#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 6.18 0.34 7.83 2.47 -1.24 0.57 114.94 131.09 1a63 s ASN 2 Ca 0.00 -0.91 0.12 0.00 0.42 0.00 0.00 52.86 52.49 1a63 s ASN 2 Cb 0.00 -2.56 1.06 0.00 -1.45 0.00 0.00 41.25 38.29 1a63 s ASN 2 CO 0.00 -1.79 1.60 0.25 -3.72 0.00 0.00 177.10 173.44 1a63 h LEU 3 N 13.55 0.11 -1.36 3.21 5.85 -1.35 1.73 115.31 137.05 1a63 h LEU 3 Ca -0.01 0.24 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1a63 h LEU 3 Cb 1.03 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1a63 h LEU 3 CO 1.34 -0.32 0.51 0.74 -0.34 0.00 0.00 178.44 180.38 1a63 h THR 4 N 0.10 0.95 0.04 1.05 2.02 -1.89 -0.33 112.91 114.85 1a63 h THR 4 Ca 0.72 -0.25 -0.27 0.00 0.77 0.00 0.00 66.41 67.38 1a63 h THR 4 Cb 1.72 0.17 0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1a63 h THR 4 CO -0.76 0.13 -1.10 -0.33 0.37 0.00 0.00 175.52 173.84 1a63 h GLU 5 N 0.72 0.63 -0.32 6.66 5.08 0.22 -0.65 114.58 126.92 1a63 h GLU 5 Ca 0.36 -0.73 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1a63 h GLU 5 Cb 0.43 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1a63 h GLU 5 CO -0.13 1.31 -0.01 -0.07 -1.00 0.00 0.00 179.01 179.11 1a63 h LEU 6 N 0.33 -0.15 -0.42 1.33 3.38 0.22 -0.08 115.31 119.92 1a63 h LEU 6 Ca -0.14 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1a63 h LEU 6 Cb 1.75 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1a63 h LEU 6 CO 0.21 -0.04 -0.42 0.11 0.09 0.00 0.00 178.44 178.39 1a63 h LYS 7 N 0.08 0.86 0.00 1.13 1.57 -1.14 -2.97 116.57 116.10 1a63 h LYS 7 Ca 0.15 -0.47 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1a63 h LYS 7 Cb 0.21 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1a63 h LYS 7 CO -0.27 1.11 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.78 1a63 h ASN 8 N 0.69 0.00 -3.69 0.86 2.35 -0.44 -3.42 115.58 111.94 1a63 h ASN 8 Ca 0.05 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.30 1a63 h ASN 8 Cb 1.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1a63 h ASN 8 CO 0.10 0.04 0.30 -0.89 -1.65 0.00 0.00 177.43 175.33 1a63 s THR 9 N -4.18 4.15 0.67 2.81 2.01 -0.11 -5.02 115.64 115.97 1a63 s THR 9 Ca -0.03 1.98 -0.17 0.00 0.31 0.00 0.00 61.69 63.78 1a63 s THR 9 Cb 0.13 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1a63 s THR 9 CO 0.51 0.51 1.21 -2.16 -0.69 0.00 0.00 174.62 174.00 1a63 s PRO 10 N -1.18 2.54 0.20 4.92 0.04 -1.26 -4.71 135.00 135.56 1a63 s PRO 10 Ca 0.40 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 1a63 s PRO 10 Cb -0.25 -1.88 0.21 0.00 0.04 0.00 0.00 34.50 32.62 1a63 s PRO 10 CO 0.30 -1.54 1.62 -0.24 0.04 0.00 0.00 177.00 177.19 1a63 h VAL 11 N 0.25 0.36 -0.74 -0.36 3.04 -1.93 0.80 116.25 117.68 1a63 h VAL 11 Ca -0.49 0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.30 1a63 h VAL 11 Cb 1.30 0.36 -0.07 0.00 -2.01 0.00 0.00 31.29 30.87 1a63 h VAL 11 CO 0.52 0.00 0.37 -1.28 -1.01 0.00 0.00 177.57 176.18 1a63 h SER 12 N -0.02 0.49 0.54 3.17 0.87 -1.99 0.30 113.55 116.90 1a63 h SER 12 Ca 0.29 0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.85 1a63 h SER 12 Cb 0.46 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1a63 h SER 12 CO -0.63 0.27 -0.30 -0.33 -0.53 0.00 0.00 176.83 175.31 1a63 h GLU 13 N 0.62 0.00 -0.24 2.24 4.39 -1.29 -0.72 114.58 119.59 1a63 h GLU 13 Ca 0.36 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.96 1a63 h GLU 13 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1a63 h GLU 13 CO -0.28 0.30 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.52 1a63 h LEU 14 N 0.00 0.66 -0.66 1.33 4.07 0.16 -0.57 115.31 120.30 1a63 h LEU 14 Ca -0.00 -0.49 -0.10 0.00 0.08 0.00 0.00 57.88 57.37 1a63 h LEU 14 Cb 0.64 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1a63 h LEU 14 CO 0.04 1.02 -0.06 0.40 -1.08 0.00 0.00 178.44 178.75 1a63 h ILE 15 N 0.32 1.26 -0.56 1.22 5.03 -0.46 -0.44 117.51 123.88 1a63 h ILE 15 Ca 0.03 -1.19 -0.07 0.00 -0.12 0.00 0.00 64.86 63.51 1a63 h ILE 15 Cb 0.84 0.91 -0.02 0.00 -3.03 0.00 0.00 36.82 35.52 1a63 h ILE 15 CO 0.07 0.42 0.06 0.74 -0.68 0.00 0.00 178.15 178.76 1a63 h THR 16 N 0.88 1.25 -0.42 -0.27 2.02 -1.05 0.01 112.91 115.33 1a63 h THR 16 Ca 0.15 -0.98 -0.09 0.00 0.77 0.00 0.00 66.41 66.26 1a63 h THR 16 Cb 0.60 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1a63 h THR 16 CO 0.04 0.36 -0.11 -0.07 0.37 0.00 0.00 175.52 176.11 1a63 h LEU 17 N 0.86 0.73 -0.35 2.58 4.07 -0.69 -1.00 115.31 121.51 1a63 h LEU 17 Ca 0.17 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 1a63 h LEU 17 Cb 0.42 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1a63 h LEU 17 CO 0.01 0.86 -0.13 1.23 -1.08 0.00 0.00 178.44 179.34 1a63 h GLY 18 N 0.97 0.75 0.55 0.83 0.00 -0.60 -2.17 103.07 103.40 1a63 h GLY 18 Ca 0.12 -0.65 0.07 0.00 0.00 0.00 0.00 47.33 46.86 1a63 h GLY 18 CO 0.04 0.59 0.20 0.83 0.00 0.00 0.00 176.54 178.19 1a63 h GLU 19 N 0.48 0.37 -0.03 4.80 4.39 0.98 0.98 114.58 126.55 1a63 h GLU 19 Ca 0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1a63 h GLU 19 Cb 0.65 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1a63 h GLU 19 CO 0.04 0.25 0.03 -0.91 -1.16 0.00 0.00 179.01 177.26 1a63 h ASN 20 N 0.38 0.00 -0.68 1.42 4.21 -0.92 0.09 115.58 120.08 1a63 h ASN 20 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1a63 h ASN 20 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1a63 h ASN 20 CO -0.23 0.00 0.00 0.23 -1.29 0.00 0.00 177.43 176.14 1a63 n MET 21 N -3.89 3.15 0.00 0.81 2.81 0.18 -4.93 117.12 115.24 1a63 n MET 21 Ca -0.02 -2.74 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 1a63 n MET 21 Cb 0.12 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 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 1.38 2.60 3.56 3.03 0.00 0.66 -4.87 105.19 111.56 1a63 n GLY 22 Ca 0.25 0.00 -0.41 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 3.29 0.00 0.99 1.02 0.28 -4.83 118.68 119.44 1a63 s LEU 23 Ca 0.00 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1a63 s LEU 23 Cb 0.00 -2.83 0.03 0.00 0.02 0.00 0.00 46.19 43.40 1a63 s LEU 23 CO 0.00 -1.71 0.21 -1.84 0.02 0.00 0.00 176.35 173.03 1a63 n GLU 24 N 8.96 0.72 -1.46 1.70 0.28 -1.26 -0.85 120.64 128.73 1a63 n GLU 24 Ca 0.06 -3.60 -0.16 0.00 -0.16 0.00 0.00 57.16 53.31 1a63 n GLU 24 Cb 0.49 0.68 -0.07 0.00 1.43 0.00 0.00 31.44 33.97 1a63 n GLU 24 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1a63 n ASN 25 N -1.57 -5.29 0.20 -1.84 5.03 -1.26 -4.85 115.26 105.67 1a63 n ASN 25 Ca -0.12 0.39 0.14 0.00 0.87 0.00 0.00 54.58 55.86 1a63 n ASN 25 Cb 0.64 -4.17 0.39 0.00 -1.02 0.00 0.00 39.78 35.62 1a63 n ASN 25 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1a63 h LEU 26 N 0.00 0.00 -1.95 3.41 3.38 -1.94 -3.25 115.31 114.96 1a63 h LEU 26 Ca -0.32 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.00 1a63 h LEU 26 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1a63 h LEU 26 CO 0.47 0.00 0.90 0.00 0.09 0.00 0.00 178.44 179.90 1a63 h ALA 27 N 2.14 3.13 0.01 1.53 0.00 -1.97 0.44 119.26 124.55 1a63 h ALA 27 Ca 0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1a63 h ALA 27 Cb 0.74 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1a63 h ALA 27 CO 0.00 -1.52 -0.96 0.07 0.00 0.00 0.00 179.25 176.83 1a63 h ARG 28 N 0.00 0.02 -6.76 0.00 0.11 -1.98 -3.46 114.38 102.32 1a63 h ARG 28 Ca 0.57 -0.04 -0.45 0.00 0.10 0.00 0.00 59.98 60.17 1a63 h ARG 28 Cb 2.37 0.01 0.04 0.00 1.11 0.00 0.00 29.97 33.50 1a63 h ARG 28 CO -0.01 0.96 -0.07 0.00 0.10 0.00 0.00 179.97 180.96 1a63 s MET 29 N -2.84 2.82 0.30 0.08 0.23 0.16 -5.11 119.30 114.93 1a63 s MET 29 Ca 0.00 -0.62 -0.02 0.00 -1.03 0.00 0.00 55.69 54.03 1a63 s MET 29 Cb 0.10 -2.52 0.06 0.00 -1.53 0.00 0.00 34.83 30.94 1a63 s MET 29 CO 0.82 -0.48 0.41 0.54 -2.03 0.00 0.00 175.02 174.28 1a63 n ARG 30 N -2.20 0.14 -0.04 3.16 1.74 -1.26 -4.84 116.66 113.36 1a63 n ARG 30 Ca 0.04 -0.96 -0.04 0.00 -0.77 0.00 0.00 57.85 56.13 1a63 n ARG 30 Cb 0.59 -0.31 0.19 0.00 -1.02 0.00 0.00 32.46 31.90 1a63 n ARG 30 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1a63 h LYS 31 N 0.00 0.61 0.76 5.56 3.64 -1.95 -0.37 116.57 124.82 1a63 h LYS 31 Ca -0.13 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 1a63 h LYS 31 Cb 0.46 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1a63 h LYS 31 CO 0.13 0.74 -0.37 1.96 -2.27 0.00 0.00 179.45 179.64 1a63 h GLN 32 N 0.56 -0.99 -0.32 1.90 1.08 -2.00 -0.94 115.11 114.40 1a63 h GLN 32 Ca 0.10 0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 1a63 h GLN 32 Cb 0.57 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 1a63 h GLN 32 CO 0.04 -0.64 -0.15 0.38 -0.95 0.00 0.00 178.83 177.50 1a63 h ASP 33 N -1.18 0.56 -0.60 1.46 3.04 -1.95 -1.63 116.42 116.12 1a63 h ASP 33 Ca -0.10 -0.16 -0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1a63 h ASP 33 Cb 0.80 -0.15 -0.03 0.00 -1.04 0.00 0.00 39.33 38.91 1a63 h ASP 33 CO 0.17 0.74 0.36 0.40 -2.04 0.00 0.00 179.24 178.87 1a63 h ILE 34 N 0.52 1.18 -0.37 4.15 2.04 -1.00 -1.44 117.51 122.59 1a63 h ILE 34 Ca 0.09 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1a63 h ILE 34 Cb 0.57 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1a63 h ILE 34 CO 0.04 0.18 0.14 0.40 0.00 0.00 0.00 178.15 178.91 1a63 h ILE 35 N 0.81 1.19 -1.00 -0.67 2.04 -0.69 -1.64 117.51 117.56 1a63 h ILE 35 Ca 0.21 -0.61 0.14 0.00 1.00 0.00 0.00 64.86 65.61 1a63 h ILE 35 Cb -0.02 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1a63 h ILE 35 CO -0.04 0.22 0.62 -0.26 0.00 0.00 0.00 178.15 178.68 1a63 h PHE 36 N 0.45 1.11 0.26 1.37 -1.00 -0.91 0.34 116.94 118.55 1a63 h PHE 36 Ca 0.12 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1a63 h PHE 36 Cb 0.20 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1a63 h PHE 36 CO 0.00 0.38 -0.12 0.00 -1.61 0.00 0.00 178.31 176.96 1a63 h ALA 37 N 1.57 -0.35 -0.52 2.45 0.00 -0.79 -2.18 119.26 119.44 1a63 h ALA 37 Ca 0.52 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.39 1a63 h ALA 37 Cb 0.61 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1a63 h ALA 37 CO -0.30 -0.49 0.44 0.82 0.00 0.00 0.00 179.25 179.71 1a63 h ILE 38 N -0.75 0.54 -0.19 0.00 2.04 -0.60 0.12 117.51 118.67 1a63 h ILE 38 Ca -0.04 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1a63 h ILE 38 Cb 0.50 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a63 h ILE 38 CO 0.06 0.00 -0.34 -0.07 0.00 0.00 0.00 178.15 177.80 1a63 h LEU 39 N 0.00 0.63 -0.70 1.44 3.38 -0.68 -0.40 115.31 118.98 1a63 h LEU 39 Ca 0.25 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 1a63 h LEU 39 Cb 1.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1a63 h LEU 39 CO -0.00 1.04 0.09 0.11 0.09 0.00 0.00 178.44 179.77 1a63 h LYS 40 N 0.23 1.09 0.03 1.13 1.57 -0.22 0.00 116.57 120.41 1a63 h LYS 40 Ca 0.01 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1a63 h LYS 40 Cb 0.93 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1a63 h LYS 40 CO 0.08 1.01 -0.02 1.96 -0.57 0.00 0.00 179.45 181.91 1a63 h GLN 41 N 1.02 -0.04 -0.40 3.15 7.50 -1.01 0.54 115.11 125.86 1a63 h GLN 41 Ca 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.33 1a63 h GLN 41 Cb 0.46 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 1a63 h GLN 41 CO 0.02 0.61 0.15 1.25 -1.50 0.00 0.00 178.83 179.36 1a63 h HIS 42 N -0.77 0.57 -0.16 2.96 2.76 -1.10 -2.25 115.15 117.14 1a63 h HIS 42 Ca -0.00 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 1a63 h HIS 42 Cb 0.67 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 1a63 h HIS 42 CO 0.16 0.45 -0.22 0.00 -1.30 0.00 0.00 177.93 177.02 1a63 h ALA 43 N 1.60 0.25 -0.77 5.26 0.00 -1.01 -2.30 119.26 122.29 1a63 h ALA 43 Ca 0.14 -0.37 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1a63 h ALA 43 Cb 0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 1a63 h ALA 43 CO -0.01 0.20 0.17 0.87 0.00 0.00 0.00 179.25 180.48 1a63 h LYS 44 N 0.07 0.24 0.00 0.00 1.57 -0.33 2.41 116.57 120.53 1a63 h LYS 44 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a63 h LYS 44 Cb 0.78 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1a63 h LYS 44 CO 0.05 0.16 0.00 0.43 -0.57 0.00 0.00 179.45 179.52 1a63 n SER 45 N -5.18 0.00 -0.35 0.86 7.64 -0.90 -4.83 113.62 110.85 1a63 n SER 45 Ca 0.15 0.24 -0.04 0.00 1.01 0.00 0.00 58.87 60.24 1a63 n SER 45 Cb 0.50 -0.35 -0.01 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.41 0.45 3.88 0.23 0.00 0.81 -5.04 105.19 105.11 1a63 n GLY 46 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.23 2.41 0.27 1.61 8.01 -0.88 -5.01 118.70 121.87 1a63 s GLU 47 Ca 0.00 0.34 -0.12 0.00 0.01 0.00 0.00 54.97 55.20 1a63 s GLU 47 Cb 0.00 -1.98 -0.08 0.00 -4.31 0.00 0.00 34.13 27.76 1a63 s GLU 47 CO 0.00 -1.33 0.63 -0.51 0.01 0.00 0.00 175.26 174.06 1a63 s ASP 48 N -4.39 6.69 -0.09 -0.19 1.01 -1.26 -4.72 116.67 113.72 1a63 s ASP 48 Ca 0.60 1.07 -0.12 0.00 0.71 0.00 0.00 52.55 54.81 1a63 s ASP 48 Cb -0.11 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.55 1a63 s ASP 48 CO 0.51 -0.13 0.31 0.27 0.21 0.00 0.00 175.17 176.34 1a63 s ILE 49 N -1.89 0.02 0.24 0.77 -4.36 -1.26 -4.59 121.20 110.13 1a63 s ILE 49 Ca 0.50 -0.16 -0.02 0.00 -0.26 0.00 0.00 60.65 60.71 1a63 s ILE 49 Cb -0.11 -0.50 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1a63 s ILE 49 CO 0.20 -0.09 0.24 0.72 0.24 0.00 0.00 174.94 176.25 1a63 s PHE 50 N -0.32 1.10 0.33 1.37 -0.71 0.19 -2.89 117.98 117.05 1a63 s PHE 50 Ca -0.05 -1.30 0.05 0.00 -1.04 0.00 0.00 56.93 54.59 1a63 s PHE 50 Cb -0.03 -0.41 -0.07 0.00 -1.21 0.00 0.00 43.02 41.30 1a63 s PHE 50 CO 0.02 -0.78 0.03 0.20 -1.34 0.00 0.00 175.22 173.34 1a63 s GLY 51 N -3.17 2.10 0.04 1.99 0.00 -0.30 -0.81 107.32 107.18 1a63 s GLY 51 Ca 0.36 -2.07 -0.28 0.00 0.00 0.00 0.00 44.72 42.72 1a63 s GLY 51 CO 0.14 -1.87 1.04 0.51 0.00 0.00 0.00 173.10 172.93 1a63 s ASP 52 N -3.52 -0.19 0.00 1.64 1.47 -1.26 -1.59 116.67 113.23 1a63 s ASP 52 Ca 0.35 -0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.87 1a63 s ASP 52 Cb 0.08 0.35 0.00 0.00 -0.34 0.00 0.00 42.92 43.01 1a63 s ASP 52 CO 0.15 -0.63 0.00 0.61 0.68 0.00 0.00 175.17 175.98 1a63 n GLY 53 N -0.38 0.40 2.93 2.12 0.00 -0.35 -4.22 105.19 105.68 1a63 n GLY 53 Ca -0.07 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.30 1.14 0.91 1.61 1.01 -0.04 -1.11 120.40 121.62 1a63 s VAL 54 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1a63 s VAL 54 Cb 0.00 -1.14 0.14 0.00 0.00 0.00 0.00 36.38 35.38 1a63 s VAL 54 CO 0.00 0.39 1.12 -0.76 0.00 0.00 0.00 175.10 175.85 1a63 s LEU 55 N 1.66 2.65 -0.09 3.92 1.43 -0.05 -3.66 118.68 124.54 1a63 s LEU 55 Ca 0.05 2.01 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1a63 s LEU 55 Cb -0.13 -4.41 0.04 0.00 0.03 0.00 0.00 46.19 41.72 1a63 s LEU 55 CO -0.09 -2.98 0.03 -1.61 0.23 0.00 0.00 176.35 171.94 1a63 s GLU 56 N -4.70 0.36 0.63 1.70 0.41 0.46 0.67 118.70 118.23 1a63 s GLU 56 Ca 0.66 0.11 -0.09 0.00 -0.41 0.00 0.00 54.97 55.23 1a63 s GLU 56 Cb -0.22 -1.05 -0.01 0.00 -1.78 0.00 0.00 34.13 31.07 1a63 s GLU 56 CO 0.58 -0.39 0.99 0.42 -0.49 0.00 0.00 175.26 176.38 1a63 s ILE 57 N 2.03 4.06 -0.02 -1.63 -1.09 -1.26 -1.00 121.20 122.29 1a63 s ILE 57 Ca 0.04 0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.95 1a63 s ILE 57 Cb -0.13 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1a63 s ILE 57 CO -0.05 -0.77 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.00 1a63 s LEU 58 N -5.15 1.92 0.46 2.97 1.02 0.78 -4.88 118.68 115.81 1a63 s LEU 58 Ca 0.55 -0.24 0.34 0.00 0.02 0.00 0.00 54.13 54.79 1a63 s LEU 58 Cb -0.11 -0.69 1.48 0.00 0.02 0.00 0.00 46.19 46.89 1a63 s LEU 58 CO 0.50 0.13 1.62 1.56 0.02 0.00 0.00 176.35 180.18 1a63 h GLN 59 N 6.10 0.07 0.00 1.70 4.20 -1.98 1.30 115.11 126.49 1a63 h GLN 59 Ca -0.33 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1a63 h GLN 59 Cb 1.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1a63 h GLN 59 CO 0.49 0.04 0.00 -0.25 -0.67 0.00 0.00 178.83 178.44 1a63 n ASP 60 N -4.54 0.00 0.00 1.46 8.00 -1.26 -4.80 116.55 115.40 1a63 n ASP 60 Ca 0.38 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1a63 n ASP 60 Cb 1.52 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 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 -1.18 0.76 3.59 0.44 0.00 0.45 -5.06 105.19 104.20 1a63 n GLY 61 Ca 0.01 0.00 -0.28 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 -2.22 1.77 0.28 1.61 -0.12 -1.24 -4.04 117.98 114.02 1a63 s PHE 62 Ca 0.00 -1.27 -0.16 0.00 -0.05 0.00 0.00 56.93 55.45 1a63 s PHE 62 Cb 0.00 -1.25 0.01 0.00 -0.63 0.00 0.00 43.02 41.15 1a63 s PHE 62 CO 0.00 -0.23 0.62 0.20 -0.05 0.00 0.00 175.22 175.77 1a63 s GLY 63 N -3.70 0.29 0.07 1.99 0.00 -0.07 -0.16 107.32 105.74 1a63 s GLY 63 Ca 0.16 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.30 1a63 s GLY 63 CO 0.11 -0.37 -0.16 -1.36 0.00 0.00 0.00 173.10 171.32 1a63 s PHE 64 N -3.72 1.38 0.35 1.90 0.08 -0.17 0.11 117.98 117.90 1a63 s PHE 64 Ca 0.17 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.85 1a63 s PHE 64 Cb -0.04 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1a63 s PHE 64 CO 0.09 0.09 0.49 -1.17 -0.10 0.00 0.00 175.22 174.62 1a63 s LEU 65 N -1.66 3.93 0.00 -0.37 0.20 -0.32 -0.40 118.68 120.06 1a63 s LEU 65 Ca 0.01 -0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.67 1a63 s LEU 65 Cb -0.10 -2.78 0.00 0.00 -0.43 0.00 0.00 46.19 42.88 1a63 s LEU 65 CO 0.03 -0.47 0.00 -1.14 -0.29 0.00 0.00 176.35 174.48 1a63 n ARG 66 N -1.69 -1.34 0.00 1.98 0.63 -1.24 -1.63 116.66 113.38 1a63 n ARG 66 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1a63 n ARG 66 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 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 1.10 0.00 0.00 6.15 7.64 -1.26 -0.86 113.62 126.39 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 0.84 -0.69 -0.43 0.00 -1.26 -4.12 120.51 111.85 1a63 n ALA 68 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.27 1a63 n ALA 68 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.79 3.81 -0.00 0.00 5.68 -1.26 -3.92 116.55 119.06 1a63 n ASP 69 Ca 0.00 -2.18 0.05 0.00 -0.50 0.00 0.00 54.79 52.16 1a63 n ASP 69 Cb 0.00 -0.98 -0.08 0.00 -1.14 0.00 0.00 41.12 38.92 1a63 n ASP 69 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a63 n SER 70 N 2.86 2.34 0.00 -1.12 3.41 -1.26 -4.95 113.62 114.90 1a63 n SER 70 Ca 0.32 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1a63 n SER 70 Cb 0.55 1.41 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 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 -1.77 0.00 0.00 4.04 7.64 -1.25 -4.99 113.62 117.29 1a63 n SER 71 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1a63 n SER 71 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.86 1.43 4.01 -1.26 -4.90 117.16 114.58 1a63 n TYR 72 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1a63 n TYR 72 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 -4.94 117.00 123.29 1a63 n LEU 73 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1a63 n LEU 73 Cb 0.00 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1a63 n LEU 73 CO 0.00 -0.60 0.00 0.00 -1.33 0.00 0.00 177.39 175.46 1a63 n ALA 74 N -3.04 0.00 -3.60 -1.18 0.00 -1.26 -5.04 120.51 106.40 1a63 n ALA 74 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1a63 n ALA 74 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 -1.43 -0.33 0.17 0.00 0.00 -1.26 -5.00 107.32 99.46 1a63 s GLY 75 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 44.72 45.93 1a63 s GLY 75 CO 0.00 0.41 1.65 -0.56 0.00 0.00 0.00 173.10 174.61 1a63 h PRO 76 N 2.00 0.96 -0.48 2.90 0.13 -2.01 -2.94 132.00 132.55 1a63 h PRO 76 Ca -0.15 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1a63 h PRO 76 Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1a63 h PRO 76 CO 0.25 0.92 0.00 -0.25 -0.23 0.00 0.00 178.00 178.68 1a63 n ASP 77 N -4.32 1.77 -3.13 1.44 9.92 -1.26 -4.77 116.55 116.20 1a63 n ASP 77 Ca 0.03 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1a63 n ASP 77 Cb 0.28 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 1a63 n ASP 77 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1a63 n ASP 78 N 0.20 0.00 -4.25 -2.24 9.92 -1.11 -5.03 116.55 114.04 1a63 n ASP 78 Ca 0.08 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.02 1a63 n ASP 78 Cb 0.34 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.66 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 2.41 0.42 0.53 1.09 -0.64 -4.64 121.20 120.36 1a63 s ILE 79 Ca 0.00 -0.88 -0.24 0.00 -1.10 0.00 0.00 60.65 58.44 1a63 s ILE 79 Cb 0.00 -1.98 -0.09 0.00 -1.06 0.00 0.00 42.46 39.34 1a63 s ILE 79 CO 0.00 0.54 1.08 -0.47 -0.10 0.00 0.00 174.94 175.99 1a63 s TYR 80 N 0.58 3.15 -0.15 3.97 5.04 -0.23 -1.17 117.35 128.54 1a63 s TYR 80 Ca -0.11 1.61 -0.04 0.00 -2.44 0.00 0.00 57.07 56.08 1a63 s TYR 80 Cb -0.16 -3.20 0.06 0.00 0.35 0.00 0.00 41.96 39.00 1a63 s TYR 80 CO 0.04 -0.89 0.09 0.08 -1.34 0.00 0.00 175.55 173.53 1a63 s VAL 81 N -1.63 -0.11 0.83 3.14 1.01 0.12 -0.53 120.40 123.22 1a63 s VAL 81 Ca 0.60 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1a63 s VAL 81 Cb -0.24 -0.49 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1a63 s VAL 81 CO 0.29 -0.18 1.11 -0.44 0.00 0.00 0.00 175.10 175.88 1a63 s SER 82 N 2.16 4.20 0.03 3.32 0.01 -1.26 -0.89 113.70 121.27 1a63 s SER 82 Ca 0.03 1.24 -0.25 0.00 1.31 0.00 0.00 55.95 58.28 1a63 s SER 82 Cb -0.15 -1.93 -0.18 0.00 0.21 0.00 0.00 66.02 63.97 1a63 s SER 82 CO -0.08 -2.14 1.48 1.55 0.41 0.00 0.00 173.24 174.45 1a63 h PRO 83 N -1.21 -0.02 -1.01 12.44 0.13 -1.94 -1.33 132.00 139.05 1a63 h PRO 83 Ca -0.48 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.91 1a63 h PRO 83 Cb 1.28 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1a63 h PRO 83 CO 0.60 0.24 0.60 0.66 -0.23 0.00 0.00 178.00 179.87 1a63 h SER 84 N -0.28 0.63 0.74 1.44 4.64 -1.93 1.85 113.55 120.63 1a63 h SER 84 Ca -0.00 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1a63 h SER 84 Cb 0.27 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1a63 h SER 84 CO 0.00 0.06 -0.36 1.56 -0.87 0.00 0.00 176.83 177.23 1a63 h GLN 85 N 0.52 -0.96 0.23 4.77 1.08 -1.77 1.31 115.11 120.29 1a63 h GLN 85 Ca 0.66 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.93 1a63 h GLN 85 Cb 1.33 0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.96 1a63 h GLN 85 CO -0.48 -0.62 -0.23 0.82 -0.95 0.00 0.00 178.83 177.37 1a63 h ILE 86 N -1.18 0.50 -0.69 2.54 2.04 0.20 -2.47 117.51 118.45 1a63 h ILE 86 Ca -0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.83 1a63 h ILE 86 Cb 0.79 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 1a63 h ILE 86 CO 0.17 0.00 0.38 -0.09 0.00 0.00 0.00 178.15 178.61 1a63 h ARG 87 N -0.50 0.67 -0.74 2.37 9.65 0.27 0.11 114.38 126.21 1a63 h ARG 87 Ca -0.00 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 1a63 h ARG 87 Cb 0.46 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.85 1a63 h ARG 87 CO -0.05 0.44 0.49 0.00 2.80 0.00 0.00 179.97 183.65 1a63 h ARG 88 N 0.69 0.80 -0.22 0.20 2.47 0.21 -2.83 114.38 115.71 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 0.23 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1a63 h ARG 88 CO -0.20 0.53 0.00 1.19 0.56 0.00 0.00 179.97 182.05 1a63 n PHE 89 N -4.47 0.44 -3.41 3.04 3.72 -0.93 -4.99 117.46 110.87 1a63 n PHE 89 Ca 0.10 -0.66 -0.18 0.00 -0.05 0.00 0.00 57.45 56.67 1a63 n PHE 89 Cb 0.19 -0.12 0.07 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.18 -4.19 -4.27 4.37 2.85 0.30 -4.97 115.26 109.17 1a63 n ASN 90 Ca 0.12 -0.72 -0.24 0.00 -0.11 0.00 0.00 54.58 53.64 1a63 n ASN 90 Cb 0.54 -4.89 0.14 0.00 1.24 0.00 0.00 39.78 36.80 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 -3.76 0.00 -3.59 1.20 4.32 -0.60 -5.03 117.00 109.53 1a63 n LEU 91 Ca -0.18 -1.85 -0.12 0.00 -0.02 0.00 0.00 56.01 53.84 1a63 n LEU 91 Cb 0.64 -0.71 -0.05 0.00 -1.62 0.00 0.00 43.42 41.69 1a63 n LEU 91 CO 0.62 -1.08 0.22 -0.13 -1.22 0.00 0.00 177.39 175.79 1a63 s ARG 92 N -5.20 1.07 0.77 3.23 0.52 -1.26 -4.92 118.95 113.17 1a63 s ARG 92 Ca 0.66 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 55.21 1a63 s ARG 92 Cb -0.03 0.48 0.06 0.00 0.52 0.00 0.00 34.95 35.98 1a63 s ARG 92 CO 0.44 -0.42 1.17 -0.08 0.02 0.00 0.00 175.30 176.43 1a63 s THR 93 N -3.34 2.48 0.00 0.02 -1.32 -1.26 -1.54 115.64 110.68 1a63 s THR 93 Ca -0.00 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1a63 s THR 93 Cb 0.01 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1a63 s THR 93 CO -0.09 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1a63 n GLY 94 N 0.04 2.43 3.77 6.08 0.00 0.21 -4.91 105.19 112.83 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 -3.54 6.17 -0.24 1.61 1.11 -0.59 -4.68 116.67 116.52 1a63 s ASP 95 Ca 0.00 2.26 -0.20 0.00 0.18 0.00 0.00 52.55 54.79 1a63 s ASP 95 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1a63 s ASP 95 CO 0.00 -0.91 0.60 -0.89 1.18 0.00 0.00 175.17 175.15 1a63 s THR 96 N -1.59 5.02 0.20 -1.27 2.01 -1.26 -0.87 115.64 117.87 1a63 s THR 96 Ca 0.64 1.09 -0.07 0.00 0.31 0.00 0.00 61.69 63.67 1a63 s THR 96 Cb -0.27 -3.91 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1a63 s THR 96 CO 0.33 0.07 0.28 -0.63 -0.69 0.00 0.00 174.62 173.97 1a63 s ILE 97 N 2.26 0.02 -0.12 1.82 1.01 -0.27 -0.70 121.20 125.22 1a63 s ILE 97 Ca 0.26 -1.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.16 1a63 s ILE 97 Cb -0.16 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.14 1a63 s ILE 97 CO 0.09 -0.11 0.31 -0.94 0.00 0.00 0.00 174.94 174.29 1a63 s SER 98 N -3.06 -0.33 0.31 3.58 1.04 -0.93 -1.22 113.70 113.10 1a63 s SER 98 Ca 0.27 0.63 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1a63 s SER 98 Cb 0.04 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 0.83 -0.83 0.98 0.00 0.00 173.24 174.17 1a63 s GLY 99 N 0.44 0.17 0.39 7.32 0.00 -0.62 -0.52 107.32 114.51 1a63 s GLY 99 Ca -0.02 -0.51 -0.07 0.00 0.00 0.00 0.00 44.72 44.12 1a63 s GLY 99 CO -0.02 0.21 0.70 -1.59 0.00 0.00 0.00 173.10 172.40 1a63 s LYS 100 N -2.72 3.65 0.17 2.90 -2.85 -0.20 -1.14 119.74 119.54 1a63 s LYS 100 Ca 0.15 0.20 0.08 0.00 -1.00 0.00 0.00 55.97 55.40 1a63 s LYS 100 Cb -0.05 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 1a63 s LYS 100 CO 0.09 -0.00 -0.17 0.96 0.10 0.00 0.00 175.35 176.32 1a63 s ILE 101 N -2.39 1.78 0.25 3.79 -4.36 -1.14 -0.67 121.20 118.46 1a63 s ILE 101 Ca 0.47 -1.98 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1a63 s ILE 101 Cb -0.10 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.73 1a63 s ILE 101 CO 0.35 -0.39 0.54 -0.13 0.24 0.00 0.00 174.94 175.56 1a63 s ARG 102 N -2.99 1.58 0.04 0.37 0.52 -0.31 -4.81 118.95 113.35 1a63 s ARG 102 Ca 0.17 -1.13 -0.26 0.00 -0.52 0.00 0.00 55.73 53.99 1a63 s ARG 102 Cb -0.05 0.51 -0.05 0.00 0.52 0.00 0.00 34.95 35.88 1a63 s ARG 102 CO 0.07 -0.68 0.80 -1.25 0.02 0.00 0.00 175.30 174.26 1a63 s PRO 103 N -3.97 4.52 0.00 3.54 0.04 -1.26 -0.99 135.00 136.88 1a63 s PRO 103 Ca 0.18 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1a63 s PRO 103 Cb -0.02 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1a63 s PRO 103 CO 0.07 0.24 0.00 -0.35 0.04 0.00 0.00 177.00 177.00 1a63 n PRO 104 N 2.94 0.00 -3.40 0.56 -0.04 -1.26 -4.95 135.00 128.84 1a63 n PRO 104 Ca -0.01 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.31 1a63 n PRO 104 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 1a63 n PRO 104 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1a63 n LYS 105 N 0.00 0.52 -0.02 0.54 2.85 -1.26 -4.99 118.16 115.81 1a63 n LYS 105 Ca 0.00 -2.05 0.24 0.00 -1.05 0.00 0.00 58.31 55.45 1a63 n LYS 105 Cb 0.00 1.35 0.70 0.00 -0.65 0.00 0.00 35.03 36.43 1a63 n LYS 105 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1a63 h GLU 106 N 0.00 0.00 -1.93 -1.58 4.39 -2.04 0.23 114.58 113.65 1a63 h GLU 106 Ca -0.17 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.26 1a63 h GLU 106 Cb 0.73 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.28 1a63 h GLU 106 CO 0.26 0.00 0.03 0.41 -1.16 0.00 0.00 179.01 178.55 1a63 n GLY 107 N -1.57 3.49 0.00 -3.84 0.00 -1.26 -4.50 105.19 97.51 1a63 n GLY 107 Ca 0.12 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 1.52 0.00 0.00 1.61 0.00 0.79 -4.85 120.64 119.71 1a63 n GLU 108 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.82 1a63 n GLU 108 Cb 0.69 -0.78 0.00 0.00 0.00 0.00 0.00 31.44 31.34 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 -1.97 0.00 -4.12 5.31 3.00 -1.26 -4.72 116.66 112.89 1a63 n ARG 109 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1a63 n ARG 109 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 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 3.03 1.02 -0.14 2.02 -1.26 -5.07 117.35 116.95 1a63 s TYR 110 Ca 0.00 -0.03 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 1a63 s TYR 110 Cb 0.00 -1.51 0.20 0.00 -0.40 0.00 0.00 41.96 40.25 1a63 s TYR 110 CO 0.00 0.51 1.08 -0.06 -1.57 0.00 0.00 175.55 175.50 1a63 s PHE 111 N -1.53 1.94 0.18 2.71 0.40 -1.26 -4.76 117.98 115.65 1a63 s PHE 111 Ca 0.28 1.12 0.10 0.00 -0.60 0.00 0.00 56.93 57.83 1a63 s PHE 111 Cb -0.11 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1a63 s PHE 111 CO 0.20 -3.04 -0.21 0.00 0.70 0.00 0.00 175.22 172.88 1a63 s ALA 112 N -2.82 2.24 0.52 5.36 0.00 -0.16 -1.06 121.76 125.83 1a63 s ALA 112 Ca 0.66 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.85 1a63 s ALA 112 Cb -0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1a63 s ALA 112 CO 0.59 0.31 1.17 -1.17 0.00 0.00 0.00 175.76 176.67 1a63 s LEU 113 N -2.69 3.84 0.10 0.00 2.96 0.31 -1.16 118.68 122.04 1a63 s LEU 113 Ca 0.18 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1a63 s LEU 113 Cb -0.07 -4.44 0.00 0.00 0.50 0.00 0.00 46.19 42.19 1a63 s LEU 113 CO 0.08 -1.19 0.00 -0.11 -1.32 0.00 0.00 176.35 173.81 1a63 n LEU 114 N -1.02 0.28 -4.20 -0.68 7.94 0.16 -4.60 117.00 114.88 1a63 n LEU 114 Ca 0.10 0.16 -0.25 0.00 -1.11 0.00 0.00 56.01 54.91 1a63 n LEU 114 Cb 0.49 -0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.29 1a63 n LEU 114 CO 0.45 -0.51 -0.51 -0.75 -1.11 0.00 0.00 177.39 174.96 1a63 s LYS 115 N -2.00 1.43 -0.12 1.96 2.20 -1.02 -4.93 119.74 117.25 1a63 s LYS 115 Ca 0.00 -0.76 -0.17 0.00 -0.36 0.00 0.00 55.97 54.67 1a63 s LYS 115 Cb 0.00 -1.44 -0.04 0.00 -1.51 0.00 0.00 37.83 34.84 1a63 s LYS 115 CO 0.00 0.38 0.45 0.08 -0.36 0.00 0.00 175.35 175.90 1a63 s VAL 116 N -0.58 5.20 -0.16 4.02 1.01 -1.26 -1.03 120.40 127.59 1a63 s VAL 116 Ca 0.07 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1a63 s VAL 116 Cb -0.08 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1a63 s VAL 116 CO 0.00 0.35 -0.12 0.59 0.00 0.00 0.00 175.10 175.92 1a63 n ASN 117 N 3.58 2.60 -3.97 3.32 3.02 0.32 -4.96 115.26 119.17 1a63 n ASN 117 Ca -0.08 -0.08 -0.08 0.00 -0.03 0.00 0.00 54.58 54.31 1a63 n ASN 117 Cb 0.52 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.33 0.67 -0.26 3.52 2.56 -0.80 -4.87 118.70 117.19 1a63 s GLU 118 Ca -0.20 -0.99 -0.18 0.00 0.00 0.00 0.00 54.97 53.59 1a63 s GLU 118 Cb 0.05 0.26 0.07 0.00 2.00 0.00 0.00 34.13 36.51 1a63 s GLU 118 CO 0.40 -0.17 0.66 0.08 -0.56 0.00 0.00 175.26 175.67 1a63 s VAL 119 N -3.48 -0.00 -1.48 3.70 1.01 -1.20 -2.19 120.40 116.76 1a63 s VAL 119 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1a63 s VAL 119 Cb 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.53 1a63 s VAL 119 CO -0.09 0.00 0.74 -3.20 0.00 0.00 0.00 175.10 172.56 1a63 n ASN 120 N 3.73 -2.55 -3.63 3.32 4.05 0.12 -1.18 115.26 119.12 1a63 n ASN 120 Ca -0.18 -0.89 -0.25 0.00 0.45 0.00 0.00 54.58 53.72 1a63 n ASN 120 Cb 0.57 -3.52 -0.05 0.00 1.23 0.00 0.00 39.78 38.02 1a63 n ASN 120 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1a63 n PHE 121 N -4.46 -1.46 -3.94 1.20 7.35 -1.26 -4.82 117.46 110.06 1a63 n PHE 121 Ca -0.12 0.39 -0.11 0.00 -0.76 0.00 0.00 57.45 56.86 1a63 n PHE 121 Cb 0.60 -1.46 -0.02 0.00 0.35 0.00 0.00 39.48 38.95 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 -2.67 0.25 1.05 -2.13 1.11 -0.33 -5.15 116.67 108.79 1a63 s ASP 122 Ca 0.48 -1.15 -0.12 0.00 0.18 0.00 0.00 52.55 51.94 1a63 s ASP 122 Cb -0.28 0.72 0.22 0.00 1.07 0.00 0.00 42.92 44.65 1a63 s ASP 122 CO 0.59 -1.41 1.07 -0.54 1.18 0.00 0.00 175.17 176.06 1a63 s LYS 123 N -3.09 0.02 0.00 8.23 3.01 -1.26 -3.27 119.74 123.39 1a63 s LYS 123 Ca 0.21 0.91 -0.02 0.00 -1.01 0.00 0.00 55.97 56.06 1a63 s LYS 123 Cb -0.03 -1.66 -0.07 0.00 -1.01 0.00 0.00 37.83 35.06 1a63 s LYS 123 CO 0.13 -3.11 1.79 -0.35 0.51 0.00 0.00 175.35 174.33 1a63 n PRO 124 N -4.49 0.91 0.00 -1.68 -0.04 -1.26 -4.70 135.00 123.73 1a63 n PRO 124 Ca 0.06 -0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1a63 n PRO 124 Cb 0.54 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 2.09 0.00 0.00 0.54 2.13 -1.26 -5.08 120.64 119.06 1a63 n GLU 125 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1a63 n GLU 125 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 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 -0.09 4.31 5.03 -1.26 -5.02 115.26 118.23 1a63 n ASN 126 Ca 0.00 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.49 1a63 n ASN 126 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.82 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 2.00 -3.57 5.41 0.00 -1.26 -5.06 120.51 118.03 1a63 n ALA 127 Ca 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 53.44 51.73 1a63 n ALA 127 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 1a63 n ALA 127 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1a63 s ARG 128 N -1.53 1.51 0.26 0.00 1.70 -1.26 -5.18 118.95 114.45 1a63 s ARG 128 Ca 0.13 -0.77 0.05 0.00 -0.47 0.00 0.00 55.73 54.67 1a63 s ARG 128 Cb 0.12 0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 35.02 1a63 s ARG 128 CO 0.01 -0.67 -0.02 1.21 -1.08 0.00 0.00 175.30 174.75 1a63 s ASN 129 N -2.85 2.32 0.00 -2.89 2.47 -1.26 -5.14 114.94 107.60 1a63 s ASN 129 Ca 0.07 -1.23 0.00 0.00 0.42 0.00 0.00 52.86 52.12 1a63 s ASN 129 Cb -0.03 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 1a63 s ASN 129 CO -0.03 -0.45 0.02 2.29 -3.72 0.00 0.00 177.10 175.22