#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 6.88 0.23 3.17 2.47 -1.25 0.22 114.94 126.66 1a63 s ASN 2 Ca 0.00 1.19 -0.07 0.00 0.42 0.00 0.00 52.86 54.40 1a63 s ASN 2 Cb 0.00 -2.54 0.39 0.00 -1.45 0.00 0.00 41.25 37.65 1a63 s ASN 2 CO 0.00 -0.90 1.68 -0.07 -3.72 0.00 0.00 177.10 174.09 1a63 h LEU 3 N 10.20 -0.06 -1.51 3.21 -0.00 -1.38 0.53 115.31 126.30 1a63 h LEU 3 Ca -0.22 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 57.89 1a63 h LEU 3 Cb 1.07 0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.90 1a63 h LEU 3 CO 1.02 -0.05 0.45 0.74 -0.00 0.00 0.00 178.44 180.60 1a63 h THR 4 N 0.23 0.92 -0.24 0.22 2.02 -1.91 0.73 112.91 114.88 1a63 h THR 4 Ca 0.38 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1a63 h THR 4 Cb 0.62 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1a63 h THR 4 CO -0.50 0.10 -0.04 1.05 0.37 0.00 0.00 175.52 176.51 1a63 h GLU 5 N 0.55 0.45 -0.24 6.66 4.11 -0.40 -0.33 114.58 125.39 1a63 h GLU 5 Ca 0.31 -0.16 0.06 0.00 0.07 0.00 0.00 59.36 59.64 1a63 h GLU 5 Cb 0.49 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1a63 h GLU 5 CO -0.10 0.66 -0.15 -0.07 0.07 0.00 0.00 179.01 179.43 1a63 h LEU 6 N 0.21 -0.48 -1.64 3.06 3.38 0.64 0.12 115.31 120.60 1a63 h LEU 6 Ca 0.06 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1a63 h LEU 6 Cb 0.48 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1a63 h LEU 6 CO 0.02 -0.18 0.32 0.11 0.09 0.00 0.00 178.44 178.79 1a63 h LYS 7 N -0.13 0.44 0.00 1.13 1.79 -0.85 0.92 116.57 119.86 1a63 h LYS 7 Ca 0.13 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1a63 h LYS 7 Cb 0.33 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1a63 h LYS 7 CO -0.32 0.29 0.00 -0.91 -1.08 0.00 0.00 179.45 177.43 1a63 h ASN 8 N 0.45 0.00 -3.45 0.86 2.35 0.10 -3.40 115.58 112.50 1a63 h ASN 8 Ca 0.20 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.35 1a63 h ASN 8 Cb 0.23 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.49 1a63 h ASN 8 CO -0.05 0.00 0.15 -0.89 -1.65 0.00 0.00 177.43 174.99 1a63 s THR 9 N -3.71 5.00 0.67 2.81 2.01 0.31 -5.04 115.64 117.69 1a63 s THR 9 Ca -0.02 1.15 -0.17 0.00 0.31 0.00 0.00 61.69 62.96 1a63 s THR 9 Cb 0.09 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 1a63 s THR 9 CO 0.29 0.06 1.12 -0.81 -0.69 0.00 0.00 174.62 174.59 1a63 n PRO 10 N 5.46 0.81 -0.32 4.92 -0.04 -1.26 -4.48 135.00 140.08 1a63 n PRO 10 Ca -0.01 0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1a63 n PRO 10 Cb 0.49 -2.35 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 0.18 0.09 -0.83 0.52 3.04 -1.95 0.43 116.25 117.74 1a63 h VAL 11 Ca -0.49 -0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.24 1a63 h VAL 11 Cb 1.34 0.08 -0.05 0.00 -2.01 0.00 0.00 31.29 30.65 1a63 h VAL 11 CO 0.50 0.00 0.53 -1.28 -1.01 0.00 0.00 177.57 176.31 1a63 h SER 12 N 0.01 0.86 0.40 3.17 0.87 -1.97 0.43 113.55 117.32 1a63 h SER 12 Ca 0.46 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.93 1a63 h SER 12 Cb 0.77 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1a63 h SER 12 CO -0.92 0.58 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.20 1a63 h GLU 13 N 1.01 0.05 -0.40 2.24 3.07 -0.54 -0.69 114.58 119.32 1a63 h GLU 13 Ca 0.34 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1a63 h GLU 13 Cb 0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1a63 h GLU 13 CO -0.13 0.48 -0.24 -0.07 -1.40 0.00 0.00 179.01 177.65 1a63 h LEU 14 N 0.04 0.90 -0.57 1.33 3.38 0.40 -0.30 115.31 120.50 1a63 h LEU 14 Ca 0.00 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1a63 h LEU 14 Cb 0.80 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1a63 h LEU 14 CO 0.06 1.13 -0.05 0.40 0.09 0.00 0.00 178.44 180.07 1a63 h ILE 15 N 0.68 1.27 -0.41 1.22 5.03 -0.54 -0.61 117.51 124.15 1a63 h ILE 15 Ca 0.08 -1.20 -0.06 0.00 -0.12 0.00 0.00 64.86 63.57 1a63 h ILE 15 Cb 0.81 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 35.48 1a63 h ILE 15 CO 0.07 0.43 0.02 0.74 -0.68 0.00 0.00 178.15 178.73 1a63 h THR 16 N 0.92 1.21 -0.43 -0.27 2.02 -0.97 0.13 112.91 115.53 1a63 h THR 16 Ca 0.15 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 1a63 h THR 16 Cb 0.61 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1a63 h THR 16 CO 0.04 0.30 0.08 0.25 0.37 0.00 0.00 175.52 176.56 1a63 h LEU 17 N 0.61 0.67 -0.58 2.58 5.85 -0.56 -0.86 115.31 123.01 1a63 h LEU 17 Ca 0.13 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1a63 h LEU 17 Cb 0.36 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1a63 h LEU 17 CO 0.01 0.75 0.31 1.23 -0.34 0.00 0.00 178.44 180.40 1a63 h GLY 18 N 0.56 0.87 0.38 3.75 0.00 -0.62 -1.45 103.07 106.56 1a63 h GLY 18 Ca 0.13 -0.40 0.11 0.00 0.00 0.00 0.00 47.33 47.17 1a63 h GLY 18 CO 0.01 0.38 0.32 0.83 0.00 0.00 0.00 176.54 178.08 1a63 h GLU 19 N 0.79 0.52 -0.03 4.80 4.39 0.20 0.76 114.58 126.01 1a63 h GLU 19 Ca 0.20 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1a63 h GLU 19 Cb 0.05 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1a63 h GLU 19 CO -0.03 0.34 0.03 -0.91 -1.16 0.00 0.00 179.01 177.28 1a63 h ASN 20 N 0.54 0.00 -0.65 1.42 4.21 -0.12 0.40 115.58 121.38 1a63 h ASN 20 Ca 0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.87 1a63 h ASN 20 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1a63 h ASN 20 CO -0.31 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.06 1a63 n MET 21 N -4.08 2.52 0.00 0.81 2.81 0.23 -4.92 117.12 114.48 1a63 n MET 21 Ca -0.02 -2.37 0.00 0.00 -1.81 0.00 0.00 57.70 53.50 1a63 n MET 21 Cb 0.12 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.55 2.88 3.56 3.03 0.00 0.13 -5.01 105.19 111.32 1a63 n GLY 22 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 3.33 0.43 0.99 1.02 0.73 -4.85 118.68 120.33 1a63 s LEU 23 Ca 0.00 -0.92 0.08 0.00 0.02 0.00 0.00 54.13 53.30 1a63 s LEU 23 Cb 0.00 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.64 1a63 s LEU 23 CO 0.00 -1.71 0.48 -1.61 0.02 0.00 0.00 176.35 173.53 1a63 s GLU 24 N 5.43 2.64 -0.88 1.70 2.02 -1.26 -1.44 118.70 126.92 1a63 s GLU 24 Ca 0.42 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.98 1a63 s GLU 24 Cb -0.04 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1a63 s GLU 24 CO 0.03 -0.27 0.00 -1.71 0.02 0.00 0.00 175.26 173.33 1a63 n ASN 25 N -1.71 -4.26 0.00 -0.19 2.85 -1.26 -4.89 115.26 105.80 1a63 n ASN 25 Ca 0.06 0.20 0.12 0.00 -0.11 0.00 0.00 54.58 54.85 1a63 n ASN 25 Cb 0.61 -2.49 0.55 0.00 1.24 0.00 0.00 39.78 39.68 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 -0.94 0.00 -0.37 1.20 4.32 -1.26 -3.63 117.00 116.32 1a63 n LEU 26 Ca -0.08 0.43 0.33 0.00 -0.02 0.00 0.00 56.01 56.67 1a63 n LEU 26 Cb 0.32 -0.43 0.67 0.00 -1.62 0.00 0.00 43.42 42.35 1a63 n LEU 26 CO 0.13 -0.08 1.30 0.00 -1.22 0.00 0.00 177.39 177.51 1a63 h ALA 27 N 2.93 2.87 -0.00 -1.18 0.00 -1.95 2.46 119.26 124.39 1a63 h ALA 27 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a63 h ALA 27 Cb 0.36 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a63 h ALA 27 CO 0.00 -1.29 0.00 2.89 0.00 0.00 0.00 179.25 180.85 1a63 n ARG 28 N -4.36 1.07 -3.94 0.00 1.85 -1.24 -4.84 116.66 105.20 1a63 n ARG 28 Ca 0.29 -0.10 -0.31 0.00 -1.00 0.00 0.00 57.85 56.73 1a63 n ARG 28 Cb 1.23 -1.46 -0.05 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 -2.00 3.36 0.12 2.89 -1.94 0.83 -5.10 119.30 117.46 1a63 s MET 29 Ca 0.43 -0.45 -0.18 0.00 -1.71 0.00 0.00 55.69 53.79 1a63 s MET 29 Cb 0.20 -3.01 -0.07 0.00 2.01 0.00 0.00 34.83 33.96 1a63 s MET 29 CO 0.34 0.62 0.58 1.03 -0.01 0.00 0.00 175.02 177.58 1a63 s ARG 30 N -2.36 4.14 0.38 2.03 0.52 -1.26 -4.83 118.95 117.57 1a63 s ARG 30 Ca 0.32 0.68 0.30 0.00 -0.52 0.00 0.00 55.73 56.51 1a63 s ARG 30 Cb -0.13 -3.10 1.25 0.00 0.52 0.00 0.00 34.95 33.49 1a63 s ARG 30 CO 0.25 0.56 1.25 0.36 0.02 0.00 0.00 175.30 177.74 1a63 n LYS 31 N 1.30 -0.02 0.42 3.54 2.85 -1.26 -0.62 118.16 124.38 1a63 n LYS 31 Ca -0.08 0.97 -0.17 0.00 -1.05 0.00 0.00 58.31 57.99 1a63 n LYS 31 Cb 0.51 -1.99 -0.08 0.00 -0.65 0.00 0.00 35.03 32.82 1a63 n LYS 31 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1a63 h GLN 32 N 0.00 -1.05 -0.47 -1.58 1.08 -2.00 -0.98 115.11 110.10 1a63 h GLN 32 Ca 0.72 0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.90 1a63 h GLN 32 Cb 2.47 0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 30.12 1a63 h GLN 32 CO -0.28 -0.70 -0.07 0.38 -0.95 0.00 0.00 178.83 177.21 1a63 h ASP 33 N -1.28 0.81 -0.80 1.46 3.04 -1.25 -1.96 116.42 116.44 1a63 h ASP 33 Ca -0.11 -0.23 -0.01 0.00 -3.24 0.00 0.00 57.03 53.44 1a63 h ASP 33 Cb 0.84 -0.22 -0.04 0.00 -1.04 0.00 0.00 39.33 38.87 1a63 h ASP 33 CO 0.18 0.92 0.47 0.40 -2.04 0.00 0.00 179.24 179.17 1a63 h ILE 34 N 0.76 1.23 -0.14 4.15 2.04 -1.15 0.21 117.51 124.60 1a63 h ILE 34 Ca 0.13 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1a63 h ILE 34 Cb 0.55 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1a63 h ILE 34 CO 0.03 0.25 0.09 0.40 0.00 0.00 0.00 178.15 178.91 1a63 h ILE 35 N 1.10 1.07 -0.90 -0.67 2.04 -0.73 0.09 117.51 119.52 1a63 h ILE 35 Ca 0.29 -0.18 0.14 0.00 1.00 0.00 0.00 64.86 66.11 1a63 h ILE 35 Cb -0.01 0.93 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 1a63 h ILE 35 CO -0.05 0.07 0.50 -0.26 0.00 0.00 0.00 178.15 178.41 1a63 h PHE 36 N 0.16 0.89 0.50 1.37 0.04 -0.80 0.58 116.94 119.68 1a63 h PHE 36 Ca 0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 1a63 h PHE 36 Cb 0.03 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.93 1a63 h PHE 36 CO -0.05 0.25 -0.24 0.00 -0.60 0.00 0.00 178.31 177.67 1a63 h ALA 37 N 1.56 -0.67 -0.69 2.45 0.00 -0.07 -1.56 119.26 120.28 1a63 h ALA 37 Ca 0.48 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.42 1a63 h ALA 37 Cb 0.64 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1a63 h ALA 37 CO -0.34 -0.82 0.59 0.82 0.00 0.00 0.00 179.25 179.50 1a63 h ILE 38 N -0.79 0.44 -0.12 0.00 2.04 0.50 0.17 117.51 119.75 1a63 h ILE 38 Ca -0.07 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 1a63 h ILE 38 Cb 0.57 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1a63 h ILE 38 CO 0.11 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.93 1a63 h LEU 39 N 0.00 0.44 -0.58 1.44 4.07 -0.02 -0.85 115.31 119.81 1a63 h LEU 39 Ca 0.33 -0.56 -0.08 0.00 0.08 0.00 0.00 57.88 57.64 1a63 h LEU 39 Cb 1.51 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.10 1a63 h LEU 39 CO -0.00 0.92 0.04 0.11 -1.08 0.00 0.00 178.44 178.43 1a63 h LYS 40 N -0.03 1.01 0.17 1.13 1.57 0.08 -0.66 116.57 119.84 1a63 h LYS 40 Ca 0.00 -0.30 -0.27 0.00 -1.87 0.00 0.00 60.65 58.21 1a63 h LYS 40 Cb 0.85 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 33.09 1a63 h LYS 40 CO 0.06 0.98 -1.17 -0.56 -0.57 0.00 0.00 179.45 178.19 1a63 h GLN 41 N 0.90 0.49 -0.15 3.15 3.07 -1.06 -0.34 115.11 121.18 1a63 h GLN 41 Ca 0.17 -0.76 -0.13 0.00 0.09 0.00 0.00 58.65 58.03 1a63 h GLN 41 Cb 0.50 0.27 -0.01 0.00 0.08 0.00 0.00 27.48 28.32 1a63 h GLN 41 CO 0.02 1.35 -0.45 0.45 0.09 0.00 0.00 178.83 180.29 1a63 h HIS 42 N 0.02 0.45 0.11 0.06 3.86 -1.19 0.10 115.15 118.56 1a63 h HIS 42 Ca -0.19 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 1a63 h HIS 42 Cb 1.89 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 30.27 1a63 h HIS 42 CO 0.15 0.76 -0.05 0.00 0.86 0.00 0.00 177.93 179.64 1a63 h ALA 43 N 1.22 -0.15 -0.71 2.45 0.00 -1.16 0.42 119.26 121.33 1a63 h ALA 43 Ca 0.02 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.90 1a63 h ALA 43 Cb 0.91 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 1a63 h ALA 43 CO 0.08 -0.41 0.14 0.87 0.00 0.00 0.00 179.25 179.93 1a63 h LYS 44 N -0.50 0.23 0.00 0.00 1.57 -0.89 2.07 116.57 119.04 1a63 h LYS 44 Ca -0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1a63 h LYS 44 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1a63 h LYS 44 CO 0.02 0.15 0.00 0.43 -0.57 0.00 0.00 179.45 179.49 1a63 n SER 45 N -5.18 0.00 0.00 0.86 7.64 0.01 -4.83 113.62 112.12 1a63 n SER 45 Ca 0.13 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1a63 n SER 45 Cb 0.43 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.44 0.76 3.86 0.23 0.00 0.70 -5.06 105.19 105.23 1a63 n GLY 46 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1a63 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a63 s GLU 47 N -0.53 3.53 0.28 1.61 8.01 0.14 -4.95 118.70 126.78 1a63 s GLU 47 Ca 0.00 0.82 -0.12 0.00 0.01 0.00 0.00 54.97 55.69 1a63 s GLU 47 Cb 0.00 -2.07 -0.08 0.00 -4.31 0.00 0.00 34.13 27.67 1a63 s GLU 47 CO 0.00 -0.62 0.63 -0.51 0.01 0.00 0.00 175.26 174.77 1a63 s ASP 48 N -3.94 6.67 -0.03 -0.19 1.01 -1.26 -4.24 116.67 114.69 1a63 s ASP 48 Ca 0.56 1.07 0.01 0.00 0.71 0.00 0.00 52.55 54.90 1a63 s ASP 48 Cb -0.11 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1a63 s ASP 48 CO 0.51 -0.15 -0.05 0.27 0.21 0.00 0.00 175.17 175.97 1a63 s ILE 49 N -1.92 0.47 0.16 0.77 -4.36 -1.26 -2.91 121.20 112.15 1a63 s ILE 49 Ca 0.50 -0.15 -0.02 0.00 -0.26 0.00 0.00 60.65 60.73 1a63 s ILE 49 Cb -0.11 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.10 1a63 s ILE 49 CO 0.20 0.18 0.10 0.72 0.24 0.00 0.00 174.94 176.38 1a63 s PHE 50 N 0.53 0.93 0.40 1.37 -0.71 0.58 -2.74 117.98 118.34 1a63 s PHE 50 Ca -0.07 -1.25 0.06 0.00 -1.04 0.00 0.00 56.93 54.63 1a63 s PHE 50 Cb -0.10 -0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 41.16 1a63 s PHE 50 CO -0.00 -0.57 0.02 0.20 -1.34 0.00 0.00 175.22 173.53 1a63 s GLY 51 N -3.08 2.44 -0.01 1.99 0.00 -0.19 -0.87 107.32 107.60 1a63 s GLY 51 Ca 0.28 -2.11 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 1a63 s GLY 51 CO 0.05 -2.03 1.04 0.51 0.00 0.00 0.00 173.10 172.66 1a63 s ASP 52 N -3.66 -0.22 0.00 1.64 1.47 -1.26 -1.58 116.67 113.05 1a63 s ASP 52 Ca 0.33 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.94 1a63 s ASP 52 Cb 0.09 0.32 0.00 0.00 -0.34 0.00 0.00 42.92 42.99 1a63 s ASP 52 CO 0.16 -0.56 0.00 0.61 0.68 0.00 0.00 175.17 176.07 1a63 n GLY 53 N -0.30 0.23 2.95 2.12 0.00 -0.35 -4.43 105.19 105.40 1a63 n GLY 53 Ca -0.06 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 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 -4.00 1.17 0.99 1.61 1.01 -0.28 -1.14 120.40 119.76 1a63 s VAL 54 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1a63 s VAL 54 Cb 0.00 -1.15 0.18 0.00 0.00 0.00 0.00 36.38 35.41 1a63 s VAL 54 CO 0.00 0.39 1.09 -0.76 0.00 0.00 0.00 175.10 175.82 1a63 s LEU 55 N 1.54 2.09 -0.08 3.92 1.43 -0.05 -3.31 118.68 124.21 1a63 s LEU 55 Ca 0.03 1.83 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1a63 s LEU 55 Cb -0.13 -4.08 0.04 0.00 0.03 0.00 0.00 46.19 42.05 1a63 s LEU 55 CO -0.07 -3.33 0.04 -1.61 0.23 0.00 0.00 176.35 171.60 1a63 s GLU 56 N -4.65 0.25 0.56 1.70 0.41 0.63 0.11 118.70 117.71 1a63 s GLU 56 Ca 0.66 0.16 -0.07 0.00 -0.41 0.00 0.00 54.97 55.31 1a63 s GLU 56 Cb -0.22 -0.97 -0.02 0.00 -1.78 0.00 0.00 34.13 31.14 1a63 s GLU 56 CO 0.60 -0.39 0.89 0.42 -0.49 0.00 0.00 175.26 176.30 1a63 s ILE 57 N 2.07 4.30 -0.03 -1.63 -1.09 -1.26 -1.00 121.20 122.56 1a63 s ILE 57 Ca 0.04 0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1a63 s ILE 57 Cb -0.13 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1a63 s ILE 57 CO -0.05 -0.74 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.03 1a63 s LEU 58 N -4.96 1.87 0.48 2.97 1.02 0.73 -4.90 118.68 115.89 1a63 s LEU 58 Ca 0.52 -0.27 0.37 0.00 0.02 0.00 0.00 54.13 54.77 1a63 s LEU 58 Cb -0.11 -0.75 1.54 0.00 0.02 0.00 0.00 46.19 46.89 1a63 s LEU 58 CO 0.47 0.11 1.60 1.56 0.02 0.00 0.00 176.35 180.12 1a63 h GLN 59 N 6.27 0.03 0.00 1.70 4.20 -1.99 1.31 115.11 126.63 1a63 h GLN 59 Ca -0.33 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1a63 h GLN 59 Cb 1.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1a63 h GLN 59 CO 0.48 0.02 0.00 -0.25 -0.67 0.00 0.00 178.83 178.41 1a63 n ASP 60 N -4.46 0.00 0.00 1.46 8.00 -1.26 -4.80 116.55 115.49 1a63 n ASP 60 Ca 0.40 0.38 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1a63 n ASP 60 Cb 1.63 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.34 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 -1.25 0.74 3.60 0.44 0.00 0.45 -5.06 105.19 104.10 1a63 n GLY 61 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1a63 n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a63 s PHE 62 N -2.36 1.77 0.34 1.61 -0.71 -1.24 -3.70 117.98 113.68 1a63 s PHE 62 Ca 0.00 -1.27 -0.18 0.00 -1.04 0.00 0.00 56.93 54.45 1a63 s PHE 62 Cb 0.00 -1.25 0.05 0.00 -1.21 0.00 0.00 43.02 40.61 1a63 s PHE 62 CO 0.00 -0.22 0.81 0.20 -1.34 0.00 0.00 175.22 174.67 1a63 s GLY 63 N -3.71 0.23 0.10 1.99 0.00 -0.06 -0.19 107.32 105.68 1a63 s GLY 63 Ca 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.34 1a63 s GLY 63 CO 0.11 0.01 -0.15 -1.36 0.00 0.00 0.00 173.10 171.72 1a63 s PHE 64 N -2.64 1.36 0.22 1.90 0.08 -0.17 0.04 117.98 118.77 1a63 s PHE 64 Ca 0.15 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1a63 s PHE 64 Cb -0.05 -0.73 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 1a63 s PHE 64 CO 0.10 0.11 0.38 -1.17 -0.10 0.00 0.00 175.22 174.54 1a63 s LEU 65 N -2.13 4.24 0.00 -0.37 0.20 -0.29 -0.27 118.68 120.05 1a63 s LEU 65 Ca 0.04 0.30 0.00 0.00 0.69 0.00 0.00 54.13 55.17 1a63 s LEU 65 Cb -0.07 -3.08 0.00 0.00 -0.43 0.00 0.00 46.19 42.61 1a63 s LEU 65 CO 0.03 -0.06 0.00 -2.11 -0.29 0.00 0.00 176.35 173.92 1a63 n ARG 66 N -0.91 0.00 0.00 1.98 1.85 -1.21 -1.46 116.66 116.91 1a63 n ARG 66 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1a63 n ARG 66 Cb 0.55 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.96 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 0.00 0.00 -0.00 2.89 7.64 -1.26 -1.12 113.62 121.77 1a63 n SER 67 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1a63 n SER 67 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 2.35 -1.00 -0.43 0.00 -1.26 -3.21 120.51 113.96 1a63 n ALA 68 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1a63 n ALA 68 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1a63 n ALA 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a63 n ASP 69 N -1.63 -0.31 0.00 0.00 5.75 -1.26 -5.06 116.55 114.04 1a63 n ASP 69 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1a63 n ASP 69 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1a63 n SER 70 N -0.65 0.00 0.00 -1.12 7.64 -1.26 -4.99 113.62 113.23 1a63 n SER 70 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a63 n SER 70 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1a63 n SER 70 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a63 n SER 71 N -1.81 0.00 0.00 6.43 2.88 -1.26 -4.38 113.62 115.48 1a63 n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a63 n SER 71 Cb 0.00 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1a63 n SER 71 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1a63 n TYR 72 N -1.99 0.00 -2.98 0.66 4.01 -1.26 -4.89 117.16 110.70 1a63 n TYR 72 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1a63 n TYR 72 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.11 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 4.77 -1.26 -5.12 117.00 123.11 1a63 n LEU 73 Ca 0.00 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1a63 n LEU 73 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1a63 n LEU 73 CO 0.00 -0.76 0.00 0.00 -1.33 0.00 0.00 177.39 175.30 1a63 n ALA 74 N -2.39 0.00 -3.34 -1.18 0.00 -1.26 -5.05 120.51 107.29 1a63 n ALA 74 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1a63 n ALA 74 Cb 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 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 0.00 -0.52 0.13 0.00 0.00 -1.26 -5.04 107.32 100.63 1a63 s GLY 75 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 1a63 s GLY 75 CO 0.00 0.21 1.59 -0.56 0.00 0.00 0.00 173.10 174.34 1a63 h PRO 76 N 2.34 0.68 -0.75 2.90 0.13 -2.02 -3.00 132.00 132.28 1a63 h PRO 76 Ca -0.33 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1a63 h PRO 76 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1a63 h PRO 76 CO 0.40 0.74 0.00 -0.25 -0.23 0.00 0.00 178.00 178.66 1a63 n ASP 77 N -4.50 3.09 -3.14 1.44 8.00 -1.26 -4.91 116.55 115.28 1a63 n ASP 77 Ca -0.01 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.10 1a63 n ASP 77 Cb 0.25 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 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 0.32 0.00 -4.07 -2.24 9.92 -1.13 -5.00 116.55 114.35 1a63 n ASP 78 Ca 0.13 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.15 1a63 n ASP 78 Cb 0.65 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.97 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 1.18 0.40 0.53 -1.09 -0.54 -4.76 121.20 116.92 1a63 s ILE 79 Ca 0.00 -0.56 -0.23 0.00 -2.23 0.00 0.00 60.65 57.63 1a63 s ILE 79 Cb 0.00 -1.04 -0.10 0.00 -1.58 0.00 0.00 42.46 39.74 1a63 s ILE 79 CO 0.00 0.35 0.98 -0.47 -1.23 0.00 0.00 174.94 174.57 1a63 s TYR 80 N 0.26 3.38 -0.12 3.97 5.04 -0.15 -1.14 117.35 128.59 1a63 s TYR 80 Ca -0.07 1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 56.19 1a63 s TYR 80 Cb -0.12 -2.95 0.05 0.00 0.35 0.00 0.00 41.96 39.29 1a63 s TYR 80 CO 0.02 -0.20 0.09 0.08 -1.34 0.00 0.00 175.55 174.20 1a63 s VAL 81 N -1.88 -0.12 0.77 3.14 1.01 0.11 -0.83 120.40 122.59 1a63 s VAL 81 Ca 0.58 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 1a63 s VAL 81 Cb -0.15 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1a63 s VAL 81 CO 0.20 -0.09 1.09 -0.44 0.00 0.00 0.00 175.10 175.86 1a63 s SER 82 N 2.17 4.76 0.02 3.32 0.01 -1.26 -0.89 113.70 121.84 1a63 s SER 82 Ca 0.03 1.37 -0.25 0.00 1.31 0.00 0.00 55.95 58.41 1a63 s SER 82 Cb -0.14 -2.14 -0.17 0.00 0.21 0.00 0.00 66.02 63.77 1a63 s SER 82 CO -0.07 -1.81 1.38 1.55 0.41 0.00 0.00 173.24 174.70 1a63 h PRO 83 N -0.98 -0.26 -0.97 12.44 0.13 -1.93 -1.52 132.00 138.90 1a63 h PRO 83 Ca -0.46 0.02 0.29 0.00 -0.87 0.00 0.00 66.00 64.98 1a63 h PRO 83 Cb 1.25 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.30 1a63 h PRO 83 CO 0.59 0.02 0.50 1.03 -0.23 0.00 0.00 178.00 179.91 1a63 h SER 84 N -0.55 0.44 0.79 1.44 0.87 -1.94 2.03 113.55 116.64 1a63 h SER 84 Ca -0.03 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1a63 h SER 84 Cb 0.41 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1a63 h SER 84 CO 0.05 -0.09 -0.38 1.56 -0.53 0.00 0.00 176.83 177.43 1a63 h GLN 85 N 0.35 -1.03 0.21 2.24 1.08 -1.81 1.68 115.11 117.83 1a63 h GLN 85 Ca 0.68 0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.96 1a63 h GLN 85 Cb 1.47 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 29.10 1a63 h GLN 85 CO -0.59 -0.67 -0.28 0.82 -0.95 0.00 0.00 178.83 177.16 1a63 h ILE 86 N -1.19 0.39 -0.77 2.54 2.04 0.45 -2.39 117.51 118.59 1a63 h ILE 86 Ca -0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1a63 h ILE 86 Cb 0.83 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1a63 h ILE 86 CO 0.18 0.00 0.48 0.03 0.00 0.00 0.00 178.15 178.84 1a63 h ARG 87 N -0.55 0.89 -0.65 2.37 3.08 0.31 0.41 114.38 120.24 1a63 h ARG 87 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1a63 h ARG 87 Cb 0.54 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1a63 h ARG 87 CO -0.10 0.59 0.39 0.00 -1.07 0.00 0.00 179.97 179.77 1a63 h ARG 88 N 0.92 0.88 -0.31 0.04 3.08 0.29 -2.93 114.38 116.36 1a63 h ARG 88 Ca 0.32 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1a63 h ARG 88 Cb 0.07 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1a63 h ARG 88 CO -0.13 0.63 0.00 1.19 -1.07 0.00 0.00 179.97 180.58 1a63 n PHE 89 N -4.40 0.60 -3.24 3.04 3.72 -0.94 -4.97 117.46 111.27 1a63 n PHE 89 Ca 0.06 -0.61 -0.15 0.00 -0.05 0.00 0.00 57.45 56.70 1a63 n PHE 89 Cb 0.07 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.19 -4.23 -2.18 4.37 4.05 0.03 -4.73 115.26 112.76 1a63 n ASN 90 Ca 0.14 -0.63 -0.02 0.00 0.45 0.00 0.00 54.58 54.53 1a63 n ASN 90 Cb 0.56 -4.90 0.01 0.00 1.23 0.00 0.00 39.78 36.69 1a63 n ASN 90 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1a63 n LEU 91 N -3.53 0.00 -3.44 1.20 4.77 -0.56 -5.03 117.00 110.40 1a63 n LEU 91 Ca -0.17 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 1a63 n LEU 91 Cb 0.64 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1a63 n LEU 91 CO 0.56 -0.55 0.38 -0.13 -1.33 0.00 0.00 177.39 176.32 1a63 s ARG 92 N -2.75 1.26 0.78 3.23 0.52 -1.26 -4.94 118.95 115.79 1a63 s ARG 92 Ca 0.05 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 1a63 s ARG 92 Cb -0.00 0.58 0.07 0.00 0.52 0.00 0.00 34.95 36.11 1a63 s ARG 92 CO 0.04 -0.55 1.15 -0.08 0.02 0.00 0.00 175.30 175.88 1a63 s THR 93 N -3.76 2.57 0.00 0.02 -1.32 -1.26 -1.51 115.64 110.38 1a63 s THR 93 Ca 0.01 0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1a63 s THR 93 Cb -0.01 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1a63 s THR 93 CO -0.13 -0.19 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1a63 n GLY 94 N -0.09 2.24 3.76 6.08 0.00 0.31 -4.90 105.19 112.59 1a63 n GLY 94 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.51 5.66 -0.24 1.61 1.11 -0.57 -4.62 116.67 116.11 1a63 s ASP 95 Ca 0.00 2.39 -0.20 0.00 0.18 0.00 0.00 52.55 54.92 1a63 s ASP 95 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 1a63 s ASP 95 CO 0.00 -1.28 0.63 -0.89 1.18 0.00 0.00 175.17 174.81 1a63 s THR 96 N -1.55 5.00 0.10 -1.27 2.01 -1.26 -0.87 115.64 117.80 1a63 s THR 96 Ca 0.70 1.14 -0.05 0.00 0.31 0.00 0.00 61.69 63.79 1a63 s THR 96 Cb -0.31 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1a63 s THR 96 CO 0.35 0.05 0.13 -0.63 -0.69 0.00 0.00 174.62 173.83 1a63 s ILE 97 N 2.33 0.14 -0.11 1.82 1.01 -0.29 -1.04 121.20 125.06 1a63 s ILE 97 Ca 0.27 -1.52 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 1a63 s ILE 97 Cb -0.16 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1a63 s ILE 97 CO 0.09 -0.63 0.29 -0.94 0.00 0.00 0.00 174.94 173.75 1a63 s SER 98 N -2.93 -0.31 0.16 3.58 1.04 -0.87 -1.21 113.70 113.16 1a63 s SER 98 Ca 0.11 0.59 -0.18 0.00 0.48 0.00 0.00 55.95 56.96 1a63 s SER 98 Cb 0.06 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.82 1a63 s SER 98 CO -0.06 -0.12 0.85 0.61 0.98 0.00 0.00 173.24 175.51 1a63 n GLY 99 N 3.20 0.74 3.91 7.32 0.00 -0.61 -0.68 105.19 119.06 1a63 n GLY 99 Ca -0.15 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 3.61 0.17 1.61 -2.85 -0.32 -1.02 119.74 118.89 1a63 s LYS 100 Ca 0.19 0.09 0.08 0.00 -1.00 0.00 0.00 55.97 55.33 1a63 s LYS 100 Cb -0.02 -2.53 -0.04 0.00 -2.06 0.00 0.00 37.83 33.18 1a63 s LYS 100 CO 0.05 0.05 -0.17 0.96 0.10 0.00 0.00 175.35 176.33 1a63 s ILE 101 N -2.35 1.77 0.03 3.79 -4.36 -1.11 -0.62 121.20 118.35 1a63 s ILE 101 Ca 0.46 -1.94 -0.15 0.00 -0.26 0.00 0.00 60.65 58.76 1a63 s ILE 101 Cb -0.10 -1.84 0.03 0.00 1.25 0.00 0.00 42.46 41.79 1a63 s ILE 101 CO 0.35 -0.36 0.34 -0.60 0.24 0.00 0.00 174.94 174.91 1a63 s ARG 102 N -2.89 0.82 0.11 0.37 3.52 -0.30 -4.81 118.95 115.77 1a63 s ARG 102 Ca 0.16 -0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 55.08 1a63 s ARG 102 Cb -0.05 0.36 -0.06 0.00 -1.56 0.00 0.00 34.95 33.63 1a63 s ARG 102 CO 0.06 -0.26 0.85 -1.25 -0.81 0.00 0.00 175.30 173.89 1a63 s PRO 103 N -2.30 4.62 0.00 5.12 0.04 -1.26 -1.29 135.00 139.93 1a63 s PRO 103 Ca -0.07 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1a63 s PRO 103 Cb -0.02 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1a63 s PRO 103 CO -0.02 0.33 0.00 -0.35 0.04 0.00 0.00 177.00 177.01 1a63 n PRO 104 N 2.45 0.00 -0.72 0.56 -0.04 -1.26 -4.96 135.00 131.02 1a63 n PRO 104 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1a63 n PRO 104 Cb 0.49 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 0.07 0.03 0.54 4.81 -1.26 -4.98 118.16 117.37 1a63 n LYS 105 Ca 0.00 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.66 1a63 n LYS 105 Cb 0.00 0.00 0.73 0.00 0.02 0.00 0.00 35.03 35.78 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 -1.97 1.64 4.39 -2.05 0.38 114.58 116.97 1a63 h GLU 106 Ca 0.00 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1a63 h GLU 106 Cb 0.00 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.55 1a63 h GLU 106 CO 0.00 0.00 -0.07 0.41 -1.16 0.00 0.00 179.01 178.19 1a63 n GLY 107 N -1.54 3.43 0.00 -3.84 0.00 -1.26 -4.57 105.19 97.41 1a63 n GLY 107 Ca 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 1.80 0.00 0.00 1.61 0.00 0.12 -4.83 120.64 119.33 1a63 n GLU 108 Ca 0.40 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.61 1a63 n GLU 108 Cb 0.75 -0.42 0.00 0.00 0.00 0.00 0.00 31.44 31.77 1a63 n GLU 108 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1a63 n ARG 109 N -0.97 0.00 -4.36 5.31 0.00 -1.26 -4.72 116.66 110.66 1a63 n ARG 109 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1a63 n ARG 109 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.37 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 3.00 0.94 -0.14 2.02 -1.26 -5.11 117.35 116.80 1a63 s TYR 110 Ca 0.00 0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 1a63 s TYR 110 Cb 0.00 -1.65 0.15 0.00 -0.40 0.00 0.00 41.96 40.06 1a63 s TYR 110 CO 0.00 0.43 1.09 -0.06 -1.57 0.00 0.00 175.55 175.43 1a63 s PHE 111 N -1.04 2.15 0.12 2.71 0.40 -1.26 -4.77 117.98 116.29 1a63 s PHE 111 Ca 0.18 1.25 0.10 0.00 -0.60 0.00 0.00 56.93 57.85 1a63 s PHE 111 Cb -0.11 -3.18 -0.04 0.00 0.51 0.00 0.00 43.02 40.20 1a63 s PHE 111 CO 0.09 -2.64 -0.23 0.00 0.70 0.00 0.00 175.22 173.14 1a63 s ALA 112 N -2.87 2.10 0.58 5.36 0.00 -0.41 -0.98 121.76 125.54 1a63 s ALA 112 Ca 0.64 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 1a63 s ALA 112 Cb -0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.59 1a63 s ALA 112 CO 0.58 0.43 1.35 -1.17 0.00 0.00 0.00 175.76 176.94 1a63 s LEU 113 N -2.08 3.75 0.10 0.00 2.96 -0.01 -1.15 118.68 122.26 1a63 s LEU 113 Ca 0.11 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 1a63 s LEU 113 Cb -0.10 -4.39 0.00 0.00 0.50 0.00 0.00 46.19 42.21 1a63 s LEU 113 CO 0.06 -1.75 0.00 -0.11 -1.32 0.00 0.00 176.35 173.23 1a63 n LEU 114 N -1.34 0.33 -4.21 -0.68 7.94 0.20 -4.58 117.00 114.67 1a63 n LEU 114 Ca 0.12 0.16 -0.27 0.00 -1.11 0.00 0.00 56.01 54.91 1a63 n LEU 114 Cb 0.46 -0.02 -0.16 0.00 0.53 0.00 0.00 43.42 44.23 1a63 n LEU 114 CO 0.51 -0.51 -0.52 -0.75 -1.11 0.00 0.00 177.39 175.01 1a63 s LYS 115 N -2.00 1.63 -0.13 1.96 2.20 -1.00 -4.94 119.74 117.47 1a63 s LYS 115 Ca 0.00 -0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 54.72 1a63 s LYS 115 Cb 0.00 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.71 1a63 s LYS 115 CO 0.00 0.42 0.45 0.08 -0.36 0.00 0.00 175.35 175.94 1a63 s VAL 116 N -0.45 5.20 -0.18 4.02 1.01 -1.26 -1.18 120.40 127.57 1a63 s VAL 116 Ca 0.07 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1a63 s VAL 116 Cb -0.08 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 1a63 s VAL 116 CO -0.01 0.33 -0.15 0.59 0.00 0.00 0.00 175.10 175.86 1a63 n ASN 117 N 3.71 2.61 -3.94 3.32 3.02 0.15 -4.97 115.26 119.16 1a63 n ASN 117 Ca -0.08 -0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.29 1a63 n ASN 117 Cb 0.52 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.33 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 -2.35 0.56 -0.28 3.52 2.12 -0.79 -4.93 118.70 116.55 1a63 s GLU 118 Ca -0.23 -0.75 -0.15 0.00 0.36 0.00 0.00 54.97 54.20 1a63 s GLU 118 Cb 0.06 0.22 0.09 0.00 0.26 0.00 0.00 34.13 34.76 1a63 s GLU 118 CO 0.41 -0.14 0.68 0.08 -0.54 0.00 0.00 175.26 175.76 1a63 s VAL 119 N -2.53 -0.18 -1.47 3.70 1.01 -1.19 -2.06 120.40 117.69 1a63 s VAL 119 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1a63 s VAL 119 Cb -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1a63 s VAL 119 CO -0.04 0.00 0.11 -3.20 0.00 0.00 0.00 175.10 171.96 1a63 n ASN 120 N 4.52 0.14 -2.89 3.32 2.85 -0.21 0.89 115.26 123.89 1a63 n ASN 120 Ca -0.19 -1.26 -0.10 0.00 -0.11 0.00 0.00 54.58 52.93 1a63 n ASN 120 Cb 0.57 -1.56 -0.01 0.00 1.24 0.00 0.00 39.78 40.02 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1a63 n PHE 121 N -4.60 -1.80 -4.07 1.20 7.35 -1.26 -4.85 117.46 109.43 1a63 n PHE 121 Ca -0.29 0.14 -0.10 0.00 -0.76 0.00 0.00 57.45 56.44 1a63 n PHE 121 Cb 0.66 -1.39 -0.08 0.00 0.35 0.00 0.00 39.48 39.02 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 0.06 0.65 -2.13 1.11 0.26 -5.15 116.67 109.21 1a63 s ASP 122 Ca 0.17 -1.08 -0.11 0.00 0.18 0.00 0.00 52.55 51.70 1a63 s ASP 122 Cb -0.10 0.45 -0.02 0.00 1.07 0.00 0.00 42.92 44.33 1a63 s ASP 122 CO 0.20 -0.93 1.05 -0.54 1.18 0.00 0.00 175.17 176.12 1a63 s LYS 123 N -4.05 3.31 0.00 8.23 -0.14 -1.26 -3.15 119.74 122.67 1a63 s LYS 123 Ca 0.26 0.79 -0.02 0.00 -1.36 0.00 0.00 55.97 55.64 1a63 s LYS 123 Cb 0.04 -2.04 -0.08 0.00 -1.68 0.00 0.00 37.83 34.07 1a63 s LYS 123 CO 0.07 -0.79 1.73 -0.35 -0.76 0.00 0.00 175.35 175.25 1a63 n PRO 124 N -2.90 0.87 0.00 -1.68 -0.04 -1.26 -4.72 135.00 125.26 1a63 n PRO 124 Ca 0.07 -0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1a63 n PRO 124 Cb 0.54 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 2.18 0.00 -0.14 0.54 2.13 -1.26 -4.81 120.64 119.27 1a63 n GLU 125 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1a63 n GLU 125 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.12 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 0.00 4.31 5.03 -1.26 -5.07 115.26 118.27 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 0.00 -0.02 5.41 0.00 -1.26 -5.02 120.51 119.63 1a63 n ALA 127 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1a63 n ALA 127 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1a63 n ALA 127 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1a63 n ARG 128 N 0.00 2.36 -1.46 0.00 0.00 -1.26 -5.13 116.66 111.17 1a63 n ARG 128 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1a63 n ARG 128 Cb 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 32.46 31.35 1a63 n ARG 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1a63 n ASN 129 N -2.01 -7.96 0.00 2.89 3.02 -1.26 -5.38 115.26 104.56 1a63 n ASN 129 Ca -0.05 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 1a63 n ASN 129 Cb 0.49 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 1a63 n ASN 129 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93