#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 -0.21 0.01 1.61 0.15 -1.26 -5.16 113.70 108.85 2dip s SER 2 Ca 0.00 -0.58 -0.16 0.00 0.70 0.00 0.00 55.95 55.91 2dip s SER 2 Cb 0.00 0.57 -0.06 0.00 -1.71 0.00 0.00 66.02 64.82 2dip s SER 2 CO 0.00 -1.06 0.46 -0.44 1.20 0.00 0.00 173.24 173.40 2dip s SER 3 N -2.90 6.88 0.09 5.45 0.01 -1.26 -5.09 113.70 116.87 2dip s SER 3 Ca 0.12 1.04 0.03 0.00 1.31 0.00 0.00 55.95 58.44 2dip s SER 3 Cb -0.01 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2dip s SER 3 CO -0.01 0.29 -0.09 -0.83 0.41 0.00 0.00 173.24 173.02 2dip s GLY 4 N -1.00 0.76 -0.27 3.44 0.00 -1.26 -5.15 107.32 103.84 2dip s GLY 4 Ca 0.25 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 2dip s GLY 4 CO 0.15 -1.24 0.69 -0.45 0.00 0.00 0.00 173.10 172.25 2dip s SER 5 N -2.48 -0.84 -0.19 1.64 0.15 -1.26 -5.17 113.70 105.54 2dip s SER 5 Ca 0.05 1.47 -0.35 0.00 0.70 0.00 0.00 55.95 57.82 2dip s SER 5 Cb -0.02 1.41 0.14 0.00 -1.71 0.00 0.00 66.02 65.84 2dip s SER 5 CO -0.01 -0.24 1.20 -0.55 1.20 0.00 0.00 173.24 174.83 2dip s SER 6 N 1.05 -0.14 0.00 5.45 0.15 -1.26 -5.19 113.70 113.75 2dip s SER 6 Ca -0.05 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2dip s SER 6 Cb -0.05 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2dip s SER 6 CO -0.10 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2dip n GLY 7 N -0.06 1.77 3.10 9.45 0.00 -1.26 -5.18 105.19 113.02 2dip n GLY 7 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2dip n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dip s LEU 8 N 0.00 1.18 0.13 0.99 0.05 -1.26 -5.17 118.68 114.60 2dip s LEU 8 Ca 0.00 0.40 -0.17 0.00 0.05 0.00 0.00 54.13 54.40 2dip s LEU 8 Cb 0.00 0.76 0.04 0.00 -2.05 0.00 0.00 46.19 44.94 2dip s LEU 8 CO 0.00 -0.10 0.43 -1.61 -0.55 0.00 0.00 176.35 174.52 2dip s GLU 9 N 0.00 1.10 0.43 1.48 8.01 -1.26 -5.18 118.70 123.28 2dip s GLU 9 Ca -0.01 -0.66 0.07 0.00 0.01 0.00 0.00 54.97 54.38 2dip s GLU 9 Cb -0.02 0.49 -0.02 0.00 -4.31 0.00 0.00 34.13 30.27 2dip s GLU 9 CO 0.00 -0.44 0.37 -1.83 0.01 0.00 0.00 175.26 173.38 2dip s GLU 10 N -3.77 2.47 0.28 1.61 -1.05 -1.26 -5.15 118.70 111.83 2dip s GLU 10 Ca 0.02 -1.62 0.02 0.00 -0.15 0.00 0.00 54.97 53.25 2dip s GLU 10 Cb 0.01 -2.31 -0.01 0.00 -0.44 0.00 0.00 34.13 31.38 2dip s GLU 10 CO -0.12 -0.25 0.09 1.97 0.95 0.00 0.00 175.26 177.90 2dip n PHE 11 N -1.56 0.18 -3.62 4.83 -1.74 -1.26 -5.18 117.46 109.11 2dip n PHE 11 Ca 0.03 -1.75 0.01 0.00 -0.56 0.00 0.00 57.45 55.18 2dip n PHE 11 Cb 0.62 -0.03 -0.01 0.00 1.52 0.00 0.00 39.48 41.59 2dip n PHE 11 CO 0.00 0.00 0.00 -1.59 -0.56 0.00 0.00 176.76 174.61 2dip s LYS 12 N -3.07 0.44 0.09 3.97 0.00 -1.26 -5.19 119.74 114.72 2dip s LYS 12 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 55.97 55.82 2dip s LYS 12 Cb 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 37.83 37.96 2dip s LYS 12 CO 0.09 -0.20 0.06 -0.80 0.00 0.00 0.00 175.35 174.50 2dip s ASN 13 N -2.93 0.33 -0.11 0.03 0.01 -1.26 -5.17 114.94 105.84 2dip s ASN 13 Ca 0.14 -0.99 -0.33 0.00 -0.71 0.00 0.00 52.86 50.97 2dip s ASN 13 Cb 0.04 0.27 0.13 0.00 0.41 0.00 0.00 41.25 42.10 2dip s ASN 13 CO -0.04 -0.69 1.21 -0.94 -1.51 0.00 0.00 177.10 175.13 2dip s SER 14 N -2.95 -0.12 -0.30 -1.22 1.04 -1.26 -5.16 113.70 103.72 2dip s SER 14 Ca 0.13 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2dip s SER 14 Cb 0.07 0.18 0.17 0.00 0.10 0.00 0.00 66.02 66.53 2dip s SER 14 CO -0.06 -0.30 0.88 -0.94 0.98 0.00 0.00 173.24 173.79 2dip s SER 15 N -2.50 -0.80 0.19 7.02 1.04 -1.26 -5.18 113.70 112.22 2dip s SER 15 Ca 0.11 0.82 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 2dip s SER 15 Cb 0.01 1.79 -0.04 0.00 0.10 0.00 0.00 66.02 67.88 2dip s SER 15 CO -0.04 -0.15 0.11 -0.54 0.98 0.00 0.00 173.24 173.60 2dip s LYS 16 N 2.72 1.16 -0.27 4.02 1.02 -1.26 -5.17 119.74 121.96 2dip s LYS 16 Ca 0.02 -1.60 -0.19 0.00 0.02 0.00 0.00 55.97 54.22 2dip s LYS 16 Cb -0.10 0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.52 2dip s LYS 16 CO -0.17 -0.36 0.68 -0.48 -0.92 0.00 0.00 175.35 174.10 2dip s LEU 17 N -3.15 -0.81 -0.09 3.17 2.34 -1.26 -5.16 118.68 113.73 2dip s LEU 17 Ca 0.36 1.45 0.03 0.00 0.06 0.00 0.00 54.13 56.02 2dip s LEU 17 Cb 0.07 2.34 -0.02 0.00 -0.56 0.00 0.00 46.19 48.02 2dip s LEU 17 CO 0.10 -0.24 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.29 2dip s VAL 18 N 1.18 2.77 -0.07 1.48 1.01 -1.26 -5.12 120.40 120.40 2dip s VAL 18 Ca -0.06 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 2dip s VAL 18 Cb -0.05 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2dip s VAL 18 CO -0.12 0.56 0.27 0.00 0.00 0.00 0.00 175.10 175.81 2dip s ALA 19 N -0.09 -0.68 0.04 5.51 0.00 -1.26 -5.17 121.76 120.12 2dip s ALA 19 Ca -0.03 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2dip s ALA 19 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 2dip s ALA 19 CO 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 175.76 175.53 2dip s ALA 20 N -0.47 0.73 0.41 0.00 0.00 -1.26 -5.17 121.76 116.01 2dip s ALA 20 Ca -0.06 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2dip s ALA 20 Cb -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2dip s ALA 20 CO 0.02 0.05 0.05 0.00 0.00 0.00 0.00 175.76 175.87 2dip s ALA 21 N -1.22 3.29 0.26 0.00 0.00 -1.26 -5.16 121.76 117.67 2dip s ALA 21 Ca -0.07 -2.21 0.02 0.00 0.00 0.00 0.00 51.96 49.70 2dip s ALA 21 Cb -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2dip s ALA 21 CO 0.01 -0.13 0.14 -1.83 0.00 0.00 0.00 175.76 173.95 2dip s GLU 22 N -3.76 1.44 -0.33 0.00 -1.05 -1.26 -5.07 118.70 108.66 2dip s GLU 22 Ca 0.36 -1.79 0.08 0.00 -0.15 0.00 0.00 54.97 53.46 2dip s GLU 22 Cb 0.08 0.01 0.45 0.00 -0.44 0.00 0.00 34.13 34.24 2dip s GLU 22 CO 0.19 -0.41 1.15 1.63 0.95 0.00 0.00 175.26 178.77 2dip n LYS 23 N -0.46 3.33 -3.98 -4.83 4.76 -1.26 -4.96 118.16 110.77 2dip n LYS 23 Ca 0.02 -4.18 -0.30 0.00 -2.87 0.00 0.00 58.31 50.98 2dip n LYS 23 Cb 0.65 -2.18 -0.16 0.00 -1.84 0.00 0.00 35.03 31.50 2dip n LYS 23 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2dip s GLU 24 N -3.58 1.87 -0.41 1.97 2.56 -1.26 -5.07 118.70 114.77 2dip s GLU 24 Ca 0.47 -0.91 -0.30 0.00 0.00 0.00 0.00 54.97 54.23 2dip s GLU 24 Cb 0.40 -2.49 -0.09 0.00 2.00 0.00 0.00 34.13 33.95 2dip s GLU 24 CO -0.03 -0.50 2.32 -2.13 -0.56 0.00 0.00 175.26 174.36 2dip n ARG 25 N 4.67 1.22 -0.05 4.30 0.63 -1.26 -4.80 116.66 121.37 2dip n ARG 25 Ca -0.14 0.24 -0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2dip n ARG 25 Cb 0.45 -2.90 -0.00 0.00 0.45 0.00 0.00 32.46 30.46 2dip n ARG 25 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2dip h LEU 26 N 15.37 0.00-10.75 6.15 4.07 -1.96 -3.48 115.31 124.72 2dip h LEU 26 Ca -0.28 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.22 2dip h LEU 26 Cb 1.28 0.00 0.11 0.00 1.08 0.00 0.00 40.66 43.13 2dip h LEU 26 CO 1.08 0.48 0.22 -1.81 -1.08 0.00 0.00 178.44 177.33 2dip s ASP 27 N -5.35 3.91 -0.00 -0.43 1.01 -1.26 -5.07 116.67 109.48 2dip s ASP 27 Ca -0.01 -0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.11 2dip s ASP 27 Cb 0.00 -0.13 -0.00 0.00 1.01 0.00 0.00 42.92 43.80 2dip s ASP 27 CO 0.02 -2.17 -0.00 0.50 0.21 0.00 0.00 175.17 173.73 2dip h LYS 28 N -0.93 0.00 -4.49 8.23 1.63 -2.01 -3.46 116.57 115.55 2dip h LYS 28 Ca -0.39 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.84 2dip h LYS 28 Cb 1.26 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 2dip h LYS 28 CO 0.40 0.00 1.05 -2.39 -3.45 0.00 0.00 179.45 175.05 2dip n HIS 29 N -2.18 0.83 0.03 1.91 1.44 -1.26 -4.79 115.22 111.20 2dip n HIS 29 Ca -0.00 0.55 -0.21 0.00 -2.01 0.00 0.00 57.72 56.05 2dip n HIS 29 Cb 0.00 -1.75 -0.14 0.00 0.12 0.00 0.00 29.99 28.21 2dip n HIS 29 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 2dip h LEU 30 N 7.13 0.45 0.00 2.39 -0.00 -1.96 -3.41 115.31 119.90 2dip h LEU 30 Ca -0.07 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 56.95 2dip h LEU 30 Cb 1.07 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 2dip h LEU 30 CO 0.86 1.76 0.00 0.61 -0.00 0.00 0.00 178.44 181.66 2dip n GLY 31 N 1.90 1.42 3.03 0.17 0.00 -1.26 -4.46 105.19 105.99 2dip n GLY 31 Ca -0.28 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.00 0.78 -0.61 1.01 -1.26 -5.12 121.20 115.99 2dip s ILE 32 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 2dip s ILE 32 Cb 0.00 -0.23 0.06 0.00 0.01 0.00 0.00 42.46 42.30 2dip s ILE 32 CO 0.00 0.01 1.09 -2.16 0.00 0.00 0.00 174.94 173.88 2dip s PRO 33 N 0.17 2.21 0.63 2.79 0.04 -1.26 -4.73 135.00 134.84 2dip s PRO 33 Ca -0.01 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.02 2dip s PRO 33 Cb -0.02 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2dip s PRO 33 CO -0.00 -1.67 1.14 0.00 0.04 0.00 0.00 177.00 176.51 2dip n ASN 35 N -2.01 0.51 0.00 0.00 2.85 0.56 -3.23 115.26 113.94 2dip n ASN 35 Ca 0.12 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2dip n ASN 35 Cb 0.51 1.06 0.00 0.00 1.24 0.00 0.00 39.78 42.59 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2dip n ASN 36 N -2.26 0.00 0.18 1.20 5.15 -1.26 -4.65 115.26 113.62 2dip n ASN 36 Ca -0.00 0.06 0.06 0.00 -0.60 0.00 0.00 54.58 54.10 2dip n ASN 36 Cb 0.51 -0.33 0.28 0.00 -0.53 0.00 0.00 39.78 39.72 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 -3.40 -4.93 -2.76 0.00 4.76 -1.20 -4.97 118.16 105.66 2dip n LYS 38 Ca 0.01 0.54 -0.42 0.00 -2.87 0.00 0.00 58.31 55.56 2dip n LYS 38 Cb 0.55 -4.70 -0.03 0.00 -1.84 0.00 0.00 35.03 29.01 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 -5.56 4.29 -0.11 1.97 0.74 -1.26 -4.71 119.66 115.01 2dip s GLN 39 Ca 0.27 1.21 -0.05 0.00 0.05 0.00 0.00 55.36 56.83 2dip s GLN 39 Cb -0.12 -3.60 0.05 0.00 1.10 0.00 0.00 33.01 30.44 2dip s GLN 39 CO 0.47 -0.47 0.25 0.12 -0.55 0.00 0.00 175.29 175.11 2dip s PHE 40 N 2.63 -0.35 0.96 1.67 5.36 -1.26 -3.10 117.98 123.89 2dip s PHE 40 Ca 0.42 0.83 -0.12 0.00 -0.96 0.00 0.00 56.93 57.10 2dip s PHE 40 Cb -0.16 0.03 0.16 0.00 -0.34 0.00 0.00 43.02 42.72 2dip s PHE 40 CO 0.10 -0.26 1.09 -1.25 -1.46 0.00 0.00 175.22 173.45 2dip s PRO 41 N 1.49 0.76 -0.92 10.12 0.04 -1.26 -4.85 135.00 140.38 2dip s PRO 41 Ca -0.07 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 2dip s PRO 41 Cb -0.11 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.84 2dip s PRO 41 CO -0.09 -2.53 1.01 0.42 0.04 0.00 0.00 177.00 175.85 2dip s ILE 42 N -2.95 5.17 0.17 0.56 1.01 -1.24 -4.90 121.20 119.01 2dip s ILE 42 Ca 0.65 -2.12 -0.21 0.00 0.00 0.00 0.00 60.65 58.97 2dip s ILE 42 Cb -0.18 -4.66 0.08 0.00 0.01 0.00 0.00 42.46 37.70 2dip s ILE 42 CO 0.57 -1.31 1.62 -0.33 0.00 0.00 0.00 174.94 175.49 2dip h GLU 43 N 8.16 -0.19 0.00 2.79 4.39 -1.92 -3.42 114.58 124.39 2dip h GLU 43 Ca 0.15 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.63 2dip h GLU 43 Cb 1.01 0.04 0.12 0.00 -0.10 0.00 0.00 28.75 29.83 2dip h GLU 43 CO 0.97 -0.13 0.01 0.41 -1.16 0.00 0.00 179.01 179.12 2dip n GLY 44 N -1.40 -3.05 3.29 -3.84 0.00 -1.26 -4.99 105.19 93.95 2dip n GLY 44 Ca 0.01 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.80 -2.61 -4.03 1.61 4.76 -1.26 -4.69 118.16 108.13 2dip n LYS 45 Ca 0.09 -0.75 -0.31 0.00 -2.87 0.00 0.00 58.31 54.46 2dip n LYS 45 Cb 0.36 -1.86 -0.15 0.00 -1.84 0.00 0.00 35.03 31.54 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 1.01 3.38 -0.01 0.00 1.51 -0.91 -3.06 117.35 119.27 2dip s TYR 47 Ca 0.02 0.07 -0.14 0.00 -1.01 0.00 0.00 57.07 56.02 2dip s TYR 47 Cb -0.19 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 2dip s TYR 47 CO -0.07 0.52 0.29 -1.59 -1.11 0.00 0.00 175.55 173.59 2dip s LYS 48 N -3.19 0.66 -0.21 -0.62 -2.85 -1.02 -0.28 119.74 112.23 2dip s LYS 48 Ca 0.33 -0.23 -0.19 0.00 -1.00 0.00 0.00 55.97 54.89 2dip s LYS 48 Cb -0.11 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2dip s LYS 48 CO 0.27 -0.18 0.55 0.00 0.10 0.00 0.00 175.35 176.09 2dip n THR 50 N 4.65 0.27 -0.01 0.00 -2.24 0.61 -3.62 114.28 113.94 2dip n THR 50 Ca -0.04 -0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2dip n THR 50 Cb 0.50 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.14 2.29 -1.87 -0.78 1.02 -1.26 -4.98 120.64 115.20 2dip n GLU 51 Ca 0.10 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2dip n GLU 51 Cb 0.22 -1.07 0.05 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.30 2.36 -1.68 0.00 -1.09 -1.26 -4.70 121.20 113.54 2dip s ILE 53 Ca 0.35 -0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 57.68 2dip s ILE 53 Cb -0.02 -1.90 0.13 0.00 -1.58 0.00 0.00 42.46 39.09 2dip s ILE 53 CO 0.23 0.56 0.61 -0.62 -1.23 0.00 0.00 174.94 174.50 2dip n GLU 54 N 3.04 -2.51 -4.37 2.79 1.02 -1.26 -4.92 120.64 114.42 2dip n GLU 54 Ca -0.18 0.31 -0.34 0.00 -0.02 0.00 0.00 57.16 56.93 2dip n GLU 54 Cb 0.52 -4.78 -0.14 0.00 -0.02 0.00 0.00 31.44 27.02 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 -3.50 2.91 -0.07 -0.32 5.04 -1.26 -5.00 117.35 115.15 2dip s TYR 55 Ca 0.56 -0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 2dip s TYR 55 Cb -0.31 -1.96 0.03 0.00 0.35 0.00 0.00 41.96 40.06 2dip s TYR 55 CO 0.95 -0.31 0.16 -1.01 -1.34 0.00 0.00 175.55 174.00 2dip s HIS 56 N 0.78 -0.19 0.50 4.97 3.76 -1.26 -2.42 115.29 121.43 2dip s HIS 56 Ca -0.03 0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.39 2dip s HIS 56 Cb -0.15 -0.00 0.02 0.00 1.11 0.00 0.00 32.58 33.56 2dip s HIS 56 CO 0.01 -0.13 0.20 1.28 -0.85 0.00 0.00 174.74 175.25 2dip n LEU 57 N 3.64 0.00 -4.31 0.89 4.77 0.62 0.21 117.00 122.82 2dip n LEU 57 Ca -0.20 -2.86 -0.21 0.00 -0.03 0.00 0.00 56.01 52.72 2dip n LEU 57 Cb 0.55 0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 2dip n LEU 57 CO 0.19 -0.50 -0.48 0.00 -1.33 0.00 0.00 177.39 175.27 2dip h GLN 59 N 3.40 0.12 0.07 0.00 5.75 -1.82 0.12 115.11 122.75 2dip h GLN 59 Ca -0.42 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.07 2dip h GLN 59 Cb 1.20 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2dip h GLN 59 CO 0.50 0.08 -0.03 1.49 -2.65 0.00 0.00 178.83 178.21 2dip h GLU 60 N 0.12 -0.09 -0.92 1.69 4.81 -1.95 -2.25 114.58 116.00 2dip h GLU 60 Ca 0.80 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 60.26 2dip h GLU 60 Cb 2.31 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.65 2dip h GLU 60 CO -0.51 -0.06 0.61 0.00 -0.73 0.00 0.00 179.01 178.32 2dip h PHE 62 N 0.34 0.66 -0.49 0.00 3.57 -0.70 -1.53 116.94 118.78 2dip h PHE 62 Ca 0.48 0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.13 2dip h PHE 62 Cb 1.30 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 2dip h PHE 62 CO -0.00 0.44 0.38 0.22 -2.23 0.00 0.00 178.31 177.12 2dip h ASP 63 N 0.70 0.00 1.52 0.41 3.58 0.13 0.40 116.42 123.16 2dip h ASP 63 Ca 0.18 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 2dip h ASP 63 Cb -0.03 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 2dip h ASP 63 CO -0.03 0.00 -0.15 -1.28 -2.88 0.00 0.00 179.24 174.89 2dip h SER 64 N 0.00 0.00 -6.03 2.28 0.87 -1.36 -3.47 113.55 105.84 2dip h SER 64 Ca 0.23 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.37 2dip h SER 64 Cb 0.99 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 63.02 2dip h SER 64 CO -0.00 0.15 -0.74 -1.22 -0.53 0.00 0.00 176.83 174.49 2dip n TYR 65 N -3.18 -2.49 -0.04 2.24 4.02 0.14 -4.93 117.16 112.92 2dip n TYR 65 Ca 0.02 0.95 -0.00 0.00 -0.01 0.00 0.00 57.90 58.86 2dip n TYR 65 Cb 0.52 -4.58 -0.00 0.00 -0.02 0.00 0.00 39.34 35.26 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 -4.06 0.51 0.03 0.00 -0.00 -1.26 -3.52 115.22 106.92 2dip n HIS 67 Ca -0.00 0.18 0.18 0.00 -0.00 0.00 0.00 57.72 58.08 2dip n HIS 67 Cb 0.01 -0.79 0.38 0.00 -0.00 0.00 0.00 29.99 29.59 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 0.00 -1.44 0.27 -0.00 -1.93 0.16 115.31 112.38 2dip h LEU 68 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.88 58.21 2dip h LEU 68 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.00 2dip h LEU 68 CO 0.00 0.00 0.75 0.28 -0.00 0.00 0.00 178.44 179.47 2dip h SER 69 N 0.00 0.34 -5.77 -0.43 0.02 -1.82 -3.41 113.55 102.49 2dip h SER 69 Ca 0.27 0.09 -0.46 0.00 -0.84 0.00 0.00 61.79 60.85 2dip h SER 69 Cb 2.25 0.05 0.07 0.00 0.14 0.00 0.00 62.40 64.91 2dip h SER 69 CO -0.00 -0.01 0.07 1.41 -1.14 0.00 0.00 176.83 177.16 2dip n HIS 70 N -4.60 -2.80 -2.86 3.45 8.25 0.57 -4.97 115.22 112.26 2dip n HIS 70 Ca 0.29 -1.83 -0.43 0.00 -0.26 0.00 0.00 57.72 55.50 2dip n HIS 70 Cb 1.09 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 2dip n HIS 70 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2dip s THR 71 N -2.95 4.41 0.42 1.59 2.01 -1.26 -5.01 115.64 114.84 2dip s THR 71 Ca 0.65 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.83 2dip s THR 71 Cb -0.04 -4.55 -0.00 0.00 0.01 0.00 0.00 72.50 67.92 2dip s THR 71 CO 0.42 -1.16 0.49 -0.36 -0.69 0.00 0.00 174.62 173.33 2dip s PHE 72 N 3.88 2.78 -0.19 4.92 0.40 -1.26 -0.29 117.98 128.23 2dip s PHE 72 Ca 0.28 -0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 56.03 2dip s PHE 72 Cb -0.14 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.16 2dip s PHE 72 CO 0.17 -0.29 0.49 0.95 0.70 0.00 0.00 175.22 177.24 2dip s THR 73 N -2.39 -0.01 0.03 0.64 -4.23 -0.75 -3.90 115.64 105.02 2dip s THR 73 Ca 0.52 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2dip s THR 73 Cb -0.07 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 2dip s THR 73 CO 0.31 0.01 0.08 0.72 -0.54 0.00 0.00 174.62 175.20 2dip s PHE 74 N 0.72 3.24 0.58 3.99 -0.71 -1.11 -2.43 117.98 122.26 2dip s PHE 74 Ca -0.04 0.15 0.09 0.00 -1.04 0.00 0.00 56.93 56.09 2dip s PHE 74 Cb -0.05 -1.69 0.08 0.00 -1.21 0.00 0.00 43.02 40.15 2dip s PHE 74 CO -0.05 0.53 0.73 1.03 -1.34 0.00 0.00 175.22 176.13 2dip s ARG 75 N -1.99 2.26 0.23 1.99 0.52 -1.17 -0.55 118.95 120.24 2dip s ARG 75 Ca 0.25 -1.75 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 2dip s ARG 75 Cb -0.12 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 2dip s ARG 75 CO 0.17 -0.86 0.06 -1.21 0.02 0.00 0.00 175.30 173.48 2dip s GLU 76 N -4.61 1.31 1.01 3.54 2.02 -1.26 -4.75 118.70 115.96 2dip s GLU 76 Ca 0.57 -1.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.70 2dip s GLU 76 Cb -0.05 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 2dip s GLU 76 CO 0.36 -0.23 -0.20 0.36 0.02 0.00 0.00 175.26 175.57 2dip n LYS 77 N -0.39 -0.52 -0.98 1.61 2.85 -1.26 -4.64 118.16 114.84 2dip n LYS 77 Ca -0.02 -0.13 -0.33 0.00 -1.05 0.00 0.00 58.31 56.78 2dip n LYS 77 Cb 0.65 -1.52 0.02 0.00 -0.65 0.00 0.00 35.03 33.53 2dip n LYS 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dip n ARG 78 N -0.36 0.00 -3.23 -1.58 3.00 -1.26 -3.11 116.66 110.13 2dip n ARG 78 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.71 2dip n ARG 78 Cb 0.59 -0.87 0.06 0.00 0.00 0.00 0.00 32.46 32.24 2dip n ARG 78 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2dip n ASN 79 N 2.61 -4.10 -2.06 6.15 5.15 -1.26 -5.01 115.26 116.75 2dip n ASN 79 Ca 0.03 -0.42 -0.08 0.00 -0.60 0.00 0.00 54.58 53.50 2dip n ASN 79 Cb 0.45 -3.91 -0.02 0.00 -0.53 0.00 0.00 39.78 35.77 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dip n GLN 80 N -3.67 0.36 -3.78 1.20 1.13 -1.18 -5.11 117.38 106.32 2dip n GLN 80 Ca -0.07 -1.49 -0.09 0.00 -1.94 0.00 0.00 57.00 53.40 2dip n GLN 80 Cb 0.57 1.42 -0.06 0.00 0.11 0.00 0.00 30.24 32.28 2dip n GLN 80 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2dip s LYS 81 N -2.44 0.92 0.64 -1.09 0.00 -1.26 -4.92 119.74 111.59 2dip s LYS 81 Ca 0.16 -0.88 -0.17 0.00 0.00 0.00 0.00 55.97 55.08 2dip s LYS 81 Cb -0.00 0.39 -0.08 0.00 0.00 0.00 0.00 37.83 38.14 2dip s LYS 81 CO 0.11 -0.32 0.43 0.91 0.00 0.00 0.00 175.35 176.48 2dip n TRP 82 N -0.12 -1.06 -4.41 1.78 7.02 -1.26 -4.41 117.44 114.98 2dip n TRP 82 Ca -0.15 0.39 -0.21 0.00 -1.02 0.00 0.00 57.50 56.51 2dip n TRP 82 Cb 0.63 -1.90 -0.16 0.00 -2.42 0.00 0.00 31.31 27.46 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 -2.25 1.06 -0.18 -0.99 0.52 0.28 -4.98 118.95 112.42 2dip s ARG 83 Ca 0.66 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.26 2dip s ARG 83 Cb -0.40 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 2dip s ARG 83 CO 0.58 0.09 1.68 -1.54 0.02 0.00 0.00 175.30 176.13 2dip s SER 84 N 0.29 6.38 0.94 0.23 1.04 -1.26 -2.74 113.70 118.58 2dip s SER 84 Ca -0.05 1.80 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 2dip s SER 84 Cb -0.10 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.65 2dip s SER 84 CO 0.01 -1.23 1.09 -0.76 0.98 0.00 0.00 173.24 173.33 2dip s LEU 85 N 5.16 1.95 -0.11 2.42 1.43 -1.25 -5.00 118.68 123.27 2dip s LEU 85 Ca 0.74 1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 54.94 2dip s LEU 85 Cb -0.28 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2dip s LEU 85 CO 0.30 -2.85 0.66 -1.83 0.23 0.00 0.00 176.35 172.86 2dip s GLU 86 N -4.97 4.37 -1.07 1.70 -1.05 -1.26 -4.97 118.70 111.45 2dip s GLU 86 Ca 0.64 0.77 -0.24 0.00 -0.15 0.00 0.00 54.97 55.99 2dip s GLU 86 Cb -0.18 -3.48 -0.10 0.00 -0.44 0.00 0.00 34.13 29.93 2dip s GLU 86 CO 0.57 -0.00 2.00 0.15 0.95 0.00 0.00 175.26 178.92 2dip s LYS 87 N 1.07 2.25 0.08 -4.83 1.02 -1.26 -4.89 119.74 113.17 2dip s LYS 87 Ca 0.34 -0.71 0.08 0.00 0.02 0.00 0.00 55.97 55.69 2dip s LYS 87 Cb -0.17 -5.13 -0.03 0.00 -0.52 0.00 0.00 37.83 31.99 2dip s LYS 87 CO 0.15 -4.08 -0.21 1.03 -0.92 0.00 0.00 175.35 171.32 2dip s ARG 88 N 7.07 1.24 -1.34 1.68 3.00 -1.26 -4.76 118.95 124.58 2dip s ARG 88 Ca 0.72 -1.07 -0.07 0.00 0.00 0.00 0.00 55.73 55.32 2dip s ARG 88 Cb -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 34.95 33.49 2dip s ARG 88 CO 0.10 0.35 1.07 0.00 0.00 0.00 0.00 175.30 176.82 2dip n ALA 89 N 1.41 -1.54 -2.72 2.13 0.00 -1.26 -4.91 120.51 113.62 2dip n ALA 89 Ca -0.18 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2dip n ALA 89 Cb 0.53 -4.30 -0.03 0.00 0.00 0.00 0.00 19.45 15.65 2dip n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dip s ASP 90 N -3.67 6.36 0.18 0.00 -1.08 -1.26 -4.79 116.67 112.41 2dip s ASP 90 Ca 0.40 -1.23 -0.30 0.00 -0.52 0.00 0.00 52.55 50.90 2dip s ASP 90 Cb -0.18 -2.49 -0.08 0.00 -1.46 0.00 0.00 42.92 38.71 2dip s ASP 90 CO 0.75 -1.47 1.17 -0.70 0.52 0.00 0.00 175.17 175.44 2dip s GLU 91 N 4.40 4.51 0.08 4.34 2.12 -1.26 -4.93 118.70 127.97 2dip s GLU 91 Ca 0.34 1.83 0.23 0.00 0.36 0.00 0.00 54.97 57.73 2dip s GLU 91 Cb -0.07 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2dip s GLU 91 CO 0.01 -0.05 0.95 1.33 -0.54 0.00 0.00 175.26 176.95 2dip n VAL 92 N 2.51 0.27 -1.56 3.70 0.24 -1.26 -4.83 118.33 117.41 2dip n VAL 92 Ca 0.04 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.60 2dip n VAL 92 Cb 0.45 0.01 0.07 0.00 -1.47 0.00 0.00 33.84 32.90 2dip n VAL 92 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dip n SER 93 N -2.22 0.86 -4.45 -1.34 2.88 -1.26 -4.94 113.62 103.15 2dip n SER 93 Ca 0.00 0.76 -0.44 0.00 -1.33 0.00 0.00 58.87 57.87 2dip n SER 93 Cb 0.49 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 2dip n SER 93 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dip s GLY 94 N -1.41 1.80 0.85 0.46 0.00 -1.26 -5.06 107.32 102.70 2dip s GLY 94 Ca 0.77 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.60 2dip s GLY 94 CO 0.46 1.43 0.75 -1.55 0.00 0.00 0.00 173.10 174.20 2dip n PRO 95 N 6.08 -2.50 0.04 2.90 -0.04 -1.26 -5.06 135.00 135.17 2dip n PRO 95 Ca -0.07 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 2dip n PRO 95 Cb 0.45 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2dip n PRO 95 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dip n SER 96 N -4.29 0.74 -4.11 3.54 3.41 -1.26 -5.12 113.62 106.52 2dip n SER 96 Ca 0.10 0.10 -0.19 0.00 -0.26 0.00 0.00 58.87 58.63 2dip n SER 96 Cb 0.41 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2dip n SER 96 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dip s SER 97 N -5.67 1.53 0.00 4.04 1.04 -1.26 -5.32 113.70 108.06 2dip s SER 97 Ca 0.00 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2dip s SER 97 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2dip s SER 97 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00