#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 3.64 -0.23 0.03 0.74 -1.26 -1.78 119.66 120.80 1egr s GLN 2 Ca 0.00 0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.63 1egr s GLN 2 Cb 0.00 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1egr s GLN 2 CO 0.00 -1.12 0.09 0.99 -0.55 0.00 0.00 175.29 174.70 1egr s THR 3 N 3.64 4.67 -0.11 -0.34 2.01 -0.23 -0.48 115.64 124.79 1egr s THR 3 Ca 0.37 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1egr s THR 3 Cb -0.11 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 1egr s THR 3 CO 0.24 0.36 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.67 1egr s VAL 4 N 1.22 2.71 -0.15 3.82 1.01 -0.03 0.29 120.40 129.27 1egr s VAL 4 Ca 0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1egr s VAL 4 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1egr s VAL 4 CO 0.04 0.54 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 1egr s ILE 5 N 0.25 4.40 -0.29 2.22 1.09 0.25 -0.66 121.20 128.45 1egr s ILE 5 Ca -0.12 -0.18 0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1egr s ILE 5 Cb -0.16 -2.94 0.06 0.00 -1.06 0.00 0.00 42.46 38.36 1egr s ILE 5 CO 0.06 0.50 -0.03 -0.36 -0.10 0.00 0.00 174.94 175.01 1egr s PHE 6 N 0.12 3.33 0.00 3.97 0.08 0.22 -0.51 117.98 125.18 1egr s PHE 6 Ca 0.02 -2.20 0.00 0.00 0.12 0.00 0.00 56.93 54.87 1egr s PHE 6 Cb -0.13 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1egr s PHE 6 CO 0.02 -0.86 0.00 0.41 -0.10 0.00 0.00 175.22 174.69 1egr n GLY 7 N 4.50 4.67 0.00 4.36 0.00 -0.81 -1.52 105.19 116.39 1egr n GLY 7 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1egr n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1egr n ARG 8 N 0.00 3.27 -4.25 1.61 0.63 -1.26 -0.31 116.66 116.35 1egr n ARG 8 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1egr n ARG 8 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1egr n ARG 8 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1egr s SER 9 N 0.08 2.07 0.00 6.15 1.04 -1.26 -4.86 113.70 116.92 1egr s SER 9 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1egr s SER 9 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1egr s SER 9 CO 0.00 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1egr n GLY 10 N 0.53 3.22 3.74 7.32 0.00 -1.26 -5.08 105.19 113.66 1egr n GLY 10 Ca -0.15 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 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 1.00 3.44 0.00 0.00 -0.04 -1.26 -4.46 135.00 133.68 1egr n PRO 12 Ca -0.12 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1egr n PRO 12 Cb 0.52 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1egr n PRO 12 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1egr n TYR 13 N 4.46 0.00 0.13 0.54 9.36 -1.26 -4.64 117.16 125.76 1egr n TYR 13 Ca 0.60 0.00 0.19 0.00 3.32 0.00 0.00 57.90 62.02 1egr n TYR 13 Cb 0.32 0.00 0.76 0.00 -0.63 0.00 0.00 39.34 39.79 1egr n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1egr h VAL 15 N 0.00 0.10 0.01 0.00 2.07 -1.82 0.41 116.25 117.02 1egr h VAL 15 Ca 0.16 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1egr h VAL 15 Cb 0.95 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1egr h VAL 15 CO -0.00 0.02 -0.00 -0.09 0.02 0.00 0.00 177.57 177.52 1egr h ARG 16 N 0.11 -0.01 -0.89 1.57 9.65 -1.28 0.26 114.38 123.78 1egr h ARG 16 Ca 0.81 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.88 1egr h ARG 16 Cb 2.06 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 30.57 1egr h ARG 16 CO -0.71 0.77 0.58 0.00 2.80 0.00 0.00 179.97 183.41 1egr h ALA 17 N 0.18 2.08 0.53 2.80 0.00 -0.87 0.31 119.26 124.29 1egr h ALA 17 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1egr h ALA 17 Cb 0.78 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1egr h ALA 17 CO 0.00 -0.36 -0.25 -0.22 0.00 0.00 0.00 179.25 178.42 1egr h LYS 18 N 0.49 -0.69 -0.93 0.00 3.64 -0.23 0.21 116.57 119.07 1egr h LYS 18 Ca 0.46 0.05 0.27 0.00 -1.27 0.00 0.00 60.65 60.16 1egr h LYS 18 Cb 1.03 0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 32.86 1egr h LYS 18 CO -0.19 -0.40 0.35 0.22 -2.27 0.00 0.00 179.45 177.16 1egr h ASP 19 N -1.09 0.17 0.56 4.20 3.58 0.49 0.48 116.42 124.81 1egr h ASP 19 Ca -0.07 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1egr h ASP 19 Cb 0.61 0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.89 1egr h ASP 19 CO 0.12 -0.16 -0.27 0.25 -2.88 0.00 0.00 179.24 176.31 1egr h LEU 20 N 0.24 -0.63 -0.83 2.28 5.85 -0.30 0.73 115.31 122.66 1egr h LEU 20 Ca 0.62 0.02 0.21 0.00 0.84 0.00 0.00 57.88 59.57 1egr h LEU 20 Cb 1.32 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 42.38 1egr h LEU 20 CO -0.65 -0.41 0.13 0.00 -0.34 0.00 0.00 178.44 177.17 1egr h ALA 21 N -1.57 1.06 -0.41 1.25 0.00 0.62 0.46 119.26 120.66 1egr h ALA 21 Ca -0.08 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1egr h ALA 21 Cb 0.57 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1egr h ALA 21 CO 0.13 -0.44 0.10 1.49 0.00 0.00 0.00 179.25 180.52 1egr h GLU 22 N 0.16 0.66 0.28 0.00 4.81 0.02 0.27 114.58 120.79 1egr h GLU 22 Ca 0.49 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1egr h GLU 22 Cb 0.94 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1egr h GLU 22 CO -0.66 0.68 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.82 1egr h LYS 23 N 0.53 -0.54 -0.64 1.92 3.64 0.47 -0.23 116.57 121.73 1egr h LYS 23 Ca 0.13 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.65 1egr h LYS 23 Cb 0.31 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 1egr h LYS 23 CO 0.00 -0.36 0.23 -0.07 -2.27 0.00 0.00 179.45 176.99 1egr h LEU 24 N -0.56 0.22 -2.10 5.20 3.38 -0.37 0.71 115.31 121.80 1egr h LEU 24 Ca -0.01 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1egr h LEU 24 Cb 0.51 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1egr h LEU 24 CO -0.04 0.12 0.32 -1.28 0.09 0.00 0.00 178.44 177.65 1egr h SER 25 N 0.41 0.00 -0.53 -0.43 0.87 0.93 0.39 113.55 115.19 1egr h SER 25 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1egr h SER 25 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1egr h SER 25 CO -0.33 0.00 0.00 -3.20 -0.53 0.00 0.00 176.83 172.77 1egr n ASN 26 N -3.78 3.42 -0.01 6.23 5.15 0.23 -4.41 115.26 122.09 1egr n ASN 26 Ca 0.04 -2.00 -0.01 0.00 -0.60 0.00 0.00 54.58 52.02 1egr n ASN 26 Cb 0.47 -0.35 -0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1egr n ASN 26 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1egr n GLU 27 N 1.07 2.64 -4.19 1.20 1.02 0.85 -5.04 120.64 118.19 1egr n GLU 27 Ca 0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.05 1egr n GLU 27 Cb 0.52 -1.06 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 1egr n GLU 27 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1egr s ARG 28 N -2.06 2.43 0.12 3.49 3.00 0.10 -5.03 118.95 121.00 1egr s ARG 28 Ca -0.02 -1.05 0.14 0.00 0.00 0.00 0.00 55.73 54.81 1egr s ARG 28 Cb 0.01 -2.39 -0.10 0.00 0.00 0.00 0.00 34.95 32.47 1egr s ARG 28 CO 0.09 0.47 1.05 -0.44 0.00 0.00 0.00 175.30 176.48 1egr h ASP 29 N 2.87 0.00 -0.60 0.23 5.19 -1.88 -3.27 116.42 118.96 1egr h ASP 29 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1egr h ASP 29 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1egr h ASP 29 CO 0.58 0.66 0.00 -0.90 -3.12 0.00 0.00 179.24 176.46 1egr n ASP 30 N -3.07 4.12 -4.35 6.45 5.68 -1.26 -4.91 116.55 119.21 1egr n ASP 30 Ca -0.06 -2.30 -0.34 0.00 -0.50 0.00 0.00 54.79 51.59 1egr n ASP 30 Cb 0.85 -0.52 -0.14 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.65 2.91 0.05 2.11 2.19 -1.23 0.14 117.98 122.50 1egr s PHE 31 Ca 0.45 -0.77 -0.04 0.00 0.33 0.00 0.00 56.93 56.90 1egr s PHE 31 Cb 0.28 -1.99 -0.02 0.00 -1.31 0.00 0.00 43.02 39.98 1egr s PHE 31 CO 0.24 -0.37 0.07 -0.65 1.83 0.00 0.00 175.22 176.34 1egr s GLN 32 N 0.93 0.61 0.22 10.12 -0.21 -0.73 -4.20 119.66 126.40 1egr s GLN 32 Ca -0.01 -0.89 -0.03 0.00 0.02 0.00 0.00 55.36 54.45 1egr s GLN 32 Cb -0.15 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 1egr s GLN 32 CO 0.00 -0.15 0.21 1.52 -2.12 0.00 0.00 175.29 174.76 1egr s TYR 33 N -3.04 1.06 0.01 0.91 1.13 -1.26 -1.07 117.35 115.10 1egr s TYR 33 Ca -0.01 -1.28 0.01 0.00 -1.41 0.00 0.00 57.07 54.37 1egr s TYR 33 Cb 0.01 -0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 40.44 1egr s TYR 33 CO -0.07 -0.73 -0.04 -0.65 -2.51 0.00 0.00 175.55 171.55 1egr s GLN 34 N -4.05 0.31 -0.14 -3.49 -0.21 0.15 -4.88 119.66 107.34 1egr s GLN 34 Ca 0.36 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.36 1egr s GLN 34 Cb 0.05 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.95 1egr s GLN 34 CO 0.13 0.02 -0.18 -0.47 -2.12 0.00 0.00 175.29 172.67 1egr s TYR 35 N -0.77 2.39 -0.04 0.91 6.14 -1.26 -0.59 117.35 124.13 1egr s TYR 35 Ca -0.06 -1.27 0.07 0.00 0.64 0.00 0.00 57.07 56.44 1egr s TYR 35 Cb -0.06 -1.68 -0.01 0.00 0.42 0.00 0.00 41.96 40.63 1egr s TYR 35 CO -0.00 -0.63 -0.25 0.08 0.64 0.00 0.00 175.55 175.39 1egr s VAL 36 N 1.13 1.98 -0.19 3.14 1.01 0.33 -4.95 120.40 122.86 1egr s VAL 36 Ca -0.01 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1egr s VAL 36 Cb -0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1egr s VAL 36 CO -0.06 0.56 0.10 -0.62 0.00 0.00 0.00 175.10 175.07 1egr s ASP 37 N -0.34 5.94 0.55 3.32 2.15 -1.26 -1.93 116.67 125.10 1egr s ASP 37 Ca 0.02 0.16 0.29 0.00 0.43 0.00 0.00 52.55 53.45 1egr s ASP 37 Cb -0.12 -2.03 1.46 0.00 -0.30 0.00 0.00 42.92 41.93 1egr s ASP 37 CO 0.02 0.17 1.93 0.16 -0.17 0.00 0.00 175.17 177.27 1egr h ILE 38 N 4.77 0.56 0.23 4.11 -0.00 -1.00 0.25 117.51 126.43 1egr h ILE 38 Ca -0.39 0.00 -0.32 0.00 -0.00 0.00 0.00 64.86 64.15 1egr h ILE 38 Cb 1.16 0.63 0.04 0.00 -0.00 0.00 0.00 36.82 38.64 1egr h ILE 38 CO 0.73 0.00 -1.39 -0.09 -0.00 0.00 0.00 178.15 177.40 1egr h ARG 39 N 0.00 0.53 -0.96 0.16 1.12 -1.88 0.22 114.38 113.56 1egr h ARG 39 Ca 0.32 -0.88 0.15 0.00 -1.11 0.00 0.00 59.98 58.45 1egr h ARG 39 Cb 1.36 0.33 -0.15 0.00 -0.01 0.00 0.00 29.97 31.49 1egr h ARG 39 CO -0.00 1.42 -0.38 0.00 -3.11 0.00 0.00 179.97 177.90 1egr n ALA 40 N -2.71 -0.12 -1.78 2.80 0.00 0.86 0.22 120.51 119.78 1egr n ALA 40 Ca -0.16 0.95 -0.30 0.00 0.00 0.00 0.00 53.44 53.93 1egr n ALA 40 Cb 1.07 -0.42 0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -5.41 3.18 -2.98 0.00 1.02 -1.17 -4.98 120.64 110.31 1egr n GLU 41 Ca 0.10 -3.81 -0.00 0.00 -0.02 0.00 0.00 57.16 53.43 1egr n GLU 41 Cb 0.38 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 1egr n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1egr n GLY 42 N -0.76 -0.01 3.95 0.62 0.00 0.13 -4.88 105.19 104.24 1egr n GLY 42 Ca 0.52 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.15 4.42 0.53 -0.61 1.01 0.74 -5.01 121.20 119.13 1egr s ILE 43 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1egr s ILE 43 Cb -0.00 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1egr s ILE 43 CO 0.00 -0.44 0.27 0.42 0.00 0.00 0.00 174.94 175.20 1egr s THR 44 N -2.48 1.51 -0.06 2.92 -4.23 -1.26 -4.84 115.64 107.19 1egr s THR 44 Ca 0.45 -1.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1egr s THR 44 Cb -0.10 -2.16 -0.18 0.00 1.34 0.00 0.00 72.50 71.40 1egr s THR 44 CO 0.38 0.00 0.92 0.11 -0.54 0.00 0.00 174.62 175.48 1egr h LYS 45 N 0.95 -0.12 -0.79 3.99 1.79 -1.99 -3.02 116.57 117.38 1egr h LYS 45 Ca -0.39 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.23 1egr h LYS 45 Cb 1.31 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 31.84 1egr h LYS 45 CO 0.63 0.40 -0.31 0.93 -1.08 0.00 0.00 179.45 180.02 1egr h GLU 46 N -0.80 -0.06 0.01 3.15 3.07 -1.98 0.30 114.58 118.27 1egr h GLU 46 Ca -0.01 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.88 1egr h GLU 46 Cb 0.58 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1egr h GLU 46 CO 0.02 -0.04 -0.42 0.22 -1.40 0.00 0.00 179.01 177.39 1egr h ASP 47 N -0.06 -1.27 -0.59 1.42 1.82 -1.98 -1.87 116.42 113.88 1egr h ASP 47 Ca 0.32 0.15 0.10 0.00 -0.39 0.00 0.00 57.03 57.21 1egr h ASP 47 Cb 0.58 0.49 -0.07 0.00 0.68 0.00 0.00 39.33 41.02 1egr h ASP 47 CO -0.83 -0.46 0.20 -0.07 -1.61 0.00 0.00 179.24 176.47 1egr h LEU 48 N -0.58 0.17 -0.47 2.28 3.38 -1.02 -1.87 115.31 117.18 1egr h LEU 48 Ca 0.04 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1egr h LEU 48 Cb 0.66 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1egr h LEU 48 CO -0.31 0.10 -0.35 -0.61 0.09 0.00 0.00 178.44 177.37 1egr h GLN 49 N 0.37 -0.22 -1.06 1.13 4.15 0.29 0.45 115.11 120.21 1egr h GLN 49 Ca 0.30 0.02 0.31 0.00 0.77 0.00 0.00 58.65 60.04 1egr h GLN 49 Cb 0.39 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1egr h GLN 49 CO -0.32 -0.15 0.77 0.37 -1.93 0.00 0.00 178.83 177.57 1egr h GLN 50 N -0.23 0.00 0.06 1.69 5.75 -0.63 0.14 115.11 121.88 1egr h GLN 50 Ca 0.19 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.55 1egr h GLN 50 Cb 0.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1egr h GLN 50 CO -0.60 0.00 -0.67 0.87 -2.65 0.00 0.00 178.83 175.78 1egr h LYS 51 N 0.00 0.13 -0.02 1.69 6.56 -0.06 -3.40 116.57 121.48 1egr h LYS 51 Ca 0.50 -0.22 -0.10 0.00 -1.06 0.00 0.00 60.65 59.77 1egr h LYS 51 Cb 2.04 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 33.79 1egr h LYS 51 CO -0.01 1.10 -0.40 0.00 -2.06 0.00 0.00 179.45 178.09 1egr h ALA 52 N -0.06 0.07 0.00 3.86 0.00 0.20 -3.43 119.26 119.90 1egr h ALA 52 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1egr h ALA 52 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1egr h ALA 52 CO 0.02 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1egr n GLY 53 N 0.98 3.12 3.92 0.00 0.00 0.37 -4.82 105.19 108.76 1egr n GLY 53 Ca -0.10 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1egr n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1egr s LYS 54 N 0.00 2.21 1.02 1.61 -2.85 -1.26 -4.97 119.74 115.50 1egr s LYS 54 Ca 0.00 -0.14 -0.13 0.00 -1.00 0.00 0.00 55.97 54.70 1egr s LYS 54 Cb 0.00 -2.13 0.13 0.00 -2.06 0.00 0.00 37.83 33.78 1egr s LYS 54 CO 0.00 -1.28 0.67 -0.35 0.10 0.00 0.00 175.35 174.49 1egr n PRO 55 N -2.99 -1.02 -1.97 1.78 -0.04 -1.26 -4.66 135.00 124.85 1egr n PRO 55 Ca 0.08 -0.25 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1egr n PRO 55 Cb 0.60 -2.04 0.05 0.00 -0.04 0.00 0.00 33.50 32.07 1egr n PRO 55 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1egr n VAL 56 N -4.22 2.20 -0.08 0.52 0.24 -1.26 -4.92 118.33 110.81 1egr n VAL 56 Ca 0.06 -3.78 -0.02 0.00 -2.04 0.00 0.00 64.34 58.56 1egr n VAL 56 Cb 0.55 -0.55 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1egr n VAL 56 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1egr n GLU 57 N -0.70 -0.08 0.00 7.34 4.71 -1.26 -4.58 120.64 126.06 1egr n GLU 57 Ca 0.33 0.40 0.00 0.00 -0.01 0.00 0.00 57.16 57.88 1egr n GLU 57 Cb 0.91 -0.59 0.00 0.00 -1.01 0.00 0.00 31.44 30.75 1egr n GLU 57 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1egr n THR 58 N -3.54 0.00 -4.52 2.62 5.66 -1.26 -5.15 114.28 108.09 1egr n THR 58 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1egr n THR 58 Cb 0.05 -0.07 -0.09 0.00 -1.55 0.00 0.00 70.33 68.67 1egr n THR 58 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1egr s VAL 59 N 1.71 0.82 0.04 1.08 -7.23 -1.26 -4.94 120.40 110.62 1egr s VAL 59 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1egr s VAL 59 Cb 0.00 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1egr s VAL 59 CO 0.00 0.00 0.05 -0.81 -0.31 0.00 0.00 175.10 174.03 1egr n PRO 60 N -0.88 1.14 -3.95 4.82 -0.04 -1.26 -5.04 135.00 129.78 1egr n PRO 60 Ca -0.06 -0.24 -0.09 0.00 -0.04 0.00 0.00 63.50 63.07 1egr n PRO 60 Cb 0.66 -0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.01 1egr n PRO 60 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1egr s GLN 61 N -2.18 0.44 0.01 0.54 -0.21 -0.57 -4.48 119.66 113.20 1egr s GLN 61 Ca 0.04 -0.64 0.07 0.00 0.02 0.00 0.00 55.36 54.85 1egr s GLN 61 Cb -0.00 0.17 -0.02 0.00 1.00 0.00 0.00 33.01 34.15 1egr s GLN 61 CO 0.02 -0.09 -0.20 0.42 -2.12 0.00 0.00 175.29 173.32 1egr s ILE 62 N -1.88 1.60 0.10 1.08 1.09 0.43 -0.61 121.20 123.02 1egr s ILE 62 Ca -0.12 -1.00 0.07 0.00 -1.10 0.00 0.00 60.65 58.50 1egr s ILE 62 Cb -0.06 -1.36 -0.03 0.00 -1.06 0.00 0.00 42.46 39.94 1egr s ILE 62 CO -0.02 0.33 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.61 1egr s PHE 63 N -0.62 1.57 -0.13 3.97 0.40 0.16 -0.94 117.98 122.39 1egr s PHE 63 Ca 0.07 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1egr s PHE 63 Cb -0.08 -0.86 0.01 0.00 0.51 0.00 0.00 43.02 42.60 1egr s PHE 63 CO 0.00 0.16 -0.21 0.08 0.70 0.00 0.00 175.22 175.95 1egr s VAL 64 N -1.34 2.01 0.00 -0.44 1.01 0.20 -0.85 120.40 120.99 1egr s VAL 64 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1egr s VAL 64 Cb -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1egr s VAL 64 CO 0.04 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 175.01 1egr n ASP 65 N 4.05 0.00 0.00 3.32 2.03 0.36 0.27 116.55 126.58 1egr n ASP 65 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1egr n ASP 65 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1egr n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1egr n GLN 66 N 0.00 -0.00 -3.07 -0.67 6.02 -1.26 -4.97 117.38 113.42 1egr n GLN 66 Ca 0.00 -0.37 -0.20 0.00 -0.01 0.00 0.00 57.00 56.42 1egr n GLN 66 Cb 0.00 -0.70 0.01 0.00 1.02 0.00 0.00 30.24 30.57 1egr n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1egr s GLN 67 N -0.10 2.91 -0.08 -1.09 -0.21 0.14 -5.10 119.66 116.13 1egr s GLN 67 Ca 0.00 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.46 1egr s GLN 67 Cb 0.00 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1egr s GLN 67 CO 0.00 -0.26 -0.03 -1.58 -2.12 0.00 0.00 175.29 171.30 1egr s HIS 68 N -2.43 3.07 -0.24 0.91 5.65 -1.26 -0.62 115.29 120.37 1egr s HIS 68 Ca 0.51 0.11 -0.02 0.00 0.25 0.00 0.00 55.06 55.91 1egr s HIS 68 Cb -0.10 -1.77 -0.14 0.00 -1.18 0.00 0.00 32.58 29.39 1egr s HIS 68 CO 0.35 0.40 -0.24 -0.89 -0.65 0.00 0.00 174.74 173.70 1egr n ILE 69 N 2.23 1.37 0.00 0.89 2.08 -0.11 -4.87 119.36 120.95 1egr n ILE 69 Ca -0.18 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.65 1egr n ILE 69 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 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 2.09 0.53 2.01 7.39 0.00 -1.17 -4.76 105.19 111.29 1egr n GLY 70 Ca -0.44 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.38 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 3.35 0.25 -0.02 0.00 -1.26 -0.43 105.19 107.09 1egr n GLY 71 Ca 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 1egr n GLY 71 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1egr n TYR 72 N -0.95 0.00 -0.00 1.61 9.36 -1.26 -0.51 117.16 125.41 1egr n TYR 72 Ca -0.06 0.80 -0.02 0.00 3.32 0.00 0.00 57.90 61.94 1egr n TYR 72 Cb 0.34 -0.73 -0.01 0.00 -0.63 0.00 0.00 39.34 38.31 1egr n TYR 72 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1egr h THR 73 N 0.00 0.00 -0.99 2.97 1.35 -1.98 0.14 112.91 114.40 1egr h THR 73 Ca 0.22 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.28 1egr h THR 73 Cb 0.38 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.70 1egr h THR 73 CO -0.65 0.00 0.62 0.44 -0.25 0.00 0.00 175.52 175.68 1egr h ASP 74 N -0.07 0.70 0.13 5.36 5.19 -1.40 -0.16 116.42 126.18 1egr h ASP 74 Ca 0.00 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1egr h ASP 74 Cb 0.08 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1egr h ASP 74 CO -0.06 0.24 -0.06 0.15 -3.12 0.00 0.00 179.24 176.39 1egr h PHE 75 N 0.68 -0.16 -0.24 4.55 3.57 -0.08 0.68 116.94 125.95 1egr h PHE 75 Ca 0.57 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.10 1egr h PHE 75 Cb 1.00 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1egr h PHE 75 CO -0.00 0.11 0.02 0.00 -2.23 0.00 0.00 178.31 176.20 1egr h ALA 76 N 0.40 0.22 0.78 2.41 0.00 0.48 0.28 119.26 123.83 1egr h ALA 76 Ca -0.02 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1egr h ALA 76 Cb 0.34 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1egr h ALA 76 CO 0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 179.25 178.50 1egr h ALA 77 N 1.19 -1.05 -0.86 0.00 0.00 -1.01 -0.22 119.26 117.32 1egr h ALA 77 Ca 0.11 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1egr h ALA 77 Cb 0.13 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 1egr h ALA 77 CO -0.17 -1.01 -0.25 2.35 0.00 0.00 0.00 179.25 180.16 1egr h TRP 78 N -1.20 -0.60 0.12 0.00 7.01 0.62 0.34 115.95 122.25 1egr h TRP 78 Ca -0.11 0.08 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1egr h TRP 78 Cb 0.82 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 28.25 1egr h TRP 78 CO -0.00 -0.38 -0.23 0.28 -2.79 0.00 0.00 178.44 175.31 1egr h VAL 79 N -0.02 0.00 -1.02 2.65 2.07 -0.26 0.11 116.25 119.78 1egr h VAL 79 Ca 0.39 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.20 1egr h VAL 79 Cb 0.62 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1egr h VAL 79 CO -0.89 0.00 0.76 0.50 0.02 0.00 0.00 177.57 177.97 1egr h LYS 80 N -0.38 0.00 -0.41 1.57 1.63 0.14 0.33 116.57 119.44 1egr h LYS 80 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1egr h LYS 80 Cb 0.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1egr h LYS 80 CO -0.09 0.00 0.00 0.39 -3.45 0.00 0.00 179.45 176.30 1egr n GLU 81 N -4.14 2.47 0.00 1.90 1.02 0.73 -4.13 120.64 118.48 1egr n GLU 81 Ca 0.22 -2.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1egr n GLU 81 Cb 1.11 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1egr n GLU 81 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1egr n ASN 82 N 1.03 2.43 -1.56 1.62 3.02 0.34 -4.77 115.26 117.37 1egr n ASN 82 Ca 0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1egr n ASN 82 Cb 0.50 0.12 0.24 0.00 -0.61 0.00 0.00 39.78 40.03 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 -1.72 5.16 -2.56 3.41 4.77 0.94 -4.71 117.00 122.30 1egr n LEU 83 Ca 0.00 -3.42 -0.24 0.00 -0.03 0.00 0.00 56.01 52.32 1egr n LEU 83 Cb 0.27 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 1egr n LEU 83 CO 0.00 0.96 2.18 -0.67 -1.33 0.00 0.00 177.39 178.53 1egr n ASP 84 N -0.70 6.63 0.00 -1.43 2.03 -1.25 -4.94 116.55 116.89 1egr n ASP 84 Ca 0.38 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 53.03 1egr n ASP 84 Cb 1.23 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1egr n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28