#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b66 s ARG 8 N 0.00 0.86 0.43 3.23 0.52 -1.26 -5.13 118.95 117.60 1b66 s ARG 8 Ca 0.00 -0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 54.24 1b66 s ARG 8 Cb 0.00 -0.84 -0.08 0.00 0.52 0.00 0.00 34.95 34.55 1b66 s ARG 8 CO 0.00 0.20 1.20 1.03 0.02 0.00 0.00 175.30 177.75 1b66 s ARG 9 N -1.15 3.87 -0.08 3.54 0.52 -1.26 -4.85 118.95 119.55 1b66 s ARG 9 Ca 0.00 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 1b66 s ARG 9 Cb -0.08 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1b66 s ARG 9 CO 0.01 -0.48 -0.06 1.03 0.02 0.00 0.00 175.30 175.82 1b66 s ARG 10 N -2.48 2.86 0.23 3.54 0.52 -1.26 -0.67 118.95 121.70 1b66 s ARG 10 Ca 0.60 -0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.25 1b66 s ARG 10 Cb -0.31 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1b66 s ARG 10 CO 0.39 0.63 0.26 0.00 0.02 0.00 0.00 175.30 176.60 1b66 s ALA 11 N -0.71 0.85 -0.15 2.13 0.00 -0.61 -4.94 121.76 118.32 1b66 s ALA 11 Ca 0.11 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.54 1b66 s ALA 11 Cb -0.11 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 1b66 s ALA 11 CO 0.02 -0.68 -0.09 1.03 0.00 0.00 0.00 175.76 176.04 1b66 s ARG 12 N -3.98 3.48 -0.19 0.00 0.52 -1.26 -2.48 118.95 115.04 1b66 s ARG 12 Ca 0.34 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1b66 s ARG 12 Cb 0.04 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1b66 s ARG 12 CO 0.13 0.17 -0.12 -1.17 0.02 0.00 0.00 175.30 174.34 1b66 s LEU 13 N 0.50 2.57 0.05 2.53 2.96 0.08 -4.96 118.68 122.41 1b66 s LEU 13 Ca -0.07 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1b66 s LEU 13 Cb -0.15 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1b66 s LEU 13 CO 0.04 0.02 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.47 1b66 s SER 14 N 1.22 3.89 -0.02 3.68 0.01 -1.26 -1.07 113.70 120.16 1b66 s SER 14 Ca 0.02 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.88 1b66 s SER 14 Cb -0.14 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.45 1b66 s SER 14 CO -0.05 0.24 -0.07 -0.60 0.41 0.00 0.00 173.24 173.17 1b66 s ARG 15 N -1.58 0.75 -0.11 12.44 3.52 0.11 -4.95 118.95 129.12 1b66 s ARG 15 Ca 0.16 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.49 1b66 s ARG 15 Cb -0.11 -0.72 -0.04 0.00 -1.56 0.00 0.00 34.95 32.53 1b66 s ARG 15 CO 0.07 0.07 0.05 -1.17 -0.81 0.00 0.00 175.30 173.51 1b66 s LEU 16 N 0.25 3.85 0.08 -0.88 2.96 -1.26 -1.00 118.68 122.68 1b66 s LEU 16 Ca -0.03 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1b66 s LEU 16 Cb -0.08 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1b66 s LEU 16 CO 0.00 0.35 -0.06 0.68 -1.32 0.00 0.00 176.35 176.01 1b66 s VAL 17 N -0.70 0.56 -0.01 1.68 -7.23 -0.29 -5.00 120.40 109.41 1b66 s VAL 17 Ca 0.12 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1b66 s VAL 17 Cb -0.12 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 1b66 s VAL 17 CO 0.02 -0.89 -0.14 -0.44 -0.31 0.00 0.00 175.10 173.35 1b66 s SER 18 N -2.96 1.60 0.06 4.85 0.01 -1.26 -0.55 113.70 115.45 1b66 s SER 18 Ca 0.10 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.14 1b66 s SER 18 Cb 0.05 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 1b66 s SER 18 CO -0.06 0.16 -0.09 0.72 0.41 0.00 0.00 173.24 174.38 1b66 s PHE 19 N -0.28 0.84 -0.18 2.43 -0.12 -0.19 -4.98 117.98 115.50 1b66 s PHE 19 Ca 0.05 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.32 1b66 s PHE 19 Cb -0.06 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 1b66 s PHE 19 CO -0.00 -0.05 0.05 0.45 -0.05 0.00 0.00 175.22 175.61 1b66 s SER 20 N -1.79 5.51 0.12 1.98 0.15 -1.26 -0.07 113.70 118.33 1b66 s SER 20 Ca -0.05 0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.43 1b66 s SER 20 Cb -0.08 -1.93 0.06 0.00 -1.71 0.00 0.00 66.02 62.35 1b66 s SER 20 CO 0.00 0.18 0.55 0.00 1.20 0.00 0.00 173.24 175.17 1b66 s ALA 21 N 0.33 -1.42 0.31 5.45 0.00 -0.82 0.71 121.76 126.32 1b66 s ALA 21 Ca 0.02 0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1b66 s ALA 21 Cb -0.13 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1b66 s ALA 21 CO 0.01 -0.68 -0.07 -1.54 0.00 0.00 0.00 175.76 173.48 1b66 s SER 22 N -2.55 4.01 0.08 0.00 1.04 -0.67 -1.07 113.70 114.55 1b66 s SER 22 Ca -0.00 -0.96 -0.27 0.00 0.48 0.00 0.00 55.95 55.20 1b66 s SER 22 Cb -0.00 -0.50 0.09 0.00 0.10 0.00 0.00 66.02 65.71 1b66 s SER 22 CO -0.10 -0.10 1.12 -1.38 0.98 0.00 0.00 173.24 173.77 1b66 s HIS 23 N -2.49 -0.05 -0.05 5.02 -3.43 -0.00 -0.60 115.29 113.70 1b66 s HIS 23 Ca 0.32 -0.18 0.01 0.00 -0.80 0.00 0.00 55.06 54.42 1b66 s HIS 23 Cb -0.03 0.61 0.02 0.00 -1.43 0.00 0.00 32.58 31.75 1b66 s HIS 23 CO 0.18 -0.59 -0.06 0.50 -2.00 0.00 0.00 174.74 172.77 1b66 s ARG 24 N -2.68 1.01 -0.45 -0.38 3.52 -1.26 -2.07 118.95 116.63 1b66 s ARG 24 Ca 0.16 -0.18 -0.25 0.00 -0.13 0.00 0.00 55.73 55.33 1b66 s ARG 24 Cb 0.01 -0.94 0.03 0.00 -1.56 0.00 0.00 34.95 32.48 1b66 s ARG 24 CO 0.00 -0.04 0.89 -0.51 -0.81 0.00 0.00 175.30 174.82 1b66 s LEU 25 N 0.80 4.07 -0.26 -0.88 1.43 -0.54 -4.66 118.68 118.64 1b66 s LEU 25 Ca -0.12 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 1b66 s LEU 25 Cb -0.14 -3.14 0.08 0.00 0.03 0.00 0.00 46.19 43.01 1b66 s LEU 25 CO 0.01 -0.99 0.65 -2.28 0.23 0.00 0.00 176.35 173.97 1b66 s HIS 26 N 3.60 -0.96 -0.19 0.29 2.46 -1.26 -4.12 115.29 115.10 1b66 s HIS 26 Ca 0.35 1.98 -0.04 0.00 0.47 0.00 0.00 55.06 57.82 1b66 s HIS 26 Cb -0.11 0.54 -0.02 0.00 -0.13 0.00 0.00 32.58 32.87 1b66 s HIS 26 CO 0.25 -0.48 -0.04 0.45 -2.47 0.00 0.00 174.74 172.44 1b66 s SER 27 N 1.46 4.51 0.41 9.88 0.15 -1.26 -4.74 113.70 124.11 1b66 s SER 27 Ca -0.09 -0.28 0.29 0.00 0.70 0.00 0.00 55.95 56.57 1b66 s SER 27 Cb -0.05 -1.76 1.32 0.00 -1.71 0.00 0.00 66.02 63.81 1b66 s SER 27 CO -0.17 0.06 1.87 1.55 1.20 0.00 0.00 173.24 177.76 1b66 h PRO 28 N 7.53 0.00 0.00 5.44 0.13 -1.98 -2.28 132.00 140.84 1b66 h PRO 28 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1b66 h PRO 28 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1b66 h PRO 28 CO 0.60 0.00 -0.52 1.03 -0.23 0.00 0.00 178.00 178.88 1b66 h SER 29 N 0.00 0.00 -2.87 1.44 0.87 -2.02 -3.44 113.55 107.54 1b66 h SER 29 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 1b66 h SER 29 Cb 0.31 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1b66 h SER 29 CO 0.00 0.52 -0.16 -0.76 -0.53 0.00 0.00 176.83 175.90 1b66 s LEU 30 N -7.69 3.97 0.68 2.23 1.02 -0.86 -5.11 118.68 112.92 1b66 s LEU 30 Ca -0.02 0.49 -0.04 0.00 0.02 0.00 0.00 54.13 54.59 1b66 s LEU 30 Cb 0.13 -3.36 0.07 0.00 0.02 0.00 0.00 46.19 43.05 1b66 s LEU 30 CO 0.74 -0.33 0.96 -0.94 0.02 0.00 0.00 176.35 176.80 1b66 s SER 31 N -4.05 4.76 0.28 2.29 1.04 -1.26 -4.84 113.70 111.93 1b66 s SER 31 Ca 0.41 0.17 0.02 0.00 0.48 0.00 0.00 55.95 57.02 1b66 s SER 31 Cb -0.10 -0.80 0.60 0.00 0.10 0.00 0.00 66.02 65.82 1b66 s SER 31 CO 0.37 -1.58 1.81 0.00 0.98 0.00 0.00 173.24 174.82 1b66 h ALA 32 N -0.46 1.52 -0.05 5.32 0.00 -1.98 -0.78 119.26 122.83 1b66 h ALA 32 Ca -0.42 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1b66 h ALA 32 Cb 1.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1b66 h ALA 32 CO 0.53 0.12 -0.91 1.49 0.00 0.00 0.00 179.25 180.47 1b66 h GLU 33 N 0.89 0.65 -0.05 0.00 4.81 -2.00 -2.90 114.58 115.98 1b66 h GLU 33 Ca 0.51 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1b66 h GLU 33 Cb 0.61 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1b66 h GLU 33 CO -0.31 1.23 0.01 0.93 -0.73 0.00 0.00 179.01 180.14 1b66 h GLU 34 N 0.40 0.09 -0.66 1.92 5.08 -1.83 -1.31 114.58 118.26 1b66 h GLU 34 Ca -0.09 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1b66 h GLU 34 Cb 1.55 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 1b66 h GLU 34 CO 0.18 0.30 0.44 -0.91 -1.00 0.00 0.00 179.01 178.02 1b66 h ASN 35 N -0.15 0.40 -0.08 1.42 2.35 -1.23 0.23 115.58 118.52 1b66 h ASN 35 Ca 0.02 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1b66 h ASN 35 Cb 0.26 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1b66 h ASN 35 CO 0.00 0.23 -0.30 0.25 -1.65 0.00 0.00 177.43 175.96 1b66 h LEU 36 N 0.44 0.40 0.32 1.61 5.85 -1.31 -0.14 115.31 122.49 1b66 h LEU 36 Ca 0.31 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1b66 h LEU 36 Cb 0.62 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1b66 h LEU 36 CO -0.09 0.96 -0.23 0.50 -0.34 0.00 0.00 178.44 179.23 1b66 h LYS 37 N -0.13 -0.53 0.44 1.25 3.64 -0.15 0.27 116.57 121.35 1b66 h LYS 37 Ca -0.01 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1b66 h LYS 37 Cb 0.94 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1b66 h LYS 37 CO 0.06 -0.36 -0.21 0.28 -2.27 0.00 0.00 179.45 176.96 1b66 h VAL 38 N -0.55 0.49 0.00 2.00 2.07 -0.69 -3.35 116.25 116.21 1b66 h VAL 38 Ca -0.03 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1b66 h VAL 38 Cb 0.48 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1b66 h VAL 38 CO 0.00 0.07 -0.50 0.49 0.02 0.00 0.00 177.57 177.66 1b66 n PHE 39 N -5.23 0.05 -0.79 1.57 3.72 -0.06 -5.03 117.46 111.69 1b66 n PHE 39 Ca -0.10 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1b66 n PHE 39 Cb 0.29 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1b66 n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b66 n GLY 40 N 1.49 2.37 0.33 1.37 0.00 0.95 -1.64 105.19 110.06 1b66 n GLY 40 Ca 0.05 -0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.07 1b66 n GLY 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b66 h LYS 41 N 0.00 0.00 0.00 1.61 2.10 -1.95 0.48 116.57 118.80 1b66 h LYS 41 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b66 h LYS 41 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1b66 h LYS 41 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1b66 n ASN 43 N -1.45 2.15 -4.68 0.00 2.85 0.16 -1.46 115.26 112.83 1b66 n ASN 43 Ca 0.06 -2.06 -0.54 0.00 -0.11 0.00 0.00 54.58 51.92 1b66 n ASN 43 Cb 0.21 -0.29 -0.06 0.00 1.24 0.00 0.00 39.78 40.87 1b66 n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1b66 n ASN 44 N 0.54 2.52 -0.28 1.20 5.15 -0.92 -4.84 115.26 118.63 1b66 n ASN 44 Ca 0.12 1.06 0.06 0.00 -0.60 0.00 0.00 54.58 55.23 1b66 n ASN 44 Cb 0.37 -1.21 0.17 0.00 -0.53 0.00 0.00 39.78 38.57 1b66 n ASN 44 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1b66 h PRO 45 N 7.11 0.06 -0.18 1.20 0.11 -1.92 -0.11 132.00 138.28 1b66 h PRO 45 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b66 h PRO 45 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1b66 h PRO 45 CO 0.92 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.85 1b66 n ASN 46 N -5.41 1.19 0.00 -2.05 3.02 -1.26 -5.02 115.26 105.73 1b66 n ASN 46 Ca 0.15 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1b66 n ASN 46 Cb 0.51 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1b66 n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b66 n GLY 47 N 0.94 -2.57 2.65 7.41 0.00 -0.06 -5.02 105.19 108.54 1b66 n GLY 47 Ca 0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 1b66 n GLY 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1b66 n HIS 48 N -0.35 -1.39 -3.83 1.61 1.44 -0.88 -4.83 115.22 106.99 1b66 n HIS 48 Ca 0.00 -1.02 -0.10 0.00 -2.01 0.00 0.00 57.72 54.59 1b66 n HIS 48 Cb 0.00 0.50 -0.01 0.00 0.12 0.00 0.00 29.99 30.60 1b66 n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b66 n GLY 49 N -0.46 1.85 3.38 -1.39 0.00 -1.26 -0.82 105.19 106.48 1b66 n GLY 49 Ca -0.03 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 1b66 n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b66 s HIS 50 N -3.42 -0.12 -0.65 1.61 3.76 -0.23 -4.99 115.29 111.26 1b66 s HIS 50 Ca 0.19 -0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1b66 s HIS 50 Cb -0.02 0.26 0.17 0.00 1.11 0.00 0.00 32.58 34.10 1b66 s HIS 50 CO 0.14 -0.76 0.54 -0.80 -0.85 0.00 0.00 174.74 173.01 1b66 s ASN 51 N -2.84 6.06 0.27 1.40 0.01 -1.26 -1.95 114.94 116.63 1b66 s ASN 51 Ca 0.06 -2.39 -0.29 0.00 -0.71 0.00 0.00 52.86 49.53 1b66 s ASN 51 Cb 0.01 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.50 1b66 s ASN 51 CO -0.08 -0.60 1.05 -0.31 -1.51 0.00 0.00 177.10 175.64 1b66 s TYR 52 N 0.64 3.69 -0.07 2.20 1.51 0.89 -4.76 117.35 121.46 1b66 s TYR 52 Ca 0.12 1.76 0.04 0.00 -1.01 0.00 0.00 57.07 57.99 1b66 s TYR 52 Cb -0.20 -3.19 -0.01 0.00 -0.11 0.00 0.00 41.96 38.45 1b66 s TYR 52 CO -0.04 -0.25 -0.20 0.15 -1.11 0.00 0.00 175.55 174.10 1b66 s LYS 53 N -1.40 2.74 -0.08 -0.62 1.02 -0.64 -1.02 119.74 119.75 1b66 s LYS 53 Ca 0.44 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.62 1b66 s LYS 53 Cb -0.30 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1b66 s LYS 53 CO 0.38 0.39 -0.09 0.08 -0.92 0.00 0.00 175.35 175.19 1b66 s VAL 54 N -0.15 0.96 -0.21 3.17 1.01 0.28 -0.31 120.40 125.15 1b66 s VAL 54 Ca -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1b66 s VAL 54 Cb -0.14 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1b66 s VAL 54 CO 0.04 0.33 -0.02 -0.69 0.00 0.00 0.00 175.10 174.76 1b66 s VAL 55 N 1.06 3.69 -0.18 2.92 1.01 0.28 -1.14 120.40 128.05 1b66 s VAL 55 Ca -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1b66 s VAL 55 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1b66 s VAL 55 CO -0.01 0.42 0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1b66 s VAL 56 N 1.29 4.29 -0.12 2.92 1.01 -0.17 -1.04 120.40 128.59 1b66 s VAL 56 Ca 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1b66 s VAL 56 Cb -0.14 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1b66 s VAL 56 CO -0.00 0.46 -0.21 -0.89 0.00 0.00 0.00 175.10 174.46 1b66 s THR 57 N 0.55 2.30 0.22 3.92 2.01 -0.43 -0.71 115.64 123.49 1b66 s THR 57 Ca 0.00 -0.92 0.11 0.00 0.31 0.00 0.00 61.69 61.19 1b66 s THR 57 Cb -0.14 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 1b66 s THR 57 CO 0.02 0.55 -0.18 0.27 -0.69 0.00 0.00 174.62 174.59 1b66 s ILE 58 N 0.47 2.66 0.15 1.82 -5.25 -0.23 -0.89 121.20 119.92 1b66 s ILE 58 Ca -0.14 -2.05 0.04 0.00 -0.99 0.00 0.00 60.65 57.50 1b66 s ILE 58 Cb -0.17 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.86 1b66 s ILE 58 CO 0.06 -0.22 -0.09 -1.38 -1.79 0.00 0.00 174.94 171.52 1b66 s HIS 59 N -1.98 1.23 -4.49 1.37 -3.43 0.07 -0.74 115.29 107.32 1b66 s HIS 59 Ca 0.25 -0.80 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 1b66 s HIS 59 Cb -0.07 -0.64 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 1b66 s HIS 59 CO 0.13 0.03 0.00 0.41 -2.00 0.00 0.00 174.74 173.31 1b66 n GLY 60 N -0.19 -1.98 3.78 -1.38 0.00 -1.03 -4.63 105.19 99.76 1b66 n GLY 60 Ca -0.10 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1b66 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b66 s GLU 61 N -1.88 4.61 -0.30 1.61 2.02 -1.26 -1.57 118.70 121.93 1b66 s GLU 61 Ca 0.00 1.35 -0.29 0.00 0.02 0.00 0.00 54.97 56.05 1b66 s GLU 61 Cb 0.00 -2.85 0.01 0.00 0.10 0.00 0.00 34.13 31.39 1b66 s GLU 61 CO 0.00 0.30 1.13 0.42 0.02 0.00 0.00 175.26 177.14 1b66 s ILE 62 N -1.57 4.43 0.27 -1.63 1.01 0.16 -4.29 121.20 119.58 1b66 s ILE 62 Ca 0.49 1.66 -0.30 0.00 0.00 0.00 0.00 60.65 62.49 1b66 s ILE 62 Cb -0.19 -4.33 -0.13 0.00 0.01 0.00 0.00 42.46 37.82 1b66 s ILE 62 CO 0.25 -0.43 1.38 -0.67 0.00 0.00 0.00 174.94 175.46 1b66 n ASP 63 N 6.96 2.79 0.05 3.58 -0.08 -0.33 -4.65 116.55 124.86 1b66 n ASP 63 Ca 0.13 1.16 0.11 0.00 -1.51 0.00 0.00 54.79 54.67 1b66 n ASP 63 Cb 0.47 -1.45 0.44 0.00 2.34 0.00 0.00 41.12 42.92 1b66 n ASP 63 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1b66 n PRO 64 N 1.67 0.09 -0.11 -0.67 -0.04 -1.26 -1.58 135.00 133.10 1b66 n PRO 64 Ca 0.10 0.23 -0.22 0.00 -0.04 0.00 0.00 63.50 63.57 1b66 n PRO 64 Cb 0.33 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1b66 n PRO 64 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1b66 n VAL 65 N -1.80 1.15 0.10 0.52 0.31 -1.26 -4.73 118.33 112.61 1b66 n VAL 65 Ca 0.04 -0.30 0.09 0.00 -0.01 0.00 0.00 64.34 64.16 1b66 n VAL 65 Cb 0.27 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1b66 n VAL 65 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1b66 h THR 66 N -0.71 0.12 -0.29 2.52 1.35 -1.97 -3.48 112.91 110.45 1b66 h THR 66 Ca -0.53 -1.24 -0.12 0.00 -0.55 0.00 0.00 66.41 63.97 1b66 h THR 66 Cb 1.48 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 69.52 1b66 h THR 66 CO -0.31 0.07 -0.11 0.61 -0.25 0.00 0.00 175.52 175.53 1b66 n GLY 67 N 1.22 0.81 3.51 5.82 0.00 -0.62 -4.99 105.19 110.95 1b66 n GLY 67 Ca -0.02 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1b66 n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b66 s MET 68 N -2.54 2.23 0.04 1.61 -1.94 -1.26 -4.72 119.30 112.72 1b66 s MET 68 Ca 0.00 -0.90 -0.15 0.00 -1.71 0.00 0.00 55.69 52.93 1b66 s MET 68 Cb 0.00 -2.30 -0.32 0.00 2.01 0.00 0.00 34.83 34.22 1b66 s MET 68 CO 0.00 0.56 1.06 0.28 -0.01 0.00 0.00 175.02 176.90 1b66 h VAL 69 N 3.81 1.29 -2.14 -6.03 2.07 -1.92 -0.87 116.25 112.46 1b66 h VAL 69 Ca -0.48 -2.61 -0.05 0.00 0.82 0.00 0.00 66.70 64.38 1b66 h VAL 69 Cb 1.16 2.88 -0.22 0.00 -1.52 0.00 0.00 31.29 33.60 1b66 h VAL 69 CO 0.50 0.79 0.05 -0.32 0.02 0.00 0.00 177.57 178.61 1b66 s MET 70 N -2.78 0.76 -0.04 1.57 1.75 -1.26 -4.76 119.30 114.54 1b66 s MET 70 Ca -0.09 0.94 -0.30 0.00 -1.25 0.00 0.00 55.69 55.00 1b66 s MET 70 Cb 0.05 0.35 -0.07 0.00 2.84 0.00 0.00 34.83 38.00 1b66 s MET 70 CO 0.94 -0.10 1.85 1.21 -0.65 0.00 0.00 175.02 178.27 1b66 s ASN 71 N 0.47 6.44 0.61 1.11 3.84 -1.26 -4.86 114.94 121.29 1b66 s ASN 71 Ca -0.01 2.36 0.29 0.00 0.21 0.00 0.00 52.86 55.71 1b66 s ASN 71 Cb -0.05 -2.53 1.50 0.00 -0.55 0.00 0.00 41.25 39.62 1b66 s ASN 71 CO -0.01 -1.10 1.90 -0.07 -2.79 0.00 0.00 177.10 175.03 1b66 h LEU 72 N 10.94 0.00 -0.28 3.21 3.38 -1.99 0.36 115.31 130.93 1b66 h LEU 72 Ca -0.44 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1b66 h LEU 72 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1b66 h LEU 72 CO 0.95 0.00 0.09 0.74 0.09 0.00 0.00 178.44 180.31 1b66 h THR 73 N 0.00 1.20 -0.42 0.22 2.02 -1.99 0.15 112.91 114.08 1b66 h THR 73 Ca 0.15 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1b66 h THR 73 Cb 1.03 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1b66 h THR 73 CO -0.00 0.21 0.09 0.44 0.37 0.00 0.00 175.52 176.64 1b66 h ASP 74 N 0.29 0.65 -0.90 4.18 3.32 -0.70 -2.06 116.42 121.18 1b66 h ASP 74 Ca 0.09 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1b66 h ASP 74 Cb 0.25 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1b66 h ASP 74 CO -0.00 0.72 0.59 0.25 -1.72 0.00 0.00 179.24 179.08 1b66 h LEU 75 N 0.55 1.05 -0.22 1.55 5.85 -0.97 -1.65 115.31 121.46 1b66 h LEU 75 Ca 0.13 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1b66 h LEU 75 Cb 0.33 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1b66 h LEU 75 CO 0.00 0.76 0.03 0.11 -0.34 0.00 0.00 178.44 179.01 1b66 h LYS 76 N 1.23 0.11 -0.43 1.25 1.57 -0.38 -1.52 116.57 118.40 1b66 h LYS 76 Ca 0.33 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1b66 h LYS 76 Cb -0.13 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1b66 h LYS 76 CO -0.07 0.07 0.26 0.93 -0.57 0.00 0.00 179.45 180.07 1b66 h GLU 77 N 0.11 0.50 -0.34 3.15 5.08 -0.85 0.17 114.58 122.40 1b66 h GLU 77 Ca 0.10 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1b66 h GLU 77 Cb 0.11 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1b66 h GLU 77 CO -0.15 0.33 0.13 1.88 -1.00 0.00 0.00 179.01 180.20 1b66 h TYR 78 N 0.52 0.23 -0.11 4.33 0.05 -1.04 -1.25 116.97 119.70 1b66 h TYR 78 Ca 0.17 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.87 1b66 h TYR 78 Cb 0.00 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1b66 h TYR 78 CO -0.07 0.10 -0.37 0.52 -1.05 0.00 0.00 178.16 177.29 1b66 h MET 79 N 0.28 0.23 -0.58 4.88 2.86 -0.93 0.85 114.93 122.53 1b66 h MET 79 Ca 0.15 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1b66 h MET 79 Cb 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1b66 h MET 79 CO -0.15 0.57 0.18 1.49 1.06 0.00 0.00 176.91 180.07 1b66 h GLU 80 N 0.20 0.90 0.09 1.72 4.57 -0.16 0.21 114.58 122.11 1b66 h GLU 80 Ca 0.02 -0.20 -0.29 0.00 -1.18 0.00 0.00 59.36 57.71 1b66 h GLU 80 Cb 0.75 -0.13 0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1b66 h GLU 80 CO 0.06 0.81 -1.20 1.49 -1.18 0.00 0.00 179.01 178.99 1b66 h GLU 81 N 0.82 0.64 0.00 1.92 4.57 -1.04 0.14 114.58 121.62 1b66 h GLU 81 Ca 0.19 -0.81 -0.13 0.00 -1.18 0.00 0.00 59.36 57.43 1b66 h GLU 81 Cb 0.29 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1b66 h GLU 81 CO -0.01 1.36 -0.82 0.00 -1.18 0.00 0.00 179.01 178.37 1b66 h ALA 82 N 0.33 0.65 0.00 2.92 0.00 -0.80 -3.39 119.26 118.97 1b66 h ALA 82 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1b66 h ALA 82 Cb 1.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1b66 h ALA 82 CO 0.23 0.74 -0.05 -0.89 0.00 0.00 0.00 179.25 179.28 1b66 n ILE 83 N -3.12 1.08 0.22 0.00 5.41 0.69 -4.74 119.36 118.90 1b66 n ILE 83 Ca -0.02 0.36 -0.15 0.00 1.00 0.00 0.00 62.75 63.94 1b66 n ILE 83 Cb 0.78 -1.50 -0.08 0.00 -0.71 0.00 0.00 39.64 38.13 1b66 n ILE 83 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1b66 h MET 84 N 0.00 -0.47 0.10 0.38 2.86 -1.33 -0.25 114.93 116.22 1b66 h MET 84 Ca 0.00 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1b66 h MET 84 Cb 0.05 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1b66 h MET 84 CO 0.00 -0.29 -0.18 -0.22 1.06 0.00 0.00 176.91 177.28 1b66 h LYS 85 N -0.53 -0.34 0.00 1.72 3.64 -0.95 0.62 116.57 120.73 1b66 h LYS 85 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1b66 h LYS 85 Cb 0.40 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1b66 h LYS 85 CO 0.08 -0.23 -0.15 -1.00 -2.27 0.00 0.00 179.45 175.89 1b66 h PRO 86 N -0.35 0.00 0.00 1.90 0.13 -1.76 -3.40 132.00 128.53 1b66 h PRO 86 Ca 0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.99 1b66 h PRO 86 Cb 0.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 1b66 h PRO 86 CO -0.10 0.00 -1.64 1.28 -0.23 0.00 0.00 178.00 177.31 1b66 n LEU 87 N -2.87 0.00 -4.70 1.56 4.77 -0.11 -4.82 117.00 110.84 1b66 n LEU 87 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1b66 n LEU 87 Cb 0.51 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 1b66 n LEU 87 CO 0.34 0.23 1.21 -0.62 -1.33 0.00 0.00 177.39 177.22 1b66 s ASP 88 N -4.14 6.72 -1.16 -1.43 2.15 0.19 -2.86 116.67 116.14 1b66 s ASP 88 Ca -0.05 2.35 -0.03 0.00 0.43 0.00 0.00 52.55 55.26 1b66 s ASP 88 Cb 0.03 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1b66 s ASP 88 CO 0.38 -0.79 0.98 1.41 -0.17 0.00 0.00 175.17 176.98 1b66 n HIS 89 N 5.11 -2.24 -4.31 -5.34 8.25 0.22 -4.92 115.22 111.98 1b66 n HIS 89 Ca 0.14 0.89 -0.17 0.00 -0.26 0.00 0.00 57.72 58.33 1b66 n HIS 89 Cb 0.42 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.60 1b66 n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b66 s LYS 90 N -5.57 1.27 -0.32 -0.41 -0.14 -1.13 -5.02 119.74 108.41 1b66 s LYS 90 Ca 0.18 -1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 53.05 1b66 s LYS 90 Cb -0.08 -0.65 -0.02 0.00 -1.68 0.00 0.00 37.83 35.40 1b66 s LYS 90 CO 0.67 -0.04 0.22 1.21 -0.76 0.00 0.00 175.35 176.65 1b66 s ASN 91 N -3.28 5.97 0.25 2.83 3.84 -1.26 -1.68 114.94 121.62 1b66 s ASN 91 Ca 0.25 -0.36 -0.05 0.00 0.21 0.00 0.00 52.86 52.91 1b66 s ASN 91 Cb 0.05 -2.11 0.32 0.00 -0.55 0.00 0.00 41.25 38.95 1b66 s ASN 91 CO 0.07 -0.19 1.90 -0.07 -2.79 0.00 0.00 177.10 176.02 1b66 h LEU 92 N 8.45 1.08 0.00 3.21 3.38 -1.22 0.09 115.31 130.30 1b66 h LEU 92 Ca -0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1b66 h LEU 92 Cb 1.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1b66 h LEU 92 CO 0.62 0.75 -0.09 0.47 0.09 0.00 0.00 178.44 180.27 1b66 n ASP 93 N -4.45 0.51 -0.01 -0.43 8.00 -1.26 -3.09 116.55 115.81 1b66 n ASP 93 Ca 0.13 0.45 -0.00 0.00 0.71 0.00 0.00 54.79 56.08 1b66 n ASP 93 Cb 0.09 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 1b66 n ASP 93 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1b66 n LEU 94 N -1.94 0.00 -0.00 0.64 4.77 -1.07 -4.45 117.00 114.94 1b66 n LEU 94 Ca 0.06 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 1b66 n LEU 94 Cb 0.40 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1b66 n LEU 94 CO 0.30 0.06 -0.12 0.47 -1.33 0.00 0.00 177.39 176.77 1b66 n ASP 95 N -1.95 0.86 -4.16 -1.43 8.00 -0.00 -4.85 116.55 113.02 1b66 n ASP 95 Ca -0.04 -0.85 -0.35 0.00 0.71 0.00 0.00 54.79 54.26 1b66 n ASP 95 Cb 0.42 1.10 -0.14 0.00 -0.02 0.00 0.00 41.12 42.48 1b66 n ASP 95 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b66 s VAL 96 N -2.86 2.95 0.30 2.53 1.01 -1.18 -4.99 120.40 118.16 1b66 s VAL 96 Ca 0.06 -1.48 0.07 0.00 0.00 0.00 0.00 61.98 60.62 1b66 s VAL 96 Cb 0.14 -2.74 0.30 0.00 0.00 0.00 0.00 36.38 34.08 1b66 s VAL 96 CO 0.79 -0.17 1.73 -0.65 0.00 0.00 0.00 175.10 176.80 1b66 h PRO 97 N 7.98 0.54 -0.94 2.72 0.11 -1.88 -1.80 132.00 138.73 1b66 h PRO 97 Ca -0.20 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.07 1b66 h PRO 97 Cb 1.06 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.97 1b66 h PRO 97 CO 0.54 0.36 0.60 -0.92 -0.21 0.00 0.00 178.00 178.38 1b66 h TYR 98 N 0.56 0.72 -0.14 0.65 5.03 -1.95 -0.61 116.97 121.23 1b66 h TYR 98 Ca 0.60 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.93 1b66 h TYR 98 Cb 1.09 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1b66 h TYR 98 CO -0.05 0.19 0.00 1.19 -1.32 0.00 0.00 178.16 178.17 1b66 n PHE 99 N -4.59 0.18 -0.27 -3.82 3.72 -0.68 -3.86 117.46 108.15 1b66 n PHE 99 Ca 0.20 -0.09 -0.04 0.00 -0.05 0.00 0.00 57.45 57.48 1b66 n PHE 99 Cb 0.64 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.26 1b66 n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b66 h ALA 100 N 3.76 0.95 0.00 4.37 0.00 -1.19 -3.15 119.26 124.00 1b66 h ALA 100 Ca 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1b66 h ALA 100 Cb 0.31 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 1b66 h ALA 100 CO 0.00 0.30 -0.63 -0.40 0.00 0.00 0.00 179.25 178.52 1b66 n ASP 101 N -4.61 1.48 -3.80 0.00 5.68 -1.25 -5.00 116.55 109.05 1b66 n ASP 101 Ca 0.08 -3.22 -0.21 0.00 -0.50 0.00 0.00 54.79 50.94 1b66 n ASP 101 Cb 0.06 -0.44 -0.17 0.00 -1.14 0.00 0.00 41.12 39.42 1b66 n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1b66 s VAL 102 N -2.13 0.34 0.28 2.12 1.01 -1.19 -5.09 120.40 115.73 1b66 s VAL 102 Ca 0.35 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 1b66 s VAL 102 Cb 0.36 -0.47 -0.12 0.00 0.00 0.00 0.00 36.38 36.16 1b66 s VAL 102 CO -0.09 0.23 1.64 -0.69 0.00 0.00 0.00 175.10 176.18 1b66 s VAL 103 N 1.57 2.00 -0.31 2.92 1.01 -1.26 -4.59 120.40 121.74 1b66 s VAL 103 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1b66 s VAL 103 Cb -0.13 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1b66 s VAL 103 CO -0.03 0.00 3.03 -1.54 0.00 0.00 0.00 175.10 176.56 1b66 n SER 104 N 2.58 6.07 -4.66 3.32 3.41 -1.26 -4.67 113.62 118.40 1b66 n SER 104 Ca 0.10 -2.97 -0.29 0.00 -0.26 0.00 0.00 58.87 55.46 1b66 n SER 104 Cb 0.37 -1.29 0.18 0.00 -0.26 0.00 0.00 64.21 63.21 1b66 n SER 104 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1b66 s THR 105 N -1.20 2.03 0.37 6.66 -4.23 -1.26 -4.80 115.64 113.20 1b66 s THR 105 Ca 0.61 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1b66 s THR 105 Cb 0.36 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.95 1b66 s THR 105 CO -0.15 -0.01 1.98 0.74 -0.54 0.00 0.00 174.62 176.64 1b66 h THR 106 N -1.97 1.15 -0.06 3.99 2.02 -1.98 -2.10 112.91 113.97 1b66 h THR 106 Ca -0.55 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.20 1b66 h THR 106 Cb 1.33 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1b66 h THR 106 CO 0.57 0.18 0.01 -0.33 0.37 0.00 0.00 175.52 176.33 1b66 h GLU 107 N 0.61 0.04 0.00 6.66 3.07 -1.95 -1.13 114.58 121.88 1b66 h GLU 107 Ca 0.15 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1b66 h GLU 107 Cb 0.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1b66 h GLU 107 CO -0.02 0.03 -0.41 -0.91 -1.40 0.00 0.00 179.01 176.30 1b66 h ASN 108 N 0.04 0.00 -0.31 1.42 2.35 -1.74 -1.41 115.58 115.94 1b66 h ASN 108 Ca 0.02 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1b66 h ASN 108 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1b66 h ASN 108 CO -0.03 0.41 -0.10 0.58 -1.65 0.00 0.00 177.43 176.64 1b66 h VAL 109 N 0.00 1.29 -0.58 2.81 2.07 -1.14 0.18 116.25 120.87 1b66 h VAL 109 Ca -0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1b66 h VAL 109 Cb 0.85 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1b66 h VAL 109 CO 0.05 0.37 0.34 0.00 0.02 0.00 0.00 177.57 178.35 1b66 h ALA 110 N 0.78 0.74 -0.19 1.67 0.00 -0.80 -0.62 119.26 120.84 1b66 h ALA 110 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1b66 h ALA 110 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1b66 h ALA 110 CO 0.04 0.23 0.06 0.28 0.00 0.00 0.00 179.25 179.85 1b66 h VAL 111 N 0.78 1.19 -0.40 0.00 2.07 -1.17 -0.80 116.25 117.92 1b66 h VAL 111 Ca 0.21 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.15 1b66 h VAL 111 Cb 0.01 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1b66 h VAL 111 CO -0.04 0.19 0.19 0.22 0.02 0.00 0.00 177.57 178.16 1b66 h TYR 112 N 0.13 0.36 -0.47 1.57 5.03 -0.45 -0.68 116.97 122.46 1b66 h TYR 112 Ca 0.06 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1b66 h TYR 112 Cb 0.24 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 1b66 h TYR 112 CO 0.00 0.19 0.22 0.82 -1.32 0.00 0.00 178.16 178.07 1b66 h ILE 113 N 0.40 1.19 -0.31 1.81 2.04 -1.02 -1.55 117.51 120.05 1b66 h ILE 113 Ca 0.17 -0.53 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1b66 h ILE 113 Cb 0.08 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1b66 h ILE 113 CO -0.12 0.21 0.01 -0.25 0.00 0.00 0.00 178.15 177.99 1b66 h TRP 114 N 0.61 0.01 -0.70 1.37 2.91 -0.81 -1.05 115.95 118.29 1b66 h TRP 114 Ca 0.16 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.17 1b66 h TRP 114 Cb 0.12 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 1b66 h TRP 114 CO -0.01 -0.04 0.31 0.93 -1.03 0.00 0.00 178.44 178.60 1b66 h GLU 115 N 0.11 1.02 -0.29 2.65 5.08 -0.92 -0.75 114.58 121.47 1b66 h GLU 115 Ca 0.15 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1b66 h GLU 115 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1b66 h GLU 115 CO -0.24 0.80 0.05 -0.91 -1.00 0.00 0.00 179.01 177.71 1b66 h ASN 116 N 1.01 0.46 -0.63 1.42 4.21 -0.84 -2.91 115.58 118.29 1b66 h ASN 116 Ca 0.24 -0.25 -0.06 0.00 1.21 0.00 0.00 56.30 57.43 1b66 h ASN 116 Cb 0.14 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 1b66 h ASN 116 CO -0.03 0.59 0.15 -0.07 -1.29 0.00 0.00 177.43 176.79 1b66 h LEU 117 N 0.31 0.98 -1.92 1.61 3.38 -0.95 -2.87 115.31 115.84 1b66 h LEU 117 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1b66 h LEU 117 Cb 0.33 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1b66 h LEU 117 CO 0.00 0.95 -0.05 1.56 0.09 0.00 0.00 178.44 180.99 1b66 h GLN 118 N 0.98 0.00 0.00 1.13 1.08 -1.02 0.85 115.11 118.14 1b66 h GLN 118 Ca 0.21 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 1b66 h GLN 118 Cb 0.36 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1b66 h GLN 118 CO 0.00 0.05 -0.25 0.00 -0.95 0.00 0.00 178.83 177.69 1b66 h ARG 119 N 0.00 0.00 0.00 1.46 3.08 -1.32 -3.36 114.38 114.25 1b66 h ARG 119 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1b66 h ARG 119 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1b66 h ARG 119 CO 0.01 0.25 -2.26 1.28 -1.07 0.00 0.00 179.97 178.17 1b66 n LEU 120 N -3.46 2.96 -4.77 3.04 4.32 -0.48 -5.05 117.00 113.56 1b66 n LEU 120 Ca -0.00 -0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.54 1b66 n LEU 120 Cb 0.42 -0.77 0.06 0.00 -1.62 0.00 0.00 43.42 41.51 1b66 n LEU 120 CO 0.34 0.87 0.73 -0.76 -1.22 0.00 0.00 177.39 177.35 1b66 s LEU 121 N -6.29 3.31 0.48 2.23 1.02 0.17 -5.01 118.68 114.60 1b66 s LEU 121 Ca -0.30 1.97 -0.23 0.00 0.02 0.00 0.00 54.13 55.59 1b66 s LEU 121 Cb 0.08 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.67 1b66 s LEU 121 CO 0.51 -1.72 1.28 -2.84 0.02 0.00 0.00 176.35 173.59 1b66 s PRO 122 N -4.26 3.56 0.21 1.29 0.02 -1.26 -4.90 135.00 129.66 1b66 s PRO 122 Ca 0.66 2.05 -0.32 0.00 0.02 0.00 0.00 61.00 63.41 1b66 s PRO 122 Cb -0.20 -2.42 -0.14 0.00 0.02 0.00 0.00 34.50 31.76 1b66 s PRO 122 CO 0.45 -0.80 1.37 0.28 -0.33 0.00 0.00 177.00 177.96 1b66 n VAL 123 N -0.57 0.82 -0.56 3.83 0.31 -1.26 -1.54 118.33 119.37 1b66 n VAL 123 Ca 0.08 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1b66 n VAL 123 Cb 0.46 -1.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1b66 n VAL 123 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b66 n GLY 124 N 2.25 1.48 0.13 2.92 0.00 -1.26 -4.90 105.19 105.81 1b66 n GLY 124 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1b66 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b66 h ALA 125 N 0.00 0.20 -2.50 4.61 0.00 -1.54 -3.44 119.26 116.59 1b66 h ALA 125 Ca 0.00 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.06 1b66 h ALA 125 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1b66 h ALA 125 CO 0.00 0.08 0.87 -1.17 0.00 0.00 0.00 179.25 179.03 1b66 s LEU 126 N -9.10 4.36 -0.10 0.00 2.96 -1.26 -0.75 118.68 114.79 1b66 s LEU 126 Ca -0.14 2.42 -0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1b66 s LEU 126 Cb 0.05 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 1b66 s LEU 126 CO 0.75 -0.79 -0.10 0.00 -1.32 0.00 0.00 176.35 174.89 1b66 n TYR 127 N 4.72 0.00 -3.57 5.38 9.36 -0.07 -4.86 117.16 128.13 1b66 n TYR 127 Ca 0.14 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.19 1b66 n TYR 127 Cb 0.41 -0.36 -0.06 0.00 -0.63 0.00 0.00 39.34 38.69 1b66 n TYR 127 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1b66 s LYS 128 N -2.19 1.00 -0.12 2.98 2.20 -0.84 -4.66 119.74 118.11 1b66 s LYS 128 Ca -0.13 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1b66 s LYS 128 Cb 0.04 0.46 0.02 0.00 -1.51 0.00 0.00 37.83 36.85 1b66 s LYS 128 CO 0.20 -0.32 -0.11 0.08 -0.36 0.00 0.00 175.35 174.84 1b66 s VAL 129 N -1.46 1.28 -0.16 4.02 1.01 -0.57 -1.32 120.40 123.20 1b66 s VAL 129 Ca -0.10 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1b66 s VAL 129 Cb -0.01 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1b66 s VAL 129 CO 0.07 0.41 -0.18 -0.75 0.00 0.00 0.00 175.10 174.65 1b66 s LYS 130 N 1.46 3.12 -0.17 2.72 2.20 -0.21 -0.90 119.74 127.96 1b66 s LYS 130 Ca 0.02 -0.79 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1b66 s LYS 130 Cb -0.13 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.62 1b66 s LYS 130 CO -0.07 -0.05 -0.19 0.08 -0.36 0.00 0.00 175.35 174.76 1b66 s VAL 131 N 0.95 2.24 -0.36 4.02 1.01 0.03 -0.56 120.40 127.73 1b66 s VAL 131 Ca -0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1b66 s VAL 131 Cb -0.15 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1b66 s VAL 131 CO -0.03 0.53 0.23 -0.31 0.00 0.00 0.00 175.10 175.52 1b66 s TYR 132 N 1.08 3.23 0.07 5.22 1.51 0.58 -0.94 117.35 128.09 1b66 s TYR 132 Ca -0.00 -0.62 -0.13 0.00 -1.01 0.00 0.00 57.07 55.31 1b66 s TYR 132 Cb -0.14 -2.47 -0.24 0.00 -0.11 0.00 0.00 41.96 39.00 1b66 s TYR 132 CO -0.07 -0.53 1.17 1.49 -1.11 0.00 0.00 175.55 176.50 1b66 h GLU 133 N 8.48 0.63 -4.64 -0.62 4.81 -1.40 -1.70 114.58 120.15 1b66 h GLU 133 Ca -0.28 -0.75 -0.38 0.00 -0.13 0.00 0.00 59.36 57.82 1b66 h GLU 133 Cb 1.13 0.23 -0.12 0.00 0.63 0.00 0.00 28.75 30.61 1b66 h GLU 133 CO 0.67 1.32 -0.43 0.95 -0.73 0.00 0.00 179.01 180.79 1b66 s THR 134 N -3.17 0.00 0.39 0.32 -4.23 -1.21 -4.41 115.64 103.33 1b66 s THR 134 Ca -0.09 -1.89 0.33 0.00 -1.18 0.00 0.00 61.69 58.86 1b66 s THR 134 Cb 0.07 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.74 1b66 s THR 134 CO 0.92 0.00 2.12 0.44 -0.54 0.00 0.00 174.62 177.56 1b66 h ASP 135 N 2.21 0.00 0.13 3.99 3.32 -1.94 -3.14 116.42 120.99 1b66 h ASP 135 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1b66 h ASP 135 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1b66 h ASP 135 CO 0.40 0.06 -1.67 0.59 -1.72 0.00 0.00 179.24 176.90 1b66 n ASN 136 N -3.36 0.29 -4.15 6.45 4.13 -1.26 -4.88 115.26 112.48 1b66 n ASN 136 Ca -0.01 -0.14 -0.34 0.00 1.68 0.00 0.00 54.58 55.77 1b66 n ASN 136 Cb 0.22 1.59 -0.15 0.00 -1.54 0.00 0.00 39.78 39.91 1b66 n ASN 136 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1b66 s ASN 137 N -4.31 4.35 0.00 6.41 0.01 -1.19 -5.09 114.94 115.13 1b66 s ASN 137 Ca -0.04 -1.07 0.04 0.00 -0.71 0.00 0.00 52.86 51.08 1b66 s ASN 137 Cb 0.14 -1.63 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 1b66 s ASN 137 CO 0.88 -0.16 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.55 1b66 s ILE 138 N 1.25 1.05 -0.04 0.60 1.01 -1.26 -1.09 121.20 122.71 1b66 s ILE 138 Ca -0.03 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1b66 s ILE 138 Cb -0.18 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1b66 s ILE 138 CO -0.05 0.23 -0.15 -0.69 0.00 0.00 0.00 174.94 174.28 1b66 s VAL 139 N -0.43 1.23 -0.11 2.92 1.01 -0.12 -4.99 120.40 119.91 1b66 s VAL 139 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1b66 s VAL 139 Cb -0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1b66 s VAL 139 CO -0.00 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 1b66 s VAL 140 N 0.08 2.81 -0.05 2.92 1.01 -1.26 -0.79 120.40 125.11 1b66 s VAL 140 Ca -0.03 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1b66 s VAL 140 Cb -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1b66 s VAL 140 CO 0.02 0.54 -0.17 -0.47 0.00 0.00 0.00 175.10 175.02 1b66 s TYR 141 N 0.19 1.76 -0.10 5.22 5.04 -0.08 -5.01 117.35 124.37 1b66 s TYR 141 Ca -0.09 -0.56 0.13 0.00 -2.44 0.00 0.00 57.07 54.11 1b66 s TYR 141 Cb -0.16 -1.20 0.26 0.00 0.35 0.00 0.00 41.96 41.21 1b66 s TYR 141 CO 0.06 -0.22 1.13 1.63 -1.34 0.00 0.00 175.55 176.81 1b66 n LYS 142 N 3.32 0.86 -1.07 4.97 5.02 -1.26 -1.51 118.16 128.49 1b66 n LYS 142 Ca -0.19 -2.24 -0.03 0.00 -2.02 0.00 0.00 58.31 53.83 1b66 n LYS 142 Cb 0.53 -1.09 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1b66 n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b66 n GLY 143 N -0.78 0.59 0.81 0.72 0.00 -1.26 -4.93 105.19 100.32 1b66 n GLY 143 Ca 0.11 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1b66 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50