#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dip s SER 2 N 0.00 -0.31 0.00 1.61 0.15 -1.26 -5.08 113.70 108.81 2dip s SER 2 Ca 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dip s SER 2 Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2dip s SER 2 CO 0.00 -0.94 0.00 -1.20 1.20 0.00 0.00 173.24 172.30 2dip n SER 3 N -0.39 0.94 0.00 5.45 7.64 -1.26 -5.16 113.62 120.84 2dip n SER 3 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dip n SER 3 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2dip n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dip n GLY 4 N 2.24 0.43 3.60 0.23 0.00 -1.26 -5.05 105.19 105.38 2dip n GLY 4 Ca 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 2dip n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dip s SER 5 N -4.00 -0.24 -0.00 1.61 1.04 -1.26 -5.17 113.70 105.68 2dip s SER 5 Ca 0.00 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.70 2dip s SER 5 Cb 0.00 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2dip s SER 5 CO 0.00 -0.24 -0.12 -0.44 0.98 0.00 0.00 173.24 173.43 2dip s SER 6 N -1.20 1.35 0.00 7.02 0.01 -1.26 -5.15 113.70 114.47 2dip s SER 6 Ca 0.03 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2dip s SER 6 Cb -0.01 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2dip s SER 6 CO -0.03 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.36 2dip n GLY 7 N 2.69 4.69 3.12 3.44 0.00 -1.26 -5.15 105.19 112.72 2dip n GLY 7 Ca -0.14 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 2dip n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dip s LEU 8 N 0.00 2.04 -0.29 0.99 1.02 -1.26 -5.13 118.68 116.05 2dip s LEU 8 Ca 0.00 -0.28 -0.13 0.00 0.02 0.00 0.00 54.13 53.74 2dip s LEU 8 Cb 0.00 -0.75 0.12 0.00 0.02 0.00 0.00 46.19 45.57 2dip s LEU 8 CO 0.00 0.17 0.72 -1.61 0.02 0.00 0.00 176.35 175.65 2dip s GLU 9 N -0.41 0.58 -0.13 1.70 0.41 -1.26 -5.17 118.70 114.42 2dip s GLU 9 Ca 0.05 1.25 -0.12 0.00 -0.41 0.00 0.00 54.97 55.74 2dip s GLU 9 Cb -0.06 0.53 0.03 0.00 -1.78 0.00 0.00 34.13 32.85 2dip s GLU 9 CO -0.00 -0.16 0.35 -1.21 -0.49 0.00 0.00 175.26 173.74 2dip s GLU 10 N 2.32 0.43 0.10 1.61 0.41 -1.26 -5.17 118.70 117.14 2dip s GLU 10 Ca -0.07 0.45 0.08 0.00 -0.41 0.00 0.00 54.97 55.02 2dip s GLU 10 Cb -0.08 0.21 -0.04 0.00 -1.78 0.00 0.00 34.13 32.43 2dip s GLU 10 CO -0.19 -0.06 -0.14 -0.59 -0.49 0.00 0.00 175.26 173.79 2dip s PHE 11 N 0.10 2.64 0.06 1.61 -0.71 -1.26 -5.13 117.98 115.29 2dip s PHE 11 Ca -0.01 -0.21 -0.18 0.00 -1.04 0.00 0.00 56.93 55.49 2dip s PHE 11 Cb -0.03 -1.41 0.04 0.00 -1.21 0.00 0.00 43.02 40.41 2dip s PHE 11 CO 0.01 0.39 0.42 0.21 -1.34 0.00 0.00 175.22 174.91 2dip s LYS 12 N -2.05 0.97 0.81 1.99 2.20 -1.26 -5.18 119.74 117.22 2dip s LYS 12 Ca 0.19 -0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 55.29 2dip s LYS 12 Cb -0.11 0.43 0.12 0.00 -1.51 0.00 0.00 37.83 36.76 2dip s LYS 12 CO 0.11 -0.34 1.14 -0.80 -0.36 0.00 0.00 175.35 175.09 2dip s ASN 13 N -2.16 4.16 -0.28 1.43 -0.87 -1.26 -5.11 114.94 110.85 2dip s ASN 13 Ca -0.04 0.34 -0.23 0.00 -1.57 0.00 0.00 52.86 51.36 2dip s ASN 13 Cb -0.00 -0.73 0.11 0.00 -0.02 0.00 0.00 41.25 40.61 2dip s ASN 13 CO -0.04 -2.05 0.93 -0.44 -2.57 0.00 0.00 177.10 172.94 2dip s SER 14 N -4.68 -0.56 -0.21 -1.22 0.01 -1.26 -5.18 113.70 100.61 2dip s SER 14 Ca 0.66 1.03 -0.31 0.00 1.31 0.00 0.00 55.95 58.63 2dip s SER 14 Cb -0.08 1.09 0.15 0.00 0.21 0.00 0.00 66.02 67.39 2dip s SER 14 CO 0.48 -0.17 1.19 -0.55 0.41 0.00 0.00 173.24 174.60 2dip s SER 15 N 0.55 -0.17 -0.51 2.44 0.15 -1.26 -5.12 113.70 109.77 2dip s SER 15 Ca -0.00 0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.81 2dip s SER 15 Cb -0.05 0.16 0.13 0.00 -1.71 0.00 0.00 66.02 64.55 2dip s SER 15 CO -0.07 -0.20 0.26 -0.54 1.20 0.00 0.00 173.24 173.88 2dip s LYS 16 N -1.55 2.01 -1.25 5.44 -0.14 -1.26 -5.01 119.74 117.97 2dip s LYS 16 Ca 0.06 -2.53 -0.10 0.00 -1.36 0.00 0.00 55.97 52.03 2dip s LYS 16 Cb -0.01 -3.37 0.17 0.00 -1.68 0.00 0.00 37.83 32.95 2dip s LYS 16 CO -0.04 -1.10 1.74 1.28 -0.76 0.00 0.00 175.35 176.46 2dip n LEU 17 N 3.28 6.23 -4.02 3.17 4.32 -1.26 -4.94 117.00 123.79 2dip n LEU 17 Ca 0.05 -4.61 -0.24 0.00 -0.02 0.00 0.00 56.01 51.20 2dip n LEU 17 Cb 0.34 -1.51 -0.16 0.00 -1.62 0.00 0.00 43.42 40.46 2dip n LEU 17 CO 0.33 1.20 -0.46 0.68 -1.22 0.00 0.00 177.39 177.92 2dip s VAL 18 N 0.63 1.05 0.18 4.08 -7.23 -1.26 -5.14 120.40 112.71 2dip s VAL 18 Ca 0.40 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.14 2dip s VAL 18 Cb 0.06 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 2dip s VAL 18 CO 0.01 0.33 0.01 0.00 -0.31 0.00 0.00 175.10 175.14 2dip s ALA 19 N 0.59 1.39 0.30 1.32 0.00 -1.26 -5.18 121.76 118.92 2dip s ALA 19 Ca -0.12 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.24 2dip s ALA 19 Cb -0.15 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2dip s ALA 19 CO 0.03 -0.34 0.16 0.00 0.00 0.00 0.00 175.76 175.61 2dip s ALA 20 N -3.67 1.91 -0.12 0.00 0.00 -1.26 -5.15 121.76 113.46 2dip s ALA 20 Ca 0.26 -1.77 -0.00 0.00 0.00 0.00 0.00 51.96 50.45 2dip s ALA 20 Cb 0.06 1.17 0.03 0.00 0.00 0.00 0.00 23.12 24.38 2dip s ALA 20 CO 0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 175.76 175.22 2dip s ALA 21 N -3.63 1.37 -0.28 0.00 0.00 -1.26 -5.11 121.76 112.85 2dip s ALA 21 Ca 0.36 -0.60 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 2dip s ALA 21 Cb 0.05 -0.95 0.09 0.00 0.00 0.00 0.00 23.12 22.31 2dip s ALA 21 CO 0.17 -0.46 0.74 -1.83 0.00 0.00 0.00 175.76 174.38 2dip s GLU 22 N 1.69 0.70 0.05 0.00 1.03 -1.26 -5.18 118.70 115.73 2dip s GLU 22 Ca 0.04 1.08 -0.06 0.00 0.03 0.00 0.00 54.97 56.07 2dip s GLU 22 Cb -0.13 0.21 -0.01 0.00 -0.80 0.00 0.00 34.13 33.40 2dip s GLU 22 CO -0.08 -0.13 0.10 0.15 -1.33 0.00 0.00 175.26 173.98 2dip s LYS 23 N 1.21 0.64 -0.04 -4.83 3.01 -1.26 -5.17 119.74 113.29 2dip s LYS 23 Ca -0.07 -0.83 -0.12 0.00 -1.01 0.00 0.00 55.97 53.94 2dip s LYS 23 Cb -0.05 0.25 0.02 0.00 -1.01 0.00 0.00 37.83 37.04 2dip s LYS 23 CO -0.13 -0.17 0.28 -1.83 0.51 0.00 0.00 175.35 174.01 2dip s GLU 24 N -2.94 0.55 -0.55 1.68 -1.05 -1.26 -5.09 118.70 110.03 2dip s GLU 24 Ca -0.02 -0.04 -0.26 0.00 -0.15 0.00 0.00 54.97 54.50 2dip s GLU 24 Cb 0.01 0.24 -0.07 0.00 -0.44 0.00 0.00 34.13 33.87 2dip s GLU 24 CO -0.06 -0.13 2.33 0.50 0.95 0.00 0.00 175.26 178.85 2dip s ARG 25 N -0.89 2.11 -0.36 -4.83 6.06 -1.26 -4.79 118.95 114.99 2dip s ARG 25 Ca -0.10 1.16 0.06 0.00 -2.50 0.00 0.00 55.73 54.35 2dip s ARG 25 Cb -0.05 -4.59 0.44 0.00 0.06 0.00 0.00 34.95 30.81 2dip s ARG 25 CO 0.03 -3.35 1.18 1.47 -2.50 0.00 0.00 175.30 172.12 2dip n LEU 26 N 15.80 4.90 -3.66 -0.88 -0.00 -1.26 -4.99 117.00 126.90 2dip n LEU 26 Ca 0.36 -4.94 -0.09 0.00 -0.00 0.00 0.00 56.01 51.33 2dip n LEU 26 Cb 0.53 -0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 43.46 2dip n LEU 26 CO 0.69 2.15 0.25 -0.62 -0.00 0.00 0.00 177.39 179.86 2dip s ASP 27 N -3.53 -0.76 0.27 1.45 -1.08 -1.26 -5.04 116.67 106.72 2dip s ASP 27 Ca 0.50 1.28 -0.02 0.00 -0.52 0.00 0.00 52.55 53.79 2dip s ASP 27 Cb 0.41 1.18 0.43 0.00 -1.46 0.00 0.00 42.92 43.48 2dip s ASP 27 CO -0.06 -0.22 1.88 0.50 0.52 0.00 0.00 175.17 177.78 2dip h LYS 28 N 6.70 1.12 -5.61 4.34 3.11 -2.04 -3.37 116.57 120.83 2dip h LYS 28 Ca -0.32 -0.07 -0.24 0.00 -2.81 0.00 0.00 60.65 57.22 2dip h LYS 28 Cb 1.20 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 32.16 2dip h LYS 28 CO 0.19 0.74 0.66 -1.58 -2.81 0.00 0.00 179.45 176.65 2dip s HIS 29 N -6.02 1.46 -0.15 1.91 2.46 -1.26 -4.72 115.29 108.98 2dip s HIS 29 Ca -0.12 1.25 -0.09 0.00 0.47 0.00 0.00 55.06 56.56 2dip s HIS 29 Cb 0.21 -3.78 -0.24 0.00 -0.13 0.00 0.00 32.58 28.63 2dip s HIS 29 CO 0.81 -1.84 0.29 1.28 -2.47 0.00 0.00 174.74 172.82 2dip n LEU 30 N 15.74 2.51 0.00 8.88 4.77 -1.26 -4.50 117.00 143.14 2dip n LEU 30 Ca 0.40 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 2dip n LEU 30 Cb 0.47 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2dip n LEU 30 CO 0.60 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 2dip n GLY 31 N 1.90 1.21 2.94 -0.72 0.00 -1.26 -4.40 105.19 104.86 2dip n GLY 31 Ca -0.33 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2dip n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dip s ILE 32 N 0.00 -0.01 1.01 -0.61 1.01 -1.26 -5.13 121.20 116.20 2dip s ILE 32 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 2dip s ILE 32 Cb 0.00 -0.14 0.19 0.00 0.01 0.00 0.00 42.46 42.53 2dip s ILE 32 CO 0.00 0.02 1.09 -2.16 0.00 0.00 0.00 174.94 173.89 2dip s PRO 33 N 0.27 0.34 0.46 2.79 0.04 -1.26 -4.73 135.00 132.91 2dip s PRO 33 Ca -0.02 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 2dip s PRO 33 Cb -0.03 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 2dip s PRO 33 CO -0.01 -2.79 0.84 0.00 0.04 0.00 0.00 177.00 175.09 2dip n ASN 35 N -1.71 0.39 0.00 0.00 3.02 0.10 -3.38 115.26 113.68 2dip n ASN 35 Ca 0.03 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2dip n ASN 35 Cb 0.54 0.56 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2dip n ASN 36 N -2.88 0.00 0.16 6.41 5.15 -1.26 -4.49 115.26 118.34 2dip n ASN 36 Ca -0.28 0.19 0.01 0.00 -0.60 0.00 0.00 54.58 53.91 2dip n ASN 36 Cb 1.12 -0.24 0.23 0.00 -0.53 0.00 0.00 39.78 40.36 2dip n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dip n LYS 38 N -3.70 -4.42 -2.69 0.00 4.76 -1.22 -4.97 118.16 105.92 2dip n LYS 38 Ca -0.01 0.48 -0.43 0.00 -2.87 0.00 0.00 58.31 55.48 2dip n LYS 38 Cb 0.58 -4.44 -0.02 0.00 -1.84 0.00 0.00 35.03 29.31 2dip n LYS 38 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2dip s GLN 39 N -5.55 4.30 -0.12 1.97 0.74 -1.26 -4.69 119.66 115.04 2dip s GLN 39 Ca 0.27 1.33 -0.05 0.00 0.05 0.00 0.00 55.36 56.95 2dip s GLN 39 Cb -0.12 -3.61 0.06 0.00 1.10 0.00 0.00 33.01 30.44 2dip s GLN 39 CO 0.42 -0.53 0.27 0.12 -0.55 0.00 0.00 175.29 175.01 2dip s PHE 40 N 2.84 -0.41 0.91 1.67 5.36 -1.26 -3.20 117.98 123.90 2dip s PHE 40 Ca 0.44 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 57.24 2dip s PHE 40 Cb -0.16 0.01 0.14 0.00 -0.34 0.00 0.00 43.02 42.67 2dip s PHE 40 CO 0.09 -0.32 1.09 -1.25 -1.46 0.00 0.00 175.22 173.38 2dip s PRO 41 N 2.02 1.11 -0.48 10.12 0.04 -1.26 -4.77 135.00 141.77 2dip s PRO 41 Ca -0.03 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.57 2dip s PRO 41 Cb -0.11 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.67 2dip s PRO 41 CO -0.09 -2.33 0.66 0.42 0.04 0.00 0.00 177.00 175.70 2dip s ILE 42 N -2.94 4.80 0.05 0.56 1.01 -1.23 -4.95 121.20 118.51 2dip s ILE 42 Ca 0.64 -0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.85 2dip s ILE 42 Cb -0.18 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.83 2dip s ILE 42 CO 0.57 -0.73 1.51 -0.33 0.00 0.00 0.00 174.94 175.96 2dip h GLU 43 N 8.97 -0.88 0.00 2.79 5.08 -1.94 -3.45 114.58 125.15 2dip h GLU 43 Ca -0.26 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2dip h GLU 43 Cb 1.09 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dip h GLU 43 CO 0.94 -0.57 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 2dip n GLY 44 N -1.26 -2.89 3.29 -3.84 0.00 -1.26 -5.00 105.19 94.23 2dip n GLY 44 Ca -0.13 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 2dip n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dip n LYS 45 N -1.64 -3.63 -3.95 1.61 4.76 -1.26 -4.71 118.16 109.34 2dip n LYS 45 Ca 0.00 -1.06 -0.30 0.00 -2.87 0.00 0.00 58.31 54.08 2dip n LYS 45 Cb 0.00 -1.95 -0.14 0.00 -1.84 0.00 0.00 35.03 31.10 2dip n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dip s TYR 47 N 0.21 3.48 -0.02 0.00 1.51 0.26 -3.39 117.35 119.39 2dip s TYR 47 Ca 0.15 1.39 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2dip s TYR 47 Cb -0.23 -2.65 0.01 0.00 -0.11 0.00 0.00 41.96 38.98 2dip s TYR 47 CO -0.03 0.14 0.05 0.21 -1.11 0.00 0.00 175.55 174.81 2dip s LYS 48 N -2.63 0.03 -0.17 -0.62 2.20 -0.88 -0.10 119.74 117.58 2dip s LYS 48 Ca 0.52 0.13 -0.24 0.00 -0.36 0.00 0.00 55.97 56.01 2dip s LYS 48 Cb -0.13 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 2dip s LYS 48 CO 0.18 -0.06 0.78 0.00 -0.36 0.00 0.00 175.35 175.89 2dip n THR 50 N 4.65 0.20 -0.01 0.00 -2.24 -0.04 -3.65 114.28 113.19 2dip n THR 50 Ca 0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2dip n THR 50 Cb 0.49 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2dip n THR 50 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dip n GLU 51 N 0.07 1.64 -2.88 -0.78 1.02 -1.26 -4.96 120.64 113.49 2dip n GLU 51 Ca 0.14 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 2dip n GLU 51 Cb 0.25 -1.09 0.08 0.00 -0.02 0.00 0.00 31.44 30.65 2dip n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dip s ILE 53 N -2.65 2.91 -1.76 0.00 1.01 -1.26 -4.67 121.20 114.78 2dip s ILE 53 Ca 0.61 -0.77 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 2dip s ILE 53 Cb -0.05 -2.13 0.17 0.00 0.01 0.00 0.00 42.46 40.46 2dip s ILE 53 CO 0.39 0.58 0.43 -0.62 0.00 0.00 0.00 174.94 175.72 2dip n GLU 54 N 2.45 -0.78 -5.03 2.79 1.02 -1.26 -4.90 120.64 114.93 2dip n GLU 54 Ca -0.17 0.12 -0.32 0.00 -0.02 0.00 0.00 57.16 56.77 2dip n GLU 54 Cb 0.52 -4.32 -0.16 0.00 -0.02 0.00 0.00 31.44 27.46 2dip n GLU 54 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2dip s TYR 55 N -3.52 2.65 -0.13 -0.32 6.14 -1.26 -4.97 117.35 115.94 2dip s TYR 55 Ca 0.60 -0.77 -0.10 0.00 0.64 0.00 0.00 57.07 57.44 2dip s TYR 55 Cb -0.35 -1.74 0.04 0.00 0.42 0.00 0.00 41.96 40.33 2dip s TYR 55 CO 1.00 -0.26 0.33 -1.01 0.64 0.00 0.00 175.55 176.25 2dip s HIS 56 N 0.18 -0.40 0.31 4.97 3.76 -1.26 -2.39 115.29 120.45 2dip s HIS 56 Ca -0.11 0.94 0.09 0.00 -0.15 0.00 0.00 55.06 55.83 2dip s HIS 56 Cb -0.16 0.14 -0.05 0.00 1.11 0.00 0.00 32.58 33.62 2dip s HIS 56 CO 0.06 -0.21 0.03 -0.51 -0.85 0.00 0.00 174.74 173.26 2dip s LEU 57 N 0.58 3.12 0.06 0.89 1.43 0.86 0.00 118.68 125.62 2dip s LEU 57 Ca -0.03 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 2dip s LEU 57 Cb -0.05 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2dip s LEU 57 CO -0.03 -0.14 -0.03 0.00 0.23 0.00 0.00 176.35 176.38 2dip n GLN 59 N 0.91 -0.05 0.36 0.00 -0.06 -1.21 0.28 117.38 117.61 2dip n GLN 59 Ca -0.13 0.98 -0.15 0.00 -2.00 0.00 0.00 57.00 55.70 2dip n GLN 59 Cb 0.52 -1.63 -0.07 0.00 -4.06 0.00 0.00 30.24 25.00 2dip n GLN 59 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2dip h GLU 60 N 0.00 -0.91 -0.71 3.69 4.57 -1.94 -2.52 114.58 116.76 2dip h GLU 60 Ca 0.48 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.88 2dip h GLU 60 Cb 1.13 0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 2dip h GLU 60 CO -0.58 -0.61 0.48 0.00 -1.18 0.00 0.00 179.01 177.12 2dip h PHE 62 N 0.29 0.97 -0.40 0.00 3.57 -0.52 -0.93 116.94 119.91 2dip h PHE 62 Ca 0.35 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.99 2dip h PHE 62 Cb 0.95 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2dip h PHE 62 CO -0.00 0.55 0.49 0.22 -2.23 0.00 0.00 178.31 177.34 2dip h ASP 63 N 1.00 0.00 -0.53 0.41 3.58 -0.65 0.18 116.42 120.40 2dip h ASP 63 Ca 0.33 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2dip h ASP 63 Cb 0.03 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2dip h ASP 63 CO -0.12 0.00 0.35 0.28 -2.88 0.00 0.00 179.24 176.87 2dip h SER 64 N 0.00 0.60 -5.22 2.28 0.02 -1.25 -3.47 113.55 106.52 2dip h SER 64 Ca 0.19 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 60.87 2dip h SER 64 Cb 1.17 -0.15 0.16 0.00 0.14 0.00 0.00 62.40 63.73 2dip h SER 64 CO -0.00 0.43 -0.72 -1.22 -1.14 0.00 0.00 176.83 174.18 2dip n TYR 65 N -4.46 -2.07 0.02 3.45 4.02 0.61 -4.97 117.16 113.76 2dip n TYR 65 Ca 0.05 0.80 -0.00 0.00 -0.01 0.00 0.00 57.90 58.74 2dip n TYR 65 Cb 0.06 -4.36 -0.00 0.00 -0.02 0.00 0.00 39.34 35.02 2dip n TYR 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dip n HIS 67 N -2.98 0.20 -0.45 0.00 -0.00 -1.26 -2.79 115.22 107.95 2dip n HIS 67 Ca -0.00 0.11 0.38 0.00 -0.00 0.00 0.00 57.72 58.20 2dip n HIS 67 Cb 0.01 -0.63 0.66 0.00 -0.00 0.00 0.00 29.99 30.03 2dip n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dip h LEU 68 N 0.00 0.23 -1.10 0.27 3.38 -1.95 0.16 115.31 116.30 2dip h LEU 68 Ca 0.00 0.15 0.38 0.00 0.09 0.00 0.00 57.88 58.51 2dip h LEU 68 Cb 0.10 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 2dip h LEU 68 CO 0.00 -0.23 0.70 -1.20 0.09 0.00 0.00 178.44 177.80 2dip n SER 69 N -4.75 0.18 -4.98 -0.43 7.64 -1.12 -4.28 113.62 105.87 2dip n SER 69 Ca 0.39 1.13 -0.20 0.00 1.01 0.00 0.00 58.87 61.20 2dip n SER 69 Cb 1.48 -0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 64.12 2dip n SER 69 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2dip s HIS 70 N -4.94 3.15 -0.52 1.43 3.76 0.55 -5.05 115.29 113.67 2dip s HIS 70 Ca -0.06 -0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.46 2dip s HIS 70 Cb 0.25 -2.06 0.03 0.00 1.11 0.00 0.00 32.58 31.91 2dip s HIS 70 CO 0.66 -0.08 1.19 0.99 -0.85 0.00 0.00 174.74 176.64 2dip s THR 71 N -2.26 4.09 0.36 1.30 2.01 -1.26 -4.98 115.64 114.90 2dip s THR 71 Ca 0.45 1.05 0.07 0.00 0.31 0.00 0.00 61.69 63.58 2dip s THR 71 Cb -0.10 -4.63 -0.02 0.00 0.01 0.00 0.00 72.50 67.76 2dip s THR 71 CO 0.33 -1.15 0.35 -0.36 -0.69 0.00 0.00 174.62 173.09 2dip s PHE 72 N 4.79 2.88 -0.14 4.92 0.40 -1.26 -0.86 117.98 128.70 2dip s PHE 72 Ca 0.47 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 56.29 2dip s PHE 72 Cb -0.08 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.56 2dip s PHE 72 CO 0.29 0.05 0.45 0.95 0.70 0.00 0.00 175.22 177.67 2dip s THR 73 N -2.33 0.01 -0.09 0.64 -4.23 -0.93 -4.28 115.64 104.43 2dip s THR 73 Ca 0.44 -0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.85 2dip s THR 73 Cb -0.06 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 2dip s THR 73 CO 0.28 -0.04 0.04 0.72 -0.54 0.00 0.00 174.62 175.08 2dip s PHE 74 N -0.06 3.28 -0.02 3.99 -0.12 -0.96 -2.08 117.98 122.01 2dip s PHE 74 Ca -0.03 0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 57.13 2dip s PHE 74 Cb -0.03 -1.82 -0.04 0.00 -0.63 0.00 0.00 43.02 40.50 2dip s PHE 74 CO 0.02 0.54 0.06 -0.98 -0.05 0.00 0.00 175.22 174.81 2dip s ARG 75 N -0.97 3.03 0.65 1.99 1.04 -1.22 0.12 118.95 123.59 2dip s ARG 75 Ca 0.14 -0.47 -0.07 0.00 -1.04 0.00 0.00 55.73 54.29 2dip s ARG 75 Cb -0.12 -2.84 0.03 0.00 -2.04 0.00 0.00 34.95 29.99 2dip s ARG 75 CO 0.03 0.66 0.97 -1.21 -0.04 0.00 0.00 175.30 175.72 2dip s GLU 76 N -1.53 2.57 1.02 3.89 2.02 -1.24 -4.49 118.70 120.95 2dip s GLU 76 Ca 0.20 -0.08 -0.17 0.00 0.02 0.00 0.00 54.97 54.94 2dip s GLU 76 Cb -0.12 -2.20 -0.00 0.00 0.10 0.00 0.00 34.13 31.91 2dip s GLU 76 CO 0.11 -0.99 -0.18 0.36 0.02 0.00 0.00 175.26 174.59 2dip n LYS 77 N -2.78 -0.63 -0.91 1.61 2.85 -1.26 -4.61 118.16 112.42 2dip n LYS 77 Ca 0.06 -0.16 -0.32 0.00 -1.05 0.00 0.00 58.31 56.84 2dip n LYS 77 Cb 0.59 -1.55 0.03 0.00 -0.65 0.00 0.00 35.03 33.44 2dip n LYS 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2dip n ARG 78 N -0.59 0.00 -3.05 -1.58 5.12 -1.26 -2.84 116.66 112.46 2dip n ARG 78 Ca 0.02 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.75 2dip n ARG 78 Cb 0.60 -0.87 0.04 0.00 -1.16 0.00 0.00 32.46 31.07 2dip n ARG 78 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2dip n ASN 79 N 2.83 -5.47 -2.42 0.55 3.02 -1.26 -4.99 115.26 107.52 2dip n ASN 79 Ca 0.00 -0.30 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 2dip n ASN 79 Cb 0.47 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.36 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dip n GLN 80 N -3.72 0.42 -4.25 3.52 1.13 -1.13 -5.12 117.38 108.22 2dip n GLN 80 Ca -0.06 -2.04 -0.14 0.00 -1.94 0.00 0.00 57.00 52.81 2dip n GLN 80 Cb 0.59 1.86 -0.10 0.00 0.11 0.00 0.00 30.24 32.70 2dip n GLN 80 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2dip s LYS 81 N -2.67 1.12 1.10 -1.09 -0.14 -1.26 -4.88 119.74 111.91 2dip s LYS 81 Ca 0.22 -1.52 -0.19 0.00 -1.36 0.00 0.00 55.97 53.12 2dip s LYS 81 Cb -0.00 -0.42 0.07 0.00 -1.68 0.00 0.00 37.83 35.79 2dip s LYS 81 CO 0.16 -0.06 -0.15 0.91 -0.76 0.00 0.00 175.35 175.45 2dip n TRP 82 N -0.25 -1.44 -3.97 3.18 7.02 -1.26 -3.61 117.44 117.10 2dip n TRP 82 Ca -0.08 0.20 -0.09 0.00 -1.02 0.00 0.00 57.50 56.51 2dip n TRP 82 Cb 0.62 -1.55 -0.10 0.00 -2.42 0.00 0.00 31.31 27.86 2dip n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2dip s ARG 83 N -3.29 0.47 -0.51 -0.99 1.81 0.32 -4.85 118.95 111.91 2dip s ARG 83 Ca 0.54 -0.73 -0.20 0.00 -1.72 0.00 0.00 55.73 53.61 2dip s ARG 83 Cb -0.10 0.18 0.05 0.00 -0.45 0.00 0.00 34.95 34.63 2dip s ARG 83 CO 0.66 -0.10 0.69 -1.54 -0.68 0.00 0.00 175.30 174.33 2dip s SER 84 N -1.91 6.25 0.75 0.23 1.04 -1.26 -2.26 113.70 116.54 2dip s SER 84 Ca -0.09 -0.76 -0.15 0.00 0.48 0.00 0.00 55.95 55.43 2dip s SER 84 Cb -0.04 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.78 2dip s SER 84 CO -0.03 -0.94 0.98 0.18 0.98 0.00 0.00 173.24 174.41 2dip n LEU 85 N 6.42 3.50 -4.68 2.42 4.77 -1.26 -4.94 117.00 123.24 2dip n LEU 85 Ca -0.05 0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 2dip n LEU 85 Cb 0.46 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 2dip n LEU 85 CO 0.56 -2.05 0.64 -1.61 -1.33 0.00 0.00 177.39 173.60 2dip s GLU 86 N -3.48 4.33 0.11 3.23 2.02 -1.26 -4.98 118.70 118.66 2dip s GLU 86 Ca 0.73 1.09 -0.35 0.00 0.02 0.00 0.00 54.97 56.45 2dip s GLU 86 Cb -0.33 -3.56 -0.17 0.00 0.10 0.00 0.00 34.13 30.17 2dip s GLU 86 CO 0.51 -0.31 1.22 0.36 0.02 0.00 0.00 175.26 177.07 2dip n LYS 87 N 5.11 0.98 -3.75 1.61 0.00 -1.26 -4.97 118.16 115.88 2dip n LYS 87 Ca 0.05 0.35 -0.13 0.00 -0.00 0.00 0.00 58.31 58.58 2dip n LYS 87 Cb 0.49 -1.91 -0.10 0.00 -0.00 0.00 0.00 35.03 33.52 2dip n LYS 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dip s ARG 88 N 0.07 0.54 0.22 -1.58 1.81 -1.26 -5.07 118.95 113.67 2dip s ARG 88 Ca 0.81 0.24 0.00 0.00 -1.72 0.00 0.00 55.73 55.06 2dip s ARG 88 Cb -0.95 0.25 0.00 0.00 -0.45 0.00 0.00 34.95 33.80 2dip s ARG 88 CO 0.50 -0.11 0.00 0.00 -0.68 0.00 0.00 175.30 175.01 2dip n ALA 89 N 2.22 3.00 -2.93 2.13 0.00 -1.26 -5.09 120.51 118.58 2dip n ALA 89 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2dip n ALA 89 Cb 0.57 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 2dip n ALA 89 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2dip s ASP 90 N -5.36 -0.17 0.08 0.00 1.47 -1.26 -5.07 116.67 106.35 2dip s ASP 90 Ca 0.00 -0.36 -0.34 0.00 1.18 0.00 0.00 52.55 53.03 2dip s ASP 90 Cb 0.00 0.45 -0.17 0.00 -0.34 0.00 0.00 42.92 42.86 2dip s ASP 90 CO 0.00 -0.82 1.60 -0.08 0.68 0.00 0.00 175.17 176.55 2dip h GLU 91 N 2.47 -0.91 -4.39 2.11 4.81 -2.01 -3.45 114.58 113.20 2dip h GLU 91 Ca -0.34 0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 58.76 2dip h GLU 91 Cb 1.24 0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.65 2dip h GLU 91 CO 0.48 -0.61 -0.70 0.14 -0.73 0.00 0.00 179.01 177.59 2dip s VAL 92 N -6.00 0.42 -0.20 0.32 -7.23 -1.26 -5.10 120.40 101.35 2dip s VAL 92 Ca -0.18 -1.50 -0.41 0.00 -1.81 0.00 0.00 61.98 58.08 2dip s VAL 92 Cb 0.04 -1.11 -0.18 0.00 0.56 0.00 0.00 36.38 35.69 2dip s VAL 92 CO 0.62 -0.72 1.45 -1.54 -0.31 0.00 0.00 175.10 174.60 2dip n SER 93 N 0.68 1.31 0.00 4.85 3.41 -1.26 -4.84 113.62 117.76 2dip n SER 93 Ca -0.17 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2dip n SER 93 Cb 0.58 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2dip n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dip n GLY 94 N 3.13 2.01 0.00 5.00 0.00 -1.26 -4.99 105.19 109.09 2dip n GLY 94 Ca 0.25 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.53 2dip n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dip n PRO 95 N 0.00 0.49 -3.00 1.61 -0.04 -1.26 -4.50 135.00 128.30 2dip n PRO 95 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 2dip n PRO 95 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2dip n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dip s SER 96 N -1.94 6.42 -0.12 3.54 0.15 -1.26 -4.87 113.70 115.62 2dip s SER 96 Ca 0.21 -1.71 -0.06 0.00 0.70 0.00 0.00 55.95 55.08 2dip s SER 96 Cb 0.09 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2dip s SER 96 CO 0.16 -1.12 -0.04 0.28 1.20 0.00 0.00 173.24 173.72 2dip h SER 97 N 8.99 0.00 0.00 5.45 0.02 -2.02 -3.53 113.55 122.46 2dip h SER 97 Ca -0.07 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2dip h SER 97 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2dip h SER 97 CO 1.09 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 178.06