#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 -0.29 0.34 1.61 0.01 -1.26 -5.18 113.70 108.93 2dip s SER 2 Ca 0.00 0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.49 2dip s SER 2 Cb 0.00 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 2dip s SER 2 CO 0.00 -0.50 0.09 -0.44 0.41 0.00 0.00 173.24 172.80 2dip s SER 3 N -1.37 2.29 0.00 2.44 0.01 -1.26 -5.17 113.70 110.66 2dip s SER 3 Ca -0.12 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.64 2dip s SER 3 Cb -0.04 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2dip s SER 3 CO 0.05 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2dip n GLY 4 N -0.73 5.23 3.79 3.44 0.00 -1.26 -5.19 105.19 110.47 2dip n GLY 4 Ca -0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2dip n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dip s SER 5 N 1.15 -0.10 0.25 1.61 0.15 -1.26 -5.19 113.70 110.31 2dip s SER 5 Ca 0.00 -0.86 -0.15 0.00 0.70 0.00 0.00 55.95 55.64 2dip s SER 5 Cb 0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dip s SER 5 CO 0.00 -1.42 0.52 -0.55 1.20 0.00 0.00 173.24 172.99 2dip s SER 6 N -2.99 -0.13 0.00 5.45 0.15 -1.26 -5.19 113.70 109.73 2dip s SER 6 Ca 0.15 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dip s SER 6 Cb -0.05 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2dip s SER 6 CO 0.09 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.97 2dip n GLY 7 N -0.39 2.64 3.60 9.45 0.00 -1.26 -5.16 105.19 114.07 2dip n GLY 7 Ca -0.03 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 2dip n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dip s LEU 8 N 0.00 -0.15 0.44 0.99 2.96 -1.26 -5.19 118.68 116.47 2dip s LEU 8 Ca 0.00 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2dip s LEU 8 Cb 0.00 1.40 -0.04 0.00 0.50 0.00 0.00 46.19 48.05 2dip s LEU 8 CO 0.00 -0.22 0.14 -1.61 -1.32 0.00 0.00 176.35 173.34 2dip s GLU 9 N -2.03 2.16 0.26 1.98 8.01 -1.26 -5.16 118.70 122.66 2dip s GLU 9 Ca 0.08 -2.00 0.02 0.00 0.01 0.00 0.00 54.97 53.08 2dip s GLU 9 Cb -0.01 -1.86 -0.05 0.00 -4.31 0.00 0.00 34.13 27.90 2dip s GLU 9 CO -0.05 -0.18 0.07 -1.21 0.01 0.00 0.00 175.26 173.90 2dip s GLU 10 N -3.89 1.41 0.45 1.61 2.02 -1.26 -5.18 118.70 113.86 2dip s GLU 10 Ca 0.34 -1.75 0.03 0.00 0.02 0.00 0.00 54.97 53.61 2dip s GLU 10 Cb 0.04 -0.40 -0.03 0.00 0.10 0.00 0.00 34.13 33.84 2dip s GLU 10 CO 0.19 -0.23 0.03 0.12 0.02 0.00 0.00 175.26 175.39 2dip s PHE 11 N -3.63 1.99 0.25 1.61 5.36 -1.26 -5.17 117.98 117.13 2dip s PHE 11 Ca 0.35 -0.97 -0.08 0.00 -0.96 0.00 0.00 56.93 55.27 2dip s PHE 11 Cb 0.07 -1.52 -0.01 0.00 -0.34 0.00 0.00 43.02 41.22 2dip s PHE 11 CO 0.12 0.15 0.38 0.15 -1.46 0.00 0.00 175.22 174.56 2dip s LYS 12 N -3.81 1.51 0.35 10.12 3.01 -1.26 -5.18 119.74 124.47 2dip s LYS 12 Ca 0.18 -1.44 0.06 0.00 -1.01 0.00 0.00 55.97 53.76 2dip s LYS 12 Cb 0.04 0.41 -0.07 0.00 -1.01 0.00 0.00 37.83 37.20 2dip s LYS 12 CO 0.09 -0.60 -0.00 -0.80 0.51 0.00 0.00 175.35 174.55 2dip s ASN 13 N -3.09 3.15 0.45 2.83 0.01 -1.26 -5.17 114.94 111.86 2dip s ASN 13 Ca 0.28 -1.31 0.03 0.00 -0.71 0.00 0.00 52.86 51.15 2dip s ASN 13 Cb 0.01 -0.24 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 2dip s ASN 13 CO 0.12 -0.45 0.07 -0.55 -1.51 0.00 0.00 177.10 174.78 2dip s SER 14 N -3.57 3.41 0.32 -1.22 0.15 -1.26 -5.17 113.70 106.35 2dip s SER 14 Ca 0.34 -1.65 0.03 0.00 0.70 0.00 0.00 55.95 55.37 2dip s SER 14 Cb 0.07 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 2dip s SER 14 CO 0.16 -0.87 0.11 -0.55 1.20 0.00 0.00 173.24 173.28 2dip s SER 15 N -3.73 1.94 0.37 5.45 0.15 -1.26 -5.16 113.70 111.47 2dip s SER 15 Ca 0.17 -1.49 -0.04 0.00 0.70 0.00 0.00 55.95 55.29 2dip s SER 15 Cb 0.03 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 2dip s SER 15 CO 0.10 -0.78 0.63 -0.54 1.20 0.00 0.00 173.24 173.84 2dip s LYS 16 N -3.87 3.57 0.13 5.44 1.02 -1.26 -5.11 119.74 119.67 2dip s LYS 16 Ca 0.34 -0.02 0.10 0.00 0.02 0.00 0.00 55.97 56.41 2dip s LYS 16 Cb 0.06 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 2dip s LYS 16 CO 0.15 0.06 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.25 2dip s LEU 17 N -4.16 2.51 1.19 3.17 2.96 -1.26 -5.13 118.68 117.96 2dip s LEU 17 Ca 0.44 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.54 2dip s LEU 17 Cb -0.10 -1.36 0.29 0.00 0.50 0.00 0.00 46.19 45.52 2dip s LEU 17 CO 0.36 0.17 1.01 1.33 -1.32 0.00 0.00 176.35 177.90 2dip n VAL 18 N 0.75 0.00 -3.64 1.68 0.24 -1.26 -5.06 118.33 111.04 2dip n VAL 18 Ca -0.16 -0.46 -0.07 0.00 -2.04 0.00 0.00 64.34 61.61 2dip n VAL 18 Cb 0.53 -0.99 -0.07 0.00 -1.47 0.00 0.00 33.84 31.84 2dip n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dip s ALA 19 N -2.40 -2.05 0.29 2.33 0.00 -1.26 -5.19 121.76 113.48 2dip s ALA 19 Ca 0.69 1.79 -0.01 0.00 0.00 0.00 0.00 51.96 54.43 2dip s ALA 19 Cb -0.26 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2dip s ALA 19 CO 0.65 -0.20 0.32 0.00 0.00 0.00 0.00 175.76 176.54 2dip s ALA 20 N 0.04 1.05 0.02 0.00 0.00 -1.26 -5.18 121.76 116.43 2dip s ALA 20 Ca 0.04 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.24 2dip s ALA 20 Cb -0.05 1.30 0.01 0.00 0.00 0.00 0.00 23.12 24.39 2dip s ALA 20 CO -0.09 -0.71 0.26 0.00 0.00 0.00 0.00 175.76 175.23 2dip s ALA 21 N -3.61 -0.60 -0.48 0.00 0.00 -1.26 -5.11 121.76 110.71 2dip s ALA 21 Ca 0.35 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 2dip s ALA 21 Cb 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2dip s ALA 21 CO 0.18 -0.32 1.67 -1.21 0.00 0.00 0.00 175.76 176.09 2dip s GLU 22 N -1.99 3.15 0.12 0.00 0.41 -1.26 -4.98 118.70 114.15 2dip s GLU 22 Ca -0.09 0.90 -0.20 0.00 -0.41 0.00 0.00 54.97 55.17 2dip s GLU 22 Cb -0.03 -4.21 -0.07 0.00 -1.78 0.00 0.00 34.13 28.03 2dip s GLU 22 CO -0.00 -2.09 0.63 -1.59 -0.49 0.00 0.00 175.26 171.72 2dip s LYS 23 N 5.93 4.26 -0.13 1.61 0.00 -1.26 -5.08 119.74 125.07 2dip s LYS 23 Ca 0.67 0.81 -0.10 0.00 0.00 0.00 0.00 55.97 57.36 2dip s LYS 23 Cb -0.16 -3.16 0.04 0.00 0.00 0.00 0.00 37.83 34.56 2dip s LYS 23 CO 0.28 0.57 0.33 -1.21 0.00 0.00 0.00 175.35 175.32 2dip s GLU 24 N -1.33 0.35 0.03 1.78 2.02 -1.26 -5.16 118.70 115.11 2dip s GLU 24 Ca 0.33 0.54 0.03 0.00 0.02 0.00 0.00 54.97 55.89 2dip s GLU 24 Cb -0.19 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.10 2dip s GLU 24 CO 0.21 -0.09 -0.10 0.50 0.02 0.00 0.00 175.26 175.80 2dip s ARG 25 N 0.64 0.70 -0.86 1.61 3.52 -1.26 -5.05 118.95 118.25 2dip s ARG 25 Ca -0.04 -0.60 -0.22 0.00 -0.13 0.00 0.00 55.73 54.75 2dip s ARG 25 Cb -0.05 -0.63 -0.19 0.00 -1.56 0.00 0.00 34.95 32.52 2dip s ARG 25 CO -0.04 0.15 1.98 1.28 -0.81 0.00 0.00 175.30 177.87 2dip n LEU 26 N 2.08 0.73 -0.31 -0.88 7.99 -1.26 -4.69 117.00 120.67 2dip n LEU 26 Ca -0.18 -2.07 0.33 0.00 -0.01 0.00 0.00 56.01 54.08 2dip n LEU 26 Cb 0.56 -1.49 0.72 0.00 -0.11 0.00 0.00 43.42 43.10 2dip n LEU 26 CO 0.23 -3.09 1.30 -2.24 -1.51 0.00 0.00 177.39 172.08 2dip h ASP 27 N 11.38 0.06 -2.88 -1.43 3.04 -2.00 -3.37 116.42 121.22 2dip h ASP 27 Ca 0.00 0.01 -0.57 0.00 -3.24 0.00 0.00 57.03 53.23 2dip h ASP 27 Cb 1.01 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.26 2dip h ASP 27 CO 1.03 0.01 1.15 -0.54 -2.04 0.00 0.00 179.24 178.85 2dip s LYS 28 N -5.02 3.61 -0.34 4.15 1.02 -1.26 -3.06 119.74 118.84 2dip s LYS 28 Ca -0.05 1.40 -0.00 0.00 0.02 0.00 0.00 55.97 57.34 2dip s LYS 28 Cb 0.23 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.47 2dip s LYS 28 CO 0.80 -1.52 0.29 1.58 -0.92 0.00 0.00 175.35 175.58 2dip n HIS 29 N 9.04 -0.63 -0.07 3.18 -0.00 -1.26 -4.98 115.22 120.50 2dip n HIS 29 Ca 0.19 0.27 -0.15 0.00 -0.00 0.00 0.00 57.72 58.03 2dip n HIS 29 Cb 0.46 -2.84 -0.06 0.00 -0.00 0.00 0.00 29.99 27.56 2dip n HIS 29 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dip h LEU 30 N -0.55 0.77 0.00 0.27 3.38 -1.70 -3.42 115.31 114.06 2dip h LEU 30 Ca -0.17 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2dip h LEU 30 Cb 1.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2dip h LEU 30 CO 0.14 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2dip n GLY 31 N 0.38 1.00 3.03 0.83 0.00 -1.26 -4.45 105.19 104.72 2dip n GLY 31 Ca -0.05 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 0.71 -0.61 1.01 -1.26 -5.16 121.20 115.89 2dip s ILE 32 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 2dip s ILE 32 Cb 0.00 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.27 2dip s ILE 32 CO 0.00 0.01 1.10 -2.16 0.00 0.00 0.00 174.94 173.89 2dip s PRO 33 N 0.19 2.54 0.59 2.79 0.04 -1.26 -4.81 135.00 135.07 2dip s PRO 33 Ca -0.01 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 2dip s PRO 33 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2dip s PRO 33 CO -0.00 -1.44 1.20 0.00 0.04 0.00 0.00 177.00 176.79 2dip n ASN 35 N -1.59 0.78 0.00 0.00 4.13 0.28 -3.12 115.26 115.74 2dip n ASN 35 Ca 0.13 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.74 2dip n ASN 35 Cb 0.50 0.73 0.00 0.00 -1.54 0.00 0.00 39.78 39.47 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2dip n ASN 36 N -1.54 0.00 0.13 6.41 5.15 -1.26 -4.69 115.26 119.46 2dip n ASN 36 Ca 0.04 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.15 2dip n ASN 36 Cb 0.34 -0.39 0.30 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.49 -6.54 -2.54 0.00 4.01 -1.18 -4.94 118.16 104.48 2dip n LYS 38 Ca 0.05 0.74 -0.43 0.00 -0.51 0.00 0.00 58.31 58.16 2dip n LYS 38 Cb 0.46 -5.47 -0.02 0.00 -0.51 0.00 0.00 35.03 29.50 2dip n LYS 38 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2dip s GLN 39 N -6.05 4.19 -0.12 1.97 0.74 -1.26 -4.68 119.66 114.45 2dip s GLN 39 Ca 0.47 1.43 -0.05 0.00 0.05 0.00 0.00 55.36 57.26 2dip s GLN 39 Cb -0.21 -3.73 0.06 0.00 1.10 0.00 0.00 33.01 30.23 2dip s GLN 39 CO 0.58 -0.75 0.26 0.12 -0.55 0.00 0.00 175.29 174.95 2dip s PHE 40 N 3.51 -0.38 0.98 1.67 5.36 -1.26 -3.11 117.98 124.74 2dip s PHE 40 Ca 0.50 0.89 -0.12 0.00 -0.96 0.00 0.00 56.93 57.24 2dip s PHE 40 Cb -0.17 0.01 0.18 0.00 -0.34 0.00 0.00 43.02 42.69 2dip s PHE 40 CO 0.12 -0.30 1.09 -1.25 -1.46 0.00 0.00 175.22 173.43 2dip s PRO 41 N 1.87 0.57 -0.85 10.12 0.04 -1.26 -5.05 135.00 140.44 2dip s PRO 41 Ca -0.04 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2dip s PRO 41 Cb -0.11 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2dip s PRO 41 CO -0.09 -2.65 0.91 0.42 0.04 0.00 0.00 177.00 175.63 2dip s ILE 42 N -2.96 5.16 0.17 0.56 1.01 -1.24 -4.92 121.20 118.98 2dip s ILE 42 Ca 0.65 -1.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.08 2dip s ILE 42 Cb -0.18 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.69 2dip s ILE 42 CO 0.57 -1.24 1.56 -0.33 0.00 0.00 0.00 174.94 175.50 2dip h GLU 43 N 8.36 -0.20 0.00 2.79 5.08 -1.95 -3.41 114.58 125.26 2dip h GLU 43 Ca 0.09 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 2dip h GLU 43 Cb 1.04 0.04 0.08 0.00 0.50 0.00 0.00 28.75 30.41 2dip h GLU 43 CO 0.94 -0.13 -0.01 0.41 -1.00 0.00 0.00 179.01 179.22 2dip n GLY 44 N -1.38 -3.16 3.24 -3.84 0.00 -1.26 -5.00 105.19 93.79 2dip n GLY 44 Ca 0.01 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.13 -4.65 -5.12 1.61 4.76 -1.26 -4.71 118.16 105.66 2dip n LYS 45 Ca 0.06 -1.38 -0.32 0.00 -2.87 0.00 0.00 58.31 53.80 2dip n LYS 45 Cb 0.23 -1.94 -0.16 0.00 -1.84 0.00 0.00 35.03 31.32 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 -0.10 1.30 -0.02 0.00 1.51 0.31 -2.93 117.35 117.42 2dip s TYR 47 Ca -0.04 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2dip s TYR 47 Cb -0.14 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 2dip s TYR 47 CO 0.04 -0.01 -0.04 0.21 -1.11 0.00 0.00 175.55 174.64 2dip s LYS 48 N -0.46 0.44 -0.08 -0.62 2.20 -1.04 0.03 119.74 120.22 2dip s LYS 48 Ca 0.05 -0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.29 2dip s LYS 48 Cb -0.06 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.76 2dip s LYS 48 CO -0.00 0.02 0.88 0.00 -0.36 0.00 0.00 175.35 175.88 2dip n THR 50 N 4.19 0.06 -0.02 0.00 -2.24 -0.34 -3.79 114.28 112.14 2dip n THR 50 Ca 0.04 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2dip n THR 50 Cb 0.50 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.12 1.25 -2.50 -0.78 1.02 -1.26 -4.98 120.64 113.52 2dip n GLU 51 Ca 0.18 -0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 2dip n GLU 51 Cb 0.33 -1.18 0.06 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 -1.86 3.27 -1.39 0.00 1.01 -1.26 -4.65 121.20 116.31 2dip s ILE 53 Ca 0.48 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2dip s ILE 53 Cb -0.04 -2.30 0.17 0.00 0.01 0.00 0.00 42.46 40.31 2dip s ILE 53 CO 0.31 0.59 0.44 -1.84 0.00 0.00 0.00 174.94 174.43 2dip n GLU 54 N 2.26 -0.79 -4.40 2.79 0.28 -1.26 -4.86 120.64 114.67 2dip n GLU 54 Ca -0.17 0.10 -0.34 0.00 -0.16 0.00 0.00 57.16 56.59 2dip n GLU 54 Cb 0.52 -3.47 -0.12 0.00 1.43 0.00 0.00 31.44 29.80 2dip n GLU 54 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2dip s TYR 55 N -2.69 3.03 -0.13 -1.84 6.14 -1.26 -4.94 117.35 115.66 2dip s TYR 55 Ca 0.61 -0.30 -0.09 0.00 0.64 0.00 0.00 57.07 57.93 2dip s TYR 55 Cb -0.36 -1.96 0.04 0.00 0.42 0.00 0.00 41.96 40.11 2dip s TYR 55 CO 0.76 -0.03 0.34 -1.01 0.64 0.00 0.00 175.55 176.24 2dip s HIS 56 N 0.36 -0.43 0.31 4.97 3.76 -1.26 -1.72 115.29 121.28 2dip s HIS 56 Ca -0.04 0.99 0.09 0.00 -0.15 0.00 0.00 55.06 55.95 2dip s HIS 56 Cb -0.14 0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.65 2dip s HIS 56 CO 0.03 -0.24 0.04 -0.51 -0.85 0.00 0.00 174.74 173.21 2dip s LEU 57 N 0.83 3.16 0.04 0.89 1.43 0.10 0.10 118.68 125.24 2dip s LEU 57 Ca -0.05 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 2dip s LEU 57 Cb -0.06 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2dip s LEU 57 CO -0.06 -0.15 0.02 0.00 0.23 0.00 0.00 176.35 176.39 2dip n GLN 59 N 0.92 -0.04 0.39 0.00 -0.06 -1.18 0.43 117.38 117.84 2dip n GLN 59 Ca -0.12 0.94 -0.15 0.00 -2.00 0.00 0.00 57.00 55.67 2dip n GLN 59 Cb 0.52 -1.65 -0.07 0.00 -4.06 0.00 0.00 30.24 24.98 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 -0.95 -0.92 3.69 4.81 -1.94 -2.45 114.58 116.83 2dip h GLU 60 Ca 0.54 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.94 2dip h GLU 60 Cb 1.38 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.89 2dip h GLU 60 CO -0.54 -0.63 0.55 0.00 -0.73 0.00 0.00 179.01 177.66 2dip h PHE 62 N 0.88 1.12 -0.74 0.00 3.57 -0.76 0.11 116.94 121.11 2dip h PHE 62 Ca 0.45 0.03 0.22 0.00 3.53 0.00 0.00 57.97 62.20 2dip h PHE 62 Cb 0.45 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2dip h PHE 62 CO -0.04 0.38 0.59 0.22 -2.23 0.00 0.00 178.31 177.24 2dip h ASP 63 N 0.92 0.00 -0.35 0.41 1.82 -0.67 0.25 116.42 118.80 2dip h ASP 63 Ca 0.52 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 57.23 2dip h ASP 63 Cb 0.62 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 2dip h ASP 63 CO -0.30 0.00 0.24 -1.28 -1.61 0.00 0.00 179.24 176.29 2dip h SER 64 N 0.00 0.14 -5.44 2.28 0.87 -0.86 -3.46 113.55 107.07 2dip h SER 64 Ca 0.35 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.63 2dip h SER 64 Cb 1.53 -0.03 0.18 0.00 -0.44 0.00 0.00 62.40 63.64 2dip h SER 64 CO -0.00 0.09 -0.79 -1.22 -0.53 0.00 0.00 176.83 174.38 2dip n TYR 65 N -4.47 -2.25 0.02 2.24 4.02 0.87 -4.97 117.16 112.63 2dip n TYR 65 Ca 0.05 0.87 -0.01 0.00 -0.01 0.00 0.00 57.90 58.80 2dip n TYR 65 Cb 0.32 -4.53 -0.00 0.00 -0.02 0.00 0.00 39.34 35.10 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 -3.27 0.08 -0.42 0.00 -0.00 -1.26 -2.95 115.22 107.40 2dip n HIS 67 Ca -0.01 0.04 0.37 0.00 -0.00 0.00 0.00 57.72 58.12 2dip n HIS 67 Cb 0.04 -0.56 0.65 0.00 -0.00 0.00 0.00 29.99 30.12 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 0.24 -0.75 0.27 3.38 -1.94 0.12 115.31 116.64 2dip h LEU 68 Ca 0.00 0.19 0.28 0.00 0.09 0.00 0.00 57.88 58.44 2dip h LEU 68 Cb 0.02 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 40.82 2dip h LEU 68 CO 0.00 -0.31 0.29 -1.20 0.09 0.00 0.00 178.44 177.31 2dip n SER 69 N -4.90 0.16 -4.96 -0.43 7.64 -1.15 -4.29 113.62 105.69 2dip n SER 69 Ca 0.39 1.26 -0.22 0.00 1.01 0.00 0.00 58.87 61.31 2dip n SER 69 Cb 1.47 -0.57 0.02 0.00 -1.01 0.00 0.00 64.21 64.11 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 -5.30 3.13 -0.41 1.43 3.76 0.43 -5.04 115.29 113.28 2dip s HIS 70 Ca -0.08 0.13 -0.27 0.00 -0.15 0.00 0.00 55.06 54.69 2dip s HIS 70 Cb 0.25 -2.38 0.02 0.00 1.11 0.00 0.00 32.58 31.57 2dip s HIS 70 CO 0.59 -0.44 1.02 0.99 -0.85 0.00 0.00 174.74 176.04 2dip s THR 71 N -2.56 4.43 0.31 1.30 2.01 -1.26 -4.99 115.64 114.88 2dip s THR 71 Ca 0.50 1.21 0.08 0.00 0.31 0.00 0.00 61.69 63.79 2dip s THR 71 Cb -0.10 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 2dip s THR 71 CO 0.37 -0.73 0.23 -0.36 -0.69 0.00 0.00 174.62 173.45 2dip s PHE 72 N 3.86 2.92 -0.09 4.92 0.40 -1.26 -1.20 117.98 127.53 2dip s PHE 72 Ca 0.42 -0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.44 2dip s PHE 72 Cb -0.10 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.83 2dip s PHE 72 CO 0.24 0.32 0.23 0.95 0.70 0.00 0.00 175.22 177.65 2dip s THR 73 N -2.27 -0.03 -0.05 0.64 -4.23 -0.99 -4.07 115.64 104.65 2dip s THR 73 Ca 0.38 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2dip s THR 73 Cb -0.06 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 2dip s THR 73 CO 0.25 0.04 0.06 0.72 -0.54 0.00 0.00 174.62 175.15 2dip s PHE 74 N 0.86 3.28 0.56 3.99 -0.12 -1.04 -2.49 117.98 123.01 2dip s PHE 74 Ca -0.06 0.24 0.06 0.00 -0.05 0.00 0.00 56.93 57.12 2dip s PHE 74 Cb -0.07 -1.78 0.06 0.00 -0.63 0.00 0.00 43.02 40.60 2dip s PHE 74 CO -0.05 0.55 0.48 2.89 -0.05 0.00 0.00 175.22 179.03 2dip n ARG 75 N 1.60 0.66 -4.44 1.99 1.85 -1.15 -0.04 116.66 117.14 2dip n ARG 75 Ca -0.16 -3.39 -0.21 0.00 -1.00 0.00 0.00 57.85 53.09 2dip n ARG 75 Cb 0.53 0.26 -0.10 0.00 -1.05 0.00 0.00 32.46 32.10 2dip n ARG 75 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dip s GLU 76 N -4.32 1.59 1.02 2.89 0.41 -1.25 -4.57 118.70 114.46 2dip s GLU 76 Ca 0.36 -1.84 -0.17 0.00 -0.41 0.00 0.00 54.97 52.91 2dip s GLU 76 Cb -0.03 -1.01 -0.01 0.00 -1.78 0.00 0.00 34.13 31.30 2dip s GLU 76 CO 0.23 -0.07 -0.20 0.36 -0.49 0.00 0.00 175.26 175.09 2dip n LYS 77 N -0.63 -0.63 -0.90 1.61 2.85 -1.26 -4.58 118.16 114.62 2dip n LYS 77 Ca -0.04 -0.16 -0.30 0.00 -1.05 0.00 0.00 58.31 56.76 2dip n LYS 77 Cb 0.65 -1.54 0.02 0.00 -0.65 0.00 0.00 35.03 33.50 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 -0.53 0.00 -3.32 -1.58 5.12 -1.26 -2.82 116.66 112.26 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 -0.80 0.06 0.00 -1.16 0.00 0.00 32.46 31.16 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 2.36 -5.44 -3.81 0.55 3.02 -1.26 -5.01 115.26 105.66 2dip n ASN 79 Ca 0.03 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 2dip n ASN 79 Cb 0.41 -4.06 -0.06 0.00 -0.61 0.00 0.00 39.78 35.46 2dip n ASN 79 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2dip s GLN 80 N -5.98 1.15 0.41 3.52 -1.52 -1.13 -5.11 119.66 111.00 2dip s GLN 80 Ca 0.44 -0.96 0.07 0.00 -1.95 0.00 0.00 55.36 52.97 2dip s GLN 80 Cb -0.20 0.43 -0.07 0.00 -0.22 0.00 0.00 33.01 32.95 2dip s GLN 80 CO 0.55 -0.44 0.06 0.15 -0.25 0.00 0.00 175.29 175.36 2dip s LYS 81 N -3.89 2.04 1.10 2.91 1.02 -1.26 -4.75 119.74 116.91 2dip s LYS 81 Ca 0.10 -2.03 -0.13 0.00 0.02 0.00 0.00 55.97 53.93 2dip s LYS 81 Cb 0.02 -1.74 0.25 0.00 -0.52 0.00 0.00 37.83 35.83 2dip s LYS 81 CO -0.05 -0.07 1.05 -1.58 -0.92 0.00 0.00 175.35 173.78 2dip s TRP 82 N -2.68 1.64 -0.09 3.18 0.52 -1.26 -3.92 118.94 116.33 2dip s TRP 82 Ca 0.37 1.12 -0.08 0.00 0.02 0.00 0.00 56.10 57.53 2dip s TRP 82 Cb 0.08 -3.16 0.03 0.00 -1.15 0.00 0.00 33.47 29.26 2dip s TRP 82 CO 0.19 -3.49 0.23 1.03 0.02 0.00 0.00 176.95 174.93 2dip s ARG 83 N -4.66 0.26 0.07 4.98 0.52 0.95 -4.94 118.95 116.13 2dip s ARG 83 Ca 0.67 0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 55.93 2dip s ARG 83 Cb -0.22 0.09 -0.06 0.00 0.52 0.00 0.00 34.95 35.27 2dip s ARG 83 CO 0.62 -0.05 1.25 -1.12 0.02 0.00 0.00 175.30 176.02 2dip s SER 84 N 0.30 7.01 0.37 0.23 0.01 -1.26 -2.50 113.70 117.85 2dip s SER 84 Ca -0.01 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.24 2dip s SER 84 Cb -0.03 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2dip s SER 84 CO -0.01 -0.53 0.71 -0.76 0.41 0.00 0.00 173.24 173.06 2dip s LEU 85 N 1.17 3.91 -0.07 2.44 1.43 -1.26 -4.98 118.68 121.33 2dip s LEU 85 Ca 0.60 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.65 2dip s LEU 85 Cb -0.31 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 2dip s LEU 85 CO 0.29 -0.33 0.23 -1.83 0.23 0.00 0.00 176.35 174.94 2dip s GLU 86 N -3.69 3.58 0.36 1.70 -1.05 -1.26 -5.01 118.70 113.33 2dip s GLU 86 Ca 0.50 0.01 -0.25 0.00 -0.15 0.00 0.00 54.97 55.07 2dip s GLU 86 Cb -0.10 -3.18 -0.09 0.00 -0.44 0.00 0.00 34.13 30.31 2dip s GLU 86 CO 0.30 0.73 1.02 0.15 0.95 0.00 0.00 175.26 178.41 2dip s LYS 87 N -1.18 4.35 -0.08 -4.83 -0.14 -1.26 -5.06 119.74 111.54 2dip s LYS 87 Ca 0.19 1.46 -0.10 0.00 -1.36 0.00 0.00 55.97 56.16 2dip s LYS 87 Cb -0.13 -2.68 0.02 0.00 -1.68 0.00 0.00 37.83 33.36 2dip s LYS 87 CO 0.09 0.04 0.27 1.03 -0.76 0.00 0.00 175.35 176.02 2dip s ARG 88 N -2.27 0.40 -0.22 1.68 1.81 -1.26 -5.15 118.95 113.94 2dip s ARG 88 Ca 0.54 0.22 -0.06 0.00 -1.72 0.00 0.00 55.73 54.72 2dip s ARG 88 Cb -0.21 0.19 0.11 0.00 -0.45 0.00 0.00 34.95 34.59 2dip s ARG 88 CO 0.27 -0.07 0.44 0.00 -0.68 0.00 0.00 175.30 175.26 2dip s ALA 89 N -0.25 -1.28 -0.16 2.13 0.00 -1.26 -5.04 121.76 115.91 2dip s ALA 89 Ca -0.04 1.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 2dip s ALA 89 Cb -0.03 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.49 2dip s ALA 89 CO 0.01 -0.95 -0.18 -0.25 0.00 0.00 0.00 175.76 174.39 2dip n ASP 90 N 5.39 1.87 -3.63 0.00 8.00 -1.26 -5.06 116.55 121.86 2dip n ASP 90 Ca -0.07 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 2dip n ASP 90 Cb 0.50 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 2dip n ASP 90 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2dip s GLU 91 N -2.30 0.83 -0.12 -1.24 1.03 -1.26 -5.16 118.70 110.48 2dip s GLU 91 Ca -0.22 0.90 -0.13 0.00 0.03 0.00 0.00 54.97 55.55 2dip s GLU 91 Cb 0.07 0.40 -0.05 0.00 -0.80 0.00 0.00 34.13 33.76 2dip s GLU 91 CO 0.32 -0.12 0.29 0.54 -1.33 0.00 0.00 175.26 174.96 2dip s VAL 92 N 0.23 5.28 0.05 1.83 0.11 -1.26 -4.98 120.40 121.65 2dip s VAL 92 Ca -0.01 0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 59.55 2dip s VAL 92 Cb -0.04 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.19 2dip s VAL 92 CO 0.02 0.48 -0.06 -0.24 -3.33 0.00 0.00 175.10 171.96 2dip n SER 93 N 2.85 1.26 -3.79 3.54 2.88 -1.26 -5.13 113.62 113.97 2dip n SER 93 Ca -0.14 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 2dip n SER 93 Cb 0.53 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.54 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 -4.16 -0.03 0.19 0.46 0.00 -1.26 -5.05 107.32 97.47 2dip s GLY 94 Ca -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 2dip s GLY 94 CO 0.08 -0.24 1.55 -0.56 0.00 0.00 0.00 173.10 173.93 2dip h PRO 95 N 2.14 0.68 -6.81 2.90 0.13 -2.00 -3.47 132.00 125.56 2dip h PRO 95 Ca -0.26 -0.36 -0.56 0.00 -0.87 0.00 0.00 66.00 63.95 2dip h PRO 95 Cb 1.26 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.18 2dip h PRO 95 CO 0.33 0.97 -0.86 0.43 -0.23 0.00 0.00 178.00 178.64 2dip n SER 96 N -4.03 -2.47 0.22 1.44 7.64 -1.26 -4.87 113.62 110.29 2dip n SER 96 Ca -0.02 -1.07 -0.10 0.00 1.01 0.00 0.00 58.87 58.70 2dip n SER 96 Cb 0.53 -2.54 -0.05 0.00 -1.01 0.00 0.00 64.21 61.15 2dip n SER 96 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dip h SER 97 N -1.46 -0.53 0.00 6.43 0.87 -1.99 -3.49 113.55 113.39 2dip h SER 97 Ca -0.60 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2dip h SER 97 Cb 1.38 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2dip h SER 97 CO 0.78 -0.14 0.00 0.61 -0.53 0.00 0.00 176.83 177.55