#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a62 h LEU 3 N 0.00 0.11 -1.08 -4.53 5.85 -1.42 -2.29 115.31 111.95 1a62 h LEU 3 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1a62 h LEU 3 Cb 0.00 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1a62 h LEU 3 CO 0.00 0.10 -0.06 0.71 -0.34 0.00 0.00 178.44 178.85 1a62 h THR 4 N 0.26 1.22 -0.24 1.05 1.35 -1.92 0.38 112.91 115.01 1a62 h THR 4 Ca 0.17 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1a62 h THR 4 Cb 0.16 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1a62 h THR 4 CO -0.19 0.32 0.12 -0.08 -0.25 0.00 0.00 175.52 175.44 1a62 h GLU 5 N 0.54 0.35 -0.78 4.72 4.81 -1.88 -1.68 114.58 120.67 1a62 h GLU 5 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1a62 h GLU 5 Cb 0.44 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1a62 h GLU 5 CO 0.02 0.35 0.38 -0.07 -0.73 0.00 0.00 179.01 178.96 1a62 h LEU 6 N 0.26 1.01 -2.06 1.64 3.38 -1.00 -1.88 115.31 116.67 1a62 h LEU 6 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1a62 h LEU 6 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1a62 h LEU 6 CO -0.01 0.86 -0.02 0.11 0.09 0.00 0.00 178.44 179.47 1a62 h LYS 7 N 1.09 0.00 -0.50 1.13 1.57 -0.56 -0.14 116.57 119.17 1a62 h LYS 7 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1a62 h LYS 7 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1a62 h LYS 7 CO -0.03 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.95 1a62 n ASN 8 N -4.37 2.75 -4.81 0.86 3.02 -0.66 -4.90 115.26 107.15 1a62 n ASN 8 Ca -0.03 -1.98 -0.36 0.00 -0.03 0.00 0.00 54.58 52.17 1a62 n ASN 8 Cb 0.10 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 38.87 1a62 n ASN 8 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1a62 s THR 9 N -1.34 5.44 0.50 3.41 2.01 -0.07 -5.06 115.64 120.53 1a62 s THR 9 Ca 0.35 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.36 1a62 s THR 9 Cb 0.18 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1a62 s THR 9 CO 0.24 0.53 1.25 -2.65 -0.69 0.00 0.00 174.62 173.30 1a62 n PRO 10 N 2.73 1.65 -0.31 4.92 -0.02 -1.26 -4.79 135.00 137.92 1a62 n PRO 10 Ca -0.18 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 61.92 1a62 n PRO 10 Cb 0.53 -2.42 0.15 0.00 -0.02 0.00 0.00 33.50 31.74 1a62 n PRO 10 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a62 h VAL 11 N 1.55 1.04 -0.29 -1.45 2.07 -1.97 -1.73 116.25 115.47 1a62 h VAL 11 Ca -0.49 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1a62 h VAL 11 Cb 1.31 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1a62 h VAL 11 CO 0.57 0.18 0.11 0.77 0.02 0.00 0.00 177.57 179.22 1a62 h SER 12 N 0.98 0.37 0.22 0.57 4.64 -1.99 0.76 113.55 119.10 1a62 h SER 12 Ca 0.38 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.48 1a62 h SER 12 Cb 0.18 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1a62 h SER 12 CO -0.18 0.34 -0.75 -0.33 -0.87 0.00 0.00 176.83 175.05 1a62 h GLU 13 N 0.41 0.45 -0.39 4.77 5.08 -1.71 -2.26 114.58 120.92 1a62 h GLU 13 Ca 0.10 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 1a62 h GLU 13 Cb 0.10 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1a62 h GLU 13 CO -0.01 1.01 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.72 1a62 h LEU 14 N 0.30 0.80 -0.39 1.33 3.38 -0.53 -1.18 115.31 119.03 1a62 h LEU 14 Ca -0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1a62 h LEU 14 Cb 1.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1a62 h LEU 14 CO 0.13 0.99 0.24 0.40 0.09 0.00 0.00 178.44 180.29 1a62 h ILE 15 N 0.68 1.12 0.15 1.22 2.04 -0.70 0.09 117.51 122.11 1a62 h ILE 15 Ca 0.09 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1a62 h ILE 15 Cb 0.73 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1a62 h ILE 15 CO 0.06 0.12 -0.07 0.74 0.00 0.00 0.00 178.15 179.00 1a62 h THR 16 N 0.51 0.85 -0.88 -0.27 2.02 -1.14 -0.24 112.91 113.77 1a62 h THR 16 Ca 0.14 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.41 1a62 h THR 16 Cb -0.01 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1a62 h THR 16 CO -0.03 0.00 0.53 0.25 0.37 0.00 0.00 175.52 176.64 1a62 h LEU 17 N -0.20 0.79 -0.34 2.58 5.85 -0.99 -1.21 115.31 121.79 1a62 h LEU 17 Ca -0.02 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1a62 h LEU 17 Cb 0.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1a62 h LEU 17 CO 0.03 0.47 -0.21 1.23 -0.34 0.00 0.00 178.44 179.61 1a62 h GLY 18 N 0.91 0.81 1.00 3.75 0.00 -0.64 -3.11 103.07 105.79 1a62 h GLY 18 Ca 0.41 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1a62 h GLY 18 CO -0.22 0.69 0.44 0.83 0.00 0.00 0.00 176.54 178.27 1a62 h GLU 19 N 0.52 0.90 -2.07 4.80 5.08 -0.54 -2.32 114.58 120.95 1a62 h GLU 19 Ca 0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a62 h GLU 19 Cb 0.77 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1a62 h GLU 19 CO 0.06 0.61 0.03 0.09 -1.00 0.00 0.00 179.01 178.79 1a62 n ASN 20 N -4.60 1.04 -0.15 1.42 3.02 -0.50 -4.01 115.26 111.47 1a62 n ASN 20 Ca 0.06 -1.31 0.09 0.00 -0.03 0.00 0.00 54.58 53.39 1a62 n ASN 20 Cb 0.03 -0.22 0.14 0.00 -0.61 0.00 0.00 39.78 39.11 1a62 n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a62 n GLY 22 N 1.99 4.64 3.85 7.41 0.00 -1.17 -5.10 105.19 116.81 1a62 n GLY 22 Ca 0.01 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 1a62 n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a62 s LEU 23 N -2.71 3.96 0.34 0.99 1.43 -0.88 -5.13 118.68 116.68 1a62 s LEU 23 Ca 0.30 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 1a62 s LEU 23 Cb 0.26 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1a62 s LEU 23 CO 0.03 0.03 0.19 -1.61 0.23 0.00 0.00 176.35 175.23 1a62 s GLU 24 N -3.37 1.74 -1.42 1.70 2.02 -1.26 -4.12 118.70 113.99 1a62 s GLU 24 Ca 0.32 -2.02 -0.13 0.00 0.02 0.00 0.00 54.97 53.16 1a62 s GLU 24 Cb -0.10 -0.08 0.11 0.00 0.10 0.00 0.00 34.13 34.16 1a62 s GLU 24 CO 0.25 -0.53 0.61 0.09 0.02 0.00 0.00 175.26 175.70 1a62 n ASN 25 N -1.25 -3.50 0.04 -0.19 5.03 -1.26 -4.86 115.26 109.28 1a62 n ASN 25 Ca 0.01 -0.62 -0.20 0.00 0.87 0.00 0.00 54.58 54.64 1a62 n ASN 25 Cb 0.64 -2.88 -0.10 0.00 -1.02 0.00 0.00 39.78 36.42 1a62 n ASN 25 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1a62 h LEU 26 N -1.18 0.89 -1.34 3.41 3.38 -1.95 -3.30 115.31 115.22 1a62 h LEU 26 Ca -0.48 -0.71 0.29 0.00 0.09 0.00 0.00 57.88 57.06 1a62 h LEU 26 Cb 1.32 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 1a62 h LEU 26 CO 0.62 1.51 0.68 0.00 0.09 0.00 0.00 178.44 181.35 1a62 h ALA 27 N 0.43 2.26 0.00 1.53 0.00 -1.97 -3.44 119.26 118.07 1a62 h ALA 27 Ca -0.12 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1a62 h ALA 27 Cb 1.68 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1a62 h ALA 27 CO 0.20 -0.70 -0.20 2.89 0.00 0.00 0.00 179.25 181.44 1a62 n ARG 28 N -4.66 1.50 -4.07 0.00 1.85 -1.25 -5.06 116.66 104.97 1a62 n ARG 28 Ca 0.27 -0.55 -0.28 0.00 -1.00 0.00 0.00 57.85 56.29 1a62 n ARG 28 Cb 0.94 -1.57 -0.06 0.00 -1.05 0.00 0.00 32.46 30.71 1a62 n ARG 28 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1a62 s ARG 30 N 0.68 2.92 0.23 2.89 0.52 -1.26 -5.16 118.95 119.77 1a62 s ARG 30 Ca 0.37 -0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1a62 s ARG 30 Cb 0.18 -2.68 0.40 0.00 0.52 0.00 0.00 34.95 33.36 1a62 s ARG 30 CO 0.00 0.51 1.72 -0.22 0.02 0.00 0.00 175.30 177.33 1a62 h LYS 31 N 2.67 0.36 -0.18 3.54 3.64 -1.97 0.05 116.57 124.67 1a62 h LYS 31 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1a62 h LYS 31 Cb 1.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1a62 h LYS 31 CO 0.64 0.24 0.09 -0.56 -2.27 0.00 0.00 179.45 177.59 1a62 h GLN 32 N 0.37 0.25 0.00 1.90 3.07 -2.01 -0.48 115.11 118.21 1a62 h GLN 32 Ca 0.38 -0.02 -0.19 0.00 0.09 0.00 0.00 58.65 58.91 1a62 h GLN 32 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1a62 h GLN 32 CO -0.41 0.20 -0.87 -0.44 0.09 0.00 0.00 178.83 177.39 1a62 h ASP 33 N 0.25 0.23 -0.17 0.06 3.32 -1.47 -1.97 116.42 116.68 1a62 h ASP 33 Ca 0.07 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1a62 h ASP 33 Cb 0.03 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1a62 h ASP 33 CO -0.01 0.99 -0.01 0.40 -1.72 0.00 0.00 179.24 178.89 1a62 h ILE 34 N 0.10 1.26 -0.72 0.35 2.04 -0.38 -1.91 117.51 118.25 1a62 h ILE 34 Ca -0.04 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.94 1a62 h ILE 34 Cb 1.50 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.05 1a62 h ILE 34 CO 0.13 0.26 0.48 0.40 0.00 0.00 0.00 178.15 179.42 1a62 h ILE 35 N 0.05 1.19 -0.29 -0.67 2.04 -1.09 -1.12 117.51 117.61 1a62 h ILE 35 Ca 0.05 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1a62 h ILE 35 Cb 0.40 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1a62 h ILE 35 CO 0.01 0.18 0.15 -0.26 0.00 0.00 0.00 178.15 178.23 1a62 h PHE 36 N 0.98 0.28 -0.51 1.37 -1.00 -1.25 -1.57 116.94 115.24 1a62 h PHE 36 Ca 0.26 0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.08 1a62 h PHE 36 Cb -0.11 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 1a62 h PHE 36 CO -0.02 0.16 0.31 0.00 -1.61 0.00 0.00 178.31 177.14 1a62 h ALA 37 N 1.14 0.66 -0.11 2.45 0.00 -0.81 -0.80 119.26 121.79 1a62 h ALA 37 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1a62 h ALA 37 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1a62 h ALA 37 CO -0.07 0.01 0.03 0.82 0.00 0.00 0.00 179.25 180.04 1a62 h ILE 38 N 0.61 1.18 -0.86 0.00 2.04 -0.97 -1.10 117.51 118.41 1a62 h ILE 38 Ca 0.21 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1a62 h ILE 38 Cb 0.02 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1a62 h ILE 38 CO -0.09 0.16 0.43 -0.07 0.00 0.00 0.00 178.15 178.58 1a62 h LEU 39 N -0.02 1.11 -0.42 1.44 3.38 -1.16 -0.31 115.31 119.33 1a62 h LEU 39 Ca 0.03 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1a62 h LEU 39 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1a62 h LEU 39 CO -0.00 0.92 0.15 0.50 0.09 0.00 0.00 178.44 180.10 1a62 h LYS 40 N 1.22 0.64 -0.47 1.13 3.64 -1.04 -0.82 116.57 120.86 1a62 h LYS 40 Ca 0.30 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1a62 h LYS 40 Cb 0.09 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1a62 h LYS 40 CO -0.04 0.62 0.18 0.37 -2.27 0.00 0.00 179.45 178.31 1a62 h GLN 41 N 0.54 0.72 -0.20 1.90 5.75 -0.82 -1.11 115.11 121.88 1a62 h GLN 41 Ca 0.14 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1a62 h GLN 41 Cb 0.23 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1a62 h GLN 41 CO -0.01 0.65 0.10 1.25 -2.65 0.00 0.00 178.83 178.18 1a62 h HIS 42 N 0.63 0.29 -0.77 3.99 2.76 -0.91 -2.42 115.15 118.71 1a62 h HIS 42 Ca 0.16 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1a62 h HIS 42 Cb 0.21 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1a62 h HIS 42 CO 0.01 0.28 0.41 0.00 -1.30 0.00 0.00 177.93 177.33 1a62 h ALA 43 N 0.98 1.27 0.00 5.26 0.00 -1.03 -0.81 119.26 124.93 1a62 h ALA 43 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1a62 h ALA 43 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1a62 h ALA 43 CO -0.01 0.59 -0.05 0.87 0.00 0.00 0.00 179.25 180.64 1a62 h LYS 44 N 1.08 0.00 -0.02 0.00 6.56 -0.87 0.38 116.57 123.70 1a62 h LYS 44 Ca 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1a62 h LYS 44 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 1a62 h LYS 44 CO -0.04 0.05 0.00 0.43 -2.06 0.00 0.00 179.45 177.83 1a62 n SER 45 N -3.65 0.43 0.00 0.86 7.64 -0.32 -4.88 113.62 113.70 1a62 n SER 45 Ca -0.02 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1a62 n SER 45 Cb 0.16 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1a62 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a62 n GLY 46 N 0.96 0.68 3.87 0.23 0.00 0.12 -5.05 105.19 106.00 1a62 n GLY 46 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1a62 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a62 s GLU 47 N -0.33 3.77 0.46 1.61 0.41 -1.13 -5.03 118.70 118.46 1a62 s GLU 47 Ca 0.00 0.19 -0.22 0.00 -0.41 0.00 0.00 54.97 54.53 1a62 s GLU 47 Cb 0.00 -2.90 -0.08 0.00 -1.78 0.00 0.00 34.13 29.37 1a62 s GLU 47 CO 0.00 0.49 1.10 -0.51 -0.49 0.00 0.00 175.26 175.85 1a62 s ASP 48 N -1.98 6.32 0.00 -0.19 1.01 -1.26 -4.09 116.67 116.48 1a62 s ASP 48 Ca 0.38 2.13 0.03 0.00 0.71 0.00 0.00 52.55 55.80 1a62 s ASP 48 Cb -0.13 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.20 1a62 s ASP 48 CO 0.20 -0.80 -0.11 0.27 0.21 0.00 0.00 175.17 174.94 1a62 s ILE 49 N -1.69 0.86 0.34 0.77 -4.36 -1.26 -4.93 121.20 110.92 1a62 s ILE 49 Ca 0.64 -0.57 0.10 0.00 -0.26 0.00 0.00 60.65 60.56 1a62 s ILE 49 Cb -0.24 -0.74 -0.06 0.00 1.25 0.00 0.00 42.46 42.67 1a62 s ILE 49 CO 0.29 0.17 -0.10 -0.36 0.24 0.00 0.00 174.94 175.17 1a62 s PHE 50 N -0.40 2.41 0.25 1.37 0.40 -1.26 -0.86 117.98 119.89 1a62 s PHE 50 Ca 0.03 -0.48 -0.17 0.00 -0.60 0.00 0.00 56.93 55.71 1a62 s PHE 50 Cb -0.05 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.14 1a62 s PHE 50 CO -0.00 0.59 0.58 0.20 0.70 0.00 0.00 175.22 177.29 1a62 s GLY 51 N -3.61 0.14 0.23 4.36 0.00 -0.46 -0.93 107.32 107.05 1a62 s GLY 51 Ca 0.32 -0.49 -0.21 0.00 0.00 0.00 0.00 44.72 44.34 1a62 s GLY 51 CO 0.17 -0.33 0.64 0.51 0.00 0.00 0.00 173.10 174.09 1a62 s ASP 52 N -2.94 -0.35 0.00 1.64 -4.77 -1.26 -1.74 116.67 107.24 1a62 s ASP 52 Ca 0.15 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 48.99 1a62 s ASP 52 Cb -0.03 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 1a62 s ASP 52 CO 0.05 -1.18 0.00 0.61 0.70 0.00 0.00 175.17 175.36 1a62 n GLY 53 N -0.41 -0.98 3.69 2.12 0.00 -0.09 -4.76 105.19 104.75 1a62 n GLY 53 Ca -0.09 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1a62 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a62 s VAL 54 N -2.00 5.26 0.19 1.61 1.01 0.92 -0.77 120.40 126.62 1a62 s VAL 54 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1a62 s VAL 54 Cb 0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 1a62 s VAL 54 CO 0.00 0.32 0.90 -0.22 0.00 0.00 0.00 175.10 176.09 1a62 s LEU 55 N 0.94 4.60 -0.12 3.92 2.96 0.72 -0.82 118.68 130.87 1a62 s LEU 55 Ca 0.17 1.82 -0.02 0.00 -0.22 0.00 0.00 54.13 55.89 1a62 s LEU 55 Cb -0.14 -3.51 0.04 0.00 0.50 0.00 0.00 46.19 43.08 1a62 s LEU 55 CO 0.06 0.12 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.51 1a62 s GLU 56 N -0.88 0.80 -0.17 1.98 2.12 -0.74 0.14 118.70 121.95 1a62 s GLU 56 Ca 0.41 -0.15 -0.22 0.00 0.36 0.00 0.00 54.97 55.37 1a62 s GLU 56 Cb -0.25 -1.48 -0.03 0.00 0.26 0.00 0.00 34.13 32.64 1a62 s GLU 56 CO 0.30 -0.41 0.66 0.42 -0.54 0.00 0.00 175.26 175.68 1a62 s ILE 57 N 1.88 5.02 0.80 -3.70 1.01 -1.26 -2.30 121.20 122.64 1a62 s ILE 57 Ca 0.03 1.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.90 1a62 s ILE 57 Cb -0.14 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.52 1a62 s ILE 57 CO -0.07 0.13 1.10 -0.76 0.00 0.00 0.00 174.94 175.34 1a62 s LEU 58 N 1.71 2.89 0.15 2.97 1.43 -0.05 -4.96 118.68 122.82 1a62 s LEU 58 Ca 0.31 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 1a62 s LEU 58 Cb -0.16 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1a62 s LEU 58 CO 0.12 -2.19 1.62 1.56 0.23 0.00 0.00 176.35 177.69 1a62 h GLN 59 N -0.85 -0.26 0.00 1.70 4.20 -1.97 -1.84 115.11 116.09 1a62 h GLN 59 Ca -0.36 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.36 1a62 h GLN 59 Cb 1.25 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1a62 h GLN 59 CO 0.36 -0.17 0.08 -0.25 -0.67 0.00 0.00 178.83 178.17 1a62 n ASP 60 N -5.38 0.27 0.00 1.46 9.92 -1.26 -4.81 116.55 116.74 1a62 n ASP 60 Ca -0.01 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1a62 n ASP 60 Cb 0.30 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1a62 n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a62 n GLY 61 N -1.36 0.89 4.00 0.44 0.00 -0.69 -5.06 105.19 103.42 1a62 n GLY 61 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1a62 n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a62 s PHE 62 N -2.16 2.83 0.17 1.61 -0.12 -1.26 -4.28 117.98 114.77 1a62 s PHE 62 Ca 0.00 -0.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.52 1a62 s PHE 62 Cb 0.00 -2.34 -0.01 0.00 -0.63 0.00 0.00 43.02 40.04 1a62 s PHE 62 CO 0.00 -0.38 0.11 0.41 -0.05 0.00 0.00 175.22 175.31 1a62 n GLY 63 N -1.82 3.58 3.11 1.99 0.00 0.25 -0.87 105.19 111.42 1a62 n GLY 63 Ca 0.07 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1a62 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a62 s PHE 64 N -2.48 -0.06 -0.24 1.61 0.08 -0.97 -0.70 117.98 115.21 1a62 s PHE 64 Ca 0.15 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.21 1a62 s PHE 64 Cb 0.01 0.00 -0.05 0.00 -0.57 0.00 0.00 43.02 42.41 1a62 s PHE 64 CO 0.11 -0.23 0.18 -0.51 -0.10 0.00 0.00 175.22 174.66 1a62 s LEU 65 N -0.87 4.12 0.19 -0.37 1.43 0.77 -1.79 118.68 122.16 1a62 s LEU 65 Ca -0.10 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.26 1a62 s LEU 65 Cb -0.05 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1a62 s LEU 65 CO 0.01 0.06 -0.20 -0.13 0.23 0.00 0.00 176.35 176.32 1a62 s ARG 66 N 1.06 1.65 0.47 1.70 0.52 -0.00 -2.06 118.95 122.29 1a62 s ARG 66 Ca 0.08 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 1a62 s ARG 66 Cb -0.14 -1.92 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 1a62 s ARG 66 CO 0.05 0.41 1.21 0.43 0.02 0.00 0.00 175.30 177.41 1a62 n SER 67 N 0.19 2.16 0.06 0.23 7.64 -1.26 -0.05 113.62 122.58 1a62 n SER 67 Ca -0.12 1.04 0.03 0.00 1.01 0.00 0.00 58.87 60.83 1a62 n SER 67 Cb 0.56 -1.48 0.41 0.00 -1.01 0.00 0.00 64.21 62.69 1a62 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a62 h ALA 68 N 1.69 1.61 0.00 -0.43 0.00 -1.95 -1.08 119.26 119.10 1a62 h ALA 68 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1a62 h ALA 68 Cb 1.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1a62 h ALA 68 CO 0.58 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.73 1a62 n ASP 69 N -4.39 0.00 0.09 0.00 5.68 -1.26 -3.32 116.55 113.35 1a62 n ASP 69 Ca 0.01 0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.61 1a62 n ASP 69 Cb 0.16 -0.39 0.46 0.00 -1.14 0.00 0.00 41.12 40.20 1a62 n ASP 69 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1a62 n SER 70 N -1.39 0.57 -2.01 -1.12 3.41 -0.41 -4.89 113.62 107.78 1a62 n SER 70 Ca 0.10 0.58 -0.16 0.00 -0.26 0.00 0.00 58.87 59.13 1a62 n SER 70 Cb 0.27 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1a62 n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a62 n SER 71 N -2.06 -4.50 0.00 4.04 7.64 -1.21 -1.16 113.62 116.37 1a62 n SER 71 Ca 0.05 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1a62 n SER 71 Cb 0.34 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1a62 n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1a62 n TYR 72 N -2.96 0.00 -2.79 1.43 4.01 -1.26 -5.05 117.16 110.54 1a62 n TYR 72 Ca -0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 1a62 n TYR 72 Cb 0.59 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.27 1a62 n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1a62 s LEU 73 N 0.00 4.48 0.46 7.72 2.96 -0.31 -5.02 118.68 128.98 1a62 s LEU 73 Ca 0.00 1.71 -0.23 0.00 -0.22 0.00 0.00 54.13 55.39 1a62 s LEU 73 Cb 0.00 -3.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.11 1a62 s LEU 73 CO 0.00 -0.05 1.15 0.00 -1.32 0.00 0.00 176.35 176.13 1a62 s ALA 74 N 0.01 2.96 0.15 5.97 0.00 -1.26 -4.88 121.76 124.71 1a62 s ALA 74 Ca 0.45 0.91 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1a62 s ALA 74 Cb -0.23 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1a62 s ALA 74 CO 0.28 -0.63 0.36 0.20 0.00 0.00 0.00 175.76 175.98 1a62 s GLY 75 N -1.41 0.08 0.46 0.00 0.00 -1.26 -5.06 107.32 100.13 1a62 s GLY 75 Ca 0.64 -0.46 0.14 0.00 0.00 0.00 0.00 44.72 45.03 1a62 s GLY 75 CO 0.33 -0.55 2.03 -0.56 0.00 0.00 0.00 173.10 174.36 1a62 h PRO 76 N 2.44 0.08 -0.57 2.90 0.13 -1.99 -2.03 132.00 132.95 1a62 h PRO 76 Ca -0.32 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1a62 h PRO 76 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1a62 h PRO 76 CO 0.46 0.17 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1a62 n ASP 77 N -4.39 2.76 -4.78 1.44 5.68 -1.26 -4.77 116.55 111.24 1a62 n ASP 77 Ca -0.02 -2.23 -0.41 0.00 -0.50 0.00 0.00 54.79 51.63 1a62 n ASP 77 Cb 0.19 -0.42 -0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1a62 n ASP 77 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1a62 s ASP 78 N -0.73 6.35 -0.25 -1.12 1.11 -0.77 -4.89 116.67 116.38 1a62 s ASP 78 Ca 0.27 2.97 -0.13 0.00 0.18 0.00 0.00 52.55 55.84 1a62 s ASP 78 Cb 0.18 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 1a62 s ASP 78 CO 0.13 -0.86 0.30 -0.63 1.18 0.00 0.00 175.17 175.30 1a62 s ILE 79 N -1.14 5.24 0.18 0.77 1.01 -0.87 -4.10 121.20 122.30 1a62 s ILE 79 Ca 0.53 0.44 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1a62 s ILE 79 Cb -0.45 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 1a62 s ILE 79 CO 0.61 0.23 1.26 -0.47 0.00 0.00 0.00 174.94 176.57 1a62 s TYR 80 N 1.65 3.34 -0.13 3.97 5.04 -0.42 -0.16 117.35 130.63 1a62 s TYR 80 Ca 0.13 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 56.07 1a62 s TYR 80 Cb -0.15 -3.52 0.02 0.00 0.35 0.00 0.00 41.96 38.65 1a62 s TYR 80 CO 0.09 -1.59 -0.17 0.08 -1.34 0.00 0.00 175.55 172.62 1a62 s VAL 81 N 0.15 1.68 0.61 3.14 1.01 0.12 -1.29 120.40 125.81 1a62 s VAL 81 Ca 0.56 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1a62 s VAL 81 Cb -0.34 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1a62 s VAL 81 CO 0.37 0.48 1.04 -0.94 0.00 0.00 0.00 175.10 176.04 1a62 s SER 82 N 1.13 5.89 0.45 3.32 1.04 -1.26 -0.58 113.70 123.68 1a62 s SER 82 Ca -0.02 1.65 0.10 0.00 0.48 0.00 0.00 55.95 58.16 1a62 s SER 82 Cb -0.14 -2.51 0.99 0.00 0.10 0.00 0.00 66.02 64.46 1a62 s SER 82 CO -0.05 -1.09 2.08 -0.65 0.98 0.00 0.00 173.24 174.51 1a62 h PRO 83 N 0.08 0.34 -0.24 4.02 0.11 -1.94 -1.82 132.00 132.54 1a62 h PRO 83 Ca -0.45 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1a62 h PRO 83 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1a62 h PRO 83 CO 0.59 0.24 -0.40 0.66 -0.21 0.00 0.00 178.00 178.87 1a62 h SER 84 N 0.35 0.58 -0.04 -2.05 4.64 -1.92 -1.52 113.55 113.58 1a62 h SER 84 Ca 0.09 -0.26 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1a62 h SER 84 Cb -0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1a62 h SER 84 CO -0.02 0.92 -0.51 1.56 -0.87 0.00 0.00 176.83 177.91 1a62 h GLN 85 N 0.45 0.61 -0.48 4.77 4.20 -1.76 0.53 115.11 123.44 1a62 h GLN 85 Ca 0.04 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 1a62 h GLN 85 Cb 0.89 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 1a62 h GLN 85 CO 0.08 0.98 0.12 0.82 -0.67 0.00 0.00 178.83 180.15 1a62 h ILE 86 N 0.48 1.24 -0.25 2.54 2.04 -1.20 -2.47 117.51 119.89 1a62 h ILE 86 Ca 0.02 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 1a62 h ILE 86 Cb 1.06 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1a62 h ILE 86 CO 0.10 0.30 -0.32 0.03 0.00 0.00 0.00 178.15 178.26 1a62 h ARG 87 N 0.65 0.66 -0.86 2.37 3.08 -1.18 0.49 114.38 119.58 1a62 h ARG 87 Ca 0.15 -0.37 0.13 0.00 0.07 0.00 0.00 59.98 59.95 1a62 h ARG 87 Cb 0.33 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 1a62 h ARG 87 CO 0.00 0.99 0.47 -0.09 -1.07 0.00 0.00 179.97 180.27 1a62 h ARG 88 N 0.37 0.69 -0.19 0.04 9.65 -0.77 -2.48 114.38 121.69 1a62 h ARG 88 Ca 0.03 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1a62 h ARG 88 Cb 0.90 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1a62 h ARG 88 CO 0.08 0.46 0.00 1.19 2.80 0.00 0.00 179.97 184.50 1a62 n PHE 89 N -4.80 0.62 -4.05 2.20 3.72 -0.94 -4.98 117.46 109.23 1a62 n PHE 89 Ca 0.16 -0.85 -0.38 0.00 -0.05 0.00 0.00 57.45 56.33 1a62 n PHE 89 Cb 0.38 -0.23 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1a62 n PHE 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1a62 n ASN 90 N -0.63 -2.78 -4.79 4.37 4.05 0.67 -4.87 115.26 111.28 1a62 n ASN 90 Ca 0.18 -1.21 -0.35 0.00 0.45 0.00 0.00 54.58 53.65 1a62 n ASN 90 Cb 0.76 -2.12 -0.02 0.00 1.23 0.00 0.00 39.78 39.62 1a62 n ASN 90 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1a62 s LEU 91 N -7.22 3.83 0.04 1.20 1.43 0.14 -5.01 118.68 113.09 1a62 s LEU 91 Ca 0.33 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 1a62 s LEU 91 Cb -0.16 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 1a62 s LEU 91 CO 0.95 -0.92 -0.15 -0.60 0.23 0.00 0.00 176.35 175.86 1a62 s ARG 92 N -3.20 0.99 0.35 1.70 3.52 -1.26 -4.92 118.95 116.13 1a62 s ARG 92 Ca 0.69 -0.80 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1a62 s ARG 92 Cb -0.20 -1.02 -0.11 0.00 -1.56 0.00 0.00 34.95 32.06 1a62 s ARG 92 CO 0.23 0.25 1.49 2.41 -0.81 0.00 0.00 175.30 178.87 1a62 n THR 93 N 1.84 1.70 0.00 4.11 -1.04 -1.26 -0.95 114.28 118.68 1a62 n THR 93 Ca -0.18 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1a62 n THR 93 Cb 0.54 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.15 1a62 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a62 n GLY 94 N 1.02 0.67 3.78 3.41 0.00 0.12 -4.99 105.19 109.19 1a62 n GLY 94 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1a62 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a62 s ASP 95 N -2.19 6.69 -0.20 1.61 1.01 -0.12 -4.76 116.67 118.71 1a62 s ASP 95 Ca 0.00 2.14 -0.12 0.00 0.71 0.00 0.00 52.55 55.28 1a62 s ASP 95 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1a62 s ASP 95 CO 0.00 -0.54 0.22 -0.89 0.21 0.00 0.00 175.17 174.17 1a62 s THR 96 N -1.56 5.34 0.05 -1.27 2.01 -1.26 -0.20 115.64 118.75 1a62 s THR 96 Ca 0.57 0.36 0.07 0.00 0.31 0.00 0.00 61.69 63.00 1a62 s THR 96 Cb -0.25 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 1a62 s THR 96 CO 0.31 0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.79 1a62 s ILE 97 N 0.71 1.59 -0.01 1.82 -1.09 0.05 -0.33 121.20 123.95 1a62 s ILE 97 Ca 0.12 -1.20 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 1a62 s ILE 97 Cb -0.13 -1.39 0.00 0.00 -1.58 0.00 0.00 42.46 39.36 1a62 s ILE 97 CO 0.03 0.15 0.12 -0.94 -1.23 0.00 0.00 174.94 173.07 1a62 s SER 98 N -1.23 0.02 0.00 3.58 1.04 -0.96 -0.92 113.70 115.23 1a62 s SER 98 Ca 0.06 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1a62 s SER 98 Cb -0.09 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1a62 s SER 98 CO 0.02 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1a62 n GLY 99 N 1.77 -1.17 3.76 7.32 0.00 -0.71 -0.64 105.19 115.52 1a62 n GLY 99 Ca -0.21 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1a62 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a62 s LYS 100 N -1.02 4.76 0.28 1.61 1.02 -0.43 -1.36 119.74 124.60 1a62 s LYS 100 Ca 0.00 1.41 0.06 0.00 0.02 0.00 0.00 55.97 57.46 1a62 s LYS 100 Cb 0.00 -3.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1a62 s LYS 100 CO 0.00 0.47 -0.04 0.96 -0.92 0.00 0.00 175.35 175.82 1a62 s ILE 101 N -1.28 1.50 0.07 2.17 -4.36 -0.04 0.10 121.20 119.37 1a62 s ILE 101 Ca 0.43 -2.09 0.05 0.00 -0.26 0.00 0.00 60.65 58.77 1a62 s ILE 101 Cb -0.24 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 1a62 s ILE 101 CO 0.29 -0.27 -0.14 0.00 0.24 0.00 0.00 174.94 175.06 1a62 s ARG 102 N -3.77 0.82 0.57 0.37 1.70 0.09 -4.41 118.95 114.32 1a62 s ARG 102 Ca 0.30 -0.96 -0.17 0.00 -0.47 0.00 0.00 55.73 54.43 1a62 s ARG 102 Cb 0.05 -0.82 -0.05 0.00 -0.57 0.00 0.00 34.95 33.56 1a62 s ARG 102 CO 0.12 0.18 1.05 -1.25 -1.08 0.00 0.00 175.30 174.32 1a62 s PRO 103 N -1.76 3.43 0.52 3.89 0.04 -1.26 -1.63 135.00 138.23 1a62 s PRO 103 Ca -0.02 1.24 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1a62 s PRO 103 Cb -0.10 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1a62 s PRO 103 CO 0.02 -0.72 1.27 -1.25 0.04 0.00 0.00 177.00 176.36 1a62 s PRO 104 N -3.88 3.32 0.68 0.56 0.04 -1.24 -4.81 135.00 129.67 1a62 s PRO 104 Ca 0.64 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.66 1a62 s PRO 104 Cb -0.16 -2.26 0.14 0.00 0.04 0.00 0.00 34.50 32.26 1a62 s PRO 104 CO 0.33 -0.98 0.93 1.63 0.04 0.00 0.00 177.00 178.95 1a62 n LYS 105 N -0.92 -0.32 -1.64 4.56 5.02 -1.26 -4.86 118.16 118.73 1a62 n LYS 105 Ca 0.10 -2.15 -0.42 0.00 -2.02 0.00 0.00 58.31 53.81 1a62 n LYS 105 Cb 0.47 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.71 1a62 n LYS 105 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a62 n GLU 106 N -2.81 2.60 0.00 1.97 -0.58 -1.26 -0.01 120.64 120.55 1a62 n GLU 106 Ca 0.14 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 1a62 n GLU 106 Cb 0.50 -3.08 0.00 0.00 -0.57 0.00 0.00 31.44 28.29 1a62 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a62 n GLY 107 N 4.92 3.40 3.80 0.62 0.00 -1.26 -5.05 105.19 111.61 1a62 n GLY 107 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1a62 n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a62 s GLU 108 N -0.87 3.30 -0.11 1.61 2.02 0.99 -5.01 118.70 120.62 1a62 s GLU 108 Ca 0.00 1.26 0.01 0.00 0.02 0.00 0.00 54.97 56.25 1a62 s GLU 108 Cb 0.00 -2.03 -0.07 0.00 0.10 0.00 0.00 34.13 32.13 1a62 s GLU 108 CO 0.00 -0.83 -0.10 -2.13 0.02 0.00 0.00 175.26 172.22 1a62 n ARG 109 N -1.96 0.28 -4.23 1.61 3.00 -1.26 -4.68 116.66 109.42 1a62 n ARG 109 Ca 0.09 0.06 -0.25 0.00 -0.00 0.00 0.00 57.85 57.76 1a62 n ARG 109 Cb 0.53 -1.22 -0.07 0.00 0.00 0.00 0.00 32.46 31.69 1a62 n ARG 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1a62 s TYR 110 N -2.22 2.81 0.46 -0.14 2.02 -1.26 -4.91 117.35 114.11 1a62 s TYR 110 Ca -0.15 -0.17 -0.22 0.00 -0.37 0.00 0.00 57.07 56.16 1a62 s TYR 110 Cb 0.04 -1.31 -0.08 0.00 -0.40 0.00 0.00 41.96 40.21 1a62 s TYR 110 CO 0.26 0.56 1.08 -0.06 -1.57 0.00 0.00 175.55 175.81 1a62 s PHE 111 N -2.00 3.03 0.08 2.71 0.40 -1.26 -3.73 117.98 117.21 1a62 s PHE 111 Ca 0.29 1.59 0.09 0.00 -0.60 0.00 0.00 56.93 58.30 1a62 s PHE 111 Cb -0.08 -3.17 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 1a62 s PHE 111 CO 0.20 -0.97 -0.23 0.00 0.70 0.00 0.00 175.22 174.91 1a62 s ALA 112 N -1.76 2.01 0.01 5.36 0.00 -0.65 -1.30 121.76 125.43 1a62 s ALA 112 Ca 0.64 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1a62 s ALA 112 Cb -0.21 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1a62 s ALA 112 CO 0.26 0.44 1.44 -1.17 0.00 0.00 0.00 175.76 176.73 1a62 s LEU 113 N -1.63 4.32 -0.23 0.00 2.96 -0.41 -0.74 118.68 122.96 1a62 s LEU 113 Ca 0.09 2.17 -0.10 0.00 -0.22 0.00 0.00 54.13 56.08 1a62 s LEU 113 Cb -0.10 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 1a62 s LEU 113 CO 0.04 -0.74 -0.05 -0.11 -1.32 0.00 0.00 176.35 174.16 1a62 n LEU 114 N 5.42 2.37 -3.75 -0.68 7.94 0.29 -4.87 117.00 123.71 1a62 n LEU 114 Ca 0.14 0.19 -0.14 0.00 -1.11 0.00 0.00 56.01 55.09 1a62 n LEU 114 Cb 0.43 -0.94 -0.15 0.00 0.53 0.00 0.00 43.42 43.29 1a62 n LEU 114 CO 0.59 0.68 -0.26 -0.75 -1.11 0.00 0.00 177.39 176.54 1a62 s LYS 115 N -2.49 0.06 -0.34 1.96 2.20 -0.83 -4.96 119.74 115.34 1a62 s LYS 115 Ca -0.32 0.33 -0.27 0.00 -0.36 0.00 0.00 55.97 55.35 1a62 s LYS 115 Cb 0.10 -0.19 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 1a62 s LYS 115 CO 0.60 -0.17 0.97 0.08 -0.36 0.00 0.00 175.35 176.47 1a62 s VAL 116 N 1.14 4.58 -0.20 4.02 1.01 -1.26 -1.31 120.40 128.38 1a62 s VAL 116 Ca -0.09 1.42 -0.03 0.00 0.00 0.00 0.00 61.98 63.28 1a62 s VAL 116 Cb -0.12 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.72 1a62 s VAL 116 CO -0.05 -0.47 0.03 0.59 0.00 0.00 0.00 175.10 175.19 1a62 n ASN 117 N 6.73 2.04 -3.86 3.32 3.02 0.19 -4.84 115.26 121.87 1a62 n ASN 117 Ca 0.09 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.57 1a62 n ASN 117 Cb 0.48 -0.64 -0.12 0.00 -0.61 0.00 0.00 39.78 38.89 1a62 n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1a62 s GLU 118 N -2.53 0.20 -0.15 3.52 2.02 -0.85 -4.11 118.70 116.80 1a62 s GLU 118 Ca -0.30 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1a62 s GLU 118 Cb 0.08 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.42 1a62 s GLU 118 CO 0.66 -0.03 -0.15 0.08 0.02 0.00 0.00 175.26 175.84 1a62 s VAL 119 N -0.33 1.61 -1.37 2.63 1.01 0.07 -2.27 120.40 121.75 1a62 s VAL 119 Ca -0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1a62 s VAL 119 Cb -0.03 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1a62 s VAL 119 CO 0.00 0.46 0.78 0.59 0.00 0.00 0.00 175.10 176.94 1a62 n ASN 120 N 4.74 -2.21 -0.85 3.32 3.02 0.55 -1.59 115.26 122.23 1a62 n ASN 120 Ca -0.17 -0.81 -0.11 0.00 -0.03 0.00 0.00 54.58 53.46 1a62 n ASN 120 Cb 0.50 -4.02 -0.05 0.00 -0.61 0.00 0.00 39.78 35.61 1a62 n ASN 120 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1a62 n PHE 121 N -4.40 -0.01 -4.43 3.10 3.72 -1.26 -4.96 117.46 109.22 1a62 n PHE 121 Ca -0.20 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 56.98 1a62 n PHE 121 Cb 0.64 -2.77 -0.10 0.00 -0.94 0.00 0.00 39.48 36.30 1a62 n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1a62 s ASP 122 N -2.39 2.73 0.36 4.37 2.15 -0.62 -5.05 116.67 118.21 1a62 s ASP 122 Ca 0.00 -1.21 -0.28 0.00 0.43 0.00 0.00 52.55 51.48 1a62 s ASP 122 Cb 0.00 -0.16 -0.11 0.00 -0.30 0.00 0.00 42.92 42.35 1a62 s ASP 122 CO 0.00 -0.37 1.47 -1.59 -0.17 0.00 0.00 175.17 174.51 1a62 s LYS 123 N -3.75 4.15 0.00 4.34 -2.85 -1.26 -0.75 119.74 119.63 1a62 s LYS 123 Ca 0.30 2.51 0.00 0.00 -1.00 0.00 0.00 55.97 57.79 1a62 s LYS 123 Cb 0.04 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.82 1a62 s LYS 123 CO 0.12 -0.49 0.00 -2.30 0.10 0.00 0.00 175.35 172.78 1a62 n PRO 124 N 0.76 0.00 0.00 1.78 -0.02 -1.26 -4.69 135.00 131.57 1a62 n PRO 124 Ca 0.02 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1a62 n PRO 124 Cb 0.39 -0.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.94 1a62 n PRO 124 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87