#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npt n SER 36 N 0.00 1.98 -4.95 -3.46 3.41 -1.26 -5.05 113.62 104.29 2npt n SER 36 Ca 0.00 -3.28 -0.23 0.00 -0.26 0.00 0.00 58.87 55.09 2npt n SER 36 Cb 0.00 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 2npt n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2npt s SER 37 N -2.89 6.26 0.52 4.04 1.04 -1.26 -5.08 113.70 116.34 2npt s SER 37 Ca 0.33 0.36 -0.23 0.00 0.48 0.00 0.00 55.95 56.88 2npt s SER 37 Cb 0.30 -1.95 -0.06 0.00 0.10 0.00 0.00 66.02 64.42 2npt s SER 37 CO -0.01 -0.29 1.39 -2.84 0.98 0.00 0.00 173.24 172.47 2npt s PRO 38 N -4.27 3.25 -1.05 4.02 0.02 -1.26 -4.98 135.00 130.73 2npt s PRO 38 Ca 0.40 2.31 -0.04 0.00 0.02 0.00 0.00 61.00 63.69 2npt s PRO 38 Cb -0.09 -2.36 0.30 0.00 0.02 0.00 0.00 34.50 32.37 2npt s PRO 38 CO 0.35 -1.13 1.35 1.63 -0.33 0.00 0.00 177.00 178.87 2npt n LYS 39 N -0.83 4.13 -1.71 5.54 4.76 -1.26 -5.04 118.16 123.75 2npt n LYS 39 Ca 0.09 -4.55 -0.43 0.00 -2.87 0.00 0.00 58.31 50.55 2npt n LYS 39 Cb 0.44 -2.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.10 2npt n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2npt n LYS 40 N 1.55 2.66 -2.48 1.97 4.01 -1.26 -5.03 118.16 119.59 2npt n LYS 40 Ca 0.26 0.96 -0.24 0.00 -0.51 0.00 0.00 58.31 58.78 2npt n LYS 40 Cb 0.35 -2.80 0.10 0.00 -0.51 0.00 0.00 35.03 32.16 2npt n LYS 40 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2npt s GLN 41 N 1.35 1.82 0.19 1.97 -0.21 -1.26 -5.07 119.66 118.45 2npt s GLN 41 Ca 0.77 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.98 2npt s GLN 41 Cb -0.54 -2.29 -0.10 0.00 1.00 0.00 0.00 33.01 31.09 2npt s GLN 41 CO 0.34 -1.37 1.48 0.54 -2.12 0.00 0.00 175.29 174.16 2npt s ASN 42 N -4.66 6.66 0.67 5.90 4.22 -1.26 -4.92 114.94 121.55 2npt s ASN 42 Ca 0.64 2.58 -0.14 0.00 -2.14 0.00 0.00 52.86 53.81 2npt s ASN 42 Cb -0.07 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.86 2npt s ASN 42 CO 0.44 -0.74 1.08 -1.81 -2.04 0.00 0.00 177.10 174.04 2npt s ASP 43 N 0.78 5.22 -0.30 3.54 1.01 -1.26 -4.51 116.67 121.15 2npt s ASP 43 Ca 0.64 1.85 -0.15 0.00 0.71 0.00 0.00 52.55 55.60 2npt s ASP 43 Cb -0.42 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 40.96 2npt s ASP 43 CO 0.36 -1.55 0.39 -0.69 0.21 0.00 0.00 175.17 173.89 2npt s VAL 44 N -2.60 5.15 -0.26 -1.27 1.01 0.11 -4.86 120.40 117.68 2npt s VAL 44 Ca 0.63 0.39 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 2npt s VAL 44 Cb -0.17 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2npt s VAL 44 CO 0.45 0.04 1.02 -0.60 0.00 0.00 0.00 175.10 176.00 2npt s ARG 45 N 2.10 4.18 -0.10 2.72 3.52 -1.26 -0.48 118.95 129.63 2npt s ARG 45 Ca 0.15 1.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.94 2npt s ARG 45 Cb -0.16 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.53 2npt s ARG 45 CO 0.11 -0.70 -0.12 0.08 -0.81 0.00 0.00 175.30 173.86 2npt s VAL 46 N 3.29 3.21 -0.36 7.11 1.01 0.42 -0.26 120.40 134.82 2npt s VAL 46 Ca 0.43 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2npt s VAL 46 Cb -0.14 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.99 2npt s VAL 46 CO 0.09 0.55 0.12 -0.75 0.00 0.00 0.00 175.10 175.11 2npt s LYS 47 N -0.11 2.30 0.23 2.72 2.20 0.09 -1.58 119.74 125.58 2npt s LYS 47 Ca -0.01 -1.50 -0.15 0.00 -0.36 0.00 0.00 55.97 53.96 2npt s LYS 47 Cb -0.14 -3.44 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2npt s LYS 47 CO 0.03 -0.84 0.64 -0.06 -0.36 0.00 0.00 175.35 174.77 2npt s PHE 48 N 1.24 3.52 -0.04 4.03 0.08 0.24 -0.98 117.98 126.09 2npt s PHE 48 Ca 0.02 1.15 0.02 0.00 0.12 0.00 0.00 56.93 58.23 2npt s PHE 48 Cb -0.21 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2npt s PHE 48 CO -0.01 0.29 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.33 2npt s GLU 49 N -2.38 0.93 -0.14 0.44 2.12 -0.12 -1.49 118.70 118.06 2npt s GLU 49 Ca 0.45 -0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2npt s GLU 49 Cb -0.14 -0.88 0.07 0.00 0.26 0.00 0.00 34.13 33.45 2npt s GLU 49 CO 0.20 0.02 0.30 -1.58 -0.54 0.00 0.00 175.26 173.65 2npt s HIS 50 N 0.54 -0.48 -1.50 5.30 2.46 -0.08 -0.60 115.29 120.92 2npt s HIS 50 Ca -0.08 1.06 -0.03 0.00 0.47 0.00 0.00 55.06 56.48 2npt s HIS 50 Cb -0.12 0.05 0.03 0.00 -0.13 0.00 0.00 32.58 32.41 2npt s HIS 50 CO 0.01 -0.36 0.35 0.54 -2.47 0.00 0.00 174.74 172.81 2npt n ARG 51 N 5.12 -2.55 -0.35 2.88 1.74 -1.26 -1.32 116.66 120.91 2npt n ARG 51 Ca -0.11 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2npt n ARG 51 Cb 0.50 -4.34 0.00 0.00 -1.02 0.00 0.00 32.46 27.61 2npt n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2npt n GLY 52 N -2.06 1.84 3.73 -0.13 0.00 -1.26 -5.02 105.19 102.29 2npt n GLY 52 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2npt n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2npt s GLU 53 N -0.16 4.15 0.04 1.61 2.12 -0.44 -5.10 118.70 120.91 2npt s GLU 53 Ca 0.00 -0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.16 2npt s GLU 53 Cb 0.00 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2npt s GLU 53 CO 0.00 0.32 -0.12 0.15 -0.54 0.00 0.00 175.26 175.07 2npt s LYS 54 N 0.31 2.28 -0.01 4.30 1.02 -1.26 -0.91 119.74 125.47 2npt s LYS 54 Ca 0.08 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.18 2npt s LYS 54 Cb -0.11 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 2npt s LYS 54 CO -0.02 0.56 0.00 1.03 -0.92 0.00 0.00 175.35 176.00 2npt s ARG 55 N -1.59 0.03 -0.14 1.68 1.81 -0.56 -5.00 118.95 115.19 2npt s ARG 55 Ca 0.17 0.03 -0.00 0.00 -1.72 0.00 0.00 55.73 54.21 2npt s ARG 55 Cb -0.11 -0.09 -0.01 0.00 -0.45 0.00 0.00 34.95 34.29 2npt s ARG 55 CO 0.08 -0.03 -0.13 0.42 -0.68 0.00 0.00 175.30 174.95 2npt s ILE 56 N 0.24 2.96 0.05 1.52 1.01 -1.26 -0.59 121.20 125.13 2npt s ILE 56 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2npt s ILE 56 Cb -0.03 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2npt s ILE 56 CO -0.01 0.52 -0.12 -0.76 0.00 0.00 0.00 174.94 174.57 2npt s LEU 57 N 0.49 2.22 -0.17 2.97 1.43 -0.62 -4.99 118.68 120.01 2npt s LEU 57 Ca -0.09 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 2npt s LEU 57 Cb -0.16 -0.43 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2npt s LEU 57 CO 0.04 -0.07 0.13 -1.10 0.23 0.00 0.00 176.35 175.59 2npt s GLN 58 N -1.39 3.91 -0.14 1.70 -0.21 -1.26 -0.43 119.66 121.83 2npt s GLN 58 Ca -0.03 -0.19 -0.00 0.00 0.02 0.00 0.00 55.36 55.16 2npt s GLN 58 Cb -0.09 -3.33 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 2npt s GLN 58 CO 0.01 0.48 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.47 2npt s PHE 59 N -0.16 2.81 0.35 0.91 0.08 0.37 -4.92 117.98 117.43 2npt s PHE 59 Ca 0.11 -0.71 -0.27 0.00 0.12 0.00 0.00 56.93 56.17 2npt s PHE 59 Cb -0.11 -1.86 -0.09 0.00 -0.57 0.00 0.00 43.02 40.38 2npt s PHE 59 CO 0.00 -0.26 1.17 -1.25 -0.10 0.00 0.00 175.22 174.78 2npt s PRO 60 N 0.46 4.29 0.44 0.24 0.04 -1.26 0.04 135.00 139.26 2npt s PRO 60 Ca -0.09 1.88 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 2npt s PRO 60 Cb -0.16 -2.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 2npt s PRO 60 CO 0.05 -0.12 0.94 1.03 0.04 0.00 0.00 177.00 178.93 2npt s ARG 61 N -1.96 4.13 0.27 4.56 0.52 -1.26 -3.73 118.95 121.48 2npt s ARG 61 Ca 0.52 1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 56.46 2npt s ARG 61 Cb -0.32 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 32.86 2npt s ARG 61 CO 0.41 -0.08 1.05 -1.25 0.02 0.00 0.00 175.30 175.46 2npt s PRO 62 N -3.41 4.68 0.09 3.54 0.04 -1.26 -5.01 135.00 133.67 2npt s PRO 62 Ca 0.60 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2npt s PRO 62 Cb -0.09 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 2npt s PRO 62 CO 0.18 0.28 0.72 0.08 0.04 0.00 0.00 177.00 178.31 2npt s VAL 63 N -1.19 4.60 0.07 -0.36 1.01 -1.24 -5.07 120.40 118.22 2npt s VAL 63 Ca 0.44 1.55 0.07 0.00 0.00 0.00 0.00 61.98 64.05 2npt s VAL 63 Cb -0.30 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2npt s VAL 63 CO 0.38 0.47 -0.15 -0.54 0.00 0.00 0.00 175.10 175.25 2npt s LYS 64 N -0.69 2.05 0.26 2.72 3.01 -1.26 -4.91 119.74 120.93 2npt s LYS 64 Ca 0.35 -1.01 -0.01 0.00 -1.01 0.00 0.00 55.97 54.28 2npt s LYS 64 Cb -0.21 -2.22 0.55 0.00 -1.01 0.00 0.00 37.83 34.93 2npt s LYS 64 CO 0.23 0.52 1.73 -0.07 0.51 0.00 0.00 175.35 178.28 2npt h LEU 65 N 4.15 0.37 -1.22 3.17 3.38 -1.92 -1.65 115.31 121.60 2npt h LEU 65 Ca -0.49 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 2npt h LEU 65 Cb 1.16 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2npt h LEU 65 CO 0.49 0.12 -0.27 -0.08 0.09 0.00 0.00 178.44 178.79 2npt h GLU 66 N 0.49 0.19 -0.10 1.13 4.57 -1.98 0.38 114.58 119.27 2npt h GLU 66 Ca 0.46 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2npt h GLU 66 Cb 0.73 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2npt h GLU 66 CO -0.42 0.45 0.06 -0.44 -1.18 0.00 0.00 179.01 177.48 2npt h ASP 67 N 0.17 0.11 -0.51 1.04 3.32 -1.73 0.03 116.42 118.86 2npt h ASP 67 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2npt h ASP 67 Cb 0.57 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 2npt h ASP 67 CO 0.04 0.10 0.33 -0.07 -1.72 0.00 0.00 179.24 177.92 2npt h LEU 68 N 0.11 0.55 -0.27 1.55 3.38 -1.00 -1.16 115.31 118.47 2npt h LEU 68 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2npt h LEU 68 Cb 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2npt h LEU 68 CO -0.01 0.39 0.14 0.03 0.09 0.00 0.00 178.44 179.09 2npt h ARG 69 N 0.66 0.37 -0.58 1.13 -0.00 -0.66 -0.86 114.38 114.45 2npt h ARG 69 Ca 0.20 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.98 59.54 2npt h ARG 69 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 29.84 2npt h ARG 69 CO -0.06 0.34 -0.00 0.66 0.00 0.00 0.00 179.97 180.90 2npt h SER 70 N 0.31 0.98 -0.00 7.04 4.64 -0.94 -0.49 113.55 125.09 2npt h SER 70 Ca 0.09 -0.27 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 2npt h SER 70 Cb 0.08 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2npt h SER 70 CO -0.01 1.03 -0.40 0.11 -0.87 0.00 0.00 176.83 176.69 2npt h LYS 71 N 0.92 0.52 -0.18 4.77 1.79 -1.12 -2.17 116.57 121.10 2npt h LYS 71 Ca 0.17 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 2npt h LYS 71 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 2npt h LYS 71 CO 0.03 0.84 -0.16 0.00 -1.08 0.00 0.00 179.45 179.07 2npt h ALA 72 N 1.13 1.40 -0.34 3.86 0.00 -0.81 -0.71 119.26 123.78 2npt h ALA 72 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2npt h ALA 72 Cb 0.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2npt h ALA 72 CO 0.08 0.41 -0.18 -0.22 0.00 0.00 0.00 179.25 179.34 2npt h LYS 73 N 0.27 0.73 -0.89 0.00 3.64 -0.82 -0.83 116.57 118.67 2npt h LYS 73 Ca 0.05 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.12 2npt h LYS 73 Cb 0.45 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 2npt h LYS 73 CO 0.03 0.93 0.58 0.82 -2.27 0.00 0.00 179.45 179.54 2npt h ILE 74 N 0.50 1.20 -0.04 2.00 2.04 -1.14 0.25 117.51 122.33 2npt h ILE 74 Ca 0.07 -0.40 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 2npt h ILE 74 Cb 0.72 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2npt h ILE 74 CO 0.05 0.21 -0.81 0.00 0.00 0.00 0.00 178.15 177.61 2npt h ALA 75 N 1.34 0.54 0.00 1.87 0.00 -0.93 -3.38 119.26 118.70 2npt h ALA 75 Ca 0.34 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2npt h ALA 75 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2npt h ALA 75 CO -0.09 0.81 0.00 1.19 0.00 0.00 0.00 179.25 181.16 2npt n PHE 76 N -3.78 0.00 -0.69 0.00 3.72 -0.33 -5.04 117.46 111.34 2npt n PHE 76 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2npt n PHE 76 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 2npt n PHE 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2npt n GLY 77 N 0.14 0.91 3.06 1.37 0.00 0.88 -5.02 105.19 106.52 2npt n GLY 77 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2npt n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2npt s GLN 78 N -0.28 0.52 0.06 1.61 -0.21 -1.24 -5.01 119.66 115.12 2npt s GLN 78 Ca 0.00 -1.02 -0.31 0.00 0.02 0.00 0.00 55.36 54.05 2npt s GLN 78 Cb 0.00 0.16 -0.07 0.00 1.00 0.00 0.00 33.01 34.11 2npt s GLN 78 CO 0.00 -0.09 1.35 0.45 -2.12 0.00 0.00 175.29 174.89 2npt s SER 79 N -2.44 6.89 0.07 5.90 0.15 -1.26 -4.01 113.70 119.00 2npt s SER 79 Ca -0.00 2.19 0.07 0.00 0.70 0.00 0.00 55.95 58.90 2npt s SER 79 Cb 0.02 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2npt s SER 79 CO -0.07 -0.64 -0.12 -0.04 1.20 0.00 0.00 173.24 173.57 2npt s MET 80 N 1.53 2.15 0.24 5.44 1.00 -1.26 -1.43 119.30 126.98 2npt s MET 80 Ca 0.63 -0.98 -0.30 0.00 0.00 0.00 0.00 55.69 55.04 2npt s MET 80 Cb -0.33 -2.29 -0.09 0.00 0.00 0.00 0.00 34.83 32.12 2npt s MET 80 CO 0.29 0.53 0.99 -0.51 0.00 0.00 0.00 175.02 176.31 2npt s ASP 81 N -1.87 7.54 -0.12 3.03 1.01 0.12 -4.77 116.67 121.61 2npt s ASP 81 Ca 0.19 2.03 -0.01 0.00 0.71 0.00 0.00 52.55 55.47 2npt s ASP 81 Cb -0.11 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.19 2npt s ASP 81 CO 0.10 0.06 -0.10 -0.76 0.21 0.00 0.00 175.17 174.69 2npt s LEU 82 N -1.19 2.93 -0.06 1.23 1.02 -1.26 -1.87 118.68 119.47 2npt s LEU 82 Ca 0.42 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.37 2npt s LEU 82 Cb -0.28 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.29 2npt s LEU 82 CO 0.34 0.21 -0.09 -1.00 0.02 0.00 0.00 176.35 175.83 2npt s HIS 83 N 0.12 1.25 0.30 0.29 3.76 -0.33 -0.71 115.29 119.97 2npt s HIS 83 Ca -0.04 -0.46 -0.28 0.00 -0.15 0.00 0.00 55.06 54.12 2npt s HIS 83 Cb -0.14 -0.97 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 2npt s HIS 83 CO 0.04 -0.28 1.08 -0.47 -0.85 0.00 0.00 174.74 174.26 2npt s TYR 84 N 0.87 3.54 -0.01 1.40 5.04 0.76 0.01 117.35 128.96 2npt s TYR 84 Ca -0.11 1.70 0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2npt s TYR 84 Cb -0.15 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.92 2npt s TYR 84 CO 0.01 -0.52 -0.05 -0.08 -1.34 0.00 0.00 175.55 173.57 2npt s THR 85 N -1.25 0.46 -0.13 4.34 -1.32 -0.39 -0.99 115.64 116.36 2npt s THR 85 Ca 0.47 -0.21 -0.04 0.00 -1.21 0.00 0.00 61.69 60.70 2npt s THR 85 Cb -0.30 -0.41 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 2npt s THR 85 CO 0.38 0.15 0.15 0.21 -2.21 0.00 0.00 174.62 173.29 2npt s ASN 86 N 0.09 1.39 0.98 8.08 2.47 -0.58 -4.37 114.94 123.00 2npt s ASN 86 Ca -0.01 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.18 2npt s ASN 86 Cb -0.05 0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 2npt s ASN 86 CO -0.00 -0.30 0.00 -3.20 -3.72 0.00 0.00 177.10 169.88 2npt n ASN 87 N 5.31 0.00 0.05 -4.21 5.15 -1.26 -0.99 115.26 119.31 2npt n ASN 87 Ca -0.05 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.05 2npt n ASN 87 Cb 0.50 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.88 2npt n ASN 87 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2npt n GLU 88 N 0.00 0.29 -2.83 1.20 1.02 -1.26 -4.92 120.64 114.14 2npt n GLU 88 Ca 0.00 0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2npt n GLU 88 Cb 0.00 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 2npt n GLU 88 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2npt s LEU 89 N -4.13 4.50 -0.03 -4.62 0.20 -0.16 -5.07 118.68 109.37 2npt s LEU 89 Ca 0.06 1.68 0.02 0.00 0.69 0.00 0.00 54.13 56.57 2npt s LEU 89 Cb 0.14 -3.45 0.01 0.00 -0.43 0.00 0.00 46.19 42.45 2npt s LEU 89 CO 0.74 -0.01 -0.07 -0.69 -0.29 0.00 0.00 176.35 176.03 2npt s VAL 90 N -0.14 0.65 -0.05 1.68 1.01 -1.26 -1.53 120.40 120.76 2npt s VAL 90 Ca 0.43 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2npt s VAL 90 Cb -0.22 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2npt s VAL 90 CO 0.27 0.22 0.13 -0.51 0.00 0.00 0.00 175.10 175.21 2npt s ILE 91 N 0.44 -0.03 0.42 2.22 2.07 -0.16 -4.99 121.20 121.18 2npt s ILE 91 Ca -0.06 0.10 -0.25 0.00 -1.41 0.00 0.00 60.65 59.03 2npt s ILE 91 Cb -0.10 -0.20 -0.08 0.00 0.13 0.00 0.00 42.46 42.20 2npt s ILE 91 CO 0.00 0.04 1.29 -2.84 -1.91 0.00 0.00 174.94 171.52 2npt s PRO 92 N 0.67 3.88 -0.38 3.50 0.02 -1.26 -0.17 135.00 141.26 2npt s PRO 92 Ca -0.05 2.11 -0.09 0.00 0.02 0.00 0.00 61.00 62.99 2npt s PRO 92 Cb -0.07 -2.67 0.05 0.00 0.02 0.00 0.00 34.50 31.83 2npt s PRO 92 CO -0.03 -0.55 0.20 -0.51 -0.33 0.00 0.00 177.00 175.77 2npt s LEU 93 N -2.59 4.78 -0.03 -5.54 1.43 0.11 -4.79 118.68 112.05 2npt s LEU 93 Ca 0.59 -1.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2npt s LEU 93 Cb -0.37 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 2npt s LEU 93 CO 0.47 -0.43 0.08 0.35 0.23 0.00 0.00 176.35 177.04 2npt n THR 94 N 4.91 0.18 -4.47 5.49 -2.24 -1.26 -4.48 114.28 112.40 2npt n THR 94 Ca -0.11 -0.18 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 2npt n THR 94 Cb 0.44 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 2npt n THR 94 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2npt s THR 95 N -2.28 1.86 0.25 4.28 -4.23 -1.26 -5.04 115.64 109.22 2npt s THR 95 Ca -0.02 -2.16 -0.05 0.00 -1.18 0.00 0.00 61.69 58.28 2npt s THR 95 Cb 0.03 -2.52 0.23 0.00 1.34 0.00 0.00 72.50 71.58 2npt s THR 95 CO 0.23 -0.26 1.86 -0.61 -0.54 0.00 0.00 174.62 175.30 2npt h GLN 96 N 2.19 1.01 -0.79 3.99 5.75 -2.00 -2.14 115.11 123.12 2npt h GLN 96 Ca -0.41 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.06 2npt h GLN 96 Cb 1.24 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 2npt h GLN 96 CO 0.68 0.67 0.52 0.22 -2.65 0.00 0.00 178.83 178.27 2npt h ASP 97 N 1.04 0.85 -0.56 -0.69 3.58 -1.99 -0.78 116.42 117.87 2npt h ASP 97 Ca 0.39 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2npt h ASP 97 Cb 0.14 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2npt h ASP 97 CO -0.16 0.59 0.36 0.44 -2.88 0.00 0.00 179.24 177.58 2npt h ASP 98 N 0.99 0.65 -0.26 2.28 3.32 -1.80 -1.58 116.42 120.02 2npt h ASP 98 Ca 0.31 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2npt h ASP 98 Cb 0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2npt h ASP 98 CO -0.09 0.49 -0.11 0.25 -1.72 0.00 0.00 179.24 178.06 2npt h LEU 99 N 0.75 0.55 -0.66 1.55 5.85 -1.20 -2.24 115.31 119.91 2npt h LEU 99 Ca 0.20 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.63 2npt h LEU 99 Cb -0.06 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2npt h LEU 99 CO -0.04 0.83 0.27 0.44 -0.34 0.00 0.00 178.44 179.59 2npt h ASP 100 N 0.27 0.28 -0.56 1.25 3.32 -0.96 0.16 116.42 120.19 2npt h ASP 100 Ca 0.06 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.26 2npt h ASP 100 Cb 0.61 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 2npt h ASP 100 CO 0.04 0.15 0.24 0.11 -1.72 0.00 0.00 179.24 178.06 2npt h LYS 101 N 0.45 0.44 -0.55 3.56 1.57 -1.09 -1.34 116.57 119.61 2npt h LYS 101 Ca 0.34 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 2npt h LYS 101 Cb 0.43 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2npt h LYS 101 CO -0.32 0.29 -0.05 0.00 -0.57 0.00 0.00 179.45 178.80 2npt h ALA 102 N 1.35 0.88 -0.57 3.86 0.00 -0.36 -1.94 119.26 122.48 2npt h ALA 102 Ca 0.27 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2npt h ALA 102 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2npt h ALA 102 CO -0.23 0.65 0.21 0.28 0.00 0.00 0.00 179.25 180.16 2npt h VAL 103 N 0.89 1.23 -0.25 0.00 2.07 -0.60 -1.75 116.25 117.84 2npt h VAL 103 Ca 0.15 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2npt h VAL 103 Cb 0.59 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2npt h VAL 103 CO 0.04 0.28 -0.12 -0.08 0.02 0.00 0.00 177.57 177.71 2npt h GLU 104 N 0.78 -0.08 -0.47 1.57 4.81 -1.03 0.73 114.58 120.90 2npt h GLU 104 Ca 0.19 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2npt h GLU 104 Cb 0.22 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2npt h GLU 104 CO -0.01 -0.05 0.11 -0.07 -0.73 0.00 0.00 179.01 178.26 2npt h LEU 105 N -0.08 0.05 -0.72 1.64 3.38 -1.23 -1.56 115.31 116.78 2npt h LEU 105 Ca 0.13 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2npt h LEU 105 Cb 0.28 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2npt h LEU 105 CO -0.30 0.06 0.47 0.25 0.09 0.00 0.00 178.44 179.00 2npt h LEU 106 N 0.25 0.79 -1.28 1.67 5.85 -0.76 -2.00 115.31 119.83 2npt h LEU 106 Ca 0.23 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2npt h LEU 106 Cb 0.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2npt h LEU 106 CO -0.28 0.56 -0.31 0.44 -0.34 0.00 0.00 178.44 178.50 2npt h ASP 107 N 0.93 0.00 0.30 1.25 3.32 -0.15 -2.65 116.42 119.43 2npt h ASP 107 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2npt h ASP 107 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2npt h ASP 107 CO -0.08 0.31 -0.49 0.54 -1.72 0.00 0.00 179.24 177.80 2npt n ARG 108 N -3.75 0.37 -3.06 3.56 1.74 -0.66 -4.80 116.66 110.07 2npt n ARG 108 Ca -0.01 -0.24 -0.45 0.00 -0.77 0.00 0.00 57.85 56.38 2npt n ARG 108 Cb 0.41 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.33 2npt n ARG 108 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2npt s SER 109 N -2.80 6.63 0.53 0.55 0.15 -0.77 -4.89 113.70 113.10 2npt s SER 109 Ca 0.15 -2.18 0.26 0.00 0.70 0.00 0.00 55.95 54.88 2npt s SER 109 Cb 0.18 -2.34 1.39 0.00 -1.71 0.00 0.00 66.02 63.54 2npt s SER 109 CO 0.66 -0.93 1.76 0.16 1.20 0.00 0.00 173.24 176.08 2npt h ILE 110 N 5.53 0.00 0.00 6.45 3.07 -1.87 -1.92 117.51 128.76 2npt h ILE 110 Ca 0.11 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.52 2npt h ILE 110 Cb 1.03 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 2npt h ILE 110 CO 1.00 0.00 -0.81 0.00 -1.05 0.00 0.00 178.15 177.29 2npt n HIS 111 N -2.59 0.02 -5.11 0.16 1.44 -1.26 -4.91 115.22 102.95 2npt n HIS 111 Ca -0.02 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.38 2npt n HIS 111 Cb 0.30 -0.13 -0.15 0.00 0.12 0.00 0.00 29.99 30.12 2npt n HIS 111 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2npt s MET 112 N -3.02 2.62 0.00 -1.40 -1.94 -0.72 -5.00 119.30 109.84 2npt s MET 112 Ca 0.09 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2npt s MET 112 Cb 0.16 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 2npt s MET 112 CO 0.80 0.43 0.30 1.63 -0.01 0.00 0.00 175.02 178.16 2npt n LYS 113 N 2.84 3.44 -4.01 2.03 4.76 -1.26 -4.84 118.16 121.11 2npt n LYS 113 Ca -0.17 -0.27 -0.08 0.00 -2.87 0.00 0.00 58.31 54.92 2npt n LYS 113 Cb 0.52 -0.79 -0.10 0.00 -1.84 0.00 0.00 35.03 32.82 2npt n LYS 113 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2npt s SER 114 N -0.82 0.33 -0.33 4.39 1.04 -1.26 -4.67 113.70 112.39 2npt s SER 114 Ca 0.02 -0.72 -0.21 0.00 0.48 0.00 0.00 55.95 55.51 2npt s SER 114 Cb 0.02 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2npt s SER 114 CO 0.07 -0.49 0.66 -0.22 0.98 0.00 0.00 173.24 174.25 2npt s LEU 115 N -2.27 4.17 -0.26 2.42 2.96 0.64 -4.87 118.68 121.48 2npt s LEU 115 Ca -0.03 0.35 -0.18 0.00 -0.22 0.00 0.00 54.13 54.05 2npt s LEU 115 Cb 0.00 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.81 2npt s LEU 115 CO -0.06 -0.55 0.53 -0.54 -1.32 0.00 0.00 176.35 174.40 2npt s LYS 116 N 2.72 4.08 -0.17 1.98 1.02 -1.26 -0.73 119.74 127.39 2npt s LYS 116 Ca 0.26 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.61 2npt s LYS 116 Cb -0.15 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.55 2npt s LYS 116 CO 0.13 -0.34 -0.12 0.42 -0.92 0.00 0.00 175.35 174.52 2npt s ILE 117 N 2.28 1.56 -0.06 2.17 -1.09 -0.15 -1.26 121.20 124.64 2npt s ILE 117 Ca 0.22 -0.77 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 2npt s ILE 117 Cb -0.16 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2npt s ILE 117 CO 0.09 0.32 0.57 -0.22 -1.23 0.00 0.00 174.94 174.47 2npt s LEU 118 N 1.47 4.35 -0.17 2.97 2.96 0.10 -0.94 118.68 129.41 2npt s LEU 118 Ca 0.02 1.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 2npt s LEU 118 Cb -0.14 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 2npt s LEU 118 CO -0.09 0.03 0.01 -0.76 -1.32 0.00 0.00 176.35 174.21 2npt s LEU 119 N 0.27 3.47 -0.05 -0.68 1.43 0.23 -1.19 118.68 122.17 2npt s LEU 119 Ca 0.30 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 2npt s LEU 119 Cb -0.17 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2npt s LEU 119 CO 0.15 0.15 -0.20 -0.69 0.23 0.00 0.00 176.35 175.99 2npt s VAL 120 N 0.48 1.61 0.13 -1.59 1.01 -0.78 -4.63 120.40 116.62 2npt s VAL 120 Ca -0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 2npt s VAL 120 Cb -0.14 -1.38 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 2npt s VAL 120 CO 0.02 0.46 1.79 -0.63 0.00 0.00 0.00 175.10 176.74 2npt s ILE 121 N -0.06 2.55 0.00 2.22 1.01 -1.26 0.15 121.20 125.82 2npt s ILE 121 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2npt s ILE 121 Cb -0.12 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2npt s ILE 121 CO 0.02 0.00 0.00 0.59 0.00 0.00 0.00 174.94 175.55