#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 -0.05 0.32 1.61 1.04 -1.26 -5.19 113.70 110.17 2dip s SER 2 Ca 0.00 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2dip s SER 2 Cb 0.00 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.55 2dip s SER 2 CO 0.00 -0.73 0.79 -0.55 0.98 0.00 0.00 173.24 173.73 2dip s SER 3 N -3.25 -0.09 0.00 7.02 0.15 -1.26 -5.19 113.70 111.07 2dip s SER 3 Ca 0.19 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2dip s SER 3 Cb -0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 2dip s SER 3 CO 0.02 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.58 2dip n GLY 4 N -0.52 4.38 3.89 9.45 0.00 -1.26 -5.19 105.19 115.94 2dip n GLY 4 Ca -0.06 -1.32 -0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.67 -0.01 0.10 1.61 0.15 -1.26 -5.19 113.70 109.76 2dip s SER 5 Ca 0.00 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 55.99 2dip s SER 5 Cb 0.00 0.32 0.09 0.00 -1.71 0.00 0.00 66.02 64.71 2dip s SER 5 CO 0.00 -0.62 1.11 -0.94 1.20 0.00 0.00 173.24 173.99 2dip s SER 6 N -3.49 -0.07 0.31 5.45 1.04 -1.26 -5.19 113.70 110.48 2dip s SER 6 Ca 0.23 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 2dip s SER 6 Cb -0.01 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.51 2dip s SER 6 CO 0.02 -0.70 0.73 -0.83 0.98 0.00 0.00 173.24 173.43 2dip s GLY 7 N -3.17 0.09 0.35 7.32 0.00 -1.26 -5.19 107.32 105.47 2dip s GLY 7 Ca 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 2dip s GLY 7 CO 0.01 -0.19 0.65 1.08 0.00 0.00 0.00 173.10 174.65 2dip s LEU 8 N -2.97 0.36 0.31 0.66 1.43 -1.26 -5.19 118.68 112.02 2dip s LEU 8 Ca 0.13 -1.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.04 2dip s LEU 8 Cb -0.05 2.28 -0.02 0.00 0.03 0.00 0.00 46.19 48.43 2dip s LEU 8 CO 0.09 -1.49 0.33 -1.83 0.23 0.00 0.00 176.35 173.68 2dip s GLU 9 N -2.82 1.71 0.00 1.70 -1.05 -1.26 -5.18 118.70 111.81 2dip s GLU 9 Ca 0.21 -1.84 -0.29 0.00 -0.15 0.00 0.00 54.97 52.89 2dip s GLU 9 Cb -0.03 0.36 0.11 0.00 -0.44 0.00 0.00 34.13 34.13 2dip s GLU 9 CO 0.14 -0.66 1.14 -1.83 0.95 0.00 0.00 175.26 175.00 2dip s GLU 10 N -3.45 0.65 0.31 -4.83 4.04 -1.26 -5.19 118.70 108.98 2dip s GLU 10 Ca 0.36 -0.34 -0.08 0.00 0.04 0.00 0.00 54.97 54.95 2dip s GLU 10 Cb 0.02 0.24 0.01 0.00 0.02 0.00 0.00 34.13 34.42 2dip s GLU 10 CO 0.22 -0.30 0.52 0.12 -1.84 0.00 0.00 175.26 173.99 2dip s PHE 11 N -2.74 0.66 0.23 4.83 5.36 -1.26 -5.19 117.98 119.87 2dip s PHE 11 Ca 0.12 -1.01 -0.22 0.00 -0.96 0.00 0.00 56.93 54.86 2dip s PHE 11 Cb 0.02 0.16 0.04 0.00 -0.34 0.00 0.00 43.02 42.89 2dip s PHE 11 CO -0.03 -1.15 0.72 0.21 -1.46 0.00 0.00 175.22 173.52 2dip s LYS 12 N -3.30 1.59 0.07 10.12 2.20 -1.26 -5.19 119.74 123.97 2dip s LYS 12 Ca 0.25 -0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 54.78 2dip s LYS 12 Cb -0.01 0.58 0.08 0.00 -1.51 0.00 0.00 37.83 36.97 2dip s LYS 12 CO 0.15 -0.72 0.83 0.54 -0.36 0.00 0.00 175.35 175.79 2dip s ASN 13 N -2.87 -0.37 0.00 1.43 2.20 -1.26 -5.06 114.94 109.01 2dip s ASN 13 Ca 0.09 -0.11 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 2dip s ASN 13 Cb -0.04 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.67 2dip s ASN 13 CO 0.02 -0.78 0.00 -1.54 -2.94 0.00 0.00 177.10 171.85 2dip n SER 14 N -0.33 4.24 -3.90 3.54 3.41 -1.26 -5.03 113.62 114.29 2dip n SER 14 Ca -0.10 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 2dip n SER 14 Cb 0.62 0.84 -0.06 0.00 -0.26 0.00 0.00 64.21 65.34 2dip n SER 14 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dip n SER 15 N -1.28 0.25 -4.51 4.04 7.64 -1.26 -4.72 113.62 113.78 2dip n SER 15 Ca 0.00 -0.98 -0.47 0.00 1.01 0.00 0.00 58.87 58.43 2dip n SER 15 Cb 0.01 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 2dip n SER 15 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dip n LYS 16 N -3.79 0.71 -0.46 1.43 4.76 -1.26 -4.91 118.16 114.65 2dip n LYS 16 Ca -0.23 0.25 -0.24 0.00 -2.87 0.00 0.00 58.31 55.22 2dip n LYS 16 Cb 0.52 -1.50 0.20 0.00 -1.84 0.00 0.00 35.03 32.41 2dip n LYS 16 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dip n LEU 17 N 1.67 -1.24 -4.89 -0.35 4.77 -1.26 -4.98 117.00 110.71 2dip n LEU 17 Ca 0.14 -0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 55.36 2dip n LEU 17 Cb 0.27 -0.90 0.02 0.00 -2.33 0.00 0.00 43.42 40.48 2dip n LEU 17 CO 0.59 -3.63 0.60 0.54 -1.33 0.00 0.00 177.39 174.16 2dip s VAL 18 N -2.13 4.42 0.61 4.08 0.11 -1.26 -5.10 120.40 121.13 2dip s VAL 18 Ca 0.50 0.44 0.09 0.00 -2.93 0.00 0.00 61.98 60.08 2dip s VAL 18 Cb -0.10 -3.74 0.10 0.00 -1.53 0.00 0.00 36.38 31.11 2dip s VAL 18 CO 0.47 -0.86 0.84 0.00 -3.33 0.00 0.00 175.10 172.22 2dip s ALA 19 N -3.03 4.60 1.08 1.54 0.00 -1.26 -5.09 121.76 119.61 2dip s ALA 19 Ca 0.53 -2.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.17 2dip s ALA 19 Cb -0.11 -1.51 0.10 0.00 0.00 0.00 0.00 23.12 21.60 2dip s ALA 19 CO 0.49 -0.99 -0.05 0.00 0.00 0.00 0.00 175.76 175.22 2dip n ALA 20 N -2.35 -3.31 -3.04 0.00 0.00 -1.26 -5.04 120.51 105.51 2dip n ALA 20 Ca 0.16 -1.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.24 2dip n ALA 20 Cb 0.62 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.16 -0.41 1.16 0.00 0.00 -1.26 -5.17 121.76 113.92 2dip s ALA 21 Ca 0.48 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 2dip s ALA 21 Cb -0.08 0.16 0.28 0.00 0.00 0.00 0.00 23.12 23.48 2dip s ALA 21 CO 0.56 -0.27 1.18 -1.21 0.00 0.00 0.00 175.76 176.02 2dip s GLU 22 N -1.79 -0.90 0.61 0.00 0.41 -1.26 -4.97 118.70 110.81 2dip s GLU 22 Ca -0.11 -0.25 -0.18 0.00 -0.41 0.00 0.00 54.97 54.02 2dip s GLU 22 Cb -0.05 -1.65 -0.06 0.00 -1.78 0.00 0.00 34.13 30.59 2dip s GLU 22 CO 0.00 -3.46 0.75 1.17 -0.49 0.00 0.00 175.26 173.23 2dip n LYS 23 N -4.55 0.65 -3.82 1.61 4.81 -1.26 -5.01 118.16 110.60 2dip n LYS 23 Ca 0.15 0.26 -0.10 0.00 -0.87 0.00 0.00 58.31 57.75 2dip n LYS 23 Cb 0.60 -1.96 0.02 0.00 0.02 0.00 0.00 35.03 33.71 2dip n LYS 23 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2dip n GLU 24 N -0.70 1.11 -1.12 1.64 0.28 -1.26 -5.11 120.64 115.48 2dip n GLU 24 Ca 0.13 -2.31 -0.35 0.00 -0.16 0.00 0.00 57.16 54.47 2dip n GLU 24 Cb 0.48 2.80 0.01 0.00 1.43 0.00 0.00 31.44 36.16 2dip n GLU 24 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2dip n ARG 25 N -0.54 0.00 0.00 3.44 0.63 -1.26 -4.93 116.66 113.99 2dip n ARG 25 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 2dip n ARG 25 Cb 0.60 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.59 2dip n ARG 25 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2dip n LEU 26 N 2.39 0.00 -3.60 6.15 7.99 -1.26 -4.98 117.00 123.69 2dip n LEU 26 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 56.01 55.79 2dip n LEU 26 Cb 0.44 -0.15 -0.11 0.00 -0.11 0.00 0.00 43.42 43.49 2dip n LEU 26 CO 0.49 -0.35 -0.22 -0.62 -1.51 0.00 0.00 177.39 175.18 2dip s ASP 27 N -3.20 2.89 -0.43 -1.43 2.15 -1.26 -4.93 116.67 110.47 2dip s ASP 27 Ca 0.00 -3.22 -0.01 0.00 0.43 0.00 0.00 52.55 49.75 2dip s ASP 27 Cb 0.00 -0.90 0.01 0.00 -0.30 0.00 0.00 42.92 41.73 2dip s ASP 27 CO 0.00 -0.16 0.03 2.29 -0.17 0.00 0.00 175.17 177.16 2dip n LYS 28 N 2.71 -0.97 -2.84 4.34 -0.00 -1.26 -4.75 118.16 115.39 2dip n LYS 28 Ca 0.23 0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 58.30 2dip n LYS 28 Cb 0.41 -1.00 -0.03 0.00 -0.00 0.00 0.00 35.03 34.41 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 -1.86 3.67 0.06 5.58 -0.00 -1.26 -4.83 115.22 116.59 2dip n HIS 29 Ca -0.07 -3.76 -0.21 0.00 0.46 0.00 0.00 57.72 54.15 2dip n HIS 29 Cb 0.17 -0.39 -0.13 0.00 -0.12 0.00 0.00 29.99 29.53 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 2.89 0.71 0.00 0.27 -0.00 -1.97 -3.41 115.31 113.80 2dip h LEU 30 Ca 0.17 -0.84 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 2dip h LEU 30 Cb 0.63 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2dip h LEU 30 CO 0.81 1.48 0.00 0.61 -0.00 0.00 0.00 178.44 181.33 2dip n GLY 31 N 1.37 1.03 2.98 0.83 0.00 -1.26 -4.39 105.19 105.76 2dip n GLY 31 Ca -0.13 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.90 -0.61 1.01 -1.26 -5.16 121.20 116.08 2dip s ILE 32 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 2dip s ILE 32 Cb 0.00 -0.18 0.13 0.00 0.01 0.00 0.00 42.46 42.42 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 0.23 1.22 0.52 2.79 0.04 -1.26 -4.80 135.00 133.75 2dip s PRO 33 Ca -0.01 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 2dip s PRO 33 Cb -0.02 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 2dip s PRO 33 CO -0.01 -2.26 1.07 0.00 0.04 0.00 0.00 177.00 175.84 2dip n ASN 35 N -1.28 0.65 0.00 0.00 4.13 0.30 -3.18 115.26 115.87 2dip n ASN 35 Ca 0.10 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.95 2dip n ASN 35 Cb 0.52 0.89 0.00 0.00 -1.54 0.00 0.00 39.78 39.65 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 -1.81 0.00 0.20 6.41 5.15 -1.26 -4.67 115.26 119.28 2dip n ASN 36 Ca 0.02 0.03 0.13 0.00 -0.60 0.00 0.00 54.58 54.16 2dip n ASN 36 Cb 0.41 -0.32 0.31 0.00 -0.53 0.00 0.00 39.78 39.64 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 -2.86 -6.91 -2.60 0.00 4.01 -1.19 -4.94 118.16 103.66 2dip n LYS 38 Ca 0.04 0.72 -0.43 0.00 -0.51 0.00 0.00 58.31 58.13 2dip n LYS 38 Cb 0.46 -5.45 -0.02 0.00 -0.51 0.00 0.00 35.03 29.52 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 -6.10 4.25 -0.11 1.97 0.74 -1.26 -4.70 119.66 114.44 2dip s GLN 39 Ca 0.49 1.43 -0.05 0.00 0.05 0.00 0.00 55.36 57.28 2dip s GLN 39 Cb -0.22 -3.67 0.05 0.00 1.10 0.00 0.00 33.01 30.27 2dip s GLN 39 CO 0.63 -0.66 0.24 0.12 -0.55 0.00 0.00 175.29 175.08 2dip s PHE 40 N 3.29 -0.34 0.89 1.67 5.36 -1.26 -3.25 117.98 124.34 2dip s PHE 40 Ca 0.47 0.82 -0.11 0.00 -0.96 0.00 0.00 56.93 57.14 2dip s PHE 40 Cb -0.17 -0.01 0.12 0.00 -0.34 0.00 0.00 43.02 42.63 2dip s PHE 40 CO 0.08 -0.27 1.09 -1.25 -1.46 0.00 0.00 175.22 173.41 2dip s PRO 41 N 1.69 1.34 -0.84 10.12 0.04 -1.26 -5.06 135.00 141.03 2dip s PRO 41 Ca -0.05 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2dip s PRO 41 Cb -0.11 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.73 2dip s PRO 41 CO -0.08 -2.19 1.05 0.42 0.04 0.00 0.00 177.00 176.24 2dip s ILE 42 N -2.93 4.65 0.17 0.56 1.01 -1.23 -4.91 121.20 118.51 2dip s ILE 42 Ca 0.63 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 2dip s ILE 42 Cb -0.18 -4.73 0.03 0.00 0.01 0.00 0.00 42.46 37.59 2dip s ILE 42 CO 0.57 -1.46 1.56 -0.33 0.00 0.00 0.00 174.94 175.27 2dip h GLU 43 N 9.02 -0.17 0.00 2.79 4.39 -1.93 -3.41 114.58 125.27 2dip h GLU 43 Ca 0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2dip h GLU 43 Cb 1.04 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2dip h GLU 43 CO 1.12 -0.11 0.00 0.41 -1.16 0.00 0.00 179.01 179.27 2dip n GLY 44 N -1.38 -2.55 3.37 -3.84 0.00 -1.26 -5.02 105.19 94.50 2dip n GLY 44 Ca 0.02 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.65 -2.64 -0.29 1.61 -0.14 -1.26 -4.76 119.74 109.60 2dip s LYS 45 Ca 0.00 0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.66 2dip s LYS 45 Cb 0.00 -1.42 0.07 0.00 -1.68 0.00 0.00 37.83 34.80 2dip s LYS 45 CO 0.00 -4.67 -0.04 0.00 -0.76 0.00 0.00 175.35 169.88 2dip s TYR 47 N 1.09 3.48 -0.23 0.00 1.51 0.16 -3.22 117.35 120.16 2dip s TYR 47 Ca -0.04 0.30 -0.18 0.00 -1.01 0.00 0.00 57.07 56.15 2dip s TYR 47 Cb -0.20 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.89 2dip s TYR 47 CO -0.05 0.39 0.59 -1.59 -1.11 0.00 0.00 175.55 173.77 2dip s LYS 48 N -3.38 0.66 -0.05 -0.62 -2.85 -1.12 -0.41 119.74 111.97 2dip s LYS 48 Ca 0.38 0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 55.95 2dip s LYS 48 Cb -0.11 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.89 2dip s LYS 48 CO 0.29 -0.10 0.95 0.00 0.10 0.00 0.00 175.35 176.59 2dip n THR 50 N 4.16 0.29 -0.01 0.00 -2.24 -0.34 -3.82 114.28 112.31 2dip n THR 50 Ca 0.06 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2dip n THR 50 Cb 0.50 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.41 2.07 -1.87 -0.78 1.02 -1.26 -5.01 120.64 115.22 2dip n GLU 51 Ca 0.15 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 2dip n GLU 51 Cb 0.33 -1.10 0.06 0.00 -0.02 0.00 0.00 31.44 30.71 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 -1.53 2.10 -1.42 0.00 -1.09 -1.26 -4.73 121.20 113.26 2dip s ILE 53 Ca 0.38 -1.03 -0.02 0.00 -2.23 0.00 0.00 60.65 57.76 2dip s ILE 53 Cb -0.02 -1.78 0.01 0.00 -1.58 0.00 0.00 42.46 39.09 2dip s ILE 53 CO 0.25 0.56 0.47 -0.62 -1.23 0.00 0.00 174.94 174.37 2dip n GLU 54 N 3.28 -3.43 -4.96 2.79 1.02 -1.26 -4.96 120.64 113.12 2dip n GLU 54 Ca -0.18 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.05 2dip n GLU 54 Cb 0.53 -4.63 -0.17 0.00 -0.02 0.00 0.00 31.44 27.15 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 -3.89 2.62 -0.10 -0.32 5.04 -1.26 -5.00 117.35 114.45 2dip s TYR 55 Ca 0.07 -1.14 -0.06 0.00 -2.44 0.00 0.00 57.07 53.50 2dip s TYR 55 Cb -0.04 -1.76 0.04 0.00 0.35 0.00 0.00 41.96 40.55 2dip s TYR 55 CO 0.89 -0.49 0.24 -1.01 -1.34 0.00 0.00 175.55 173.84 2dip s HIS 56 N 0.54 -0.30 0.39 4.97 3.76 -1.26 -2.59 115.29 120.80 2dip s HIS 56 Ca -0.13 0.73 0.08 0.00 -0.15 0.00 0.00 55.06 55.59 2dip s HIS 56 Cb -0.17 0.05 -0.07 0.00 1.11 0.00 0.00 32.58 33.50 2dip s HIS 56 CO 0.04 -0.21 -0.00 -0.51 -0.85 0.00 0.00 174.74 173.21 2dip s LEU 57 N 1.02 2.87 0.02 0.89 1.43 0.45 0.11 118.68 125.47 2dip s LEU 57 Ca -0.07 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 51.78 2dip s LEU 57 Cb -0.09 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 2dip s LEU 57 CO -0.07 -0.39 -0.12 0.00 0.23 0.00 0.00 176.35 176.01 2dip n GLN 59 N 1.54 -0.02 0.06 0.00 -0.06 -1.21 -0.16 117.38 117.54 2dip n GLN 59 Ca -0.16 0.82 -0.02 0.00 -2.00 0.00 0.00 57.00 55.64 2dip n GLN 59 Cb 0.52 -1.67 -0.01 0.00 -4.06 0.00 0.00 30.24 25.02 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 -0.15 -0.79 3.69 4.81 -1.93 -2.92 114.58 117.28 2dip h GLU 60 Ca 0.60 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 60.07 2dip h GLU 60 Cb 2.04 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.42 2dip h GLU 60 CO -0.25 -0.10 0.64 0.00 -0.73 0.00 0.00 179.01 178.56 2dip h PHE 62 N 0.00 1.19 0.00 0.00 3.57 -1.04 -1.54 116.94 119.12 2dip h PHE 62 Ca 0.37 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2dip h PHE 62 Cb 1.65 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2dip h PHE 62 CO 0.00 0.87 0.07 0.22 -2.23 0.00 0.00 178.31 177.24 2dip h ASP 63 N 1.17 0.00 0.34 0.41 3.58 -0.32 -0.40 116.42 121.20 2dip h ASP 63 Ca 0.28 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 2dip h ASP 63 Cb 0.14 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2dip h ASP 63 CO -0.03 0.00 -0.22 0.77 -2.88 0.00 0.00 179.24 176.88 2dip h SER 64 N 0.00 0.00 -5.65 2.28 4.64 -1.35 -3.47 113.55 110.01 2dip h SER 64 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 2dip h SER 64 Cb 0.13 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.39 2dip h SER 64 CO 0.00 0.22 -0.81 -1.22 -0.87 0.00 0.00 176.83 174.14 2dip n TYR 65 N -3.95 -2.25 -0.03 4.77 4.02 -0.16 -4.94 117.16 114.62 2dip n TYR 65 Ca -0.02 0.88 -0.05 0.00 -0.01 0.00 0.00 57.90 58.70 2dip n TYR 65 Cb 0.30 -4.61 -0.02 0.00 -0.02 0.00 0.00 39.34 34.98 2dip n TYR 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dip n HIS 67 N -2.98 0.17 -0.53 0.00 -0.00 -1.26 -4.28 115.22 106.33 2dip n HIS 67 Ca -0.11 0.05 0.45 0.00 -0.00 0.00 0.00 57.72 58.11 2dip n HIS 67 Cb 0.60 -0.34 0.78 0.00 -0.00 0.00 0.00 29.99 31.03 2dip n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2dip h LEU 68 N 0.00 0.00 -0.95 0.27 4.07 -1.90 0.36 115.31 117.16 2dip h LEU 68 Ca 0.00 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.23 2dip h LEU 68 Cb 0.68 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.25 2dip h LEU 68 CO 0.00 0.00 0.08 0.28 -1.08 0.00 0.00 178.44 177.72 2dip h SER 69 N 0.00 -0.36 -4.36 -0.43 0.02 -1.92 -3.40 113.55 103.10 2dip h SER 69 Ca 0.77 0.26 -0.47 0.00 -0.84 0.00 0.00 61.79 61.51 2dip h SER 69 Cb 3.15 0.43 0.09 0.00 0.14 0.00 0.00 62.40 66.21 2dip h SER 69 CO -0.01 -0.32 0.36 -1.00 -1.14 0.00 0.00 176.83 174.73 2dip s HIS 70 N -5.98 3.07 -0.46 3.45 3.76 0.11 -5.00 115.29 114.24 2dip s HIS 70 Ca -0.13 0.77 -0.29 0.00 -0.15 0.00 0.00 55.06 55.26 2dip s HIS 70 Cb 0.28 -3.27 0.03 0.00 1.11 0.00 0.00 32.58 30.73 2dip s HIS 70 CO 0.78 -1.48 1.15 0.99 -0.85 0.00 0.00 174.74 175.32 2dip s THR 71 N -3.42 4.21 0.32 1.30 2.01 -1.26 -4.99 115.64 113.81 2dip s THR 71 Ca 0.60 1.25 0.08 0.00 0.31 0.00 0.00 61.69 63.93 2dip s THR 71 Cb -0.11 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 2dip s THR 71 CO 0.49 -0.96 0.17 -0.36 -0.69 0.00 0.00 174.62 173.27 2dip s PHE 72 N 4.45 2.78 -0.19 4.92 0.40 -1.26 -1.20 117.98 127.87 2dip s PHE 72 Ca 0.48 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 2dip s PHE 72 Cb -0.08 -1.61 0.05 0.00 0.51 0.00 0.00 43.02 41.89 2dip s PHE 72 CO 0.31 0.35 0.50 0.95 0.70 0.00 0.00 175.22 178.02 2dip s THR 73 N -2.36 -0.00 0.26 0.64 -4.23 -1.02 -3.14 115.64 105.78 2dip s THR 73 Ca 0.37 0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2dip s THR 73 Cb -0.04 -0.71 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 2dip s THR 73 CO 0.23 0.01 0.20 0.72 -0.54 0.00 0.00 174.62 175.24 2dip s PHE 74 N 0.50 3.07 0.42 3.99 -0.12 -1.12 -2.78 117.98 121.93 2dip s PHE 74 Ca -0.02 -0.14 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 2dip s PHE 74 Cb -0.04 -1.44 -0.02 0.00 -0.63 0.00 0.00 43.02 40.88 2dip s PHE 74 CO -0.02 0.48 0.36 1.03 -0.05 0.00 0.00 175.22 177.02 2dip s ARG 75 N -3.86 2.51 0.22 1.99 1.81 -1.20 -1.09 118.95 119.34 2dip s ARG 75 Ca 0.34 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 52.80 2dip s ARG 75 Cb -0.08 -2.34 -0.05 0.00 -0.45 0.00 0.00 34.95 32.03 2dip s ARG 75 CO 0.25 -0.19 0.06 -1.21 -0.68 0.00 0.00 175.30 173.53 2dip s GLU 76 N -4.12 1.29 1.01 3.54 8.01 -1.26 -4.69 118.70 122.49 2dip s GLU 76 Ca 0.48 -1.67 -0.17 0.00 0.01 0.00 0.00 54.97 53.61 2dip s GLU 76 Cb -0.03 -0.26 -0.01 0.00 -4.31 0.00 0.00 34.13 29.52 2dip s GLU 76 CO 0.27 -0.23 -0.21 0.36 0.01 0.00 0.00 175.26 175.46 2dip n LYS 77 N -0.38 -0.55 -0.99 1.61 2.85 -1.26 -4.65 118.16 114.80 2dip n LYS 77 Ca -0.02 -0.14 -0.34 0.00 -1.05 0.00 0.00 58.31 56.76 2dip n LYS 77 Cb 0.65 -1.52 0.03 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 -0.37 0.00 -3.25 -1.58 3.00 -1.26 -3.13 116.66 110.06 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 -0.90 0.06 0.00 0.00 0.00 0.00 32.46 32.21 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 2.80 -4.32 -3.46 6.15 2.85 -1.26 -5.01 115.26 113.01 2dip n ASN 79 Ca 0.02 -0.43 -0.14 0.00 -0.11 0.00 0.00 54.58 53.93 2dip n ASN 79 Cb 0.47 -3.95 -0.05 0.00 1.24 0.00 0.00 39.78 37.50 2dip n ASN 79 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2dip s GLN 80 N -5.70 1.78 -0.02 1.20 -1.52 -1.18 -5.12 119.66 109.10 2dip s GLN 80 Ca 0.31 -1.67 -0.11 0.00 -1.95 0.00 0.00 55.36 51.95 2dip s GLN 80 Cb -0.14 0.43 0.01 0.00 -0.22 0.00 0.00 33.01 33.10 2dip s GLN 80 CO 0.55 -0.73 0.23 0.15 -0.25 0.00 0.00 175.29 175.24 2dip s LYS 81 N -3.32 0.52 0.40 2.91 3.01 -1.26 -4.91 119.74 117.09 2dip s LYS 81 Ca 0.30 -0.17 -0.13 0.00 -1.01 0.00 0.00 55.97 54.96 2dip s LYS 81 Cb 0.00 0.23 -0.11 0.00 -1.01 0.00 0.00 37.83 36.94 2dip s LYS 81 CO 0.18 -0.13 -0.14 0.91 0.51 0.00 0.00 175.35 176.68 2dip n TRP 82 N 1.67 -2.25 -4.43 3.18 7.02 -1.26 -4.71 117.44 116.66 2dip n TRP 82 Ca -0.20 0.29 -0.22 0.00 -1.02 0.00 0.00 57.50 56.35 2dip n TRP 82 Cb 0.56 -1.20 -0.16 0.00 -2.42 0.00 0.00 31.31 28.10 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 -0.79 1.23 -0.14 -0.99 0.52 -0.25 -4.96 118.95 113.57 2dip s ARG 83 Ca 0.40 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 55.00 2dip s ARG 83 Cb -0.34 -1.09 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 2dip s ARG 83 CO 0.49 0.05 1.61 -1.54 0.02 0.00 0.00 175.30 175.93 2dip s SER 84 N 0.51 6.53 0.65 0.23 1.04 -1.26 -2.79 113.70 118.61 2dip s SER 84 Ca -0.09 1.90 -0.14 0.00 0.48 0.00 0.00 55.95 58.10 2dip s SER 84 Cb -0.13 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.45 2dip s SER 84 CO 0.02 -1.08 1.07 -0.76 0.98 0.00 0.00 173.24 173.46 2dip s LEU 85 N 4.61 3.33 0.03 2.42 1.43 -1.19 -5.01 118.68 124.30 2dip s LEU 85 Ca 0.71 1.77 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 2dip s LEU 85 Cb -0.28 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.36 2dip s LEU 85 CO 0.28 -1.37 0.80 -1.83 0.23 0.00 0.00 176.35 174.46 2dip s GLU 86 N -4.47 4.52 0.51 1.70 -1.05 -1.26 -4.92 118.70 113.72 2dip s GLU 86 Ca 0.62 1.12 -0.18 0.00 -0.15 0.00 0.00 54.97 56.38 2dip s GLU 86 Cb -0.16 -3.39 -0.08 0.00 -0.44 0.00 0.00 34.13 30.07 2dip s GLU 86 CO 0.45 0.21 0.99 0.21 0.95 0.00 0.00 175.26 178.07 2dip s LYS 87 N 0.18 3.89 0.06 -4.83 2.20 -1.26 -4.93 119.74 115.05 2dip s LYS 87 Ca 0.41 1.06 -0.23 0.00 -0.36 0.00 0.00 55.97 56.84 2dip s LYS 87 Cb -0.20 -2.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.87 2dip s LYS 87 CO 0.24 -0.33 0.56 -2.13 -0.36 0.00 0.00 175.35 173.33 2dip n ARG 88 N -1.42 0.00 -0.79 4.03 0.63 -1.26 -4.67 116.66 113.18 2dip n ARG 88 Ca 0.07 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.91 2dip n ARG 88 Cb 0.54 -0.86 -0.13 0.00 0.45 0.00 0.00 32.46 32.45 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 0.57 5.23 -3.16 5.13 0.00 -1.26 -4.80 120.51 122.22 2dip n ALA 89 Ca 0.13 -1.42 -0.30 0.00 0.00 0.00 0.00 53.44 51.85 2dip n ALA 89 Cb 0.10 -2.27 -0.17 0.00 0.00 0.00 0.00 19.45 17.11 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 2.20 2.73 -0.23 0.00 2.15 -1.26 -5.11 116.67 117.15 2dip s ASP 90 Ca 0.52 -0.48 0.01 0.00 0.43 0.00 0.00 52.55 53.03 2dip s ASP 90 Cb 0.25 -1.12 0.06 0.00 -0.30 0.00 0.00 42.92 41.80 2dip s ASP 90 CO 0.00 0.15 -0.06 -1.61 -0.17 0.00 0.00 175.17 173.48 2dip s GLU 91 N 0.29 1.69 -0.08 4.34 2.02 -1.26 -5.10 118.70 120.61 2dip s GLU 91 Ca -0.14 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 53.84 2dip s GLU 91 Cb -0.16 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.52 2dip s GLU 91 CO 0.06 -0.58 0.02 0.14 0.02 0.00 0.00 175.26 174.93 2dip s VAL 92 N 1.38 0.24 -0.54 2.63 -7.23 -1.26 -5.03 120.40 110.60 2dip s VAL 92 Ca -0.06 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2dip s VAL 92 Cb -0.19 -0.48 0.44 0.00 0.56 0.00 0.00 36.38 36.72 2dip s VAL 92 CO -0.06 0.18 1.68 -0.24 -0.31 0.00 0.00 175.10 176.35 2dip n SER 93 N 5.19 6.53 -0.14 4.85 2.88 -1.26 -4.99 113.62 126.68 2dip n SER 93 Ca -0.06 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.70 2dip n SER 93 Cb 0.50 -0.73 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2dip n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dip n GLY 94 N -0.78 -0.77 0.25 0.46 0.00 -1.26 -4.88 105.19 98.21 2dip n GLY 94 Ca 0.54 -1.08 0.14 0.00 0.00 0.00 0.00 46.02 45.61 2dip n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dip h PRO 95 N 0.00 0.00 -6.05 1.61 0.13 -2.03 -3.46 132.00 122.20 2dip h PRO 95 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.70 2dip h PRO 95 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2dip h PRO 95 CO 0.00 0.11 -0.73 0.43 -0.23 0.00 0.00 178.00 177.58 2dip n SER 96 N -3.29 -5.20 -4.67 1.44 7.64 -1.26 -4.99 113.62 103.29 2dip n SER 96 Ca -0.00 -0.66 -0.29 0.00 1.01 0.00 0.00 58.87 58.93 2dip n SER 96 Cb 0.34 -4.49 -0.08 0.00 -1.01 0.00 0.00 64.21 58.97 2dip n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dip s SER 97 N -3.43 4.91 0.00 6.43 0.15 -1.26 -5.32 113.70 115.18 2dip s SER 97 Ca 0.56 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2dip s SER 97 Cb -0.26 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2dip s SER 97 CO 0.78 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.98