 69 Ca 0.00 -2.28 0.00 0.00 0.71 0.00 0.00 54.79 53.22 1a63 n ASP 69 Cb 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a63 n SER 70 N 2.04 0.16 0.00 -2.24 3.41 -1.26 -4.96 113.62 110.77 1a63 n SER 70 Ca 0.17 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1a63 n SER 70 Cb 0.60 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1a63 n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a63 n SER 71 N -0.52 0.00 0.00 4.04 7.64 -1.24 -5.01 113.62 118.52 1a63 n SER 71 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 71 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1a63 n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a63 n TYR 72 N 0.00 0.00 -2.04 1.43 4.02 -1.22 -4.91 117.16 114.44 1a63 n TYR 72 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1a63 n TYR 72 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1a63 n TYR 72 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1a63 n LEU 73 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.04 117.00 123.18 1a63 n LEU 73 Ca 0.00 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1a63 n LEU 73 Cb 0.00 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1a63 n LEU 73 CO 0.00 -0.73 0.00 0.00 -1.33 0.00 0.00 177.39 175.33 1a63 n ALA 74 N -3.08 0.00 -3.61 -1.18 0.00 -1.26 -4.80 120.51 106.58 1a63 n ALA 74 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1a63 n ALA 74 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.65 1a63 n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1a63 s GLY 75 N -0.30 -0.31 0.17 0.00 0.00 -1.26 -5.01 107.32 100.61 1a63 s GLY 75 Ca 0.00 1.45 -0.10 0.00 0.00 0.00 0.00 44.72 46.06 1a63 s GLY 75 CO 0.00 0.45 1.67 -0.56 0.00 0.00 0.00 173.10 174.66 1a63 h PRO 76 N 2.00 0.99 -0.83 2.90 0.13 -2.02 -2.93 132.00 132.24 1a63 h PRO 76 Ca -0.13 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a63 h PRO 76 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a63 h PRO 76 CO 0.23 0.93 0.00 -0.25 -0.23 0.00 0.00 178.00 178.69 1a63 n ASP 77 N -4.30 2.76 -3.79 1.44 8.00 -1.26 -4.91 116.55 114.50 1a63 n ASP 77 Ca 0.03 -2.34 0.00 0.00 0.71 0.00 0.00 54.79 53.19 1a63 n ASP 77 Cb 0.28 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1a63 n ASP 77 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a63 n ASP 78 N 0.24 0.00 -4.23 -2.24 9.92 -1.11 -5.00 116.55 114.13 1a63 n ASP 78 Ca 0.10 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.05 1a63 n ASP 78 Cb 0.60 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.91 1a63 n ASP 78 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1a63 s ILE 79 N 0.00 2.04 0.41 0.53 -1.09 -0.36 -4.75 121.20 117.97 1a63 s ILE 79 Ca 0.00 -1.02 -0.23 0.00 -2.23 0.00 0.00 60.65 57.17 1a63 s ILE 79 Cb 0.00 -1.75 -0.09 0.00 -1.58 0.00 0.00 42.46 39.04 1a63 s ILE 79 CO 0.00 0.56 1.01 -0.47 -1.23 0.00 0.00 174.94 174.81 1a63 s TYR 80 N 0.19 3.28 -0.14 3.97 6.14 -0.12 -1.13 117.35 129.54 1a63 s TYR 80 Ca -0.14 1.64 -0.04 0.00 0.64 0.00 0.00 57.07 59.17 1a63 s TYR 80 Cb -0.17 -3.03 0.07 0.00 0.42 0.00 0.00 41.96 39.25 1a63 s TYR 80 CO 0.07 -0.46 0.22 0.08 0.64 0.00 0.00 175.55 176.11 1a63 s VAL 81 N -1.82 -0.35 0.73 3.14 1.01 0.11 -0.86 120.40 122.36 1a63 s VAL 81 Ca 0.59 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1a63 s VAL 81 Cb -0.18 -0.48 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1a63 s VAL 81 CO 0.23 0.02 1.07 -0.44 0.00 0.00 0.00 175.10 175.98 1a63 s SER 82 N 2.36 5.06 0.03 3.32 0.01 -1.26 -0.66 113.70 122.56 1a63 s SER 82 Ca 0.04 1.51 -0.25 0.00 1.31 0.00 0.00 55.95 58.56 1a63 s SER 82 Cb -0.13 -2.34 -0.18 0.00 0.21 0.00 0.00 66.02 63.59 1a63 s SER 82 CO -0.09 -1.63 1.46 1.55 0.41 0.00 0.00 173.24 174.93 1a63 h PRO 83 N -0.85 -0.09 -0.96 12.44 0.13 -1.92 -1.48 132.00 139.27 1a63 h PRO 83 Ca -0.45 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 64.96 1a63 h PRO 83 Cb 1.23 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1a63 h PRO 83 CO 0.58 0.17 0.46 0.66 -0.23 0.00 0.00 178.00 179.64 1a63 h SER 84 N -0.36 0.39 0.72 1.44 4.64 -1.93 2.13 113.55 120.58 1a63 h SER 84 Ca -0.01 0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1a63 h SER 84 Cb 0.31 0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1a63 h SER 84 CO 0.02 -0.08 -0.35 1.56 -0.87 0.00 0.00 176.83 177.11 1a63 h GLN 85 N 0.35 -0.93 0.30 4.77 1.08 -1.78 2.07 115.11 120.96 1a63 h GLN 85 Ca 0.65 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.91 1a63 h GLN 85 Cb 1.37 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 28.99 1a63 h GLN 85 CO -0.59 -0.60 -0.34 0.82 -0.95 0.00 0.00 178.83 177.18 1a63 h ILE 86 N -1.09 0.30 -0.84 2.54 2.04 0.42 -2.29 117.51 118.58 1a63 h ILE 86 Ca -0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1a63 h ILE 86 Cb 0.77 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1a63 h ILE 86 CO 0.16 0.00 0.53 0.03 0.00 0.00 0.00 178.15 178.88 1a63 h ARG 87 N -0.68 1.00 -0.77 2.37 3.08 0.34 -0.12 114.38 119.59 1a63 h ARG 87 Ca -0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a63 h ARG 87 Cb 0.63 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1a63 h ARG 87 CO -0.09 0.66 0.51 0.00 -1.07 0.00 0.00 179.97 179.98 1a63 h ARG 88 N 1.03 1.02 -0.37 0.04 2.47 0.38 -2.86 114.38 116.09 1a63 h ARG 88 Ca 0.34 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1a63 h ARG 88 Cb 0.04 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 1a63 h ARG 88 CO -0.13 0.68 0.00 1.19 0.56 0.00 0.00 179.97 182.27 1a63 n PHE 89 N -4.42 0.63 -3.08 3.04 3.72 -0.90 -4.98 117.46 111.47 1a63 n PHE 89 Ca 0.08 -0.57 -0.13 0.00 -0.05 0.00 0.00 57.45 56.79 1a63 n PHE 89 Cb 0.03 -0.08 0.07 0.00 -0.94 0.00 0.00 39.48 38.55 1a63 n PHE 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1a63 n ASN 90 N 0.45 -3.39 -1.95 4.37 2.85 -0.18 -5.03 115.26 112.39 1a63 n ASN 90 Ca 0.15 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 54.09 1a63 n ASN 90 Cb 0.54 -4.29 0.00 0.00 1.24 0.00 0.00 39.78 37.27 1a63 n ASN 90 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1a63 n LEU 91 N -3.32 0.00 -3.49 1.20 4.77 -0.51 -5.03 117.00 110.62 1a63 n LEU 91 Ca -0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1a63 n LEU 91 Cb 0.62 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1a63 n LEU 91 CO 0.49 -0.45 0.40 -0.13 -1.33 0.00 0.00 177.39 176.37 1a63 s ARG 92 N -2.10 1.34 0.74 3.23 0.52 -1.26 -4.91 118.95 116.50 1a63 s ARG 92 Ca 0.00 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 54.52 1a63 s ARG 92 Cb 0.00 0.59 0.04 0.00 0.52 0.00 0.00 34.95 36.10 1a63 s ARG 92 CO 0.00 -0.59 1.16 -0.08 0.02 0.00 0.00 175.30 175.81 1a63 s THR 93 N -3.78 2.62 0.00 0.02 -1.32 -1.26 -1.57 115.64 110.35 1a63 s THR 93 Ca 0.03 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1a63 s THR 93 Cb -0.02 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1a63 s THR 93 CO -0.10 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1a63 n GLY 94 N -0.02 2.15 3.77 6.08 0.00 0.34 -4.90 105.19 112.61 1a63 n GLY 94 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1a63 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a63 s ASP 95 N -3.46 5.57 -0.24 1.61 1.11 -0.61 -4.62 116.67 116.03 1a63 s ASP 95 Ca 0.00 2.27 -0.19 0.00 0.18 0.00 0.00 52.55 54.81 1a63 s ASP 95 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1a63 s ASP 95 CO 0.00 -1.32 0.54 -0.89 1.18 0.00 0.00 175.17 174.68 1a63 s THR 96 N -1.69 5.06 0.17 -1.27 2.01 -1.26 -0.85 115.64 117.82 1a63 s THR 96 Ca 0.74 0.96 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 1a63 s THR 96 Cb -0.27 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1a63 s THR 96 CO 0.30 0.10 0.22 -0.63 -0.69 0.00 0.00 174.62 173.92 1a63 s ILE 97 N 2.16 0.06 -0.15 1.82 1.01 -0.32 -0.87 121.20 124.90 1a63 s ILE 97 Ca 0.23 -1.63 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 1a63 s ILE 97 Cb -0.16 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.31 1a63 s ILE 97 CO 0.09 -0.26 0.39 -0.94 0.00 0.00 0.00 174.94 174.23 1a63 s SER 98 N -3.03 -0.41 0.28 3.58 1.04 -0.91 -1.28 113.70 112.97 1a63 s SER 98 Ca 0.23 0.79 -0.18 0.00 0.48 0.00 0.00 55.95 57.28 1a63 s SER 98 Cb 0.05 0.80 0.07 0.00 0.10 0.00 0.00 66.02 67.03 1a63 s SER 98 CO 0.04 -0.14 0.90 0.61 0.98 0.00 0.00 173.24 175.62 1a63 n GLY 99 N 2.90 0.80 3.88 7.32 0.00 -0.59 -0.39 105.19 119.11 1a63 n GLY 99 Ca -0.13 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 1a63 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a63 s LYS 100 N -2.07 3.73 0.23 1.61 -2.85 -0.26 -1.06 119.74 119.07 1a63 s LYS 100 Ca 0.19 0.37 0.10 0.00 -1.00 0.00 0.00 55.97 55.63 1a63 s LYS 100 Cb -0.04 -2.43 -0.05 0.00 -2.06 0.00 0.00 37.83 33.26 1a63 s LYS 100 CO 0.08 -0.02 -0.19 0.96 0.10 0.00 0.00 175.35 176.29 1a63 s ILE 101 N -2.37 2.17 0.17 3.79 -4.36 -1.19 -0.50 121.20 118.91 1a63 s ILE 101 Ca 0.50 -2.24 -0.24 0.00 -0.26 0.00 0.00 60.65 58.41 1a63 s ILE 101 Cb -0.10 -2.14 0.06 0.00 1.25 0.00 0.00 42.46 41.52 1a63 s ILE 101 CO 0.33 -0.40 0.83 -0.13 0.24 0.00 0.00 174.94 175.81 1a63 s ARG 102 N -3.33 1.34 -0.21 0.37 0.52 -0.35 -4.81 118.95 112.48 1a63 s ARG 102 Ca 0.25 -0.69 -0.20 0.00 -0.52 0.00 0.00 55.73 54.56 1a63 s ARG 102 Cb -0.04 0.49 -0.02 0.00 0.52 0.00 0.00 34.95 35.89 1a63 s ARG 102 CO 0.11 -0.61 0.61 -1.25 0.02 0.00 0.00 175.30 174.19 1a63 s PRO 103 N -3.51 4.19 0.00 3.54 0.04 -1.26 -1.11 135.00 136.89 1a63 s PRO 103 Ca 0.10 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1a63 s PRO 103 Cb -0.03 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1a63 s PRO 103 CO 0.00 -0.26 0.00 -0.35 0.04 0.00 0.00 177.00 176.43 1a63 n PRO 104 N 5.15 0.00 -3.96 0.56 -0.04 -1.26 -4.99 135.00 130.46 1a63 n PRO 104 Ca -0.02 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.19 1a63 n PRO 104 Cb 0.50 -0.20 -0.04 0.00 -0.04 0.00 0.00 33.50 33.72 1a63 n PRO 104 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a63 n LYS 105 N 0.00 0.93 0.18 0.54 4.76 -1.26 -4.99 118.16 118.33 1a63 n LYS 105 Ca 0.00 -2.99 0.17 0.00 -2.87 0.00 0.00 58.31 52.62 1a63 n LYS 105 Cb 0.00 0.65 0.81 0.00 -1.84 0.00 0.00 35.03 34.65 1a63 n LYS 105 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1a63 h GLU 106 N 0.00 0.00 -1.83 1.97 4.39 -2.04 -0.55 114.58 116.52 1a63 h GLU 106 Ca -0.33 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.14 1a63 h GLU 106 Cb 1.05 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.61 1a63 h GLU 106 CO 0.54 0.00 0.15 0.41 -1.16 0.00 0.00 179.01 178.94 1a63 n GLY 107 N -1.43 3.46 1.95 -3.84 0.00 -1.26 -4.50 105.19 99.57 1a63 n GLY 107 Ca 0.02 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 1a63 n GLY 107 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1a63 n GLU 108 N 1.16 1.99 -0.09 1.61 0.28 -0.22 -4.76 120.64 120.62 1a63 n GLU 108 Ca 0.26 -2.13 0.05 0.00 -0.16 0.00 0.00 57.16 55.18 1a63 n GLU 108 Cb 0.61 -1.83 0.09 0.00 1.43 0.00 0.00 31.44 31.74 1a63 n GLU 108 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a63 n ARG 109 N -0.37 -0.02 -4.17 3.44 5.12 -1.26 -3.97 116.66 115.43 1a63 n ARG 109 Ca 0.42 0.38 -0.26 0.00 -1.93 0.00 0.00 57.85 56.45 1a63 n ARG 109 Cb 0.95 -0.62 -0.07 0.00 -1.16 0.00 0.00 32.46 31.57 1a63 n ARG 109 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1a63 s TYR 110 N -4.86 2.94 0.96 -1.55 1.51 -1.26 -5.11 117.35 109.97 1a63 s TYR 110 Ca -0.03 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 1a63 s TYR 110 Cb 0.08 -1.42 0.17 0.00 -0.11 0.00 0.00 41.96 40.68 1a63 s TYR 110 CO 0.20 0.52 1.09 -0.06 -1.11 0.00 0.00 175.55 176.19 1a63 s PHE 111 N -1.74 2.02 0.15 2.71 0.08 -1.25 -4.75 117.98 115.20 1a63 s PHE 111 Ca 0.29 1.29 0.09 0.00 0.12 0.00 0.00 56.93 58.72 1a63 s PHE 111 Cb -0.09 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1a63 s PHE 111 CO 0.20 -2.78 -0.21 0.00 -0.10 0.00 0.00 175.22 172.33 1a63 s ALA 112 N -2.81 2.12 0.66 5.36 0.00 -0.26 -0.95 121.76 125.89 1a63 s ALA 112 Ca 0.65 -1.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 1a63 s ALA 112 Cb -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1a63 s ALA 112 CO 0.59 0.35 1.15 -1.17 0.00 0.00 0.00 175.76 176.69 1a63 s LEU 113 N -2.38 3.43 0.20 0.00 2.96 -0.04 -1.21 118.68 121.63 1a63 s LEU 113 Ca 0.14 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1a63 s LEU 113 Cb -0.08 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.04 1a63 s LEU 113 CO 0.07 -1.80 0.00 -0.11 -1.32 0.00 0.00 176.35 173.18 1a63 n LEU 114 N -2.32 0.38 -4.48 -0.68 7.94 0.34 -4.58 117.00 113.60 1a63 n LEU 114 Ca 0.12 0.32 -0.33 0.00 -1.11 0.00 0.00 56.01 55.01 1a63 n LEU 114 Cb 0.51 0.07 -0.13 0.00 0.53 0.00 0.00 43.42 44.40 1a63 n LEU 114 CO 0.47 -0.75 -0.45 -1.59 -1.11 0.00 0.00 177.39 173.95 1a63 s LYS 115 N -2.00 2.51 -0.14 1.96 -2.85 -0.99 -4.92 119.74 113.31 1a63 s LYS 115 Ca 0.00 -0.69 -0.18 0.00 -1.00 0.00 0.00 55.97 54.10 1a63 s LYS 115 Cb 0.00 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.35 1a63 s LYS 115 CO 0.00 0.62 0.47 0.08 0.10 0.00 0.00 175.35 176.62 1a63 s VAL 116 N -0.73 5.18 -0.16 1.79 1.01 -1.26 -1.11 120.40 125.12 1a63 s VAL 116 Ca 0.11 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1a63 s VAL 116 Cb -0.11 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 1a63 s VAL 116 CO 0.01 0.30 -0.12 0.59 0.00 0.00 0.00 175.10 175.88 1a63 n ASN 117 N 3.90 2.54 -3.95 3.32 3.02 0.48 -4.95 115.26 119.61 1a63 n ASN 117 Ca -0.07 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.32 1a63 n ASN 117 Cb 0.51 -0.10 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1a63 n ASN 117 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1a63 s GLU 118 N -2.34 0.65 -0.28 3.52 2.12 -0.74 -4.60 118.70 117.04 1a63 s GLU 118 Ca -0.20 -0.91 -0.17 0.00 0.36 0.00 0.00 54.97 54.05 1a63 s GLU 118 Cb 0.06 0.25 0.08 0.00 0.26 0.00 0.00 34.13 34.77 1a63 s GLU 118 CO 0.41 -0.16 0.68 0.08 -0.54 0.00 0.00 175.26 175.73 1a63 s VAL 119 N -3.20 -0.00 -1.46 3.70 1.01 -1.16 -2.14 120.40 117.15 1a63 s VAL 119 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1a63 s VAL 119 Cb 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1a63 s VAL 119 CO -0.07 0.00 0.47 0.59 0.00 0.00 0.00 175.10 176.09 1a63 n ASN 120 N 4.16 -0.83 -2.90 3.32 5.03 -0.05 -0.54 115.26 123.44 1a63 n ASN 120 Ca -0.19 -1.01 -0.11 0.00 0.87 0.00 0.00 54.58 54.14 1a63 n ASN 120 Cb 0.59 -2.99 -0.01 0.00 -1.02 0.00 0.00 39.78 36.34 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1a63 n PHE 121 N -4.41 -1.76 -4.16 3.10 7.35 -1.26 -4.87 117.46 111.44 1a63 n PHE 121 Ca -0.25 0.16 -0.10 0.00 -0.76 0.00 0.00 57.45 56.50 1a63 n PHE 121 Cb 0.65 -1.61 -0.10 0.00 0.35 0.00 0.00 39.48 38.77 1a63 n PHE 121 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1a63 s ASP 122 N -2.28 0.36 0.32 -2.13 1.01 0.30 -5.14 116.67 109.11 1a63 s ASP 122 Ca 0.17 -1.23 -0.26 0.00 0.71 0.00 0.00 52.55 51.94 1a63 s ASP 122 Cb -0.10 0.29 -0.10 0.00 1.01 0.00 0.00 42.92 44.03 1a63 s ASP 122 CO 0.21 -0.73 0.98 -0.54 0.21 0.00 0.00 175.17 175.30 1a63 s LYS 123 N -4.05 4.54 0.00 8.23 3.01 -1.26 -3.00 119.74 127.21 1a63 s LYS 123 Ca 0.26 1.43 -0.01 0.00 -1.01 0.00 0.00 55.97 56.64 1a63 s LYS 123 Cb 0.07 -2.85 -0.05 0.00 -1.01 0.00 0.00 37.83 34.00 1a63 s LYS 123 CO 0.03 0.22 1.70 -0.35 0.51 0.00 0.00 175.35 177.46 1a63 n PRO 124 N 0.61 0.86 0.00 -1.68 -0.04 -1.26 -4.71 135.00 128.78 1a63 n PRO 124 Ca 0.02 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1a63 n PRO 124 Cb 0.49 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1a63 n PRO 124 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a63 n GLU 125 N 1.92 0.00 0.00 0.54 4.07 -1.26 -5.12 120.64 120.79 1a63 n GLU 125 Ca 0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1a63 n GLU 125 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1a63 n GLU 125 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1a63 n ASN 126 N 0.00 0.00 0.00 4.31 5.03 -1.26 -4.95 115.26 118.39 1a63 n ASN 126 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1a63 n ASN 126 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a63 n ALA 127 N 0.00 0.67 -2.17 5.41 0.00 -1.26 -5.12 120.51 118.04 1a63 n ALA 127 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1a63 n ALA 127 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1a63 n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a63 s ARG 128 N 0.00 1.02 0.05 0.00 1.81 -1.26 -5.16 118.95 115.41 1a63 s ARG 128 Ca 0.00 -1.51 0.08 0.00 -1.72 0.00 0.00 55.73 52.59 1a63 s ARG 128 Cb 0.00 0.23 -0.03 0.00 -0.45 0.00 0.00 34.95 34.70 1a63 s ARG 128 CO 0.00 -0.30 -0.22 -0.80 -0.68 0.00 0.00 175.30 173.31 1a63 s ASN 129 N -3.09 3.55 0.00 0.23 -0.87 -1.26 -5.02 114.94 108.49 1a63 s ASN 129 Ca 0.29 -0.52 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1a63 s ASN 129 Cb 0.07 -0.47 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 1a63 s ASN 129 CO 0.05 0.25 0.00 2.29 -2.57 0.00 0.00 177.10 177.12