#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1egr s GLN 2 N 0.00 2.29 -0.59 0.03 1.11 -1.26 -1.45 119.66 119.80 1egr s GLN 2 Ca 0.00 -1.83 -0.23 0.00 0.01 0.00 0.00 55.36 53.31 1egr s GLN 2 Cb 0.00 -3.78 0.06 0.00 -1.01 0.00 0.00 33.01 28.28 1egr s GLN 2 CO 0.00 -1.15 0.90 0.99 0.01 0.00 0.00 175.29 176.04 1egr s THR 3 N 1.19 4.45 -0.14 -0.19 2.01 -0.59 -1.38 115.64 120.99 1egr s THR 3 Ca 0.07 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 1egr s THR 3 Cb -0.24 -4.56 -0.05 0.00 0.01 0.00 0.00 72.50 67.67 1egr s THR 3 CO -0.02 -1.20 0.36 -0.69 -0.69 0.00 0.00 174.62 172.38 1egr s VAL 4 N 3.76 5.25 -0.24 3.82 1.01 0.03 0.12 120.40 134.15 1egr s VAL 4 Ca 0.24 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 1egr s VAL 4 Cb -0.15 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1egr s VAL 4 CO 0.14 0.38 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1egr s ILE 5 N 0.42 3.10 -0.52 2.22 1.09 0.56 -0.75 121.20 127.33 1egr s ILE 5 Ca 0.20 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.83 1egr s ILE 5 Cb -0.14 -2.51 0.13 0.00 -1.06 0.00 0.00 42.46 38.88 1egr s ILE 5 CO 0.07 0.27 0.40 -0.36 -0.10 0.00 0.00 174.94 175.22 1egr s PHE 6 N 1.39 3.44 0.00 3.97 0.40 0.30 -1.82 117.98 125.66 1egr s PHE 6 Ca 0.02 -1.92 0.00 0.00 -0.60 0.00 0.00 56.93 54.43 1egr s PHE 6 Cb -0.16 -3.52 0.00 0.00 0.51 0.00 0.00 43.02 39.85 1egr s PHE 6 CO -0.04 -0.98 0.00 0.41 0.70 0.00 0.00 175.22 175.31 1egr n GLY 7 N 4.73 6.44 3.12 4.36 0.00 -1.07 -1.29 105.19 121.49 1egr n GLY 7 Ca -0.05 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 1egr n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1egr s ARG 8 N 1.00 2.36 -0.47 1.61 3.00 -1.26 -2.12 118.95 123.08 1egr s ARG 8 Ca 0.00 -0.65 -0.32 0.00 -1.00 0.00 0.00 55.73 53.76 1egr s ARG 8 Cb 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 34.95 32.99 1egr s ARG 8 CO 0.00 0.11 2.32 -1.13 0.00 0.00 0.00 175.30 176.59 1egr n SER 9 N 3.66 1.96 0.00 -2.12 3.41 -1.26 -1.09 113.62 118.17 1egr n SER 9 Ca -0.21 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1egr n SER 9 Cb 0.52 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1egr n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1egr n GLY 10 N 6.39 0.93 3.38 5.00 0.00 -1.26 -5.08 105.19 114.55 1egr n GLY 10 Ca 0.43 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.00 1egr n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1egr n PRO 12 N 5.22 0.00 -0.02 0.00 -0.04 -1.26 -1.02 135.00 137.88 1egr n PRO 12 Ca 0.16 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1egr n PRO 12 Cb 0.47 -1.51 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1egr n PRO 12 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1egr h TYR 13 N 0.00 0.81 -0.71 0.54 0.05 -1.98 -2.26 116.97 113.42 1egr h TYR 13 Ca 0.00 -0.29 0.03 0.00 0.05 0.00 0.00 58.73 58.52 1egr h TYR 13 Cb 0.02 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.57 1egr h TYR 13 CO 0.00 1.06 0.44 0.00 -1.05 0.00 0.00 178.16 178.61 1egr h VAL 15 N 0.87 0.19 -0.58 0.00 2.07 -1.66 0.24 116.25 117.37 1egr h VAL 15 Ca 0.29 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.92 1egr h VAL 15 Cb 0.03 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 29.88 1egr h VAL 15 CO -0.11 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.50 1egr h ARG 16 N -0.87 0.10 0.19 1.57 2.47 -0.82 0.24 114.38 117.26 1egr h ARG 16 Ca -0.05 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1egr h ARG 16 Cb 0.75 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 1egr h ARG 16 CO -0.03 0.07 -0.27 0.00 0.56 0.00 0.00 179.97 180.30 1egr h ALA 17 N 1.53 -0.51 -0.72 0.04 0.00 -0.35 0.46 119.26 119.72 1egr h ALA 17 Ca 0.30 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1egr h ALA 17 Cb 0.47 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1egr h ALA 17 CO -0.50 -0.83 -0.10 -0.22 0.00 0.00 0.00 179.25 177.60 1egr h LYS 18 N -0.52 0.04 0.48 0.00 3.11 0.13 0.33 116.57 120.14 1egr h LYS 18 Ca 0.01 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1egr h LYS 18 Cb 0.52 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1egr h LYS 18 CO -0.11 0.03 -0.23 -0.44 -2.81 0.00 0.00 179.45 175.88 1egr h ASP 19 N 0.04 -0.55 -0.32 4.20 3.32 0.06 0.26 116.42 123.42 1egr h ASP 19 Ca 0.36 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1egr h ASP 19 Cb 0.59 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.20 1egr h ASP 19 CO -0.70 -0.28 -0.37 0.25 -1.72 0.00 0.00 179.24 176.42 1egr h LEU 20 N -0.81 -1.22 -1.38 1.55 5.85 0.88 0.16 115.31 120.33 1egr h LEU 20 Ca -0.07 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1egr h LEU 20 Cb 0.57 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1egr h LEU 20 CO 0.11 -0.36 0.45 0.00 -0.34 0.00 0.00 178.44 178.30 1egr h ALA 21 N 0.50 1.64 -0.57 1.25 0.00 -0.32 -1.80 119.26 119.96 1egr h ALA 21 Ca 0.14 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1egr h ALA 21 Cb 0.57 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1egr h ALA 21 CO -0.51 0.29 0.07 1.49 0.00 0.00 0.00 179.25 180.59 1egr h GLU 22 N 0.80 0.18 -0.51 0.00 4.81 0.25 -1.44 114.58 118.66 1egr h GLU 22 Ca 0.27 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1egr h GLU 22 Cb 0.09 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 1egr h GLU 22 CO -0.08 0.12 -0.56 -0.22 -0.73 0.00 0.00 179.01 177.55 1egr h LYS 23 N 0.19 -0.31 -0.66 1.92 3.11 -0.71 0.30 116.57 120.42 1egr h LYS 23 Ca 0.30 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 58.28 1egr h LYS 23 Cb 0.46 0.07 -0.12 0.00 -1.00 0.00 0.00 32.23 31.63 1egr h LYS 23 CO -0.43 -0.20 -0.27 -0.07 -2.81 0.00 0.00 179.45 175.66 1egr h LEU 24 N -0.32 -0.96 -1.27 5.20 3.38 -1.43 0.53 115.31 120.44 1egr h LEU 24 Ca 0.09 0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.44 1egr h LEU 24 Cb 0.55 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 1egr h LEU 24 CO -0.65 -0.28 0.59 -1.28 0.09 0.00 0.00 178.44 176.91 1egr h SER 25 N -0.09 0.65 -0.90 -0.43 0.87 0.41 0.14 113.55 114.20 1egr h SER 25 Ca 0.28 0.05 -0.58 0.00 -1.23 0.00 0.00 61.79 60.31 1egr h SER 25 Cb 0.54 -0.08 -0.30 0.00 -0.44 0.00 0.00 62.40 62.13 1egr h SER 25 CO -0.71 0.31 0.49 -3.20 -0.53 0.00 0.00 176.83 173.19 1egr n ASN 26 N -4.58 6.02 0.01 6.23 5.15 0.17 -4.26 115.26 124.01 1egr n ASN 26 Ca 0.18 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.41 1egr n ASN 26 Cb 0.51 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1egr n ASN 26 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1egr n GLU 27 N -0.95 0.00 -4.24 1.20 2.13 0.32 -4.96 120.64 114.14 1egr n GLU 27 Ca 0.57 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.13 1egr n GLU 27 Cb 0.94 -0.25 -0.06 0.00 0.27 0.00 0.00 31.44 32.34 1egr n GLU 27 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1egr n ARG 28 N -2.85 0.79 -0.62 5.31 1.85 -0.24 -5.07 116.66 115.83 1egr n ARG 28 Ca 0.00 -3.15 0.02 0.00 -1.00 0.00 0.00 57.85 53.72 1egr n ARG 28 Cb 0.21 1.22 0.20 0.00 -1.05 0.00 0.00 32.46 33.05 1egr n ARG 28 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1egr n ASP 29 N -1.41 2.27 0.00 2.89 5.75 -1.26 -4.56 116.55 120.23 1egr n ASP 29 Ca -0.12 -3.69 0.00 0.00 -0.01 0.00 0.00 54.79 50.96 1egr n ASP 29 Cb 0.55 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1egr n ASP 29 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1egr n ASP 30 N -1.11 0.16 -4.51 -1.12 5.68 -1.26 -5.03 116.55 109.35 1egr n ASP 30 Ca 0.25 -0.57 -0.34 0.00 -0.50 0.00 0.00 54.79 53.63 1egr n ASP 30 Cb 0.85 0.83 -0.12 0.00 -1.14 0.00 0.00 41.12 41.54 1egr n ASP 30 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 1egr s PHE 31 N -0.83 3.04 0.04 2.11 2.19 -1.26 -4.56 117.98 118.71 1egr s PHE 31 Ca 0.00 -0.26 0.01 0.00 0.33 0.00 0.00 56.93 57.00 1egr s PHE 31 Cb 0.00 -1.96 -0.03 0.00 -1.31 0.00 0.00 43.02 39.72 1egr s PHE 31 CO 0.00 -0.01 -0.05 -0.65 1.83 0.00 0.00 175.22 176.34 1egr s GLN 32 N 0.33 0.50 0.20 10.12 1.11 -0.53 -3.97 119.66 127.41 1egr s GLN 32 Ca -0.03 -0.86 0.10 0.00 0.01 0.00 0.00 55.36 54.57 1egr s GLN 32 Cb -0.14 -0.03 -0.04 0.00 -1.01 0.00 0.00 33.01 31.79 1egr s GLN 32 CO 0.03 -0.03 -0.20 1.52 0.01 0.00 0.00 175.29 176.62 1egr s TYR 33 N -2.17 2.02 -0.13 0.91 1.13 -1.26 -1.54 117.35 116.31 1egr s TYR 33 Ca -0.06 -0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 55.17 1egr s TYR 33 Cb -0.05 -0.98 0.03 0.00 -1.10 0.00 0.00 41.96 39.87 1egr s TYR 33 CO -0.03 0.45 -0.06 -0.65 -2.51 0.00 0.00 175.55 172.75 1egr s GLN 34 N -2.97 1.38 -0.32 -3.49 1.11 0.12 -4.87 119.66 110.62 1egr s GLN 34 Ca 0.20 -0.31 -0.08 0.00 0.01 0.00 0.00 55.36 55.19 1egr s GLN 34 Cb -0.06 -1.68 0.02 0.00 -1.01 0.00 0.00 33.01 30.29 1egr s GLN 34 CO 0.09 -0.33 0.12 -0.47 0.01 0.00 0.00 175.29 174.71 1egr s TYR 35 N 1.72 3.20 0.20 0.91 5.04 -1.26 -0.32 117.35 126.82 1egr s TYR 35 Ca 0.03 -1.06 0.10 0.00 -2.44 0.00 0.00 57.07 53.70 1egr s TYR 35 Cb -0.13 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.82 1egr s TYR 35 CO -0.08 -0.62 -0.19 0.08 -1.34 0.00 0.00 175.55 173.40 1egr s VAL 36 N 1.50 2.03 -0.12 3.14 1.01 -0.75 -5.00 120.40 122.21 1egr s VAL 36 Ca 0.01 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.93 1egr s VAL 36 Cb -0.18 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1egr s VAL 36 CO 0.04 -0.33 -0.13 -0.62 0.00 0.00 0.00 175.10 174.06 1egr s ASP 37 N -2.90 4.02 0.32 3.32 -1.08 -1.26 -2.61 116.67 116.49 1egr s ASP 37 Ca 0.20 -0.31 0.11 0.00 -0.52 0.00 0.00 52.55 52.03 1egr s ASP 37 Cb -0.05 -1.50 0.93 0.00 -1.46 0.00 0.00 42.92 40.83 1egr s ASP 37 CO 0.09 0.19 1.72 0.16 0.52 0.00 0.00 175.17 177.85 1egr h ILE 38 N 5.25 0.49 0.09 4.11 3.07 -1.78 -2.18 117.51 126.55 1egr h ILE 38 Ca -0.29 -0.18 -0.24 0.00 1.55 0.00 0.00 64.86 65.70 1egr h ILE 38 Cb 1.20 -0.09 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 1egr h ILE 38 CO 0.55 0.10 -1.26 -0.09 -1.05 0.00 0.00 178.15 176.39 1egr h ARG 39 N 0.53 0.19 -0.77 0.16 1.12 -1.86 0.20 114.38 113.94 1egr h ARG 39 Ca 0.66 -0.32 0.10 0.00 -1.11 0.00 0.00 59.98 59.31 1egr h ARG 39 Cb 1.32 0.12 -0.11 0.00 -0.01 0.00 0.00 29.97 31.29 1egr h ARG 39 CO -0.50 1.15 -0.37 0.00 -3.11 0.00 0.00 179.97 177.14 1egr n ALA 40 N -2.99 -0.28 -1.77 2.80 0.00 -0.86 0.22 120.51 117.63 1egr n ALA 40 Ca -0.25 0.71 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 1egr n ALA 40 Cb 0.83 -0.23 0.05 0.00 0.00 0.00 0.00 19.45 20.10 1egr n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1egr n GLU 41 N -5.05 2.94 -2.93 0.00 4.71 -1.00 -4.96 120.64 114.35 1egr n GLU 41 Ca 0.05 -3.65 -0.05 0.00 -0.01 0.00 0.00 57.16 53.50 1egr n GLU 41 Cb 0.26 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.41 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1egr n GLY 42 N -0.71 -0.22 3.85 0.62 0.00 0.13 -4.91 105.19 103.96 1egr n GLY 42 Ca 0.54 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 1egr n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1egr s ILE 43 N -2.65 5.32 0.42 -0.61 1.01 0.68 -5.02 121.20 120.35 1egr s ILE 43 Ca 0.02 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1egr s ILE 43 Cb -0.01 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1egr s ILE 43 CO 0.16 0.61 0.45 0.42 0.00 0.00 0.00 174.94 176.57 1egr s THR 44 N -1.02 2.78 0.21 2.92 -4.23 -1.26 -4.72 115.64 110.32 1egr s THR 44 Ca 0.15 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1egr s THR 44 Cb -0.12 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1egr s THR 44 CO 0.04 -0.00 1.54 0.11 -0.54 0.00 0.00 174.62 175.78 1egr h LYS 45 N 0.89 0.48 0.35 3.99 1.79 -1.99 -2.39 116.57 119.70 1egr h LYS 45 Ca -0.41 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 57.76 1egr h LYS 45 Cb 1.27 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 1egr h LYS 45 CO 0.53 0.89 -0.27 0.93 -1.08 0.00 0.00 179.45 180.44 1egr h GLU 46 N 0.38 -0.61 -0.65 3.15 5.08 -1.99 0.27 114.58 120.22 1egr h GLU 46 Ca 0.01 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1egr h GLU 46 Cb 1.04 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1egr h GLU 46 CO 0.09 -0.40 -0.00 0.22 -1.00 0.00 0.00 179.01 177.92 1egr h ASP 47 N -0.63 -0.30 0.02 1.42 3.58 -1.95 0.24 116.42 118.80 1egr h ASP 47 Ca -0.03 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1egr h ASP 47 Cb 0.55 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1egr h ASP 47 CO -0.01 -0.13 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.15 1egr h LEU 48 N 0.11 -0.02 -0.66 2.28 3.38 -1.07 -2.26 115.31 117.07 1egr h LEU 48 Ca 0.34 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1egr h LEU 48 Cb 0.56 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1egr h LEU 48 CO -0.56 0.23 0.23 -0.61 0.09 0.00 0.00 178.44 177.82 1egr h GLN 49 N -0.27 0.38 -0.11 1.13 4.15 0.48 0.55 115.11 121.42 1egr h GLN 49 Ca -0.00 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1egr h GLN 49 Cb 0.25 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1egr h GLN 49 CO 0.00 0.25 0.19 1.96 -1.93 0.00 0.00 178.83 179.31 1egr h GLN 50 N 0.39 0.00 0.01 1.69 1.08 -0.38 -0.07 115.11 117.83 1egr h GLN 50 Ca 0.35 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.20 1egr h GLN 50 Cb 0.49 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.86 1egr h GLN 50 CO -0.37 0.00 -2.21 1.63 -0.95 0.00 0.00 178.83 176.93 1egr n LYS 51 N -3.47 0.68 -0.00 1.46 5.02 0.16 -4.51 118.16 117.49 1egr n LYS 51 Ca 0.00 0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1egr n LYS 51 Cb 0.29 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1egr n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1egr h ALA 52 N 0.73 0.09 0.00 7.82 0.00 0.20 -3.45 119.26 124.66 1egr h ALA 52 Ca -0.48 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1egr h ALA 52 Cb 2.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1egr h ALA 52 CO 0.02 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1egr n GLY 53 N 1.00 3.18 3.95 0.00 0.00 -0.11 -4.88 105.19 108.33 1egr n GLY 53 Ca -0.10 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1egr n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1egr s LYS 54 N 0.00 2.82 0.79 1.61 2.20 -1.26 -4.97 119.74 120.92 1egr s LYS 54 Ca 0.00 -0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 54.98 1egr s LYS 54 Cb 0.00 -2.46 -0.06 0.00 -1.51 0.00 0.00 37.83 33.81 1egr s LYS 54 CO 0.00 -0.55 0.20 -0.35 -0.36 0.00 0.00 175.35 174.29 1egr n PRO 55 N -2.31 0.09 -4.37 4.03 -0.04 -1.26 -4.77 135.00 126.37 1egr n PRO 55 Ca 0.04 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1egr n PRO 55 Cb 0.58 -1.60 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1egr n PRO 55 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1egr s VAL 56 N -2.04 2.45 -0.01 0.52 -7.23 -1.26 -5.07 120.40 107.76 1egr s VAL 56 Ca 0.58 -1.67 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1egr s VAL 56 Cb -0.31 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.53 1egr s VAL 56 CO 0.65 0.10 -0.01 -0.33 -0.31 0.00 0.00 175.10 175.20 1egr h GLU 57 N 3.85 0.00 -4.39 4.82 3.07 -2.02 -3.50 114.58 116.41 1egr h GLU 57 Ca -0.51 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.09 1egr h GLU 57 Cb 1.17 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.96 1egr h GLU 57 CO 0.41 0.00 -0.41 0.99 -1.40 0.00 0.00 179.01 178.60 1egr s THR 58 N -1.05 0.00 0.23 1.13 2.01 -1.26 -5.17 115.64 111.53 1egr s THR 58 Ca -0.01 -1.81 0.05 0.00 0.31 0.00 0.00 61.69 60.24 1egr s THR 58 Cb 0.00 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1egr s THR 58 CO 0.01 0.00 0.29 0.68 -0.69 0.00 0.00 174.62 174.91 1egr s VAL 59 N -3.76 5.00 0.16 3.82 -7.23 -1.26 -4.55 120.40 112.57 1egr s VAL 59 Ca 0.35 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 1egr s VAL 59 Cb 0.03 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 33.21 1egr s VAL 59 CO 0.16 -0.30 0.49 -2.16 -0.31 0.00 0.00 175.10 172.99 1egr s PRO 60 N -3.81 3.82 0.04 4.82 0.05 -1.26 -4.93 135.00 133.73 1egr s PRO 60 Ca 0.34 0.27 0.03 0.00 0.05 0.00 0.00 61.00 61.69 1egr s PRO 60 Cb -0.09 -2.84 -0.04 0.00 0.05 0.00 0.00 34.50 31.58 1egr s PRO 60 CO 0.28 0.44 0.01 -0.65 0.05 0.00 0.00 177.00 177.13 1egr s GLN 61 N -2.32 2.72 -0.00 4.56 -0.21 -0.41 -4.15 119.66 119.85 1egr s GLN 61 Ca 0.40 -0.70 0.08 0.00 0.02 0.00 0.00 55.36 55.16 1egr s GLN 61 Cb -0.13 -2.63 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 1egr s GLN 61 CO 0.20 0.58 -0.25 0.42 -2.12 0.00 0.00 175.29 174.13 1egr s ILE 62 N -1.22 1.95 0.11 1.08 1.01 0.12 -0.54 121.20 123.72 1egr s ILE 62 Ca 0.23 -1.11 0.06 0.00 0.00 0.00 0.00 60.65 59.83 1egr s ILE 62 Cb -0.12 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1egr s ILE 62 CO 0.15 0.49 -0.15 -0.36 0.00 0.00 0.00 174.94 175.07 1egr s PHE 63 N -0.63 1.46 -0.32 3.97 0.40 0.08 -0.75 117.98 122.19 1egr s PHE 63 Ca 0.10 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1egr s PHE 63 Cb -0.09 -0.77 0.09 0.00 0.51 0.00 0.00 43.02 42.75 1egr s PHE 63 CO -0.00 0.16 0.03 0.08 0.70 0.00 0.00 175.22 176.18 1egr s VAL 64 N -1.85 1.99 0.00 -0.44 1.01 0.26 -0.79 120.40 120.57 1egr s VAL 64 Ca 0.07 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1egr s VAL 64 Cb -0.07 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1egr s VAL 64 CO 0.03 -0.50 0.00 0.47 0.00 0.00 0.00 175.10 175.10 1egr n ASP 65 N 4.40 0.00 0.00 3.32 8.00 -0.48 0.09 116.55 131.87 1egr n ASP 65 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1egr n ASP 65 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1egr n GLN 66 N 0.00 3.22 -1.98 -1.24 3.00 -1.26 -5.01 117.38 114.10 1egr n GLN 66 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1egr n GLN 66 Cb 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 30.24 29.69 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1egr s GLN 67 N -1.06 2.35 -0.04 -1.09 -0.21 0.11 -5.08 119.66 114.64 1egr s GLN 67 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.59 1egr s GLN 67 Cb 0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 1egr s GLN 67 CO 0.00 -1.29 -0.21 -1.58 -2.12 0.00 0.00 175.29 170.09 1egr s HIS 68 N -3.41 2.00 -0.14 0.91 5.65 -1.26 -0.58 115.29 118.47 1egr s HIS 68 Ca 0.60 -0.55 0.10 0.00 0.25 0.00 0.00 55.06 55.46 1egr s HIS 68 Cb -0.11 -1.32 -0.15 0.00 -1.18 0.00 0.00 32.58 29.82 1egr s HIS 68 CO 0.49 -0.16 0.01 -0.89 -0.65 0.00 0.00 174.74 173.54 1egr n ILE 69 N 2.96 0.91 0.00 0.89 2.08 0.07 -4.91 119.36 121.36 1egr n ILE 69 Ca -0.17 -0.52 0.00 0.00 0.56 0.00 0.00 62.75 62.62 1egr n ILE 69 Cb 0.53 -0.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.68 1egr n ILE 69 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1egr n GLY 70 N 2.29 0.41 1.08 7.39 0.00 -1.18 -4.62 105.19 110.55 1egr n GLY 70 Ca -0.23 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1egr n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1egr n GLY 71 N 0.00 3.22 0.24 -0.02 0.00 -1.26 -0.70 105.19 106.67 1egr n GLY 71 Ca 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1egr n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1egr h TYR 72 N 0.68 -0.52 -0.91 1.61 3.20 -1.94 -1.15 116.97 117.94 1egr h TYR 72 Ca -0.11 0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.88 1egr h TYR 72 Cb 0.36 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.73 1egr h TYR 72 CO 0.00 -0.28 -0.54 1.79 -1.64 0.00 0.00 178.16 177.49 1egr h THR 73 N -0.35 0.01 0.39 1.81 1.35 -1.96 0.33 112.91 114.48 1egr h THR 73 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1egr h THR 73 Cb 0.39 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.80 1egr h THR 73 CO -0.14 0.00 -0.41 0.44 -0.25 0.00 0.00 175.52 175.16 1egr h ASP 74 N -0.05 -1.12 -0.62 5.36 3.32 -1.84 -1.71 116.42 119.76 1egr h ASP 74 Ca 0.19 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.45 1egr h ASP 74 Cb 0.47 0.38 -0.12 0.00 0.22 0.00 0.00 39.33 40.28 1egr h ASP 74 CO -0.90 -0.56 -0.29 0.15 -1.72 0.00 0.00 179.24 175.93 1egr h PHE 75 N -0.82 -0.77 0.03 4.55 3.57 0.19 0.54 116.94 124.22 1egr h PHE 75 Ca -0.03 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1egr h PHE 75 Cb 0.74 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 1egr h PHE 75 CO -0.23 -0.36 -0.35 0.00 -2.23 0.00 0.00 178.31 175.14 1egr h ALA 76 N 1.20 -0.55 0.40 2.41 0.00 -0.03 0.14 119.26 122.83 1egr h ALA 76 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1egr h ALA 76 Cb 0.54 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1egr h ALA 76 CO -0.69 -0.88 -0.47 0.00 0.00 0.00 0.00 179.25 177.21 1egr h ALA 77 N 0.13 -1.01 -0.86 0.00 0.00 -0.28 0.11 119.26 117.34 1egr h ALA 77 Ca 0.05 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1egr h ALA 77 Cb 0.60 0.70 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1egr h ALA 77 CO -0.26 -1.12 -0.35 2.35 0.00 0.00 0.00 179.25 179.87 1egr h TRP 78 N -0.90 -0.97 0.63 0.00 7.01 0.46 0.12 115.95 122.30 1egr h TRP 78 Ca -0.04 0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 1egr h TRP 78 Cb 0.81 0.55 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 1egr h TRP 78 CO -0.28 -0.40 -0.50 0.28 -2.79 0.00 0.00 178.44 174.75 1egr h VAL 79 N -0.05 0.00 -0.62 2.65 2.07 -0.24 -2.85 116.25 117.21 1egr h VAL 79 Ca 0.32 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.94 1egr h VAL 79 Cb 0.59 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 1egr h VAL 79 CO -0.89 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 176.79 1egr h LYS 80 N -1.10 -0.18 -0.96 1.57 3.11 0.18 0.17 116.57 119.36 1egr h LYS 80 Ca -0.08 0.01 -0.30 0.00 -2.81 0.00 0.00 60.65 57.47 1egr h LYS 80 Cb 0.92 0.04 -0.18 0.00 -1.00 0.00 0.00 32.23 32.01 1egr h LYS 80 CO 0.01 -0.12 0.38 0.39 -2.81 0.00 0.00 179.45 177.30 1egr n GLU 81 N -5.42 2.09 0.00 1.90 4.71 -0.43 -0.74 120.64 122.75 1egr n GLU 81 Ca 0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 57.16 55.14 1egr n GLU 81 Cb 0.35 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.96 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1egr n ASN 82 N -0.46 0.00 -0.03 1.62 3.02 -0.45 -4.82 115.26 114.13 1egr n ASN 82 Ca 0.37 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1egr n ASN 82 Cb 1.24 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.33 1egr n ASN 82 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1egr n LEU 83 N -1.17 0.00 -0.00 3.41 4.77 0.48 -4.83 117.00 119.66 1egr n LEU 83 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1egr n LEU 83 Cb 0.00 0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1egr n LEU 83 CO 0.00 0.14 -0.00 -0.78 -1.33 0.00 0.00 177.39 175.42 1egr h ASP 84 N 0.00 0.00 0.00 -1.43 3.58 -1.37 -3.50 116.42 113.70 1egr h ASP 84 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1egr h ASP 84 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1egr h ASP 84 CO 0.01 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.38