#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2arv s LEU 2 N 0.00 3.83 -0.16 0.99 2.01 -1.26 -5.01 118.68 119.08 2arv s LEU 2 Ca 0.00 -0.24 -0.03 0.00 0.01 0.00 0.00 54.13 53.87 2arv s LEU 2 Cb 0.00 -2.36 -0.02 0.00 0.01 0.00 0.00 46.19 43.81 2arv s LEU 2 CO 0.00 -0.03 -0.04 -1.61 1.01 0.00 0.00 176.35 175.67 2arv s GLU 3 N -3.80 3.61 0.16 1.70 2.02 -1.26 -1.29 118.70 119.85 2arv s GLU 3 Ca 0.33 -0.55 -0.34 0.00 0.02 0.00 0.00 54.97 54.43 2arv s GLU 3 Cb -0.08 -2.91 -0.14 0.00 0.10 0.00 0.00 34.13 31.10 2arv s GLU 3 CO 0.25 0.18 1.59 0.00 0.02 0.00 0.00 175.26 177.30 2arv n ASP 5 N 3.44 1.31 -1.38 0.00 5.68 -1.26 -4.92 116.55 119.43 2arv n ASP 5 Ca 0.17 -1.20 0.04 0.00 -0.50 0.00 0.00 54.79 53.30 2arv n ASP 5 Cb 0.29 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.53 2arv n ASP 5 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2arv n GLY 6 N 4.32 2.43 0.86 6.12 0.00 -1.26 -4.25 105.19 113.41 2arv n GLY 6 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.41 2arv n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2arv n LYS 7 N 0.39 0.06 -2.33 1.61 3.00 -1.26 -5.02 118.16 114.61 2arv n LYS 7 Ca 0.17 0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 58.09 2arv n LYS 7 Cb 0.85 -0.62 -0.03 0.00 0.00 0.00 0.00 35.03 35.22 2arv n LYS 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2arv s VAL 8 N -2.05 3.71 -1.39 3.15 0.11 -1.26 -4.92 120.40 117.75 2arv s VAL 8 Ca -0.04 1.26 0.24 0.00 -2.93 0.00 0.00 61.98 60.51 2arv s VAL 8 Cb 0.01 -3.80 0.05 0.00 -1.53 0.00 0.00 36.38 31.11 2arv s VAL 8 CO 0.05 0.11 1.33 0.59 -3.33 0.00 0.00 175.10 173.85 2arv n ASN 9 N 3.73 0.97 -4.91 3.54 3.02 -1.26 -4.85 115.26 115.51 2arv n ASN 9 Ca 0.09 -0.77 -0.27 0.00 -0.03 0.00 0.00 54.58 53.60 2arv n ASN 9 Cb 0.45 0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.99 2arv n ASN 9 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2arv s ILE 10 N -2.77 4.91 -0.42 2.41 -4.36 -1.26 -1.15 121.20 118.56 2arv s ILE 10 Ca 0.16 0.21 -0.44 0.00 -0.26 0.00 0.00 60.65 60.32 2arv s ILE 10 Cb 0.18 -3.86 -0.18 0.00 1.25 0.00 0.00 42.46 39.85 2arv s ILE 10 CO 0.65 -0.83 1.66 0.00 0.24 0.00 0.00 174.94 176.66 2arv s LYS 13 N -3.97 4.42 -0.22 0.00 2.20 -0.41 -2.44 119.74 119.32 2arv s LYS 13 Ca 0.16 1.19 -0.10 0.00 -0.36 0.00 0.00 55.97 56.87 2arv s LYS 13 Cb 0.04 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2arv s LYS 13 CO -0.01 -0.19 0.14 0.21 -0.36 0.00 0.00 175.35 175.13 2arv s LYS 14 N 1.61 4.13 0.18 4.03 2.47 0.17 -0.80 119.74 131.53 2arv s LYS 14 Ca 0.44 -0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 54.31 2arv s LYS 14 Cb -0.18 -3.46 -0.08 0.00 -1.46 0.00 0.00 37.83 32.65 2arv s LYS 14 CO 0.18 0.19 1.09 -1.14 0.16 0.00 0.00 175.35 175.84 2arv s GLN 15 N 0.67 4.60 -0.24 4.03 2.00 -1.26 -0.98 119.66 128.48 2arv s GLN 15 Ca 0.08 1.71 -0.04 0.00 -2.00 0.00 0.00 55.36 55.11 2arv s GLN 15 Cb -0.12 -3.28 0.13 0.00 0.80 0.00 0.00 33.01 30.54 2arv s GLN 15 CO 0.01 0.09 0.42 0.12 -0.50 0.00 0.00 175.29 175.43 2arv s PHE 16 N -0.29 -0.92 -0.03 1.67 5.36 -1.26 -4.87 117.98 117.64 2arv s PHE 16 Ca 0.49 1.13 -0.13 0.00 -0.96 0.00 0.00 56.93 57.45 2arv s PHE 16 Cb -0.29 0.17 -0.05 0.00 -0.34 0.00 0.00 43.02 42.50 2arv s PHE 16 CO 0.35 -0.68 0.36 0.12 -1.46 0.00 0.00 175.22 173.91 2arv s PHE 17 N 2.60 3.68 -0.12 10.12 5.36 -1.26 -0.95 117.98 137.42 2arv s PHE 17 Ca 0.10 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 56.97 2arv s PHE 17 Cb -0.14 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 2arv s PHE 17 CO -0.16 0.62 -0.15 0.54 -1.46 0.00 0.00 175.22 174.61 2arv s VAL 18 N -0.92 1.53 -0.14 3.12 0.11 0.19 -4.92 120.40 119.37 2arv s VAL 18 Ca 0.22 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.46 2arv s VAL 18 Cb -0.16 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2arv s VAL 18 CO 0.11 0.45 0.39 -0.55 -3.33 0.00 0.00 175.10 172.17 2arv s SER 19 N 1.05 6.57 0.21 3.54 0.15 -1.26 -1.02 113.70 122.95 2arv s SER 19 Ca -0.05 0.68 0.05 0.00 0.70 0.00 0.00 55.95 57.33 2arv s SER 19 Cb -0.15 -2.24 0.16 0.00 -1.71 0.00 0.00 66.02 62.09 2arv s SER 19 CO -0.03 0.05 1.50 -0.26 1.20 0.00 0.00 173.24 175.69 2arv h PHE 20 N 6.69 0.23 -0.19 3.44 0.04 -1.59 -2.40 116.94 123.15 2arv h PHE 20 Ca -0.41 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.30 2arv h PHE 20 Cb 1.17 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.24 2arv h PHE 20 CO 0.61 0.82 -0.09 -0.22 -0.60 0.00 0.00 178.31 178.84 2arv h LYS 21 N 0.11 -0.06 -0.67 1.51 3.64 -1.93 0.36 116.57 119.53 2arv h LYS 21 Ca -0.02 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2arv h LYS 21 Cb 1.27 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 2arv h LYS 21 CO 0.11 -0.04 0.26 -0.44 -2.27 0.00 0.00 179.45 177.06 2arv h ASP 22 N -0.06 0.24 -0.04 4.20 3.45 -1.80 -2.65 116.42 119.76 2arv h ASP 22 Ca 0.10 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.66 2arv h ASP 22 Cb 0.22 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 2arv h ASP 22 CO -0.23 0.12 0.00 2.30 -1.57 0.00 0.00 179.24 179.86 2arv n ILE 23 N -5.00 0.02 -0.51 0.35 -5.35 -1.07 -4.95 119.36 102.85 2arv n ILE 23 Ca 0.11 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2arv n ILE 23 Cb 0.33 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2arv n ILE 23 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2arv n GLY 24 N 1.30 0.70 0.00 3.28 0.00 -0.71 -4.97 105.19 104.79 2arv n GLY 24 Ca 0.16 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.72 2arv n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2arv n TRP 25 N -2.50 0.00 0.59 1.61 7.02 0.12 -4.39 117.44 119.89 2arv n TRP 25 Ca 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.54 2arv n TRP 25 Cb 0.01 -0.03 0.32 0.00 -2.42 0.00 0.00 31.31 29.18 2arv n TRP 25 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2arv n ASN 26 N -1.51 0.00 0.20 -0.99 6.94 -1.04 -1.22 115.26 117.63 2arv n ASN 26 Ca 0.03 0.12 0.07 0.00 -0.02 0.00 0.00 54.58 54.78 2arv n ASN 26 Cb 0.32 -0.29 0.34 0.00 -2.36 0.00 0.00 39.78 37.79 2arv n ASN 26 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2arv h ASP 27 N 0.00 0.00 0.00 0.53 -0.00 -1.90 -3.34 116.42 111.71 2arv h ASP 27 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.03 56.72 2arv h ASP 27 Cb 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.39 2arv h ASP 27 CO 0.00 0.33 -2.19 0.79 -0.00 0.00 0.00 179.24 178.17 2arv n TRP 28 N -3.43 0.00 -3.66 4.15 7.02 -0.36 -4.88 117.44 116.29 2arv n TRP 28 Ca 0.00 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.09 2arv n TRP 28 Cb 0.51 -0.84 -0.12 0.00 -2.42 0.00 0.00 31.31 28.44 2arv n TRP 28 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2arv s ILE 29 N -2.42 4.34 -0.00 -0.99 1.01 -0.76 -1.14 121.20 121.24 2arv s ILE 29 Ca -0.13 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 2arv s ILE 29 Cb 0.06 -3.37 -0.34 0.00 0.01 0.00 0.00 42.46 38.81 2arv s ILE 29 CO 0.65 -0.13 0.95 0.40 0.00 0.00 0.00 174.94 176.81 2arv h ILE 30 N 5.90 1.34 -2.34 2.92 2.04 -1.16 -3.40 117.51 122.81 2arv h ILE 30 Ca -0.27 -2.64 -0.08 0.00 1.00 0.00 0.00 64.86 62.88 2arv h ILE 30 Cb 1.11 3.08 -0.22 0.00 -0.74 0.00 0.00 36.82 40.05 2arv h ILE 30 CO 0.64 0.78 -0.03 0.00 0.00 0.00 0.00 178.15 179.54 2arv s ALA 31 N -2.54 -1.43 0.97 1.87 0.00 -0.98 -4.55 121.76 115.09 2arv s ALA 31 Ca -0.11 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.31 2arv s ALA 31 Cb 0.03 -0.81 0.11 0.00 0.00 0.00 0.00 23.12 22.45 2arv s ALA 31 CO 0.90 -0.28 0.67 -0.35 0.00 0.00 0.00 175.76 176.70 2arv n PRO 32 N 2.51 -0.60 0.16 0.00 -0.04 -1.26 -0.56 135.00 135.22 2arv n PRO 32 Ca -0.15 -1.07 0.09 0.00 -0.04 0.00 0.00 63.50 62.33 2arv n PRO 32 Cb 0.56 -0.67 0.08 0.00 -0.04 0.00 0.00 33.50 33.43 2arv n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2arv h SER 33 N -0.85 0.00 -1.41 3.54 4.64 -1.92 -3.47 113.55 114.08 2arv h SER 33 Ca -0.22 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.28 2arv h SER 33 Cb 0.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 2arv h SER 33 CO 0.16 0.15 0.48 0.61 -0.87 0.00 0.00 176.83 177.36 2arv n GLY 34 N 1.17 0.52 3.67 -0.77 0.00 -1.26 -1.44 105.19 107.07 2arv n GLY 34 Ca 0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 2arv n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2arv s TYR 35 N -2.79 -0.10 -0.66 1.61 1.13 -0.19 -4.98 117.35 111.36 2arv s TYR 35 Ca 0.16 -0.08 -0.22 0.00 -1.41 0.00 0.00 57.07 55.52 2arv s TYR 35 Cb -0.01 0.58 0.07 0.00 -1.10 0.00 0.00 41.96 41.51 2arv s TYR 35 CO 0.01 -0.51 0.96 -1.01 -2.51 0.00 0.00 175.55 172.49 2arv s HIS 36 N -2.82 2.69 0.11 -3.49 3.76 -1.26 -0.64 115.29 113.64 2arv s HIS 36 Ca 0.12 -0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 54.36 2arv s HIS 36 Cb 0.02 -4.29 -0.12 0.00 1.11 0.00 0.00 32.58 29.29 2arv s HIS 36 CO -0.02 -1.64 1.30 0.00 -0.85 0.00 0.00 174.74 173.53 2arv h ALA 37 N 9.55 0.32 -3.24 -1.40 0.00 -1.33 -3.44 119.26 119.72 2arv h ALA 37 Ca -0.28 -0.65 0.36 0.00 0.00 0.00 0.00 54.91 54.35 2arv h ALA 37 Cb 1.07 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 2arv h ALA 37 CO 1.18 0.72 -0.84 0.09 0.00 0.00 0.00 179.25 180.41 2arv n ASN 38 N -3.86 -8.40 -3.20 0.00 3.02 -0.87 -1.16 115.26 100.79 2arv n ASN 38 Ca -0.08 0.95 -0.07 0.00 -0.03 0.00 0.00 54.58 55.35 2arv n ASN 38 Cb 0.79 -4.49 0.01 0.00 -0.61 0.00 0.00 39.78 35.48 2arv n ASN 38 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2arv s TYR 39 N -3.11 0.04 -0.02 3.10 -0.85 -0.15 -4.61 117.35 111.74 2arv s TYR 39 Ca 0.00 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 55.96 2arv s TYR 39 Cb 0.00 0.79 -0.03 0.00 0.38 0.00 0.00 41.96 43.10 2arv s TYR 39 CO 0.00 -1.39 -0.12 0.00 -1.52 0.00 0.00 175.55 172.52 2arv s GLU 41 N -1.05 0.74 0.00 0.00 2.12 -1.02 -4.92 118.70 114.57 2arv s GLU 41 Ca 0.14 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2arv s GLU 41 Cb -0.11 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.64 2arv s GLU 41 CO 0.03 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2arv n GLY 42 N 2.01 4.02 3.80 -1.50 0.00 -1.26 -1.01 105.19 111.24 2arv n GLY 42 Ca -0.14 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2arv n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2arv s GLU 43 N -3.15 3.41 -0.54 1.61 2.02 -0.30 -4.20 118.70 117.55 2arv s GLU 43 Ca 0.00 1.29 0.07 0.00 0.02 0.00 0.00 54.97 56.35 2arv s GLU 43 Cb 0.00 -2.04 0.30 0.00 0.10 0.00 0.00 34.13 32.49 2arv s GLU 43 CO 0.00 -0.74 0.80 0.00 0.02 0.00 0.00 175.26 175.33 2arv s PRO 45 N -2.71 2.70 0.00 0.00 0.04 -1.26 -4.79 135.00 128.98 2arv s PRO 45 Ca 0.43 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2arv s PRO 45 Cb 0.24 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2arv s PRO 45 CO -0.09 -0.89 0.00 0.45 0.04 0.00 0.00 177.00 176.51 2arv n SER 46 N -2.73 0.00 -1.90 6.66 2.88 -1.26 -5.17 113.62 112.10 2arv n SER 46 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2arv n SER 46 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2arv n SER 46 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2arv n SER 57 N 0.10 -8.32 -0.16 -3.46 2.88 -1.26 -5.09 113.62 98.32 2arv n SER 57 Ca 0.00 1.35 -0.02 0.00 -1.33 0.00 0.00 58.87 58.87 2arv n SER 57 Cb 0.00 -4.76 0.06 0.00 -0.75 0.00 0.00 64.21 58.76 2arv n SER 57 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2arv h PHE 58 N 3.13 -0.05 -0.01 0.66 3.57 -2.03 0.73 116.94 122.94 2arv h PHE 58 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2arv h PHE 58 Cb 0.00 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2arv h PHE 58 CO 0.00 -0.12 0.00 1.25 -2.23 0.00 0.00 178.31 177.21 2arv h HIS 59 N 0.10 0.01 -0.78 0.41 2.76 -2.03 -1.25 115.15 114.37 2arv h HIS 59 Ca 0.25 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 2arv h HIS 59 Cb 0.37 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 2arv h HIS 59 CO -0.32 0.06 0.34 0.77 -1.30 0.00 0.00 177.93 177.47 2arv h SER 60 N -0.04 1.05 -0.62 3.26 0.02 -1.80 -2.53 113.55 112.89 2arv h SER 60 Ca 0.00 -0.15 0.13 0.00 -0.84 0.00 0.00 61.79 60.93 2arv h SER 60 Cb 0.05 -0.27 -0.11 0.00 0.14 0.00 0.00 62.40 62.20 2arv h SER 60 CO -0.00 0.92 -0.11 0.74 -1.14 0.00 0.00 176.83 177.24 2arv h THR 61 N 1.13 0.40 -0.15 -2.27 2.02 0.11 0.14 112.91 114.30 2arv h THR 61 Ca 0.26 -0.01 -0.15 0.00 0.77 0.00 0.00 66.41 67.29 2arv h THR 61 Cb 0.18 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2arv h THR 61 CO -0.03 0.01 -0.53 -0.37 0.37 0.00 0.00 175.52 174.97 2arv h VAL 62 N 0.03 1.34 -0.57 3.16 -1.51 -0.83 -1.79 116.25 116.08 2arv h VAL 62 Ca 0.31 -1.79 0.01 0.00 -1.23 0.00 0.00 66.70 63.99 2arv h VAL 62 Cb 0.48 1.81 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 2arv h VAL 62 CO -0.61 0.55 0.38 0.40 -1.23 0.00 0.00 177.57 177.05 2arv h ILE 63 N 0.32 1.14 -0.80 7.19 1.08 -1.19 -2.64 117.51 122.62 2arv h ILE 63 Ca 0.01 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2arv h ILE 63 Cb 1.04 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 2arv h ILE 63 CO 0.09 0.14 0.53 -1.13 -0.69 0.00 0.00 178.15 177.09 2arv h ASN 64 N 0.77 0.89 0.01 1.72 -1.24 -0.23 -1.79 115.58 115.71 2arv h ASN 64 Ca 0.21 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.23 2arv h ASN 64 Cb -0.09 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 2arv h ASN 64 CO -0.05 0.63 -0.23 -0.74 -1.29 0.00 0.00 177.43 175.76 2arv h HIS 65 N 1.04 -0.60 -0.32 0.67 2.76 -0.97 -2.10 115.15 115.63 2arv h HIS 65 Ca 0.30 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.34 2arv h HIS 65 Cb -0.06 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2arv h HIS 65 CO -0.00 -0.32 -0.41 1.88 -1.30 0.00 0.00 177.93 177.78 2arv h TYR 66 N -0.36 0.94 -0.63 5.26 -1.99 -1.32 -2.58 116.97 116.29 2arv h TYR 66 Ca 0.06 -0.29 0.09 0.00 2.00 0.00 0.00 58.73 60.59 2arv h TYR 66 Cb 0.44 -0.20 -0.07 0.00 2.00 0.00 0.00 36.73 38.90 2arv h TYR 66 CO -0.26 1.06 0.28 -0.09 -0.00 0.00 0.00 178.16 179.15 2arv h ARG 67 N 0.64 0.48 -0.05 4.88 2.43 -1.24 -2.20 114.38 119.31 2arv h ARG 67 Ca 0.05 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2arv h ARG 67 Cb 0.98 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2arv h ARG 67 CO 0.09 0.32 -0.20 0.52 -1.51 0.00 0.00 179.97 179.19 2arv h MET 68 N 0.49 0.09 -7.45 0.20 2.86 -0.99 -3.40 114.93 106.73 2arv h MET 68 Ca 0.31 -0.02 -0.47 0.00 -2.06 0.00 0.00 59.70 57.46 2arv h MET 68 Cb 0.34 -0.01 0.13 0.00 0.06 0.00 0.00 31.60 32.12 2arv h MET 68 CO -0.27 0.29 0.30 1.03 1.06 0.00 0.00 176.91 179.32 2arv s ARG 69 N -4.59 1.41 -0.11 1.72 0.52 -0.83 -4.94 118.95 112.13 2arv s ARG 69 Ca -0.04 0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2arv s ARG 69 Cb 0.15 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 2arv s ARG 69 CO 0.72 -2.05 2.44 0.41 0.02 0.00 0.00 175.30 176.84 2arv n GLY 70 N -2.03 3.13 3.59 -3.53 0.00 -1.26 -4.81 105.19 100.28 2arv n GLY 70 Ca 0.07 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2arv n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2arv s HIS 71 N -0.33 3.14 -1.56 1.61 3.76 -1.24 -4.92 115.29 115.75 2arv s HIS 71 Ca 0.27 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.75 2arv s HIS 71 Cb 0.16 -3.28 0.16 0.00 1.11 0.00 0.00 32.58 30.74 2arv s HIS 71 CO -0.02 -0.67 0.86 0.45 -0.85 0.00 0.00 174.74 174.51 2arv n SER 72 N 6.25 0.00 -0.01 1.40 2.88 -1.26 -0.82 113.62 122.06 2arv n SER 72 Ca 0.02 0.16 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2arv n SER 72 Cb 0.48 -0.22 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 2arv n SER 72 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2arv h PRO 73 N 0.00 -0.09 -0.01 -1.46 0.11 -1.96 -3.42 132.00 125.17 2arv h PRO 73 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2arv h PRO 73 Cb 0.02 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2arv h PRO 73 CO 0.00 0.40 -0.01 1.19 -0.21 0.00 0.00 178.00 179.36 2arv n PHE 74 N -4.78 0.00 -0.23 0.65 3.01 -0.10 -4.60 117.46 111.41 2arv n PHE 74 Ca -0.06 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.37 2arv n PHE 74 Cb 0.25 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.80 2arv n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2arv h ALA 75 N 2.20 0.86 -0.34 4.37 0.00 -1.22 -2.35 119.26 122.77 2arv h ALA 75 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2arv h ALA 75 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2arv h ALA 75 CO 0.00 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.44 2arv n ASN 76 N -4.74 3.00 -4.59 0.00 5.03 -1.26 -4.88 115.26 107.81 2arv n ASN 76 Ca 0.07 -1.93 -0.43 0.00 0.87 0.00 0.00 54.58 53.16 2arv n ASN 76 Cb 0.12 -0.22 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 2arv n ASN 76 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2arv s LEU 77 N -1.48 3.79 0.17 3.41 0.20 -0.89 -5.01 118.68 118.87 2arv s LEU 77 Ca 0.37 0.43 -0.30 0.00 0.69 0.00 0.00 54.13 55.33 2arv s LEU 77 Cb 0.21 -3.43 -0.07 0.00 -0.43 0.00 0.00 46.19 42.47 2arv s LEU 77 CO 0.30 -1.14 0.94 -0.54 -0.29 0.00 0.00 176.35 175.63 2arv s LYS 78 N 4.13 4.77 -0.04 1.98 1.02 -1.26 -5.04 119.74 125.30 2arv s LYS 78 Ca 0.44 1.46 -0.21 0.00 0.02 0.00 0.00 55.97 57.67 2arv s LYS 78 Cb -0.09 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2arv s LYS 78 CO 0.28 0.37 0.62 0.45 -0.92 0.00 0.00 175.35 176.15 2arv s SER 79 N -0.58 6.95 0.19 2.83 0.15 -1.26 -4.97 113.70 117.00 2arv s SER 79 Ca 0.44 1.14 0.09 0.00 0.70 0.00 0.00 55.95 58.31 2arv s SER 79 Cb -0.25 -2.38 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 2arv s SER 79 CO 0.31 0.01 -0.18 0.00 1.20 0.00 0.00 173.24 174.57 2arv s VAL 82 N 3.58 0.19 0.37 0.00 -7.23 -0.25 -4.62 120.40 112.45 2arv s VAL 82 Ca 0.38 -1.68 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 2arv s VAL 82 Cb -0.11 -1.52 -0.10 0.00 0.56 0.00 0.00 36.38 35.20 2arv s VAL 82 CO 0.21 -0.88 1.38 -2.84 -0.31 0.00 0.00 175.10 172.66 2arv s PRO 83 N -3.92 4.14 0.00 4.82 0.02 -1.26 -1.02 135.00 137.78 2arv s PRO 83 Ca 0.08 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2arv s PRO 83 Cb 0.07 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2arv s PRO 83 CO -0.09 -0.42 0.00 0.25 -0.33 0.00 0.00 177.00 176.41 2arv n THR 84 N 0.47 0.00 -3.80 0.99 -2.24 0.17 -4.77 114.28 105.11 2arv n THR 84 Ca 0.01 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 2arv n THR 84 Cb 0.41 0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 2arv n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2arv s LYS 85 N -1.22 0.21 0.04 -0.78 2.20 -1.11 -4.96 119.74 114.12 2arv s LYS 85 Ca 0.00 0.29 0.05 0.00 -0.36 0.00 0.00 55.97 55.95 2arv s LYS 85 Cb 0.00 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.37 2arv s LYS 85 CO 0.00 -0.05 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.29 2arv s LEU 86 N 0.25 2.17 0.16 5.43 1.02 -1.26 -1.51 118.68 124.94 2arv s LEU 86 Ca -0.01 -0.46 0.08 0.00 0.02 0.00 0.00 54.13 53.76 2arv s LEU 86 Cb -0.03 -0.60 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 2arv s LEU 86 CO -0.01 0.03 -0.10 -0.60 0.02 0.00 0.00 176.35 175.70 2arv s ARG 87 N -1.15 2.08 0.75 1.70 3.52 0.12 -4.75 118.95 121.23 2arv s ARG 87 Ca 0.01 -1.19 -0.10 0.00 -0.13 0.00 0.00 55.73 54.32 2arv s ARG 87 Cb -0.08 -2.20 0.06 0.00 -1.56 0.00 0.00 34.95 31.16 2arv s ARG 87 CO 0.01 0.46 1.11 -1.25 -0.81 0.00 0.00 175.30 174.82 2arv s PRO 88 N -2.64 2.28 -0.09 5.12 0.04 -1.26 -1.89 135.00 136.55 2arv s PRO 88 Ca 0.24 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 2arv s PRO 88 Cb -0.09 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2arv s PRO 88 CO 0.15 -1.34 0.32 1.41 0.04 0.00 0.00 177.00 177.58 2arv s MET 89 N -5.43 0.47 0.13 4.56 1.75 -0.09 -4.85 119.30 115.84 2arv s MET 89 Ca 0.60 0.27 -0.31 0.00 -1.25 0.00 0.00 55.69 55.01 2arv s MET 89 Cb -0.11 0.22 -0.08 0.00 2.84 0.00 0.00 34.83 37.70 2arv s MET 89 CO 0.49 -0.08 1.31 0.45 -0.65 0.00 0.00 175.02 176.53 2arv s SER 90 N -0.25 6.93 0.02 1.11 0.15 -1.26 -1.08 113.70 119.31 2arv s SER 90 Ca -0.04 2.27 0.03 0.00 0.70 0.00 0.00 55.95 58.91 2arv s SER 90 Cb -0.03 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2arv s SER 90 CO 0.01 -0.55 -0.09 -0.32 1.20 0.00 0.00 173.24 173.50 2arv s MET 91 N 0.62 0.61 -0.15 5.44 0.00 -0.49 -4.44 119.30 120.89 2arv s MET 91 Ca 0.60 -0.51 0.01 0.00 0.00 0.00 0.00 55.69 55.79 2arv s MET 91 Cb -0.35 -0.53 0.00 0.00 0.00 0.00 0.00 34.83 33.95 2arv s MET 91 CO 0.33 0.13 -0.19 -0.51 0.00 0.00 0.00 175.02 174.78 2arv s LEU 92 N -0.81 2.29 0.12 4.11 1.43 0.28 -1.61 118.68 124.49 2arv s LEU 92 Ca -0.02 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2arv s LEU 92 Cb -0.06 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.68 2arv s LEU 92 CO 0.00 0.08 0.36 -0.72 0.23 0.00 0.00 176.35 176.30 2arv s TYR 93 N 0.84 -0.13 0.21 0.29 -0.85 -0.16 -0.70 117.35 116.86 2arv s TYR 93 Ca -0.06 -0.21 -0.22 0.00 -0.52 0.00 0.00 57.07 56.06 2arv s TYR 93 Cb -0.15 0.19 -0.08 0.00 0.38 0.00 0.00 41.96 42.30 2arv s TYR 93 CO -0.01 -0.67 0.76 0.71 -1.52 0.00 0.00 175.55 174.81 2arv s TYR 94 N -3.82 3.73 0.42 -3.49 1.51 -0.29 0.36 117.35 115.77 2arv s TYR 94 Ca 0.03 1.49 0.08 0.00 -1.01 0.00 0.00 57.07 57.66 2arv s TYR 94 Cb 0.02 -2.69 0.01 0.00 -0.11 0.00 0.00 41.96 39.20 2arv s TYR 94 CO -0.12 0.38 0.57 0.16 -1.11 0.00 0.00 175.55 175.43 2arv s ASP 95 N -1.50 5.66 0.00 2.29 -4.77 -0.07 -4.87 116.67 113.41 2arv s ASP 95 Ca 0.41 -0.40 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 2arv s ASP 95 Cb -0.19 -0.69 0.00 0.00 -1.09 0.00 0.00 42.92 40.95 2arv s ASP 95 CO 0.23 -0.76 0.63 0.47 0.70 0.00 0.00 175.17 176.43 2arv n ASP 96 N -1.86 0.00 -0.48 2.11 8.00 -1.26 0.29 116.55 123.36 2arv n ASP 96 Ca 0.08 0.19 0.07 0.00 0.71 0.00 0.00 54.79 55.83 2arv n ASP 96 Cb 0.59 -0.19 0.16 0.00 -0.02 0.00 0.00 41.12 41.66 2arv n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2arv n GLY 97 N -1.13 3.79 3.80 0.44 0.00 -1.26 -4.99 105.19 105.84 2arv n GLY 97 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 2arv n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2arv n GLN 98 N -0.51 -1.80 -4.50 1.61 10.64 0.83 -5.01 117.38 118.64 2arv n GLN 98 Ca 0.14 0.40 -0.34 0.00 -1.83 0.00 0.00 57.00 55.37 2arv n GLN 98 Cb 0.61 -4.10 -0.11 0.00 -0.86 0.00 0.00 30.24 25.79 2arv n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2arv s ASN 99 N -3.76 4.86 -0.22 2.61 0.02 -1.25 -4.83 114.94 112.37 2arv s ASN 99 Ca 0.33 0.01 -0.29 0.00 -1.02 0.00 0.00 52.86 51.88 2arv s ASN 99 Cb -0.13 -1.39 -0.01 0.00 0.02 0.00 0.00 41.25 39.74 2arv s ASN 99 CO 0.88 0.33 1.32 -0.63 0.02 0.00 0.00 177.10 179.02 2arv s ILE 100 N -0.59 4.15 -0.13 0.60 1.01 -1.26 -0.89 121.20 124.10 2arv s ILE 100 Ca 0.09 1.35 -0.03 0.00 0.00 0.00 0.00 60.65 62.07 2arv s ILE 100 Cb -0.12 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2arv s ILE 100 CO 0.02 -0.27 -0.02 -0.63 0.00 0.00 0.00 174.94 174.04 2arv s ILE 101 N 3.99 4.13 -0.19 2.92 -1.09 0.16 -4.93 121.20 126.19 2arv s ILE 101 Ca 0.57 -0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.66 2arv s ILE 101 Cb -0.20 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 2arv s ILE 101 CO 0.20 0.54 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.68 2arv s LYS 102 N -0.17 3.64 -0.22 2.79 2.20 -1.26 -0.98 119.74 125.74 2arv s LYS 102 Ca 0.04 -0.52 -0.26 0.00 -0.36 0.00 0.00 55.97 54.88 2arv s LYS 102 Cb -0.13 -3.02 0.07 0.00 -1.51 0.00 0.00 37.83 33.24 2arv s LYS 102 CO 0.02 0.09 0.69 0.21 -0.36 0.00 0.00 175.35 176.01 2arv s LYS 103 N 0.78 0.86 -0.04 4.03 2.20 -0.63 -5.00 119.74 121.94 2arv s LYS 103 Ca -0.00 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 2arv s LYS 103 Cb -0.14 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2arv s LYS 103 CO 0.02 -0.14 1.31 -0.51 -0.36 0.00 0.00 175.35 175.66 2arv s ASP 104 N 0.07 6.94 -0.20 1.43 -0.00 -1.26 -1.39 116.67 122.26 2arv s ASP 104 Ca -0.02 1.95 -0.08 0.00 -0.00 0.00 0.00 52.55 54.40 2arv s ASP 104 Cb -0.04 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.28 2arv s ASP 104 CO 0.03 -0.67 0.08 -0.63 -0.00 0.00 0.00 175.17 173.98 2arv s ILE 105 N 2.43 4.83 0.52 0.77 -1.09 -0.24 -4.91 121.20 123.51 2arv s ILE 105 Ca 0.60 -0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.90 2arv s ILE 105 Cb -0.28 -3.20 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 2arv s ILE 105 CO 0.24 0.44 0.90 -1.10 -1.23 0.00 0.00 174.94 174.18 2arv s GLN 106 N 0.56 3.69 -1.32 2.79 -1.52 -1.26 -0.91 119.66 121.69 2arv s GLN 106 Ca 0.04 0.58 -0.05 0.00 -1.95 0.00 0.00 55.36 53.98 2arv s GLN 106 Cb -0.13 -2.24 0.02 0.00 -0.22 0.00 0.00 33.01 30.44 2arv s GLN 106 CO 0.01 -0.30 1.02 0.09 -0.25 0.00 0.00 175.29 175.86 2arv n ASN 107 N -2.09 -3.92 -0.09 5.90 3.02 -1.23 -4.90 115.26 111.95 2arv n ASN 107 Ca 0.04 -0.64 -0.16 0.00 -0.03 0.00 0.00 54.58 53.79 2arv n ASN 107 Cb 0.54 -4.76 -0.14 0.00 -0.61 0.00 0.00 39.78 34.81 2arv n ASN 107 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2arv n MET 108 N -4.56 0.68 -4.57 3.52 2.81 -0.94 -4.97 117.12 109.10 2arv n MET 108 Ca -0.13 0.15 -0.32 0.00 -1.81 0.00 0.00 57.70 55.59 2arv n MET 108 Cb 0.61 -1.58 -0.16 0.00 -0.71 0.00 0.00 33.22 31.37 2arv n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2arv s ILE 109 N -2.53 1.92 -0.31 2.02 1.01 -0.79 -4.72 121.20 117.80 2arv s ILE 109 Ca -0.24 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2arv s ILE 109 Cb 0.08 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2arv s ILE 109 CO 0.71 0.52 1.47 -0.69 0.00 0.00 0.00 174.94 176.95 2arv s VAL 110 N 0.91 3.88 -0.20 2.92 1.01 -0.31 -0.70 120.40 127.91 2arv s VAL 110 Ca -0.06 0.96 0.17 0.00 0.00 0.00 0.00 61.98 63.05 2arv s VAL 110 Cb -0.15 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.00 2arv s VAL 110 CO -0.03 -0.50 0.05 1.21 0.00 0.00 0.00 175.10 175.84 2arv n GLU 111 N 7.73 0.81 -3.74 2.72 4.07 -0.57 -4.71 120.64 126.95 2arv n GLU 111 Ca 0.17 -0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.13 2arv n GLU 111 Cb 0.47 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 30.26 2arv n GLU 111 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2arv s GLU 112 N -2.47 0.64 0.11 5.31 2.12 -1.12 -4.96 118.70 118.33 2arv s GLU 112 Ca -0.11 0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.31 2arv s GLU 112 Cb 0.06 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 2arv s GLU 112 CO 0.79 -0.16 -0.15 0.00 -0.54 0.00 0.00 175.26 175.19 2arv s GLY 114 N -2.16 0.58 0.12 0.00 0.00 -0.19 -4.45 107.32 101.22 2arv s GLY 114 Ca 0.19 -0.92 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 2arv s GLY 114 CO 0.11 -0.67 0.60 0.00 0.00 0.00 0.00 173.10 173.14