#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 6.29 0.35 7.83 2.47 -1.22 0.97 114.94 131.62 1a63 s ASN 2 Ca 0.00 -1.24 0.15 0.00 0.42 0.00 0.00 52.86 52.19 1a63 s ASN 2 Cb 0.00 -2.57 1.14 0.00 -1.45 0.00 0.00 41.25 38.38 1a63 s ASN 2 CO 0.00 -1.70 1.61 0.25 -3.72 0.00 0.00 177.10 173.54 1a63 h LEU 3 N 13.48 0.28 -1.23 3.21 5.85 -1.29 1.46 115.31 137.07 1a63 h LEU 3 Ca 0.14 0.23 0.07 0.00 0.84 0.00 0.00 57.88 59.15 1a63 h LEU 3 Cb 1.02 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 1a63 h LEU 3 CO 1.39 -0.30 0.55 0.74 -0.34 0.00 0.00 178.44 180.48 1a63 h THR 4 N 0.13 1.04 -0.11 1.05 2.02 -1.84 0.10 112.91 115.31 1a63 h THR 4 Ca 0.76 -0.32 -0.23 0.00 0.77 0.00 0.00 66.41 67.39 1a63 h THR 4 Cb 1.85 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1a63 h THR 4 CO -0.72 0.17 -0.84 -0.33 0.37 0.00 0.00 175.52 174.17 1a63 h GLU 5 N 0.93 0.73 -0.09 6.66 5.08 0.16 -0.91 114.58 127.13 1a63 h GLU 5 Ca 0.37 -0.64 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1a63 h GLU 5 Cb 0.24 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1a63 h GLU 5 CO -0.13 1.24 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.88 1a63 h LEU 6 N 0.47 -0.52 -0.88 1.33 3.38 0.17 0.98 115.31 120.25 1a63 h LEU 6 Ca -0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1a63 h LEU 6 Cb 1.47 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1a63 h LEU 6 CO 0.17 -0.22 0.49 0.50 0.09 0.00 0.00 178.44 179.46 1a63 h LYS 7 N -0.24 1.23 0.00 1.13 3.64 -1.03 -1.24 116.57 120.06 1a63 h LYS 7 Ca 0.08 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1a63 h LYS 7 Cb 0.35 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1a63 h LYS 7 CO -0.22 0.89 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.93 1a63 h ASN 8 N 1.23 0.00 -2.97 4.20 2.35 0.14 -3.41 115.58 117.12 1a63 h ASN 8 Ca 0.31 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.49 1a63 h ASN 8 Cb 0.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1a63 h ASN 8 CO -0.05 0.01 0.94 -0.89 -1.65 0.00 0.00 177.43 175.78 1a63 s THR 9 N -4.10 4.20 0.70 2.81 2.01 0.21 -5.00 115.64 116.48 1a63 s THR 9 Ca -0.04 1.42 -0.16 0.00 0.31 0.00 0.00 61.69 63.22 1a63 s THR 9 Cb 0.12 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1a63 s THR 9 CO 0.45 -0.24 1.07 -0.81 -0.69 0.00 0.00 174.62 174.40 1a63 n PRO 10 N 6.88 0.65 -0.33 4.92 -0.04 -1.26 -4.46 135.00 141.36 1a63 n PRO 10 Ca 0.14 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1a63 n PRO 10 Cb 0.45 -2.31 0.15 0.00 -0.04 0.00 0.00 33.50 31.75 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 -0.06 0.07 -0.96 0.52 3.04 -1.94 0.54 116.25 117.45 1a63 h VAL 11 Ca -0.48 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1a63 h VAL 11 Cb 1.34 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 30.63 1a63 h VAL 11 CO 0.49 0.00 0.60 0.28 -1.01 0.00 0.00 177.57 177.92 1a63 h SER 12 N 0.01 1.13 0.28 3.17 0.02 -1.97 0.08 113.55 116.26 1a63 h SER 12 Ca 0.47 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.25 1a63 h SER 12 Cb 0.76 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1a63 h SER 12 CO -0.95 0.85 -0.45 -0.33 -1.14 0.00 0.00 176.83 174.81 1a63 h GLU 13 N 1.31 0.21 -0.36 3.45 5.08 -0.32 -0.58 114.58 123.38 1a63 h GLU 13 Ca 0.35 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1a63 h GLU 13 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1a63 h GLU 13 CO -0.07 0.62 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.29 1a63 h LEU 14 N 0.18 0.79 -0.80 1.33 3.38 -0.13 -0.42 115.31 119.65 1a63 h LEU 14 Ca 0.01 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 1a63 h LEU 14 Cb 0.86 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1a63 h LEU 14 CO 0.07 1.04 0.13 0.40 0.09 0.00 0.00 178.44 180.16 1a63 h ILE 15 N 0.55 1.25 -0.50 1.22 5.03 -0.71 -0.36 117.51 124.00 1a63 h ILE 15 Ca 0.08 -0.97 -0.06 0.00 -0.12 0.00 0.00 64.86 63.79 1a63 h ILE 15 Cb 0.75 0.62 -0.02 0.00 -3.03 0.00 0.00 36.82 35.14 1a63 h ILE 15 CO 0.06 0.36 0.07 0.74 -0.68 0.00 0.00 178.15 178.70 1a63 h THR 16 N 0.97 1.23 -0.55 -0.27 2.02 -0.88 0.34 112.91 115.77 1a63 h THR 16 Ca 0.20 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 1a63 h THR 16 Cb 0.39 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1a63 h THR 16 CO 0.01 0.32 -0.02 -0.07 0.37 0.00 0.00 175.52 176.12 1a63 h LEU 17 N 0.74 0.94 -0.34 2.58 3.38 -0.32 -0.96 115.31 121.33 1a63 h LEU 17 Ca 0.16 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1a63 h LEU 17 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1a63 h LEU 17 CO 0.01 1.01 -0.13 1.23 0.09 0.00 0.00 178.44 180.65 1a63 h GLY 18 N 0.99 0.74 0.48 0.83 0.00 -0.52 -2.60 103.07 102.99 1a63 h GLY 18 Ca 0.16 -0.65 0.09 0.00 0.00 0.00 0.00 47.33 46.93 1a63 h GLY 18 CO 0.03 0.59 0.29 0.83 0.00 0.00 0.00 176.54 178.28 1a63 h GLU 19 N 0.46 0.50 -0.03 4.80 4.39 0.54 0.68 114.58 125.92 1a63 h GLU 19 Ca 0.08 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1a63 h GLU 19 Cb 0.65 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1a63 h GLU 19 CO 0.04 0.33 0.03 -0.91 -1.16 0.00 0.00 179.01 177.34 1a63 h ASN 20 N 0.51 0.00 -0.70 1.42 -0.26 -0.90 -0.37 115.58 115.30 1a63 h ASN 20 Ca 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1a63 h ASN 20 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1a63 h ASN 20 CO -0.27 0.00 0.00 0.23 -1.06 0.00 0.00 177.43 176.33 1a63 n MET 21 N -3.97 2.73 0.00 0.81 2.81 0.19 -4.94 117.12 114.75 1a63 n MET 21 Ca -0.02 -2.61 0.00 0.00 -1.81 0.00 0.00 57.70 53.26 1a63 n MET 21 Cb 0.12 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.57 3.17 3.55 3.03 0.00 0.32 -5.02 105.19 111.81 1a63 n GLY 22 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 3.27 0.44 0.99 1.02 0.14 -4.83 118.68 119.71 1a63 s LEU 23 Ca 0.00 -0.69 0.08 0.00 0.02 0.00 0.00 54.13 53.53 1a63 s LEU 23 Cb 0.00 -2.56 -0.01 0.00 0.02 0.00 0.00 46.19 43.64 1a63 s LEU 23 CO 0.00 -1.83 0.42 -1.61 0.02 0.00 0.00 176.35 173.35 1a63 s GLU 24 N 5.69 2.53 -0.56 1.70 2.02 -1.26 -1.20 118.70 127.62 1a63 s GLU 24 Ca 0.43 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.87 1a63 s GLU 24 Cb -0.06 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1a63 s GLU 24 CO 0.07 -0.27 0.00 -1.71 0.02 0.00 0.00 175.26 173.37 1a63 n ASN 25 N -1.64 -4.21 0.02 -0.19 2.85 -1.26 -4.88 115.26 105.95 1a63 n ASN 25 Ca 0.04 0.13 0.12 0.00 -0.11 0.00 0.00 54.58 54.76 1a63 n ASN 25 Cb 0.62 -2.17 0.50 0.00 1.24 0.00 0.00 39.78 39.96 1a63 n ASN 25 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1a63 n LEU 26 N -0.60 0.14 -0.36 1.20 4.32 -1.26 -3.68 117.00 116.76 1a63 n LEU 26 Ca -0.05 0.52 0.29 0.00 -0.02 0.00 0.00 56.01 56.74 1a63 n LEU 26 Cb 0.27 -0.48 0.58 0.00 -1.62 0.00 0.00 43.42 42.16 1a63 n LEU 26 CO 0.08 -0.13 1.23 0.00 -1.22 0.00 0.00 177.39 177.36 1a63 h ALA 27 N 2.76 2.47 -0.03 -1.18 0.00 -1.95 2.17 119.26 123.50 1a63 h ALA 27 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1a63 h ALA 27 Cb 0.45 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1a63 h ALA 27 CO 0.00 -0.95 0.00 2.89 0.00 0.00 0.00 179.25 181.19 1a63 n ARG 28 N -4.61 1.14 -3.95 0.00 1.85 -1.24 -4.86 116.66 104.99 1a63 n ARG 28 Ca 0.29 -0.21 -0.24 0.00 -1.00 0.00 0.00 57.85 56.69 1a63 n ARG 28 Cb 1.10 -1.34 -0.03 0.00 -1.05 0.00 0.00 32.46 31.14 1a63 n ARG 28 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1a63 s MET 29 N -1.97 3.44 0.06 2.89 -1.94 0.73 -5.09 119.30 117.42 1a63 s MET 29 Ca 0.32 -0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 53.45 1a63 s MET 29 Cb 0.15 -2.94 -0.06 0.00 2.01 0.00 0.00 34.83 33.99 1a63 s MET 29 CO 0.25 0.49 0.56 0.50 -0.01 0.00 0.00 175.02 176.81 1a63 s ARG 30 N -3.48 4.20 0.19 2.03 6.06 -1.26 -4.85 118.95 121.84 1a63 s ARG 30 Ca 0.34 0.72 0.04 0.00 -2.50 0.00 0.00 55.73 54.33 1a63 s ARG 30 Cb -0.10 -3.25 0.54 0.00 0.06 0.00 0.00 34.95 32.19 1a63 s ARG 30 CO 0.29 0.60 0.92 0.36 -2.50 0.00 0.00 175.30 174.96 1a63 n LYS 31 N 1.88 -0.04 0.16 5.12 -0.00 -1.26 -0.52 118.16 123.50 1a63 n LYS 31 Ca -0.10 0.86 -0.14 0.00 -0.00 0.00 0.00 58.31 58.92 1a63 n LYS 31 Cb 0.51 -1.40 -0.08 0.00 -0.00 0.00 0.00 35.03 34.05 1a63 n LYS 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1a63 h GLN 32 N 0.00 -0.36 -0.56 -1.58 -0.00 -1.99 -0.24 115.11 110.38 1a63 h GLN 32 Ca 0.39 0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.96 1a63 h GLN 32 Cb 0.89 0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 28.43 1a63 h GLN 32 CO -0.52 -0.13 -0.08 0.38 -0.00 0.00 0.00 178.83 178.47 1a63 h ASP 33 N -0.54 1.03 -0.81 0.06 3.04 -1.19 -1.59 116.42 116.42 1a63 h ASP 33 Ca -0.04 -0.33 -0.02 0.00 -3.24 0.00 0.00 57.03 53.40 1a63 h ASP 33 Cb 0.40 -0.28 -0.04 0.00 -1.04 0.00 0.00 39.33 38.37 1a63 h ASP 33 CO 0.06 1.12 0.42 0.40 -2.04 0.00 0.00 179.24 179.20 1a63 h ILE 34 N 0.92 1.25 -0.54 4.15 2.04 -1.11 -0.72 117.51 123.50 1a63 h ILE 34 Ca 0.15 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 1a63 h ILE 34 Cb 0.65 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1a63 h ILE 34 CO 0.04 0.29 -0.07 -0.29 0.00 0.00 0.00 178.15 178.12 1a63 h ILE 35 N 1.15 1.27 -0.60 -0.67 2.10 -0.72 -1.86 117.51 118.18 1a63 h ILE 35 Ca 0.28 -1.22 0.00 0.00 1.08 0.00 0.00 64.86 65.01 1a63 h ILE 35 Cb 0.07 0.96 -0.03 0.00 -1.09 0.00 0.00 36.82 36.73 1a63 h ILE 35 CO -0.04 0.43 0.39 -0.26 -1.08 0.00 0.00 178.15 177.59 1a63 h PHE 36 N 0.87 0.77 0.09 2.19 -1.00 -0.77 -0.17 116.94 118.93 1a63 h PHE 36 Ca 0.14 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1a63 h PHE 36 Cb 0.63 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1a63 h PHE 36 CO 0.04 0.50 -0.07 0.00 -1.61 0.00 0.00 178.31 177.17 1a63 h ALA 37 N 1.21 -0.16 -0.50 2.45 0.00 -0.90 -0.16 119.26 121.21 1a63 h ALA 37 Ca 0.22 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1a63 h ALA 37 Cb -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a63 h ALA 37 CO -0.05 -0.60 0.34 0.82 0.00 0.00 0.00 179.25 179.77 1a63 h ILE 38 N -0.17 0.85 -0.22 0.00 2.04 -0.86 0.79 117.51 119.93 1a63 h ILE 38 Ca -0.00 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1a63 h ILE 38 Cb 0.16 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1a63 h ILE 38 CO -0.01 0.04 -0.17 -0.07 0.00 0.00 0.00 178.15 177.94 1a63 h LEU 39 N 0.21 0.52 -1.11 1.44 3.38 0.40 -0.56 115.31 119.59 1a63 h LEU 39 Ca 0.23 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1a63 h LEU 39 Cb 0.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1a63 h LEU 39 CO -0.04 0.86 -0.14 0.11 0.09 0.00 0.00 178.44 179.32 1a63 h LYS 40 N 0.19 0.46 0.00 1.13 1.57 0.12 -0.04 116.57 120.00 1a63 h LYS 40 Ca 0.04 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1a63 h LYS 40 Cb 0.69 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1a63 h LYS 40 CO 0.04 0.59 -0.00 0.37 -0.57 0.00 0.00 179.45 179.89 1a63 h GLN 41 N 0.42 -0.01 -0.60 3.15 -0.00 -0.84 -2.06 115.11 115.18 1a63 h GLN 41 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.65 1a63 h GLN 41 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.96 1a63 h GLN 41 CO 0.03 0.80 0.08 1.25 0.00 0.00 0.00 178.83 181.00 1a63 h HIS 42 N -0.98 1.04 -0.81 3.99 2.76 -1.14 -2.17 115.15 117.84 1a63 h HIS 42 Ca -0.00 -0.14 -0.02 0.00 -2.20 0.00 0.00 60.37 58.02 1a63 h HIS 42 Cb 0.81 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 1a63 h HIS 42 CO 0.22 0.89 0.43 0.00 -1.30 0.00 0.00 177.93 178.17 1a63 h ALA 43 N 1.16 1.25 -0.80 5.26 0.00 -1.10 -1.21 119.26 123.82 1a63 h ALA 43 Ca 0.18 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1a63 h ALA 43 Cb 0.42 -0.32 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1a63 h ALA 43 CO 0.01 0.61 0.22 -0.22 0.00 0.00 0.00 179.25 179.87 1a63 h LYS 44 N 1.13 0.27 0.00 0.00 1.63 -0.70 2.77 116.57 121.67 1a63 h LYS 44 Ca 0.28 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1a63 h LYS 44 Cb 0.04 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1a63 h LYS 44 CO -0.04 0.18 0.00 0.43 -3.45 0.00 0.00 179.45 176.57 1a63 n SER 45 N -5.15 0.01 -1.10 4.20 7.64 -0.47 -4.85 113.62 113.91 1a63 n SER 45 Ca 0.17 0.50 -0.10 0.00 1.01 0.00 0.00 58.87 60.46 1a63 n SER 45 Cb 0.53 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.53 0.02 3.87 0.23 0.00 0.93 -5.02 105.19 104.70 1a63 n GLY 46 Ca 0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.41 3.68 0.47 1.61 1.03 -1.23 -5.02 118.70 114.83 1a63 s GLU 47 Ca 0.00 0.61 -0.22 0.00 0.03 0.00 0.00 54.97 55.39 1a63 s GLU 47 Cb 0.00 -2.21 -0.07 0.00 -0.80 0.00 0.00 34.13 31.04 1a63 s GLU 47 CO 0.00 -0.34 1.12 -0.51 -1.33 0.00 0.00 175.26 174.20 1a63 s ASP 48 N -3.78 6.21 -0.05 0.83 1.11 -1.26 -4.81 116.67 114.92 1a63 s ASP 48 Ca 0.53 2.17 -0.09 0.00 0.18 0.00 0.00 52.55 55.34 1a63 s ASP 48 Cb -0.10 -2.59 0.02 0.00 1.07 0.00 0.00 42.92 41.31 1a63 s ASP 48 CO 0.44 -0.88 0.22 0.27 1.18 0.00 0.00 175.17 176.40 1a63 s ILE 49 N -1.68 0.04 0.21 0.77 -4.36 -1.26 -4.64 121.20 110.28 1a63 s ILE 49 Ca 0.65 -0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1a63 s ILE 49 Cb -0.24 -0.42 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 1a63 s ILE 49 CO 0.29 -0.17 0.17 0.72 0.24 0.00 0.00 174.94 176.20 1a63 s PHE 50 N -0.62 1.09 0.30 1.37 -0.71 0.27 -3.15 117.98 116.53 1a63 s PHE 50 Ca -0.07 -1.32 0.09 0.00 -1.04 0.00 0.00 56.93 54.60 1a63 s PHE 50 Cb -0.04 -0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 41.24 1a63 s PHE 50 CO 0.01 -0.69 0.00 0.20 -1.34 0.00 0.00 175.22 173.41 1a63 s GLY 51 N -3.15 1.86 -0.08 1.99 0.00 -0.21 -0.72 107.32 107.00 1a63 s GLY 51 Ca 0.37 -1.80 -0.32 0.00 0.00 0.00 0.00 44.72 42.97 1a63 s GLY 51 CO 0.12 -1.81 1.13 0.51 0.00 0.00 0.00 173.10 173.06 1a63 s ASP 52 N -3.70 -0.17 0.00 1.64 -4.77 -1.26 -1.57 116.67 106.84 1a63 s ASP 52 Ca 0.33 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 1a63 s ASP 52 Cb -0.04 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 42.02 1a63 s ASP 52 CO 0.20 -0.39 0.00 0.61 0.70 0.00 0.00 175.17 176.29 1a63 n GLY 53 N -0.24 0.50 2.93 2.12 0.00 -0.32 -4.21 105.19 105.96 1a63 n GLY 53 Ca -0.04 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.68 1.22 1.02 1.61 1.01 -0.10 -1.14 120.40 122.33 1a63 s VAL 54 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1a63 s VAL 54 Cb 0.00 -1.28 0.20 0.00 0.00 0.00 0.00 36.38 35.31 1a63 s VAL 54 CO 0.00 0.28 1.08 -0.76 0.00 0.00 0.00 175.10 175.70 1a63 s LEU 55 N 1.61 1.81 -0.05 3.92 1.43 -0.00 -3.51 118.68 123.88 1a63 s LEU 55 Ca 0.03 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.81 1a63 s LEU 55 Cb -0.14 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.23 1a63 s LEU 55 CO -0.08 -3.46 0.10 -1.83 0.23 0.00 0.00 176.35 171.31 1a63 s GLU 56 N -4.65 -0.02 0.64 1.70 -1.05 0.59 0.63 118.70 116.54 1a63 s GLU 56 Ca 0.67 0.40 -0.09 0.00 -0.15 0.00 0.00 54.97 55.80 1a63 s GLU 56 Cb -0.22 -0.35 0.01 0.00 -0.44 0.00 0.00 34.13 33.13 1a63 s GLU 56 CO 0.60 -0.27 1.00 0.42 0.95 0.00 0.00 175.26 177.96 1a63 s ILE 57 N 1.89 3.66 -0.03 1.83 -1.09 -1.26 -1.07 121.20 125.13 1a63 s ILE 57 Ca 0.00 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 1a63 s ILE 57 Cb -0.12 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1a63 s ILE 57 CO -0.04 -0.58 -0.11 -0.76 -1.23 0.00 0.00 174.94 172.22 1a63 s LEU 58 N -5.17 1.85 0.42 2.97 1.02 0.64 -4.86 118.68 115.56 1a63 s LEU 58 Ca 0.56 -0.22 0.29 0.00 0.02 0.00 0.00 54.13 54.78 1a63 s LEU 58 Cb -0.11 -0.63 1.44 0.00 0.02 0.00 0.00 46.19 46.91 1a63 s LEU 58 CO 0.49 0.09 1.54 1.67 0.02 0.00 0.00 176.35 180.16 1a63 n GLN 59 N 3.18 -0.04 0.00 1.70 7.27 -1.26 0.16 117.38 128.39 1a63 n GLN 59 Ca -0.17 1.27 0.01 0.00 0.07 0.00 0.00 57.00 58.17 1a63 n GLN 59 Cb 0.54 -2.44 0.06 0.00 2.41 0.00 0.00 30.24 30.81 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 -4.81 0.00 0.00 1.69 8.00 -1.26 -4.80 116.55 115.36 1a63 n ASP 60 Ca 0.39 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1a63 n ASP 60 Cb 1.48 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 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 -1.13 0.79 2.51 0.44 0.00 0.43 -5.06 105.19 103.17 1a63 n GLY 61 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.30 0.21 -3.89 1.61 -1.74 -1.24 -4.15 117.46 105.96 1a63 n PHE 62 Ca 0.00 -1.92 -0.08 0.00 -0.56 0.00 0.00 57.45 54.88 1a63 n PHE 62 Cb 0.00 -0.04 -0.02 0.00 1.52 0.00 0.00 39.48 40.95 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 -2.88 0.25 0.09 4.97 0.00 0.03 -0.26 107.32 109.52 1a63 s GLY 63 Ca 0.13 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.30 1a63 s GLY 63 CO 0.09 -0.31 -0.14 -1.36 0.00 0.00 0.00 173.10 171.38 1a63 s PHE 64 N -3.48 1.28 0.43 1.90 0.08 -0.24 0.12 117.98 118.08 1a63 s PHE 64 Ca 0.16 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.75 1a63 s PHE 64 Cb -0.04 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 1a63 s PHE 64 CO 0.09 0.09 0.60 -1.17 -0.10 0.00 0.00 175.22 174.73 1a63 s LEU 65 N -2.04 3.66 0.00 -0.37 0.20 -0.33 -0.30 118.68 119.50 1a63 s LEU 65 Ca 0.02 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.64 1a63 s LEU 65 Cb -0.08 -2.78 0.00 0.00 -0.43 0.00 0.00 46.19 42.91 1a63 s LEU 65 CO 0.02 -0.75 0.00 -1.14 -0.29 0.00 0.00 176.35 174.19 1a63 n ARG 66 N -1.92 -1.93 0.00 1.98 0.63 -1.23 -1.85 116.66 112.34 1a63 n ARG 66 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 1a63 n ARG 66 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1a63 n ARG 66 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1a63 n SER 67 N 0.44 0.00 0.00 6.15 7.64 -1.26 -0.92 113.62 125.66 1a63 n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 1.12 -1.22 -0.43 0.00 -1.26 -4.04 120.51 111.68 1a63 n ALA 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a63 n ALA 68 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.28 7.50 0.00 0.00 8.00 -1.26 -4.18 116.55 126.34 1a63 n ASP 69 Ca 0.00 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.96 1a63 n ASP 69 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 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 3.98 0.35 0.00 -2.24 3.41 -1.26 -4.95 113.62 112.91 1a63 n SER 70 Ca 0.69 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1a63 n SER 70 Cb 0.23 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.35 0.00 0.00 4.04 7.64 -1.26 -5.00 113.62 118.69 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 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.96 1.43 4.01 -1.26 -4.92 117.16 114.46 1a63 n TYR 72 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1a63 n TYR 72 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 1a63 n TYR 72 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1a63 n LEU 73 N 0.00 0.00 0.00 7.72 4.32 -1.26 -5.09 117.00 122.69 1a63 n LEU 73 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 1a63 n LEU 73 Cb 0.00 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1a63 n LEU 73 CO 0.00 -0.76 0.00 0.00 -1.22 0.00 0.00 177.39 175.41 1a63 n ALA 74 N -3.12 0.00 -3.62 -1.18 0.00 -1.26 -5.07 120.51 106.25 1a63 n ALA 74 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1a63 n ALA 74 Cb 0.23 0.00 -0.03 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 -0.68 -0.15 0.23 0.00 0.00 -1.26 -5.02 107.32 100.44 1a63 s GLY 75 Ca 0.00 2.09 -0.05 0.00 0.00 0.00 0.00 44.72 46.76 1a63 s GLY 75 CO 0.00 0.76 1.73 -0.56 0.00 0.00 0.00 173.10 175.03 1a63 h PRO 76 N 2.04 0.93 -0.60 2.90 0.13 -2.03 -2.94 132.00 132.43 1a63 h PRO 76 Ca -0.07 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1a63 h PRO 76 Cb 1.16 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a63 h PRO 76 CO 0.22 0.89 0.00 -0.25 -0.23 0.00 0.00 178.00 178.63 1a63 n ASP 77 N -4.21 2.05 -3.64 1.44 8.00 -1.26 -4.89 116.55 114.03 1a63 n ASP 77 Ca 0.03 -2.18 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1a63 n ASP 77 Cb 0.30 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.21 0.00 -4.42 -2.24 9.92 -1.11 -5.00 116.55 113.90 1a63 n ASP 78 Ca 0.09 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.01 1a63 n ASP 78 Cb 0.41 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.76 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 3.46 0.43 0.53 -1.09 -0.77 -4.71 121.20 119.04 1a63 s ILE 79 Ca 0.00 -0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 57.68 1a63 s ILE 79 Cb 0.00 -2.50 -0.09 0.00 -1.58 0.00 0.00 42.46 38.30 1a63 s ILE 79 CO 0.00 0.50 1.05 -0.47 -1.23 0.00 0.00 174.94 174.79 1a63 s TYR 80 N 0.45 3.17 -0.18 3.97 6.14 -0.14 -1.19 117.35 129.57 1a63 s TYR 80 Ca -0.07 1.62 -0.04 0.00 0.64 0.00 0.00 57.07 59.22 1a63 s TYR 80 Cb -0.15 -3.12 0.07 0.00 0.42 0.00 0.00 41.96 39.18 1a63 s TYR 80 CO 0.04 -0.73 0.15 0.08 0.64 0.00 0.00 175.55 175.73 1a63 s VAL 81 N -1.75 -0.21 0.79 3.14 1.01 0.12 -1.02 120.40 122.49 1a63 s VAL 81 Ca 0.61 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 1a63 s VAL 81 Cb -0.21 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.65 1a63 s VAL 81 CO 0.26 -0.21 1.09 -0.44 0.00 0.00 0.00 175.10 175.80 1a63 s SER 82 N 2.24 4.50 0.02 3.32 0.01 -1.26 -0.79 113.70 121.74 1a63 s SER 82 Ca 0.04 1.38 -0.26 0.00 1.31 0.00 0.00 55.95 58.43 1a63 s SER 82 Cb -0.16 -2.13 -0.17 0.00 0.21 0.00 0.00 66.02 63.78 1a63 s SER 82 CO -0.10 -1.97 1.34 1.55 0.41 0.00 0.00 173.24 174.47 1a63 h PRO 83 N -1.09 -0.42 -1.03 12.44 0.13 -1.94 -1.28 132.00 138.82 1a63 h PRO 83 Ca -0.47 0.03 0.30 0.00 -0.87 0.00 0.00 66.00 64.99 1a63 h PRO 83 Cb 1.26 0.09 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 1a63 h PRO 83 CO 0.58 -0.13 0.61 0.66 -0.23 0.00 0.00 178.00 179.49 1a63 h SER 84 N -0.70 0.55 0.76 1.44 4.64 -1.94 1.32 113.55 119.63 1a63 h SER 84 Ca -0.04 0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1a63 h SER 84 Cb 0.48 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1a63 h SER 84 CO 0.07 -0.03 -0.37 1.56 -0.87 0.00 0.00 176.83 177.19 1a63 h GLN 85 N 0.41 -0.99 0.12 4.77 1.08 -1.81 1.36 115.11 120.05 1a63 h GLN 85 Ca 0.69 0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.98 1a63 h GLN 85 Cb 1.56 0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 29.19 1a63 h GLN 85 CO -0.51 -0.64 -0.24 0.82 -0.95 0.00 0.00 178.83 177.31 1a63 h ILE 86 N -1.19 0.47 -0.72 2.54 2.04 0.41 -2.03 117.51 119.04 1a63 h ILE 86 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1a63 h ILE 86 Cb 0.80 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1a63 h ILE 86 CO 0.17 0.00 0.41 0.03 0.00 0.00 0.00 178.15 178.77 1a63 h ARG 87 N -0.44 0.73 -0.68 2.37 3.08 0.16 0.11 114.38 119.71 1a63 h ARG 87 Ca 0.03 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1a63 h ARG 87 Cb 0.46 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1a63 h ARG 87 CO -0.13 0.49 0.45 0.00 -1.07 0.00 0.00 179.97 179.70 1a63 h ARG 88 N 0.76 0.86 -0.37 0.04 2.47 0.25 -2.77 114.38 115.62 1a63 h ARG 88 Ca 0.32 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1a63 h ARG 88 Cb 0.20 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1a63 h ARG 88 CO -0.19 0.57 0.00 1.19 0.56 0.00 0.00 179.97 182.11 1a63 n PHE 89 N -4.44 0.62 -3.38 3.04 3.72 -0.82 -4.98 117.46 111.21 1a63 n PHE 89 Ca 0.08 -0.57 -0.17 0.00 -0.05 0.00 0.00 57.45 56.74 1a63 n PHE 89 Cb 0.07 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.43 -3.81 -3.93 4.37 2.85 0.28 -4.89 115.26 110.55 1a63 n ASN 90 Ca 0.15 -0.67 -0.19 0.00 -0.11 0.00 0.00 54.58 53.75 1a63 n ASN 90 Cb 0.54 -5.09 0.11 0.00 1.24 0.00 0.00 39.78 36.57 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 -3.79 0.00 -3.59 1.20 4.32 -0.58 -5.03 117.00 109.52 1a63 n LEU 91 Ca -0.20 -1.58 -0.11 0.00 -0.02 0.00 0.00 56.01 54.10 1a63 n LEU 91 Cb 0.65 -0.57 -0.03 0.00 -1.62 0.00 0.00 43.42 41.84 1a63 n LEU 91 CO 0.61 -0.96 0.29 -0.13 -1.22 0.00 0.00 177.39 175.98 1a63 s ARG 92 N -4.70 1.26 0.73 3.23 3.00 -1.26 -4.90 118.95 116.31 1a63 s ARG 92 Ca 0.54 -0.67 -0.14 0.00 0.00 0.00 0.00 55.73 55.46 1a63 s ARG 92 Cb -0.03 0.53 0.04 0.00 0.00 0.00 0.00 34.95 35.50 1a63 s ARG 92 CO 0.36 -0.53 1.17 -0.08 0.00 0.00 0.00 175.30 176.22 1a63 s THR 93 N -3.81 2.57 0.00 0.02 -1.32 -1.26 -1.57 115.64 110.26 1a63 s THR 93 Ca 0.04 0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1a63 s THR 93 Cb -0.00 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1a63 s THR 93 CO -0.09 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1a63 n GLY 94 N 0.07 2.12 3.77 6.08 0.00 0.20 -4.92 105.19 112.52 1a63 n GLY 94 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1a63 n GLY 94 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a63 s ASP 95 N -3.45 5.82 -0.25 1.61 1.47 -0.61 -4.66 116.67 116.60 1a63 s ASP 95 Ca 0.00 2.22 -0.16 0.00 1.18 0.00 0.00 52.55 55.79 1a63 s ASP 95 Cb 0.00 -2.59 -0.04 0.00 -0.34 0.00 0.00 42.92 39.96 1a63 s ASP 95 CO 0.00 -1.15 0.40 -0.89 0.68 0.00 0.00 175.17 174.21 1a63 s THR 96 N -1.70 5.17 0.21 2.11 2.01 -1.26 -0.82 115.64 121.35 1a63 s THR 96 Ca 0.70 0.65 -0.09 0.00 0.31 0.00 0.00 61.69 63.26 1a63 s THR 96 Cb -0.25 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1a63 s THR 96 CO 0.29 0.17 0.35 -0.63 -0.69 0.00 0.00 174.62 174.11 1a63 s ILE 97 N 1.91 0.02 -0.12 1.82 1.01 -0.29 -0.53 121.20 125.02 1a63 s ILE 97 Ca 0.17 -1.53 -0.10 0.00 0.00 0.00 0.00 60.65 59.19 1a63 s ILE 97 Cb -0.15 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1a63 s ILE 97 CO 0.09 -0.08 0.31 -0.94 0.00 0.00 0.00 174.94 174.33 1a63 s SER 98 N -3.04 -0.33 0.34 3.58 1.04 -0.90 -1.18 113.70 113.21 1a63 s SER 98 Ca 0.25 0.63 -0.18 0.00 0.48 0.00 0.00 55.95 57.13 1a63 s SER 98 Cb 0.02 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.81 1a63 s SER 98 CO 0.07 -0.12 0.82 -0.83 0.98 0.00 0.00 173.24 174.17 1a63 s GLY 99 N 0.41 0.26 0.42 7.32 0.00 -0.61 -0.52 107.32 114.60 1a63 s GLY 99 Ca -0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 44.72 44.02 1a63 s GLY 99 CO -0.02 0.13 0.74 -1.59 0.00 0.00 0.00 173.10 172.36 1a63 s LYS 100 N -2.51 3.65 0.19 2.90 -2.85 -0.07 -1.05 119.74 120.00 1a63 s LYS 100 Ca 0.16 0.27 0.10 0.00 -1.00 0.00 0.00 55.97 55.49 1a63 s LYS 100 Cb -0.05 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.25 1a63 s LYS 100 CO 0.10 -0.06 -0.20 0.96 0.10 0.00 0.00 175.35 176.25 1a63 s ILE 101 N -2.48 2.02 0.27 3.79 -4.36 -1.19 -0.55 121.20 118.71 1a63 s ILE 101 Ca 0.48 -2.01 -0.18 0.00 -0.26 0.00 0.00 60.65 58.68 1a63 s ILE 101 Cb -0.10 -1.97 0.01 0.00 1.25 0.00 0.00 42.46 41.64 1a63 s ILE 101 CO 0.37 -0.28 0.65 -0.60 0.24 0.00 0.00 174.94 175.31 1a63 s ARG 102 N -2.88 1.72 0.02 0.37 3.52 -0.34 -4.80 118.95 116.56 1a63 s ARG 102 Ca 0.19 -1.08 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 1a63 s ARG 102 Cb -0.06 0.57 -0.06 0.00 -1.56 0.00 0.00 34.95 33.84 1a63 s ARG 102 CO 0.08 -0.77 0.43 -1.25 -0.81 0.00 0.00 175.30 172.99 1a63 s PRO 103 N -3.93 3.95 0.00 5.12 0.04 -1.26 -1.16 135.00 137.76 1a63 s PRO 103 Ca 0.15 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1a63 s PRO 103 Cb -0.04 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1a63 s PRO 103 CO 0.08 0.67 0.00 -0.35 0.04 0.00 0.00 177.00 177.44 1a63 n PRO 104 N 1.74 0.00 -0.03 0.56 -0.04 -1.26 -5.00 135.00 130.97 1a63 n PRO 104 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1a63 n PRO 104 Cb 0.52 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1a63 n PRO 104 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1a63 n LYS 105 N -0.02 0.62 0.27 0.54 4.81 -1.26 -4.98 118.16 118.14 1a63 n LYS 105 Ca 0.00 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.62 1a63 n LYS 105 Cb 0.00 0.00 0.93 0.00 0.02 0.00 0.00 35.03 35.98 1a63 n LYS 105 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1a63 h GLU 106 N 0.00 0.00 -1.89 1.64 4.39 -2.05 -1.48 114.58 115.19 1a63 h GLU 106 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1a63 h GLU 106 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 1a63 h GLU 106 CO 0.00 0.00 0.06 0.41 -1.16 0.00 0.00 179.01 178.32 1a63 n GLY 107 N -1.27 3.39 0.00 -3.84 0.00 -1.26 -4.57 105.19 97.64 1a63 n GLY 107 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1a63 n GLY 107 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a63 n GLU 108 N 1.39 0.00 0.00 1.61 4.07 -0.56 -4.82 120.64 122.33 1a63 n GLU 108 Ca 0.29 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1a63 n GLU 108 Cb 0.65 -0.31 0.00 0.00 -0.06 0.00 0.00 31.44 31.72 1a63 n GLU 108 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1a63 n ARG 109 N -0.67 0.00 -4.13 5.31 0.00 -1.26 -4.75 116.66 111.15 1a63 n ARG 109 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1a63 n ARG 109 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1a63 n ARG 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1a63 s TYR 110 N 0.00 3.06 0.78 -0.14 2.02 -1.26 -5.10 117.35 116.71 1a63 s TYR 110 Ca 0.00 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 1a63 s TYR 110 Cb 0.00 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 40.04 1a63 s TYR 110 CO 0.00 0.49 1.10 -0.06 -1.57 0.00 0.00 175.55 175.51 1a63 s PHE 111 N -1.30 2.44 0.02 2.71 0.40 -1.26 -4.80 117.98 116.19 1a63 s PHE 111 Ca 0.26 1.59 0.07 0.00 -0.60 0.00 0.00 56.93 58.25 1a63 s PHE 111 Cb -0.12 -3.11 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 1a63 s PHE 111 CO 0.18 -1.94 -0.21 0.00 0.70 0.00 0.00 175.22 173.95 1a63 s ALA 112 N -2.80 1.77 0.50 5.36 0.00 -0.31 -0.96 121.76 125.31 1a63 s ALA 112 Ca 0.63 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 1a63 s ALA 112 Cb -0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 1a63 s ALA 112 CO 0.55 0.41 0.79 -0.11 0.00 0.00 0.00 175.76 177.40 1a63 n LEU 113 N 2.14 1.92 0.08 0.00 -0.00 -0.19 -1.20 117.00 119.75 1a63 n LEU 113 Ca -0.16 0.88 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1a63 n LEU 113 Cb 0.53 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 1a63 n LEU 113 CO 0.23 -2.22 -0.05 -0.11 -0.00 0.00 0.00 177.39 175.24 1a63 n LEU 114 N 0.35 0.48 -4.29 -1.96 7.94 0.29 -4.57 117.00 115.24 1a63 n LEU 114 Ca 0.11 0.24 -0.30 0.00 -1.11 0.00 0.00 56.01 54.95 1a63 n LEU 114 Cb 0.43 -0.02 -0.16 0.00 0.53 0.00 0.00 43.42 44.21 1a63 n LEU 114 CO 0.53 -0.68 -0.56 -0.75 -1.11 0.00 0.00 177.39 174.82 1a63 s LYS 115 N -2.00 2.03 -0.07 1.96 2.20 -1.01 -4.93 119.74 117.92 1a63 s LYS 115 Ca 0.00 -0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 54.54 1a63 s LYS 115 Cb 0.00 -1.96 -0.05 0.00 -1.51 0.00 0.00 37.83 34.31 1a63 s LYS 115 CO 0.00 0.54 0.44 0.08 -0.36 0.00 0.00 175.35 176.05 1a63 s VAL 116 N -0.59 5.11 -0.17 4.02 1.01 -1.26 -0.89 120.40 127.63 1a63 s VAL 116 Ca 0.10 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 1a63 s VAL 116 Cb -0.10 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 1a63 s VAL 116 CO -0.01 0.44 -0.16 0.59 0.00 0.00 0.00 175.10 175.95 1a63 n ASN 117 N 2.89 2.37 -3.96 3.32 3.02 0.33 -4.95 115.26 118.27 1a63 n ASN 117 Ca -0.10 -0.02 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 1a63 n ASN 117 Cb 0.52 -0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 39.28 1a63 n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a63 s GLU 118 N -2.32 0.73 -0.24 3.52 2.02 -0.78 -4.97 118.70 116.66 1a63 s GLU 118 Ca -0.22 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.46 1a63 s GLU 118 Cb 0.07 0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.64 1a63 s GLU 118 CO 0.36 -0.19 0.65 0.08 0.02 0.00 0.00 175.26 176.18 1a63 s VAL 119 N -3.85 0.00 -1.72 2.63 1.01 -1.25 -2.12 120.40 115.10 1a63 s VAL 119 Ca 0.06 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1a63 s VAL 119 Cb 0.06 -0.91 0.16 0.00 0.00 0.00 0.00 36.38 35.69 1a63 s VAL 119 CO -0.10 -0.00 0.79 0.59 0.00 0.00 0.00 175.10 176.38 1a63 n ASN 120 N 2.65 -3.32 -3.02 3.32 5.03 0.32 -0.52 115.26 119.71 1a63 n ASN 120 Ca -0.14 -1.02 -0.14 0.00 0.87 0.00 0.00 54.58 54.15 1a63 n ASN 120 Cb 0.56 -2.72 -0.03 0.00 -1.02 0.00 0.00 39.78 36.57 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 -4.37 -1.55 -3.93 3.10 7.35 -1.26 -4.80 117.46 112.00 1a63 n PHE 121 Ca 0.08 0.22 -0.10 0.00 -0.76 0.00 0.00 57.45 56.90 1a63 n PHE 121 Cb 0.49 -1.19 -0.02 0.00 0.35 0.00 0.00 39.48 39.11 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 -2.26 0.20 0.87 -2.13 1.01 0.32 -5.15 116.67 109.54 1a63 s ASP 122 Ca 0.27 -1.12 -0.12 0.00 0.71 0.00 0.00 52.55 52.29 1a63 s ASP 122 Cb -0.16 0.73 0.10 0.00 1.01 0.00 0.00 42.92 44.60 1a63 s ASP 122 CO 0.34 -1.42 1.05 0.29 0.21 0.00 0.00 175.17 175.63 1a63 n LYS 123 N -0.50 -0.16 -0.59 8.23 4.76 -1.26 -3.84 118.16 124.80 1a63 n LYS 123 Ca -0.04 0.02 -0.07 0.00 -2.87 0.00 0.00 58.31 55.36 1a63 n LYS 123 Cb 0.61 -2.31 -0.09 0.00 -1.84 0.00 0.00 35.03 31.39 1a63 n LYS 123 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1a63 n PRO 124 N -3.40 1.18 0.00 1.97 -0.04 -1.26 -4.64 135.00 128.81 1a63 n PRO 124 Ca 0.12 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1a63 n PRO 124 Cb 0.51 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 2.54 0.00 0.00 0.54 2.13 -1.26 -5.02 120.64 119.57 1a63 n GLU 125 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1a63 n GLU 125 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 1a63 n GLU 125 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1a63 n ASN 126 N 0.00 0.00 -1.55 4.31 3.02 -1.26 -4.89 115.26 114.88 1a63 n ASN 126 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1a63 n ASN 126 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1a63 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a63 n ALA 127 N 8.99 -0.66 -3.00 5.41 0.00 -1.26 -5.19 120.51 124.79 1a63 n ALA 127 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1a63 n ALA 127 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1a63 n ALA 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a63 n ARG 128 N -0.18 0.00 -4.21 0.00 1.74 -1.26 -5.17 116.66 107.58 1a63 n ARG 128 Ca -0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 1a63 n ARG 128 Cb 0.13 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.50 1a63 n ARG 128 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a63 s ASN 129 N -0.88 4.38 0.00 0.55 2.47 -1.26 -5.33 114.94 114.87 1a63 s ASN 129 Ca 0.00 -0.98 0.00 0.00 0.42 0.00 0.00 52.86 52.30 1a63 s ASN 129 Cb 0.00 -0.56 0.00 0.00 -1.45 0.00 0.00 41.25 39.24 1a63 s ASN 129 CO 0.00 -0.37 0.00 0.29 -3.72 0.00 0.00 177.10 173.30