#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 5.99 -0.02 1.61 0.01 -1.26 -5.13 113.70 114.90 2dip s SER 2 Ca 0.00 0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.18 2dip s SER 2 Cb 0.00 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.54 2dip s SER 2 CO 0.00 0.02 0.19 -0.94 0.41 0.00 0.00 173.24 172.92 2dip s SER 3 N -3.41 -0.08 0.00 2.44 1.04 -1.26 -5.15 113.70 107.28 2dip s SER 3 Ca 0.33 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2dip s SER 3 Cb -0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2dip s SER 3 CO 0.27 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2dip n GLY 4 N 1.78 2.97 3.55 7.32 0.00 -1.26 -5.08 105.19 114.48 2dip n GLY 4 Ca -0.20 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 2dip n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dip s SER 5 N 0.00 5.30 0.13 1.61 0.01 -1.26 -4.79 113.70 114.70 2dip s SER 5 Ca 0.00 -0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.07 2dip s SER 5 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2dip s SER 5 CO 0.00 -2.47 1.30 0.77 0.41 0.00 0.00 173.24 173.26 2dip h SER 6 N 13.14 0.48 -3.37 2.44 4.64 -2.05 -3.48 113.55 125.34 2dip h SER 6 Ca -0.11 -0.39 -0.12 0.00 -0.47 0.00 0.00 61.79 60.70 2dip h SER 6 Cb 1.09 -0.15 0.06 0.00 -0.31 0.00 0.00 62.40 63.10 2dip h SER 6 CO 1.23 1.20 -0.29 0.61 -0.87 0.00 0.00 176.83 178.70 2dip n GLY 7 N 0.98 0.14 3.09 -0.77 0.00 -1.26 -5.06 105.19 102.30 2dip n GLY 7 Ca -0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.63 0.16 -0.30 0.99 1.43 -1.26 -5.14 118.68 110.93 2dip s LEU 8 Ca 0.00 0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 53.56 2dip s LEU 8 Cb -0.00 0.85 0.15 0.00 0.03 0.00 0.00 46.19 47.22 2dip s LEU 8 CO 0.27 -0.19 0.96 -0.70 0.23 0.00 0.00 176.35 176.93 2dip s GLU 9 N 1.55 0.35 -0.16 1.70 2.56 -1.26 -5.18 118.70 118.26 2dip s GLU 9 Ca -0.07 0.75 -0.31 0.00 0.00 0.00 0.00 54.97 55.34 2dip s GLU 9 Cb -0.10 0.31 0.14 0.00 2.00 0.00 0.00 34.13 36.47 2dip s GLU 9 CO -0.09 -0.10 1.10 -1.83 -0.56 0.00 0.00 175.26 173.78 2dip s GLU 10 N 2.01 0.46 -0.61 4.30 1.03 -1.26 -5.11 118.70 119.52 2dip s GLU 10 Ca -0.06 -0.02 0.04 0.00 0.03 0.00 0.00 54.97 54.96 2dip s GLU 10 Cb -0.05 0.21 0.15 0.00 -0.80 0.00 0.00 34.13 33.64 2dip s GLU 10 CO -0.17 -0.17 0.37 0.12 -1.33 0.00 0.00 175.26 174.09 2dip s PHE 11 N -1.77 3.36 -0.30 4.83 5.36 -1.26 -5.02 117.98 123.19 2dip s PHE 11 Ca 0.04 -3.23 -0.13 0.00 -0.96 0.00 0.00 56.93 52.65 2dip s PHE 11 Cb -0.01 -2.79 0.15 0.00 -0.34 0.00 0.00 43.02 40.03 2dip s PHE 11 CO -0.04 -0.66 0.87 -1.59 -1.46 0.00 0.00 175.22 172.34 2dip s LYS 12 N -0.79 0.40 -0.30 10.12 -2.85 -1.26 -5.15 119.74 119.91 2dip s LYS 12 Ca 0.20 0.99 -0.15 0.00 -1.00 0.00 0.00 55.97 56.01 2dip s LYS 12 Cb -0.17 0.57 0.16 0.00 -2.06 0.00 0.00 37.83 36.34 2dip s LYS 12 CO -0.07 -0.13 0.98 1.21 0.10 0.00 0.00 175.35 177.43 2dip s ASN 13 N 2.55 -0.59 -0.30 0.03 2.47 -1.26 -5.14 114.94 112.70 2dip s ASN 13 Ca -0.04 0.81 0.00 0.00 0.42 0.00 0.00 52.86 54.05 2dip s ASN 13 Cb -0.08 1.67 0.19 0.00 -1.45 0.00 0.00 41.25 41.59 2dip s ASN 13 CO -0.18 -0.11 0.67 -0.94 -3.72 0.00 0.00 177.10 172.81 2dip s SER 14 N 2.46 -1.34 -0.28 -4.21 1.04 -1.26 -5.15 113.70 104.96 2dip s SER 14 Ca -0.03 0.49 -0.23 0.00 0.48 0.00 0.00 55.95 56.66 2dip s SER 14 Cb -0.06 1.98 0.13 0.00 0.10 0.00 0.00 66.02 68.17 2dip s SER 14 CO -0.18 -0.25 1.04 -0.94 0.98 0.00 0.00 173.24 173.89 2dip s SER 15 N 2.86 -0.45 0.26 7.02 1.04 -1.26 -5.18 113.70 118.00 2dip s SER 15 Ca 0.15 0.84 0.11 0.00 0.48 0.00 0.00 55.95 57.53 2dip s SER 15 Cb -0.12 0.91 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 2dip s SER 15 CO -0.22 -0.14 -0.18 -1.59 0.98 0.00 0.00 173.24 172.09 2dip s LYS 16 N 0.41 1.59 0.37 4.02 0.00 -1.26 -5.14 119.74 119.74 2dip s LYS 16 Ca 0.01 -1.73 -0.18 0.00 0.00 0.00 0.00 55.97 54.07 2dip s LYS 16 Cb -0.05 -1.58 -0.10 0.00 0.00 0.00 0.00 37.83 36.10 2dip s LYS 16 CO -0.08 0.27 0.84 -0.51 0.00 0.00 0.00 175.35 175.87 2dip s LEU 17 N -3.46 4.02 -1.18 2.77 1.43 -1.26 -4.97 118.68 116.02 2dip s LEU 17 Ca 0.28 1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.66 2dip s LEU 17 Cb -0.03 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.96 2dip s LEU 17 CO 0.13 -0.27 1.67 -0.69 0.23 0.00 0.00 176.35 177.42 2dip s VAL 18 N -2.05 3.98 0.54 -1.59 1.01 -1.26 -4.98 120.40 116.06 2dip s VAL 18 Ca 0.57 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 2dip s VAL 18 Cb -0.10 -5.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.18 2dip s VAL 18 CO 0.16 -1.87 1.27 0.00 0.00 0.00 0.00 175.10 174.66 2dip s ALA 19 N 5.26 2.77 0.26 5.51 0.00 -1.26 -5.03 121.76 129.27 2dip s ALA 19 Ca 0.53 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.71 2dip s ALA 19 Cb 0.02 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2dip s ALA 19 CO 0.02 -1.16 0.25 0.00 0.00 0.00 0.00 175.76 174.87 2dip s ALA 20 N -1.43 3.71 0.27 0.00 0.00 -1.26 -5.13 121.76 117.91 2dip s ALA 20 Ca 0.72 -1.39 0.12 0.00 0.00 0.00 0.00 51.96 51.40 2dip s ALA 20 Cb -0.35 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 2dip s ALA 20 CO 0.41 0.22 -0.20 0.00 0.00 0.00 0.00 175.76 176.19 2dip s ALA 21 N -2.11 2.66 0.08 0.00 0.00 -1.26 -5.15 121.76 115.98 2dip s ALA 21 Ca 0.34 -1.85 -0.14 0.00 0.00 0.00 0.00 51.96 50.32 2dip s ALA 21 Cb -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2dip s ALA 21 CO 0.26 0.27 0.32 -1.21 0.00 0.00 0.00 175.76 175.40 2dip s GLU 22 N -3.48 0.91 -0.47 0.00 0.41 -1.26 -5.12 118.70 109.69 2dip s GLU 22 Ca 0.29 -0.67 0.03 0.00 -0.41 0.00 0.00 54.97 54.20 2dip s GLU 22 Cb -0.05 0.39 0.14 0.00 -1.78 0.00 0.00 34.13 32.83 2dip s GLU 22 CO 0.14 -0.32 0.26 0.15 -0.49 0.00 0.00 175.26 175.00 2dip s LYS 23 N -3.29 1.48 -0.29 1.61 1.02 -1.26 -5.06 119.74 113.94 2dip s LYS 23 Ca 0.00 -2.20 -0.22 0.00 0.02 0.00 0.00 55.97 53.57 2dip s LYS 23 Cb 0.02 -2.58 0.16 0.00 -0.52 0.00 0.00 37.83 34.90 2dip s LYS 23 CO -0.08 -1.16 1.18 -1.83 -0.92 0.00 0.00 175.35 172.54 2dip s GLU 24 N 0.13 0.29 0.63 1.68 -1.05 -1.26 -5.18 118.70 113.93 2dip s GLU 24 Ca 0.18 0.38 0.02 0.00 -0.15 0.00 0.00 54.97 55.41 2dip s GLU 24 Cb -0.23 0.12 0.09 0.00 -0.44 0.00 0.00 34.13 33.66 2dip s GLU 24 CO -0.01 -0.04 0.87 -0.98 0.95 0.00 0.00 175.26 176.05 2dip s ARG 25 N 0.46 2.10 0.11 -4.83 3.03 -1.26 -4.84 118.95 113.73 2dip s ARG 25 Ca 0.01 -1.14 -0.25 0.00 2.03 0.00 0.00 55.73 56.39 2dip s ARG 25 Cb -0.04 -2.46 0.07 0.00 -1.03 0.00 0.00 34.95 31.48 2dip s ARG 25 CO -0.11 -1.06 0.61 -0.48 -1.13 0.00 0.00 175.30 173.13 2dip s LEU 26 N -4.90 -0.58 -1.38 -1.89 2.34 -1.26 -4.94 118.68 106.08 2dip s LEU 26 Ca 0.62 0.16 -0.02 0.00 0.06 0.00 0.00 54.13 54.95 2dip s LEU 26 Cb -0.07 2.57 0.00 0.00 -0.56 0.00 0.00 46.19 48.14 2dip s LEU 26 CO 0.41 -0.89 0.25 -0.67 -1.06 0.00 0.00 176.35 174.39 2dip n ASP 27 N -0.09 -5.19 -2.66 1.48 2.03 -1.26 -2.90 116.55 107.96 2dip n ASP 27 Ca -0.17 -0.12 -0.15 0.00 0.52 0.00 0.00 54.79 54.86 2dip n ASP 27 Cb 0.63 -4.16 -0.03 0.00 -0.72 0.00 0.00 41.12 36.85 2dip n ASP 27 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2dip n LYS 28 N -3.04 -1.46 -2.97 -0.67 0.00 -1.26 -4.75 118.16 104.01 2dip n LYS 28 Ca -0.15 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.79 2dip n LYS 28 Cb 0.63 -2.88 0.01 0.00 -0.00 0.00 0.00 35.03 32.79 2dip n LYS 28 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2dip n HIS 29 N -2.20 2.34 0.06 5.58 -0.00 -1.14 -4.73 115.22 115.13 2dip n HIS 29 Ca 0.04 -2.62 -0.22 0.00 0.46 0.00 0.00 57.72 55.38 2dip n HIS 29 Cb 0.29 -1.22 -0.15 0.00 -0.12 0.00 0.00 29.99 28.80 2dip n HIS 29 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2dip h LEU 30 N 5.21 0.56 0.00 0.27 -0.00 -1.88 -3.42 115.31 116.06 2dip h LEU 30 Ca 0.24 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 2dip h LEU 30 Cb 0.57 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2dip h LEU 30 CO 1.30 1.65 0.00 0.61 -0.00 0.00 0.00 178.44 182.00 2dip n GLY 31 N 1.76 0.99 2.97 0.83 0.00 -1.26 -4.43 105.19 106.06 2dip n GLY 31 Ca -0.21 0.22 -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 -0.01 0.71 -0.61 1.01 -1.26 -5.16 121.20 115.88 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 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.33 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 2.56 0.50 2.79 0.04 -1.26 -4.82 135.00 134.99 2dip s PRO 33 Ca -0.01 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.11 2dip s PRO 33 Cb -0.02 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2dip s PRO 33 CO -0.01 -1.43 1.23 0.00 0.04 0.00 0.00 177.00 176.84 2dip n ASN 35 N -0.78 1.25 0.00 0.00 4.13 0.21 -3.01 115.26 117.06 2dip n ASN 35 Ca 0.09 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.35 2dip n ASN 35 Cb 0.47 0.40 0.00 0.00 -1.54 0.00 0.00 39.78 39.11 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 -0.73 0.00 0.17 6.41 5.15 -1.26 -4.71 115.26 120.29 2dip n ASN 36 Ca 0.09 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.19 2dip n ASN 36 Cb 0.38 -0.35 0.28 0.00 -0.53 0.00 0.00 39.78 39.56 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 -2.74 -6.54 -2.93 0.00 4.01 -1.16 -4.96 118.16 103.84 2dip n LYS 38 Ca 0.05 0.75 -0.42 0.00 -0.51 0.00 0.00 58.31 58.18 2dip n LYS 38 Cb 0.48 -5.52 -0.05 0.00 -0.51 0.00 0.00 35.03 29.43 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 -5.69 4.14 -0.12 1.97 0.74 -1.26 -4.77 119.66 114.67 2dip s GLN 39 Ca 0.26 0.83 -0.05 0.00 0.05 0.00 0.00 55.36 56.45 2dip s GLN 39 Cb -0.11 -3.66 0.06 0.00 1.10 0.00 0.00 33.01 30.40 2dip s GLN 39 CO 0.65 -0.53 0.26 0.12 -0.55 0.00 0.00 175.29 175.24 2dip s PHE 40 N 2.81 -0.39 0.86 1.67 5.36 -1.26 -3.23 117.98 123.79 2dip s PHE 40 Ca 0.33 0.92 -0.11 0.00 -0.96 0.00 0.00 56.93 57.11 2dip s PHE 40 Cb -0.15 -0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.62 2dip s PHE 40 CO 0.08 -0.32 1.09 -1.25 -1.46 0.00 0.00 175.22 173.37 2dip s PRO 41 N 2.07 1.58 -0.47 10.12 0.04 -1.26 -5.00 135.00 142.09 2dip s PRO 41 Ca -0.02 0.93 -0.23 0.00 0.04 0.00 0.00 61.00 61.73 2dip s PRO 41 Cb -0.11 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dip s PRO 41 CO -0.09 -2.05 0.79 0.42 0.04 0.00 0.00 177.00 176.12 2dip s ILE 42 N -2.93 4.63 0.08 0.56 1.01 -1.22 -4.95 121.20 118.40 2dip s ILE 42 Ca 0.63 0.32 -0.33 0.00 0.00 0.00 0.00 60.65 61.27 2dip s ILE 42 Cb -0.18 -4.35 -0.16 0.00 0.01 0.00 0.00 42.46 37.78 2dip s ILE 42 CO 0.57 -0.78 1.61 -0.33 0.00 0.00 0.00 174.94 176.01 2dip h GLU 43 N 9.03 -0.85 0.00 2.79 4.39 -1.96 -3.44 114.58 124.54 2dip h GLU 43 Ca -0.25 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 2dip h GLU 43 Cb 1.08 0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2dip h GLU 43 CO 0.98 -0.56 0.00 0.41 -1.16 0.00 0.00 179.01 178.67 2dip n GLY 44 N -1.50 -2.90 3.47 -3.84 0.00 -1.26 -5.01 105.19 94.15 2dip n GLY 44 Ca -0.12 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2dip n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dip s LYS 45 N -3.08 -1.67 -0.30 1.61 -0.14 -1.26 -4.76 119.74 110.14 2dip s LYS 45 Ca 0.02 0.27 -0.04 0.00 -1.36 0.00 0.00 55.97 54.86 2dip s LYS 45 Cb -0.00 -1.51 0.03 0.00 -1.68 0.00 0.00 37.83 34.66 2dip s LYS 45 CO 0.02 -4.08 0.03 0.00 -0.76 0.00 0.00 175.35 170.57 2dip s TYR 47 N 1.37 3.24 -0.11 0.00 1.51 0.53 -2.02 117.35 121.88 2dip s TYR 47 Ca -0.01 0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 55.98 2dip s TYR 47 Cb -0.18 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2dip s TYR 47 CO 0.00 0.52 0.28 0.21 -1.11 0.00 0.00 175.55 175.45 2dip s LYS 48 N -3.14 0.30 -0.06 -0.62 2.20 -0.22 -1.43 119.74 116.77 2dip s LYS 48 Ca 0.32 0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 56.10 2dip s LYS 48 Cb -0.10 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 2dip s LYS 48 CO 0.25 -0.08 0.88 0.00 -0.36 0.00 0.00 175.35 176.05 2dip n THR 50 N 4.11 0.00 -0.02 0.00 -2.24 -0.24 -3.82 114.28 112.07 2dip n THR 50 Ca 0.04 -0.21 0.02 0.00 -2.27 0.00 0.00 64.05 61.64 2dip n THR 50 Cb 0.50 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.08 0.93 -1.97 -0.78 1.02 -1.26 -4.99 120.64 113.52 2dip n GLU 51 Ca 0.17 -0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 2dip n GLU 51 Cb 0.35 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 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 -0.69 2.25 -1.64 0.00 1.01 -1.26 -4.70 121.20 116.17 2dip s ILE 53 Ca 0.26 -1.20 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 2dip s ILE 53 Cb -0.02 -1.84 0.21 0.00 0.01 0.00 0.00 42.46 40.81 2dip s ILE 53 CO 0.16 0.47 0.52 -1.84 0.00 0.00 0.00 174.94 174.25 2dip n GLU 54 N 2.06 -0.82 -4.37 2.79 0.28 -1.26 -4.88 120.64 114.45 2dip n GLU 54 Ca -0.16 0.12 -0.34 0.00 -0.16 0.00 0.00 57.16 56.62 2dip n GLU 54 Cb 0.52 -4.25 -0.12 0.00 1.43 0.00 0.00 31.44 29.01 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 -2.98 3.01 -0.11 -1.84 6.14 -1.26 -4.98 117.35 115.33 2dip s TYR 55 Ca 0.73 -0.36 -0.06 0.00 0.64 0.00 0.00 57.07 58.02 2dip s TYR 55 Cb -0.42 -1.97 0.04 0.00 0.42 0.00 0.00 41.96 40.03 2dip s TYR 55 CO 0.89 -0.09 0.25 -1.01 0.64 0.00 0.00 175.55 176.24 2dip s HIS 56 N 0.47 -0.34 0.40 4.97 3.76 -1.26 -1.98 115.29 121.32 2dip s HIS 56 Ca -0.04 0.79 0.07 0.00 -0.15 0.00 0.00 55.06 55.74 2dip s HIS 56 Cb -0.14 0.07 -0.06 0.00 1.11 0.00 0.00 32.58 33.55 2dip s HIS 56 CO 0.03 -0.22 0.10 -0.51 -0.85 0.00 0.00 174.74 173.28 2dip s LEU 57 N 1.11 3.01 -0.01 0.89 1.43 -0.51 0.66 118.68 125.26 2dip s LEU 57 Ca -0.08 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 51.88 2dip s LEU 57 Cb -0.09 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2dip s LEU 57 CO -0.08 -0.46 -0.06 0.00 0.23 0.00 0.00 176.35 175.98 2dip n GLN 59 N 1.64 -0.03 0.21 0.00 -0.06 -1.21 0.18 117.38 118.11 2dip n GLN 59 Ca -0.16 0.86 -0.08 0.00 -2.00 0.00 0.00 57.00 55.62 2dip n GLN 59 Cb 0.53 -1.61 -0.04 0.00 -4.06 0.00 0.00 30.24 25.06 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 -0.51 -0.94 3.69 4.57 -1.94 -2.96 114.58 116.48 2dip h GLU 60 Ca 0.56 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.96 2dip h GLU 60 Cb 1.63 0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 30.23 2dip h GLU 60 CO -0.42 -0.34 0.53 0.00 -1.18 0.00 0.00 179.01 177.60 2dip h PHE 62 N 0.67 0.97 0.00 0.00 3.57 -1.06 0.53 116.94 121.63 2dip h PHE 62 Ca 0.55 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.08 2dip h PHE 62 Cb 0.86 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 2dip h PHE 62 CO -0.05 0.15 -0.00 0.22 -2.23 0.00 0.00 178.31 176.40 2dip h ASP 63 N 0.64 0.00 -0.40 0.41 3.58 -0.68 -1.51 116.42 118.45 2dip h ASP 63 Ca 0.60 0.00 0.12 0.00 0.42 0.00 0.00 57.03 58.16 2dip h ASP 63 Cb 1.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2dip h ASP 63 CO -0.39 0.00 0.37 0.28 -2.88 0.00 0.00 179.24 176.62 2dip h SER 64 N 0.00 0.00 -5.60 2.28 0.02 0.04 -3.46 113.55 106.83 2dip h SER 64 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 2dip h SER 64 Cb 0.01 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.72 2dip h SER 64 CO 0.00 0.00 -0.81 -1.22 -1.14 0.00 0.00 176.83 173.66 2dip n TYR 65 N -3.93 -2.28 -0.01 3.45 4.02 -0.57 -4.95 117.16 112.89 2dip n TYR 65 Ca 0.07 0.89 -0.02 0.00 -0.01 0.00 0.00 57.90 58.83 2dip n TYR 65 Cb 0.55 -4.64 -0.01 0.00 -0.02 0.00 0.00 39.34 35.22 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 -2.94 0.28 -0.53 0.00 -0.00 -1.26 -4.12 115.22 106.65 2dip n HIS 67 Ca -0.03 0.08 0.45 0.00 -0.00 0.00 0.00 57.72 58.22 2dip n HIS 67 Cb 0.53 -0.47 0.77 0.00 -0.00 0.00 0.00 29.99 30.82 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 -1.80 0.27 4.07 -1.89 0.23 115.31 116.18 2dip h LEU 68 Ca 0.00 0.00 0.46 0.00 0.08 0.00 0.00 57.88 58.42 2dip h LEU 68 Cb 0.63 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.29 2dip h LEU 68 CO 0.00 0.00 1.08 -1.28 -1.08 0.00 0.00 178.44 177.16 2dip h SER 69 N 0.00 0.09 -2.77 -0.43 0.87 -1.93 -3.39 113.55 105.99 2dip h SER 69 Ca 0.77 0.04 -0.58 0.00 -1.23 0.00 0.00 61.79 60.79 2dip h SER 69 Cb 3.21 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 65.16 2dip h SER 69 CO -0.01 -0.05 -0.51 -1.00 -0.53 0.00 0.00 176.83 174.73 2dip s HIS 70 N -5.04 3.40 -0.51 2.24 3.76 0.79 -5.04 115.29 114.89 2dip s HIS 70 Ca -0.06 0.13 -0.28 0.00 -0.15 0.00 0.00 55.06 54.70 2dip s HIS 70 Cb 0.27 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.29 2dip s HIS 70 CO 0.85 0.54 1.67 0.99 -0.85 0.00 0.00 174.74 177.94 2dip s THR 71 N -1.62 3.56 0.53 1.30 2.01 -1.26 -4.93 115.64 115.23 2dip s THR 71 Ca 0.33 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.83 2dip s THR 71 Cb -0.12 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.39 2dip s THR 71 CO 0.27 -0.86 0.74 -0.36 -0.69 0.00 0.00 174.62 173.71 2dip s PHE 72 N 7.33 2.71 -0.09 4.92 0.40 -1.26 -1.08 117.98 130.91 2dip s PHE 72 Ca 0.65 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.78 2dip s PHE 72 Cb -0.15 -2.66 0.04 0.00 0.51 0.00 0.00 43.02 40.77 2dip s PHE 72 CO 0.26 -0.83 0.21 0.95 0.70 0.00 0.00 175.22 176.52 2dip s THR 73 N -2.68 -0.04 -0.08 0.64 -4.23 0.39 -3.85 115.64 105.78 2dip s THR 73 Ca 0.57 0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2dip s THR 73 Cb -0.10 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 2dip s THR 73 CO 0.37 0.06 0.02 0.72 -0.54 0.00 0.00 174.62 175.25 2dip s PHE 74 N 1.08 3.22 0.57 3.99 -0.12 -1.12 -1.06 117.98 124.53 2dip s PHE 74 Ca -0.08 0.23 0.06 0.00 -0.05 0.00 0.00 56.93 57.10 2dip s PHE 74 Cb -0.09 -1.80 0.06 0.00 -0.63 0.00 0.00 43.02 40.56 2dip s PHE 74 CO -0.07 0.51 0.54 2.89 -0.05 0.00 0.00 175.22 179.04 2dip n ARG 75 N 2.07 0.65 -4.43 1.99 1.85 -0.86 0.41 116.66 118.34 2dip n ARG 75 Ca -0.18 -3.38 -0.21 0.00 -1.00 0.00 0.00 57.85 53.07 2dip n ARG 75 Cb 0.54 0.18 -0.10 0.00 -1.05 0.00 0.00 32.46 32.03 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 -4.40 1.57 1.01 2.89 0.41 -1.26 -4.49 118.70 114.43 2dip s GLU 76 Ca 0.41 -1.83 -0.17 0.00 -0.41 0.00 0.00 54.97 52.97 2dip s GLU 76 Cb -0.03 -0.95 -0.01 0.00 -1.78 0.00 0.00 34.13 31.36 2dip s GLU 76 CO 0.26 -0.08 -0.16 0.36 -0.49 0.00 0.00 175.26 175.14 2dip n LYS 77 N -0.61 -0.57 -0.96 1.61 2.85 -1.26 -4.63 118.16 114.59 2dip n LYS 77 Ca -0.04 -0.15 -0.33 0.00 -1.05 0.00 0.00 58.31 56.75 2dip n LYS 77 Cb 0.65 -1.55 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 -3.23 -1.58 5.12 -1.26 -2.99 116.66 112.19 2dip n ARG 78 Ca 0.02 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.77 2dip n ARG 78 Cb 0.59 -0.87 0.05 0.00 -1.16 0.00 0.00 32.46 31.07 2dip n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2dip n ASN 79 N 2.70 -5.16 -2.09 0.55 5.15 -1.26 -5.00 115.26 110.15 2dip n ASN 79 Ca 0.02 -0.37 -0.08 0.00 -0.60 0.00 0.00 54.58 53.55 2dip n ASN 79 Cb 0.46 -3.79 -0.02 0.00 -0.53 0.00 0.00 39.78 35.89 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 -3.69 0.33 -3.91 1.20 1.13 -1.16 -5.12 117.38 106.16 2dip n GLN 80 Ca -0.01 -1.55 -0.10 0.00 -1.94 0.00 0.00 57.00 53.40 2dip n GLN 80 Cb 0.55 1.43 -0.09 0.00 0.11 0.00 0.00 30.24 32.24 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 -2.50 0.55 0.99 -1.09 -0.14 -1.26 -4.91 119.74 111.38 2dip s LYS 81 Ca 0.17 -0.64 -0.16 0.00 -1.36 0.00 0.00 55.97 53.97 2dip s LYS 81 Cb -0.00 0.22 -0.05 0.00 -1.68 0.00 0.00 37.83 36.32 2dip s LYS 81 CO 0.12 -0.14 -0.25 0.91 -0.76 0.00 0.00 175.35 175.23 2dip n TRP 82 N 0.99 -2.91 -3.77 3.18 7.02 -1.26 -4.31 117.44 116.38 2dip n TRP 82 Ca -0.20 0.15 -0.19 0.00 -1.02 0.00 0.00 57.50 56.24 2dip n TRP 82 Cb 0.57 -1.60 -0.17 0.00 -2.42 0.00 0.00 31.31 27.70 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 -2.86 0.16 0.14 -0.99 0.52 0.17 -4.93 118.95 111.15 2dip s ARG 83 Ca 0.49 0.22 -0.32 0.00 -0.52 0.00 0.00 55.73 55.60 2dip s ARG 83 Cb -0.17 -0.55 -0.11 0.00 0.52 0.00 0.00 34.95 34.64 2dip s ARG 83 CO 0.73 -0.25 1.78 -1.13 0.02 0.00 0.00 175.30 176.45 2dip n SER 84 N 4.81 3.92 -4.91 0.23 3.41 -1.26 -2.81 113.62 117.01 2dip n SER 84 Ca -0.13 1.02 -0.27 0.00 -0.26 0.00 0.00 58.87 59.22 2dip n SER 84 Cb 0.50 -1.54 0.01 0.00 -0.26 0.00 0.00 64.21 62.92 2dip n SER 84 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dip s LEU 85 N 2.14 3.56 -0.32 1.04 1.43 -1.25 -4.96 118.68 120.32 2dip s LEU 85 Ca 0.80 0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 54.68 2dip s LEU 85 Cb -0.51 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 41.97 2dip s LEU 85 CO 0.36 -0.67 0.08 -1.61 0.23 0.00 0.00 176.35 174.75 2dip s GLU 86 N -4.77 2.81 0.26 1.70 2.02 -1.26 -4.97 118.70 114.48 2dip s GLU 86 Ca 0.48 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 2dip s GLU 86 Cb -0.10 -3.40 -0.14 0.00 0.10 0.00 0.00 34.13 30.59 2dip s GLU 86 CO 0.44 -0.57 1.12 0.36 0.02 0.00 0.00 175.26 176.64 2dip n LYS 87 N 4.82 1.46 -3.45 1.61 2.85 -1.26 -1.37 118.16 122.82 2dip n LYS 87 Ca -0.13 0.52 -0.26 0.00 -1.05 0.00 0.00 58.31 57.38 2dip n LYS 87 Cb 0.46 -1.97 -0.05 0.00 -0.65 0.00 0.00 35.03 32.82 2dip n LYS 87 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dip n ARG 88 N 1.13 -0.84 -4.23 -1.58 0.63 -1.26 0.52 116.66 111.03 2dip n ARG 88 Ca 0.11 0.08 -0.37 0.00 -0.92 0.00 0.00 57.85 56.76 2dip n ARG 88 Cb 0.30 -2.87 -0.06 0.00 0.45 0.00 0.00 32.46 30.29 2dip n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dip n ALA 89 N -2.81 -2.21 -3.72 5.13 0.00 -0.47 -4.93 120.51 111.49 2dip n ALA 89 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2dip n ALA 89 Cb 0.30 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 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 -4.09 -0.23 0.03 0.00 2.15 0.18 -5.11 116.67 109.60 2dip s ASP 90 Ca 0.17 0.57 0.09 0.00 0.43 0.00 0.00 52.55 53.81 2dip s ASP 90 Cb -0.10 0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 42.97 2dip s ASP 90 CO 0.98 -0.18 -0.25 -0.70 -0.17 0.00 0.00 175.17 174.85 2dip s GLU 91 N 1.38 1.89 0.47 4.34 2.12 -1.26 -4.32 118.70 123.32 2dip s GLU 91 Ca -0.08 -1.06 -0.24 0.00 0.36 0.00 0.00 54.97 53.94 2dip s GLU 91 Cb -0.10 -2.02 -0.07 0.00 0.26 0.00 0.00 34.13 32.20 2dip s GLU 91 CO -0.09 0.52 1.34 0.54 -0.54 0.00 0.00 175.26 177.03 2dip s VAL 92 N -0.78 2.36 -0.28 3.70 0.11 -1.26 -5.03 120.40 119.22 2dip s VAL 92 Ca 0.12 0.30 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 2dip s VAL 92 Cb -0.10 -3.17 0.10 0.00 -1.53 0.00 0.00 36.38 31.68 2dip s VAL 92 CO 0.02 0.02 0.76 -0.55 -3.33 0.00 0.00 175.10 172.03 2dip s SER 93 N -0.81 -0.84 0.00 3.54 0.15 -1.26 -5.14 113.70 109.33 2dip s SER 93 Ca 0.63 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.62 2dip s SER 93 Cb -0.39 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 2dip s SER 93 CO 0.49 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dip n GLY 94 N 4.22 0.50 1.27 9.45 0.00 -1.26 -4.71 105.19 114.66 2dip n GLY 94 Ca -0.19 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.80 0.14 1.61 -0.04 -1.05 -5.01 135.00 128.85 2dip n PRO 95 Ca 0.00 -0.64 -0.06 0.00 -0.04 0.00 0.00 63.50 62.76 2dip n PRO 95 Cb 0.00 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 2dip n PRO 95 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dip h SER 96 N -1.64 -0.36 -0.83 3.54 0.02 -2.07 -3.34 113.55 108.87 2dip h SER 96 Ca -0.15 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.89 2dip h SER 96 Cb 0.46 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 62.99 2dip h SER 96 CO 0.10 -0.02 -0.52 0.28 -1.14 0.00 0.00 176.83 175.54 2dip h SER 97 N -0.90 -1.88 0.00 3.07 0.02 -1.96 -3.52 113.55 108.39 2dip h SER 97 Ca -0.04 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2dip h SER 97 Cb 0.32 0.83 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2dip h SER 97 CO 0.07 -0.22 0.00 0.61 -1.14 0.00 0.00 176.83 176.15