#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 0.49 0.17 1.61 0.15 -1.26 -5.17 113.70 109.69 2dip s SER 2 Ca 0.00 -1.45 0.07 0.00 0.70 0.00 0.00 55.95 55.27 2dip s SER 2 Cb 0.00 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2dip s SER 2 CO 0.00 -0.92 0.01 -0.55 1.20 0.00 0.00 173.24 172.98 2dip s SER 3 N -3.20 4.83 0.00 5.45 0.15 -1.26 -5.13 113.70 114.54 2dip s SER 3 Ca 0.38 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dip s SER 3 Cb 0.05 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2dip s SER 3 CO 0.16 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2dip n GLY 4 N -0.12 5.19 3.23 9.45 0.00 -1.26 -5.18 105.19 116.50 2dip n GLY 4 Ca -0.10 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 1.00 -0.08 -0.01 1.61 0.01 -1.26 -5.17 113.70 109.80 2dip s SER 5 Ca 0.00 -0.25 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 2dip s SER 5 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dip s SER 5 CO 0.00 -0.60 0.13 -0.44 0.41 0.00 0.00 173.24 172.74 2dip s SER 6 N -2.08 0.00 0.00 2.44 0.01 -1.26 -5.17 113.70 107.64 2dip s SER 6 Ca -0.05 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2dip s SER 6 Cb -0.01 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2dip s SER 6 CO -0.04 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dip n GLY 7 N 1.78 3.54 3.69 3.44 0.00 -1.26 -5.14 105.19 111.24 2dip n GLY 7 Ca -0.21 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 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 3.39 -0.28 0.99 2.01 -1.26 -5.12 118.68 118.41 2dip s LEU 8 Ca 0.00 -0.41 -0.06 0.00 0.01 0.00 0.00 54.13 53.67 2dip s LEU 8 Cb 0.00 -2.00 0.14 0.00 0.01 0.00 0.00 46.19 44.34 2dip s LEU 8 CO 0.00 0.05 0.58 -1.83 1.01 0.00 0.00 176.35 176.17 2dip s GLU 9 N -3.21 0.52 0.34 1.70 -1.05 -1.26 -5.17 118.70 110.57 2dip s GLU 9 Ca 0.29 1.20 0.03 0.00 -0.15 0.00 0.00 54.97 56.34 2dip s GLU 9 Cb -0.09 0.60 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 2dip s GLU 9 CO 0.20 -0.36 0.14 -1.21 0.95 0.00 0.00 175.26 174.98 2dip s GLU 10 N 2.82 1.70 0.66 -4.83 0.41 -1.26 -5.14 118.70 113.06 2dip s GLU 10 Ca 0.04 -1.99 -0.17 0.00 -0.41 0.00 0.00 54.97 52.44 2dip s GLU 10 Cb -0.13 -0.33 0.00 0.00 -1.78 0.00 0.00 34.13 31.89 2dip s GLU 10 CO -0.18 -0.43 1.24 -0.59 -0.49 0.00 0.00 175.26 174.80 2dip s PHE 11 N -3.46 2.16 -0.14 1.61 -0.71 -1.26 -4.87 117.98 111.31 2dip s PHE 11 Ca 0.33 1.54 -0.29 0.00 -1.04 0.00 0.00 56.93 57.46 2dip s PHE 11 Cb 0.05 -3.55 -0.06 0.00 -1.21 0.00 0.00 43.02 38.25 2dip s PHE 11 CO 0.17 -2.60 2.11 0.15 -1.34 0.00 0.00 175.22 173.71 2dip s LYS 12 N -3.57 3.47 0.45 1.99 3.01 -1.26 -4.90 119.74 118.92 2dip s LYS 12 Ca 0.78 2.18 -0.22 0.00 -1.01 0.00 0.00 55.97 57.70 2dip s LYS 12 Cb -0.32 -4.29 -0.11 0.00 -1.01 0.00 0.00 37.83 32.09 2dip s LYS 12 CO 0.40 -1.72 0.72 -1.71 0.51 0.00 0.00 175.35 173.55 2dip n ASN 13 N 10.27 -0.12 -4.27 2.83 5.15 -1.26 -4.96 115.26 122.90 2dip n ASN 13 Ca 0.26 0.93 -0.30 0.00 -0.60 0.00 0.00 54.58 54.87 2dip n ASN 13 Cb 0.44 -1.21 0.18 0.00 -0.53 0.00 0.00 39.78 38.66 2dip n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dip s SER 14 N -0.93 2.78 -0.20 1.20 0.01 -1.26 -5.03 113.70 110.28 2dip s SER 14 Ca 0.65 0.56 -0.22 0.00 1.31 0.00 0.00 55.95 58.24 2dip s SER 14 Cb -0.56 -0.81 -0.20 0.00 0.21 0.00 0.00 66.02 64.66 2dip s SER 14 CO 0.56 -2.96 0.29 0.28 0.41 0.00 0.00 173.24 171.82 2dip h SER 15 N -1.79 0.01 -5.78 2.44 0.02 -2.04 -3.48 113.55 102.92 2dip h SER 15 Ca -0.46 -0.58 -0.39 0.00 -0.84 0.00 0.00 61.79 59.52 2dip h SER 15 Cb 1.28 -0.00 0.14 0.00 0.14 0.00 0.00 62.40 63.96 2dip h SER 15 CO 0.45 1.43 -0.69 0.29 -1.14 0.00 0.00 176.83 177.17 2dip n LYS 16 N -4.45 -7.73 -2.95 3.45 5.02 -1.26 -4.92 118.16 105.32 2dip n LYS 16 Ca -0.29 0.83 -0.44 0.00 -2.02 0.00 0.00 58.31 56.39 2dip n LYS 16 Cb 0.66 -5.86 -0.02 0.00 -0.02 0.00 0.00 35.03 29.78 2dip n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dip s LEU 17 N -7.12 5.15 -0.14 -0.35 1.43 -1.26 -4.96 118.68 111.43 2dip s LEU 17 Ca 0.49 -2.09 -0.14 0.00 -1.03 0.00 0.00 54.13 51.36 2dip s LEU 17 Cb -0.22 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 43.65 2dip s LEU 17 CO 0.72 -1.03 0.40 -0.69 0.23 0.00 0.00 176.35 175.98 2dip s VAL 18 N 2.53 0.01 -0.23 -1.59 1.01 -1.26 -5.14 120.40 115.73 2dip s VAL 18 Ca 0.32 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 2dip s VAL 18 Cb -0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 2dip s VAL 18 CO -0.09 -0.02 0.88 0.00 0.00 0.00 0.00 175.10 175.86 2dip s ALA 19 N 0.05 3.65 -0.01 5.51 0.00 -1.26 -4.99 121.76 124.71 2dip s ALA 19 Ca -0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 51.96 51.59 2dip s ALA 19 Cb -0.03 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2dip s ALA 19 CO 0.01 -0.93 1.94 0.00 0.00 0.00 0.00 175.76 176.78 2dip n ALA 20 N 6.01 1.32 -3.57 0.00 0.00 -1.26 -4.92 120.51 118.09 2dip n ALA 20 Ca 0.07 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.69 2dip n ALA 20 Cb 0.47 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.29 2dip n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dip s ALA 21 N 4.29 -2.01 -0.41 0.00 0.00 -1.26 -5.10 121.76 117.27 2dip s ALA 21 Ca 0.90 1.48 -0.36 0.00 0.00 0.00 0.00 51.96 53.98 2dip s ALA 21 Cb -0.54 -0.12 -0.16 0.00 0.00 0.00 0.00 23.12 22.31 2dip s ALA 21 CO 0.46 -0.57 1.72 0.39 0.00 0.00 0.00 175.76 177.75 2dip n GLU 22 N -0.03 0.00 -3.79 0.00 1.02 -1.26 -4.89 120.64 111.70 2dip n GLU 22 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 2dip n GLU 22 Cb 0.59 -1.23 -0.10 0.00 -0.02 0.00 0.00 31.44 30.68 2dip n GLU 22 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2dip s LYS 23 N 4.71 0.50 0.34 3.49 -2.85 -1.26 -5.17 119.74 119.49 2dip s LYS 23 Ca 0.97 0.01 0.08 0.00 -1.00 0.00 0.00 55.97 56.03 2dip s LYS 23 Cb -1.23 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 34.73 2dip s LYS 23 CO 0.55 -0.11 0.26 -1.21 0.10 0.00 0.00 175.35 174.94 2dip s GLU 24 N -0.73 2.65 -0.42 1.78 0.41 -1.26 -4.91 118.70 116.22 2dip s GLU 24 Ca -0.08 -1.35 -0.34 0.00 -0.41 0.00 0.00 54.97 52.79 2dip s GLU 24 Cb -0.04 -2.41 -0.15 0.00 -1.78 0.00 0.00 34.13 29.74 2dip s GLU 24 CO 0.02 0.10 1.72 -2.13 -0.49 0.00 0.00 175.26 174.48 2dip n ARG 25 N -1.32 0.00 0.00 1.61 0.63 -1.26 -4.68 116.66 111.63 2dip n ARG 25 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2dip n ARG 25 Cb 0.60 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.32 2dip n ARG 25 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2dip n LEU 26 N 6.07 0.93 -4.90 6.15 -0.00 -1.26 -5.10 117.00 118.89 2dip n LEU 26 Ca 0.44 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 56.16 2dip n LEU 26 Cb -0.03 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.45 2dip n LEU 26 CO 0.70 0.15 0.73 -1.81 -0.00 0.00 0.00 177.39 177.16 2dip s ASP 27 N -3.13 5.10 -0.31 1.45 1.11 -1.26 -4.95 116.67 114.67 2dip s ASP 27 Ca 0.00 0.91 -0.01 0.00 0.18 0.00 0.00 52.55 53.63 2dip s ASP 27 Cb 0.00 -1.62 0.22 0.00 1.07 0.00 0.00 42.92 42.59 2dip s ASP 27 CO 0.00 -1.52 1.98 1.17 1.18 0.00 0.00 175.17 177.98 2dip n LYS 28 N -3.05 1.79 -3.68 8.23 4.81 -1.26 -4.63 118.16 120.36 2dip n LYS 28 Ca 0.07 -1.56 -0.28 0.00 -0.87 0.00 0.00 58.31 55.68 2dip n LYS 28 Cb 0.59 -1.61 -0.10 0.00 0.02 0.00 0.00 35.03 33.93 2dip n LYS 28 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2dip n HIS 29 N 0.30 3.46 0.03 5.64 8.25 -1.26 -4.87 115.22 126.77 2dip n HIS 29 Ca 0.30 -4.25 -0.22 0.00 -0.26 0.00 0.00 57.72 53.30 2dip n HIS 29 Cb 0.61 -0.60 -0.14 0.00 1.12 0.00 0.00 29.99 30.98 2dip n HIS 29 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2dip h LEU 30 N 4.83 0.46 0.00 2.41 -0.00 -1.94 -3.33 115.31 117.74 2dip h LEU 30 Ca 0.17 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 57.17 2dip h LEU 30 Cb 0.71 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2dip h LEU 30 CO 0.77 1.61 0.00 0.61 -0.00 0.00 0.00 178.44 181.44 2dip n GLY 31 N 1.75 0.00 2.96 0.83 0.00 -1.26 -4.43 105.19 105.04 2dip n GLY 31 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 0.65 -0.61 1.01 -1.26 -5.13 121.20 115.84 2dip s ILE 32 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2dip s ILE 32 Cb 0.00 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 2dip s ILE 32 CO 0.00 0.02 1.11 -2.16 0.00 0.00 0.00 174.94 173.91 2dip s PRO 33 N 0.30 2.86 0.55 2.79 0.04 -1.26 -4.75 135.00 135.53 2dip s PRO 33 Ca -0.02 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 2dip s PRO 33 Cb -0.03 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2dip s PRO 33 CO -0.01 -1.21 1.18 0.00 0.04 0.00 0.00 177.00 177.00 2dip n ASN 35 N -1.29 0.55 0.00 0.00 5.15 0.14 -3.18 115.26 116.63 2dip n ASN 35 Ca 0.12 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 2dip n ASN 35 Cb 0.50 1.03 0.00 0.00 -0.53 0.00 0.00 39.78 40.78 2dip n ASN 35 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2dip n ASN 36 N -2.04 0.00 0.17 1.20 5.15 -1.26 -4.66 115.26 113.82 2dip n ASN 36 Ca 0.01 0.08 0.05 0.00 -0.60 0.00 0.00 54.58 54.12 2dip n ASN 36 Cb 0.46 -0.33 0.17 0.00 -0.53 0.00 0.00 39.78 39.55 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 -3.29 -3.94 -2.72 0.00 4.76 -1.19 -4.98 118.16 106.80 2dip n LYS 38 Ca 0.01 0.41 -0.43 0.00 -2.87 0.00 0.00 58.31 55.44 2dip n LYS 38 Cb 0.63 -4.18 -0.03 0.00 -1.84 0.00 0.00 35.03 29.61 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 -5.61 4.14 -0.11 1.97 0.74 -1.26 -4.71 119.66 114.81 2dip s GLN 39 Ca 0.28 1.09 -0.05 0.00 0.05 0.00 0.00 55.36 56.73 2dip s GLN 39 Cb -0.12 -3.69 0.05 0.00 1.10 0.00 0.00 33.01 30.35 2dip s GLN 39 CO 0.36 -0.72 0.25 0.12 -0.55 0.00 0.00 175.29 174.75 2dip s PHE 40 N 3.29 -0.35 0.97 1.67 5.36 -1.26 -3.13 117.98 124.53 2dip s PHE 40 Ca 0.42 0.84 -0.12 0.00 -0.96 0.00 0.00 56.93 57.10 2dip s PHE 40 Cb -0.14 0.02 0.17 0.00 -0.34 0.00 0.00 43.02 42.74 2dip s PHE 40 CO 0.10 -0.27 1.09 -1.25 -1.46 0.00 0.00 175.22 173.44 2dip s PRO 41 N 1.58 0.63 -0.51 10.12 0.04 -1.26 -4.84 135.00 140.76 2dip s PRO 41 Ca -0.06 0.60 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2dip s PRO 41 Cb -0.11 -1.75 0.10 0.00 0.04 0.00 0.00 34.50 32.78 2dip s PRO 41 CO -0.09 -2.62 0.47 0.42 0.04 0.00 0.00 177.00 175.23 2dip s ILE 42 N -2.96 5.18 0.22 0.56 1.01 -1.24 -4.93 121.20 119.05 2dip s ILE 42 Ca 0.65 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2dip s ILE 42 Cb -0.18 -4.25 0.17 0.00 0.01 0.00 0.00 42.46 38.21 2dip s ILE 42 CO 0.57 -0.74 1.80 1.05 0.00 0.00 0.00 174.94 177.62 2dip h GLU 43 N 8.85 1.19 0.00 2.79 4.11 -1.90 -3.44 114.58 126.17 2dip h GLU 43 Ca -0.29 -0.20 -0.27 0.00 0.07 0.00 0.00 59.36 58.67 2dip h GLU 43 Cb 1.10 -0.20 0.12 0.00 0.50 0.00 0.00 28.75 30.27 2dip h GLU 43 CO 0.96 0.94 0.19 0.41 0.07 0.00 0.00 179.01 181.59 2dip n GLY 44 N -0.94 -1.93 3.23 1.06 0.00 -1.26 -5.03 105.19 100.32 2dip n GLY 44 Ca 0.08 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.19 -3.07 -4.00 1.61 4.76 -1.26 -4.68 118.16 108.33 2dip n LYS 45 Ca 0.10 -0.90 -0.31 0.00 -2.87 0.00 0.00 58.31 54.34 2dip n LYS 45 Cb 0.38 -1.81 -0.15 0.00 -1.84 0.00 0.00 35.03 31.61 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 0.95 3.47 -0.09 0.00 1.51 0.95 -3.36 117.35 120.77 2dip s TYR 47 Ca 0.10 0.55 -0.09 0.00 -1.01 0.00 0.00 57.07 56.63 2dip s TYR 47 Cb -0.19 -2.02 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 2dip s TYR 47 CO -0.09 0.33 0.24 0.21 -1.11 0.00 0.00 175.55 175.13 2dip s LYS 48 N -3.10 0.30 -0.06 -0.62 2.20 -1.03 -0.71 119.74 116.73 2dip s LYS 48 Ca 0.42 0.31 -0.22 0.00 -0.36 0.00 0.00 55.97 56.12 2dip s LYS 48 Cb -0.11 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 2dip s LYS 48 CO 0.27 -0.04 0.65 0.00 -0.36 0.00 0.00 175.35 175.86 2dip n THR 50 N 3.50 0.20 -0.02 0.00 -2.24 -0.31 -3.90 114.28 111.52 2dip n THR 50 Ca -0.03 -0.38 -0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2dip n THR 50 Cb 0.51 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.45 1.89 -1.81 -0.78 1.02 -1.26 -4.98 120.64 115.17 2dip n GLU 51 Ca 0.17 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 2dip n GLU 51 Cb 0.37 -1.14 0.05 0.00 -0.02 0.00 0.00 31.44 30.69 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 -1.21 2.72 -1.80 0.00 -1.09 -1.26 -4.68 121.20 113.88 2dip s ILE 53 Ca 0.33 -0.81 -0.20 0.00 -2.23 0.00 0.00 60.65 57.74 2dip s ILE 53 Cb -0.02 -2.08 0.19 0.00 -1.58 0.00 0.00 42.46 38.97 2dip s ILE 53 CO 0.22 0.56 0.58 -1.84 -1.23 0.00 0.00 174.94 173.22 2dip n GLU 54 N 3.03 -1.33 -4.10 2.79 0.28 -1.26 -4.90 120.64 115.16 2dip n GLU 54 Ca -0.18 0.19 -0.35 0.00 -0.16 0.00 0.00 57.16 56.67 2dip n GLU 54 Cb 0.52 -4.68 -0.10 0.00 1.43 0.00 0.00 31.44 28.62 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 -3.39 3.24 -0.14 -1.84 6.14 -1.26 -4.94 117.35 115.15 2dip s TYR 55 Ca 0.71 0.08 -0.07 0.00 0.64 0.00 0.00 57.07 58.43 2dip s TYR 55 Cb -0.41 -2.01 0.06 0.00 0.42 0.00 0.00 41.96 40.01 2dip s TYR 55 CO 1.00 0.22 0.34 -1.01 0.64 0.00 0.00 175.55 176.74 2dip s HIS 56 N 0.08 -0.49 0.18 4.97 3.76 -1.26 -2.31 115.29 120.21 2dip s HIS 56 Ca 0.04 1.08 0.08 0.00 -0.15 0.00 0.00 55.06 56.12 2dip s HIS 56 Cb -0.12 0.17 -0.04 0.00 1.11 0.00 0.00 32.58 33.69 2dip s HIS 56 CO 0.01 -0.30 -0.04 -0.51 -0.85 0.00 0.00 174.74 173.04 2dip s LEU 57 N 1.43 3.16 0.04 0.89 1.43 0.11 0.27 118.68 126.02 2dip s LEU 57 Ca -0.09 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2dip s LEU 57 Cb -0.09 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2dip s LEU 57 CO -0.11 0.09 0.21 0.00 0.23 0.00 0.00 176.35 176.78 2dip n GLN 59 N 0.52 -0.05 0.50 0.00 -0.06 -1.21 0.38 117.38 117.45 2dip n GLN 59 Ca -0.07 1.12 -0.20 0.00 -2.00 0.00 0.00 57.00 55.85 2dip n GLN 59 Cb 0.52 -1.96 -0.10 0.00 -4.06 0.00 0.00 30.24 24.64 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 -1.21 -0.77 3.69 4.81 -1.93 -2.47 114.58 116.70 2dip h GLU 60 Ca 0.63 0.08 0.08 0.00 -0.13 0.00 0.00 59.36 60.02 2dip h GLU 60 Cb 1.60 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 31.19 2dip h GLU 60 CO -0.65 -0.81 0.45 0.00 -0.73 0.00 0.00 179.01 177.27 2dip h PHE 62 N 0.79 1.04 -0.49 0.00 3.57 -0.81 0.26 116.94 121.30 2dip h PHE 62 Ca 0.36 0.03 0.14 0.00 3.53 0.00 0.00 57.97 62.03 2dip h PHE 62 Cb 0.26 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 2dip h PHE 62 CO -0.06 0.27 0.46 0.22 -2.23 0.00 0.00 178.31 176.96 2dip h ASP 63 N 0.78 0.00 0.05 0.41 1.82 -0.78 0.23 116.42 118.93 2dip h ASP 63 Ca 0.56 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.18 2dip h ASP 63 Cb 0.85 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.86 2dip h ASP 63 CO -0.34 0.00 -0.06 0.77 -1.61 0.00 0.00 179.24 177.99 2dip h SER 64 N 0.00 0.02 -5.67 2.28 4.64 -0.55 -3.47 113.55 110.80 2dip h SER 64 Ca 0.24 -0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.24 2dip h SER 64 Cb 1.14 -0.01 0.16 0.00 -0.31 0.00 0.00 62.40 63.39 2dip h SER 64 CO -0.00 0.09 -0.83 -1.22 -0.87 0.00 0.00 176.83 174.00 2dip n TYR 65 N -4.45 -2.25 0.01 4.77 4.02 0.80 -4.96 117.16 115.11 2dip n TYR 65 Ca -0.03 0.85 -0.02 0.00 -0.01 0.00 0.00 57.90 58.70 2dip n TYR 65 Cb 0.15 -4.45 -0.01 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 -3.56 0.05 -0.54 0.00 -0.00 -1.26 -3.05 115.22 106.86 2dip n HIS 67 Ca -0.03 0.03 0.44 0.00 -0.00 0.00 0.00 57.72 58.16 2dip n HIS 67 Cb 0.11 -0.54 0.72 0.00 -0.00 0.00 0.00 29.99 30.28 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 0.14 -0.85 0.27 3.38 -1.95 0.12 115.31 116.41 2dip h LEU 68 Ca 0.00 0.11 0.30 0.00 0.09 0.00 0.00 57.88 58.38 2dip h LEU 68 Cb 0.04 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.74 2dip h LEU 68 CO 0.00 -0.18 0.25 -1.20 0.09 0.00 0.00 178.44 177.40 2dip n SER 69 N -4.49 0.11 -4.97 -0.43 7.64 -1.17 -4.35 113.62 105.96 2dip n SER 69 Ca 0.41 1.43 -0.22 0.00 1.01 0.00 0.00 58.87 61.51 2dip n SER 69 Cb 1.70 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 64.32 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 -5.54 2.96 -0.43 1.43 3.76 0.40 -5.04 115.29 112.83 2dip s HIS 70 Ca -0.09 0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.61 2dip s HIS 70 Cb 0.27 -2.62 0.02 0.00 1.11 0.00 0.00 32.58 31.36 2dip s HIS 70 CO 0.67 -0.72 0.94 0.99 -0.85 0.00 0.00 174.74 175.76 2dip s THR 71 N -2.70 4.50 0.37 1.30 2.01 -1.26 -4.99 115.64 114.87 2dip s THR 71 Ca 0.55 0.93 0.07 0.00 0.31 0.00 0.00 61.69 63.55 2dip s THR 71 Cb -0.10 -4.41 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 2dip s THR 71 CO 0.38 -0.73 0.38 -0.36 -0.69 0.00 0.00 174.62 173.59 2dip s PHE 72 N 3.69 2.85 -0.15 4.92 0.40 -1.26 -1.16 117.98 127.27 2dip s PHE 72 Ca 0.38 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 56.22 2dip s PHE 72 Cb -0.11 -2.02 0.04 0.00 0.51 0.00 0.00 43.02 41.45 2dip s PHE 72 CO 0.24 -0.01 0.38 0.95 0.70 0.00 0.00 175.22 177.48 2dip s THR 73 N -2.35 -0.00 0.06 0.64 -4.23 -0.86 -4.16 115.64 104.74 2dip s THR 73 Ca 0.45 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2dip s THR 73 Cb -0.06 -0.54 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 2dip s THR 73 CO 0.28 0.01 0.09 0.72 -0.54 0.00 0.00 174.62 175.18 2dip s PHE 74 N 0.35 3.24 0.53 3.99 -0.71 -1.00 -2.45 117.98 121.92 2dip s PHE 74 Ca -0.01 0.12 0.05 0.00 -1.04 0.00 0.00 56.93 56.04 2dip s PHE 74 Cb -0.03 -1.65 0.05 0.00 -1.21 0.00 0.00 43.02 40.17 2dip s PHE 74 CO -0.01 0.53 0.42 2.89 -1.34 0.00 0.00 175.22 177.71 2dip n ARG 75 N 0.57 0.71 -4.31 1.99 1.85 -1.21 -1.82 116.66 114.43 2dip n ARG 75 Ca -0.09 -3.27 -0.16 0.00 -1.00 0.00 0.00 57.85 53.33 2dip n ARG 75 Cb 0.52 0.32 -0.10 0.00 -1.05 0.00 0.00 32.46 32.14 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 -4.18 1.36 1.01 2.89 2.02 -1.26 -4.75 118.70 115.79 2dip s GLU 76 Ca 0.32 -1.72 -0.18 0.00 0.02 0.00 0.00 54.97 53.41 2dip s GLU 76 Cb -0.03 -0.30 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 2dip s GLU 76 CO 0.20 -0.25 -0.28 1.63 0.02 0.00 0.00 175.26 176.58 2dip n LYS 77 N -0.43 -0.52 -0.92 1.61 5.02 -1.26 -4.63 118.16 117.03 2dip n LYS 77 Ca -0.02 -0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 2dip n LYS 77 Cb 0.66 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2dip n LYS 77 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dip n ARG 78 N -0.20 0.00 -3.31 1.97 3.00 -1.26 -3.11 116.66 113.76 2dip n ARG 78 Ca 0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.68 2dip n ARG 78 Cb 0.60 -0.85 0.06 0.00 0.00 0.00 0.00 32.46 32.27 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 2.71 -4.68 -2.97 0.55 2.85 -1.26 -5.01 115.26 107.45 2dip n ASN 79 Ca 0.01 -0.44 -0.15 0.00 -0.11 0.00 0.00 54.58 53.89 2dip n ASN 79 Cb 0.45 -4.06 -0.04 0.00 1.24 0.00 0.00 39.78 37.37 2dip n ASN 79 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dip n GLN 80 N -3.90 0.60 -3.87 1.20 1.13 -1.18 -5.11 117.38 106.24 2dip n GLN 80 Ca -0.04 -2.81 -0.10 0.00 -1.94 0.00 0.00 57.00 52.10 2dip n GLN 80 Cb 0.57 2.59 -0.09 0.00 0.11 0.00 0.00 30.24 33.41 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 -2.90 0.60 0.98 -1.09 3.01 -1.26 -4.91 119.74 114.16 2dip s LYS 81 Ca 0.30 -0.58 -0.18 0.00 -1.01 0.00 0.00 55.97 54.50 2dip s LYS 81 Cb -0.00 0.25 0.01 0.00 -1.01 0.00 0.00 37.83 37.08 2dip s LYS 81 CO 0.22 -0.16 -0.42 0.91 0.51 0.00 0.00 175.35 176.41 2dip n TRP 82 N 0.95 -1.59 -3.64 3.18 7.02 -1.26 -4.52 117.44 117.57 2dip n TRP 82 Ca -0.20 0.34 -0.04 0.00 -1.02 0.00 0.00 57.50 56.57 2dip n TRP 82 Cb 0.58 -1.44 -0.07 0.00 -2.42 0.00 0.00 31.31 27.96 2dip n TRP 82 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2dip s ARG 83 N -2.82 0.29 0.75 -0.99 1.70 -0.76 -4.96 118.95 112.17 2dip s ARG 83 Ca 0.38 0.39 -0.15 0.00 -0.47 0.00 0.00 55.73 55.88 2dip s ARG 83 Cb -0.02 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.49 2dip s ARG 83 CO 0.50 -0.04 0.92 -1.13 -1.08 0.00 0.00 175.30 174.46 2dip n SER 84 N 2.48 0.20 -4.96 -2.89 3.41 -1.26 -2.38 113.62 108.23 2dip n SER 84 Ca -0.14 0.62 -0.20 0.00 -0.26 0.00 0.00 58.87 58.89 2dip n SER 84 Cb 0.57 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.11 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 -3.06 4.05 -0.19 1.04 1.43 -1.26 -4.81 118.68 115.88 2dip s LEU 85 Ca 0.71 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.41 2dip s LEU 85 Cb -0.33 -2.71 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 2dip s LEU 85 CO 0.52 -0.27 0.90 -1.61 0.23 0.00 0.00 176.35 176.12 2dip s GLU 86 N -4.07 4.29 1.10 1.70 2.02 -1.26 -5.03 118.70 117.45 2dip s GLU 86 Ca 0.40 1.13 -0.21 0.00 0.02 0.00 0.00 54.97 56.31 2dip s GLU 86 Cb -0.09 -3.60 0.04 0.00 0.10 0.00 0.00 34.13 30.58 2dip s GLU 86 CO 0.29 -0.42 -0.36 0.36 0.02 0.00 0.00 175.26 175.15 2dip n LYS 87 N 5.57 -1.26 -2.18 1.61 2.85 -1.26 -4.80 118.16 118.70 2dip n LYS 87 Ca 0.07 -0.35 -0.43 0.00 -1.05 0.00 0.00 58.31 56.55 2dip n LYS 87 Cb 0.48 -1.54 -0.02 0.00 -0.65 0.00 0.00 35.03 33.30 2dip n LYS 87 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2dip s ARG 88 N -3.11 3.63 -1.10 -1.58 1.70 -1.26 -4.91 118.95 112.33 2dip s ARG 88 Ca 0.51 1.36 -0.23 0.00 -0.47 0.00 0.00 55.73 56.90 2dip s ARG 88 Cb -0.06 -4.06 -0.07 0.00 -0.57 0.00 0.00 34.95 30.19 2dip s ARG 88 CO 0.66 -1.49 1.93 0.00 -1.08 0.00 0.00 175.30 175.31 2dip s ALA 89 N 5.61 1.81 -0.29 7.88 0.00 -1.26 -4.80 121.76 130.71 2dip s ALA 89 Ca 0.69 -1.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 2dip s ALA 89 Cb -0.20 -4.64 0.14 0.00 0.00 0.00 0.00 23.12 18.42 2dip s ALA 89 CO 0.31 -5.03 0.98 0.34 0.00 0.00 0.00 175.76 172.35 2dip s ASP 90 N 6.90 -0.51 -0.17 0.00 2.15 -1.26 -5.08 116.67 118.69 2dip s ASP 90 Ca 0.68 0.86 -0.15 0.00 0.43 0.00 0.00 52.55 54.37 2dip s ASP 90 Cb -0.02 1.12 -0.11 0.00 -0.30 0.00 0.00 42.92 43.61 2dip s ASP 90 CO 0.08 -0.14 0.02 -0.33 -0.17 0.00 0.00 175.17 174.64 2dip h GLU 91 N 5.63 0.00 -6.75 4.34 4.39 -2.04 -3.47 114.58 116.68 2dip h GLU 91 Ca -0.28 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.85 2dip h GLU 91 Cb 1.19 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.94 2dip h GLU 91 CO 0.17 0.48 0.60 1.55 -1.16 0.00 0.00 179.01 180.66 2dip n VAL 92 N -4.54 1.70 -3.92 3.13 3.14 -1.26 -4.98 118.33 111.61 2dip n VAL 92 Ca -0.19 -0.43 -0.30 0.00 -2.96 0.00 0.00 64.34 60.46 2dip n VAL 92 Cb 0.46 -1.65 -0.15 0.00 -1.06 0.00 0.00 33.84 31.44 2dip n VAL 92 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2dip s SER 93 N -0.09 4.44 0.00 6.55 0.01 -1.26 -4.90 113.70 118.46 2dip s SER 93 Ca 0.58 -2.25 0.00 0.00 1.31 0.00 0.00 55.95 55.60 2dip s SER 93 Cb -0.56 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2dip s SER 93 CO 0.59 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2dip n GLY 94 N 4.11 -0.90 3.58 3.44 0.00 -1.26 -5.09 105.19 109.07 2dip n GLY 94 Ca 0.03 0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 2dip n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dip s PRO 95 N 0.00 3.12 -0.17 1.61 0.04 -1.26 -4.95 135.00 133.38 2dip s PRO 95 Ca 0.00 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 2dip s PRO 95 Cb 0.00 -4.24 0.07 0.00 0.04 0.00 0.00 34.50 30.37 2dip s PRO 95 CO 0.00 -2.13 0.12 -1.54 0.04 0.00 0.00 177.00 173.49 2dip s SER 96 N 6.47 2.10 -0.25 6.66 1.04 -1.26 -5.06 113.70 123.39 2dip s SER 96 Ca 0.72 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 2dip s SER 96 Cb -0.18 -0.10 0.15 0.00 0.10 0.00 0.00 66.02 65.99 2dip s SER 96 CO 0.29 -0.34 1.16 -0.94 0.98 0.00 0.00 173.24 174.38 2dip s SER 97 N 2.18 -0.29 0.00 7.02 1.04 -1.26 -5.28 113.70 117.12 2dip s SER 97 Ca 0.03 0.47 0.09 0.00 0.48 0.00 0.00 55.95 57.02 2dip s SER 97 Cb -0.16 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.48 2dip s SER 97 CO -0.10 -0.16 0.78 0.61 0.98 0.00 0.00 173.24 175.36