#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ega s SER 2 N 0.00 4.66 -0.09 1.61 1.04 -1.26 -5.10 113.70 114.56 2ega s SER 2 Ca 0.00 0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.68 2ega s SER 2 Cb 0.00 -0.80 -0.00 0.00 0.10 0.00 0.00 66.02 65.32 2ega s SER 2 CO 0.00 -1.66 -0.24 -0.44 0.98 0.00 0.00 173.24 171.87 2ega s SER 3 N -4.57 3.09 0.00 7.02 0.01 -1.26 -5.13 113.70 112.86 2ega s SER 3 Ca 0.62 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2ega s SER 3 Cb -0.09 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2ega s SER 3 CO 0.44 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.88 2ega n GLY 4 N 3.41 1.13 3.59 3.44 0.00 -1.26 -5.03 105.19 110.46 2ega n GLY 4 Ca -0.19 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 2ega n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ega n SER 5 N 0.00 0.16 -3.67 1.61 7.64 -1.26 -4.84 113.62 113.27 2ega n SER 5 Ca 0.00 0.66 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 2ega n SER 5 Cb 0.00 -1.37 -0.00 0.00 -1.01 0.00 0.00 64.21 61.83 2ega n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ega n SER 6 N -1.39 5.21 -4.19 6.43 7.64 -1.26 -4.84 113.62 121.22 2ega n SER 6 Ca 0.12 -2.86 -0.44 0.00 1.01 0.00 0.00 58.87 56.71 2ega n SER 6 Cb 0.49 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2ega n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ega n GLY 7 N 3.63 4.40 3.87 0.23 0.00 -1.26 -5.02 105.19 111.03 2ega n GLY 7 Ca 0.55 -2.40 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 2ega n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ega s LEU 8 N -0.89 3.37 -0.20 0.99 1.43 -1.26 -5.06 118.68 117.06 2ega s LEU 8 Ca 0.35 1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 2ega s LEU 8 Cb -0.01 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 2ega s LEU 8 CO 0.01 -0.77 0.11 -1.61 0.23 0.00 0.00 176.35 174.32 2ega s GLU 9 N -4.84 4.09 -0.37 1.70 2.02 -1.26 -4.97 118.70 115.06 2ega s GLU 9 Ca 0.55 -0.27 -0.18 0.00 0.02 0.00 0.00 54.97 55.09 2ega s GLU 9 Cb -0.11 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2ega s GLU 9 CO 0.47 0.24 0.51 -0.65 0.02 0.00 0.00 175.26 175.85 2ega s GLN 10 N 0.51 3.48 0.14 1.61 -0.21 -1.26 -0.66 119.66 123.27 2ega s GLN 10 Ca 0.06 -0.31 0.03 0.00 0.02 0.00 0.00 55.36 55.16 2ega s GLN 10 Cb -0.12 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 2ega s GLN 10 CO -0.00 -0.72 0.21 0.71 -2.12 0.00 0.00 175.29 173.36 2ega s TYR 11 N 2.39 3.34 -0.13 0.91 1.51 -0.05 -4.15 117.35 121.16 2ega s TYR 11 Ca 0.18 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2ega s TYR 11 Cb -0.16 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 2ega s TYR 11 CO 0.14 0.52 -0.05 0.54 -1.11 0.00 0.00 175.55 175.59 2ega s VAL 12 N -1.70 3.78 0.57 0.71 0.11 -0.50 -1.22 120.40 122.15 2ega s VAL 12 Ca 0.33 -0.41 -0.20 0.00 -2.93 0.00 0.00 61.98 58.77 2ega s VAL 12 Cb -0.11 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2ega s VAL 12 CO 0.26 0.52 1.27 -0.69 -3.33 0.00 0.00 175.10 173.13 2ega s VAL 13 N 0.07 2.40 -0.05 2.04 1.01 -0.00 -1.05 120.40 124.82 2ega s VAL 13 Ca -0.01 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.34 2ega s VAL 13 Cb -0.14 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 2ega s VAL 13 CO 0.03 -0.03 0.12 1.33 0.00 0.00 0.00 175.10 176.55 2ega n VAL 14 N -1.30 0.32 -3.74 2.92 0.24 -1.24 -2.43 118.33 113.10 2ega n VAL 14 Ca 0.12 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.34 62.00 2ega n VAL 14 Cb 0.48 -0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.52 2ega n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ega s SER 15 N -3.63 -0.14 0.82 -1.34 0.15 -1.26 -4.78 113.70 103.52 2ega s SER 15 Ca -0.04 -0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.27 2ega s SER 15 Cb 0.04 0.38 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 2ega s SER 15 CO 0.39 -0.67 1.14 0.54 1.20 0.00 0.00 173.24 175.84 2ega s ASN 16 N -2.23 3.76 0.06 5.45 2.20 -1.26 -4.26 114.94 118.66 2ega s ASN 16 Ca -0.03 2.11 -0.03 0.00 -0.94 0.00 0.00 52.86 53.97 2ega s ASN 16 Cb 0.00 -2.56 -0.03 0.00 -2.00 0.00 0.00 41.25 36.66 2ega s ASN 16 CO -0.05 -2.54 0.03 -0.47 -2.94 0.00 0.00 177.10 171.13 2ega s TYR 17 N -2.56 0.43 -0.16 1.54 5.04 -0.98 -4.97 117.35 115.69 2ega s TYR 17 Ca 0.67 -0.95 0.01 0.00 -2.44 0.00 0.00 57.07 54.36 2ega s TYR 17 Cb -0.22 -0.30 0.02 0.00 0.35 0.00 0.00 41.96 41.80 2ega s TYR 17 CO 0.54 -0.43 -0.18 0.21 -1.34 0.00 0.00 175.55 174.35 2ega s LYS 18 N -3.91 2.74 1.13 4.97 2.20 -1.26 -4.07 119.74 121.55 2ega s LYS 18 Ca 0.07 -0.74 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 2ega s LYS 18 Cb 0.07 -2.38 0.19 0.00 -1.51 0.00 0.00 37.83 34.20 2ega s LYS 18 CO -0.10 -0.18 0.55 0.36 -0.36 0.00 0.00 175.35 175.61 2ega n LYS 19 N 4.57 -1.87 -3.63 4.03 -0.00 -1.26 -4.80 118.16 115.20 2ega n LYS 19 Ca -0.20 -0.52 -0.11 0.00 -0.00 0.00 0.00 58.31 57.48 2ega n LYS 19 Cb 0.50 -1.96 -0.07 0.00 -0.00 0.00 0.00 35.03 33.51 2ega n LYS 19 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2ega s GLN 20 N -3.95 0.73 -1.62 -1.58 -0.21 -1.26 -4.90 119.66 106.88 2ega s GLN 20 Ca 0.62 0.95 0.00 0.00 0.02 0.00 0.00 55.36 56.95 2ega s GLN 20 Cb -0.19 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.13 2ega s GLN 20 CO 0.65 -0.10 0.00 0.39 -2.12 0.00 0.00 175.29 174.11 2ega n GLU 21 N 2.94 -1.71 -2.35 2.91 1.02 -1.26 -0.94 120.64 121.24 2ega n GLU 21 Ca -0.15 0.91 -0.17 0.00 -0.02 0.00 0.00 57.16 57.73 2ega n GLU 21 Cb 0.56 -5.43 -0.01 0.00 -0.02 0.00 0.00 31.44 26.54 2ega n GLU 21 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2ega n ASN 22 N -1.56 -4.90 0.01 1.62 5.15 -1.26 -4.80 115.26 109.52 2ega n ASN 22 Ca -0.19 0.11 -0.02 0.00 -0.60 0.00 0.00 54.58 53.88 2ega n ASN 22 Cb 0.62 -4.13 -0.01 0.00 -0.53 0.00 0.00 39.78 35.73 2ega n ASN 22 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ega n SER 23 N -1.84 0.48 -4.66 1.20 7.64 -0.12 -5.07 113.62 111.25 2ega n SER 23 Ca -0.20 0.07 -0.30 0.00 1.01 0.00 0.00 58.87 59.45 2ega n SER 23 Cb 0.64 -0.16 0.17 0.00 -1.01 0.00 0.00 64.21 63.85 2ega n SER 23 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2ega s GLU 24 N -2.05 0.70 -0.07 1.43 2.02 -1.08 -3.34 118.70 116.31 2ega s GLU 24 Ca -0.03 0.93 0.05 0.00 0.02 0.00 0.00 54.97 55.94 2ega s GLU 24 Cb 0.01 -1.74 -0.01 0.00 0.10 0.00 0.00 34.13 32.49 2ega s GLU 24 CO 0.04 -2.65 -0.21 -0.51 0.02 0.00 0.00 175.26 171.94 2ega s LEU 25 N -6.51 2.29 -1.23 1.80 1.43 -1.26 -4.20 118.68 111.00 2ega s LEU 25 Ca 0.65 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2ega s LEU 25 Cb -0.20 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 2ega s LEU 25 CO 0.59 0.24 2.79 -0.24 0.23 0.00 0.00 176.35 179.96 2ega n SER 26 N 2.97 7.91 -4.11 2.29 2.88 -1.26 -4.32 113.62 119.97 2ega n SER 26 Ca -0.18 -2.85 -0.29 0.00 -1.33 0.00 0.00 58.87 54.23 2ega n SER 26 Cb 0.52 -1.44 0.19 0.00 -0.75 0.00 0.00 64.21 62.74 2ega n SER 26 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ega n LEU 27 N 2.48 -1.98 -4.10 2.46 4.77 -1.26 -4.60 117.00 114.76 2ega n LEU 27 Ca 0.66 -0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 56.23 2ega n LEU 27 Cb 0.34 -0.97 -0.12 0.00 -2.33 0.00 0.00 43.42 40.34 2ega n LEU 27 CO 0.66 -3.27 -0.43 -1.58 -1.33 0.00 0.00 177.39 171.44 2ega s GLN 28 N -3.72 0.68 -0.05 3.23 0.74 -1.26 -2.32 119.66 116.96 2ega s GLN 28 Ca 0.56 -0.79 -0.34 0.00 0.05 0.00 0.00 55.36 54.84 2ega s GLN 28 Cb -0.13 -0.58 -0.12 0.00 1.10 0.00 0.00 33.01 33.28 2ega s GLN 28 CO 0.60 0.13 1.86 0.00 -0.55 0.00 0.00 175.29 177.33 2ega n ALA 29 N 1.56 1.00 0.00 1.58 0.00 -1.26 -0.75 120.51 122.64 2ega n ALA 29 Ca -0.21 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2ega n ALA 29 Cb 0.55 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2ega n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ega n GLY 30 N 4.32 3.24 3.77 0.00 0.00 -1.02 -4.99 105.19 110.50 2ega n GLY 30 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 2ega n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ega s GLU 31 N -0.91 3.43 -0.01 1.61 2.56 0.07 -4.69 118.70 120.77 2ega s GLU 31 Ca 0.00 1.82 -0.00 0.00 0.00 0.00 0.00 54.97 56.78 2ega s GLU 31 Cb 0.00 -2.21 -0.04 0.00 2.00 0.00 0.00 34.13 33.88 2ega s GLU 31 CO 0.00 -0.83 0.08 0.08 -0.56 0.00 0.00 175.26 174.03 2ega s VAL 32 N -1.57 4.71 0.08 3.70 1.01 -1.26 -0.82 120.40 126.26 2ega s VAL 32 Ca 0.69 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 2ega s VAL 32 Cb -0.30 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2ega s VAL 32 CO 0.35 0.36 0.12 0.68 0.00 0.00 0.00 175.10 176.60 2ega s VAL 33 N -1.18 0.16 -0.34 2.92 -7.23 -0.36 -4.90 120.40 109.47 2ega s VAL 33 Ca 0.22 -1.43 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 2ega s VAL 33 Cb -0.12 -1.46 0.01 0.00 0.56 0.00 0.00 36.38 35.37 2ega s VAL 33 CO 0.13 -0.74 0.18 -1.81 -0.31 0.00 0.00 175.10 172.56 2ega s ASP 34 N -2.89 5.65 -0.63 4.85 1.11 -0.84 -0.87 116.67 123.05 2ega s ASP 34 Ca 0.07 -0.76 -0.26 0.00 0.18 0.00 0.00 52.55 51.78 2ega s ASP 34 Cb 0.06 -2.02 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 2ega s ASP 34 CO -0.10 -0.29 1.82 -0.69 1.18 0.00 0.00 175.17 177.09 2ega s VAL 35 N 1.59 3.38 -0.00 -1.27 1.01 0.17 -1.13 120.40 124.15 2ega s VAL 35 Ca 0.03 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 2ega s VAL 35 Cb -0.18 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2ega s VAL 35 CO 0.07 -0.99 0.43 0.40 0.00 0.00 0.00 175.10 175.01 2ega h ILE 36 N 6.83 0.00 -4.00 2.22 2.04 -0.87 -3.36 117.51 120.37 2ega h ILE 36 Ca -0.25 -0.07 -0.69 0.00 1.00 0.00 0.00 64.86 64.85 2ega h ILE 36 Cb 1.15 0.00 -0.23 0.00 -0.74 0.00 0.00 36.82 37.00 2ega h ILE 36 CO 1.22 0.00 -0.87 -0.70 0.00 0.00 0.00 178.15 177.80 2ega s GLU 37 N -1.97 1.48 -0.28 2.37 -6.30 -1.13 -4.98 118.70 107.88 2ega s GLU 37 Ca -0.01 -1.29 0.03 0.00 -2.50 0.00 0.00 54.97 51.19 2ega s GLU 37 Cb 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 34.13 32.29 2ega s GLU 37 CO 0.03 0.46 -0.06 0.15 0.02 0.00 0.00 175.26 175.85 2ega s LYS 38 N -1.88 2.10 0.44 4.30 1.02 -1.26 -0.29 119.74 124.17 2ega s LYS 38 Ca 0.13 -1.46 -0.22 0.00 0.02 0.00 0.00 55.97 54.45 2ega s LYS 38 Cb -0.10 -2.99 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 2ega s LYS 38 CO 0.05 -0.66 1.03 1.21 -0.92 0.00 0.00 175.35 176.06 2ega s ASN 39 N 1.08 6.62 0.37 2.83 2.47 -1.13 -4.95 114.94 122.24 2ega s ASN 39 Ca -0.04 1.93 0.15 0.00 0.42 0.00 0.00 52.86 55.32 2ega s ASN 39 Cb -0.20 -2.57 0.73 0.00 -1.45 0.00 0.00 41.25 37.77 2ega s ASN 39 CO -0.05 -0.58 1.80 1.05 -3.72 0.00 0.00 177.10 175.59 2ega h GLU 40 N 2.02 0.00 -0.24 0.43 4.11 -2.00 -2.80 114.58 116.11 2ega h GLU 40 Ca -0.49 0.00 0.01 0.00 0.07 0.00 0.00 59.36 58.95 2ega h GLU 40 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2ega h GLU 40 CO 0.61 0.38 0.16 1.03 0.07 0.00 0.00 179.01 181.26 2ega h SER 41 N 0.00 0.25 0.00 3.06 0.87 -2.05 -3.46 113.55 112.22 2ega h SER 41 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2ega h SER 41 Cb 0.74 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2ega h SER 41 CO 0.05 0.18 0.00 0.61 -0.53 0.00 0.00 176.83 177.14 2ega n GLY 42 N -1.51 1.61 3.61 5.77 0.00 -1.05 -5.08 105.19 108.54 2ega n GLY 42 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2ega n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ega s TRP 43 N -1.09 3.23 0.16 1.61 0.52 -1.26 -0.28 118.94 121.84 2ega s TRP 43 Ca 0.00 0.67 0.03 0.00 0.02 0.00 0.00 56.10 56.82 2ega s TRP 43 Cb 0.00 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 2ega s TRP 43 CO 0.00 -0.43 0.26 -1.58 0.02 0.00 0.00 176.95 175.22 2ega s TRP 44 N 2.59 3.41 -0.45 -1.98 0.51 0.84 -2.84 118.94 121.02 2ega s TRP 44 Ca 0.26 0.07 -0.13 0.00 -2.12 0.00 0.00 56.10 54.18 2ega s TRP 44 Cb -0.15 -1.62 0.07 0.00 -0.81 0.00 0.00 33.47 30.96 2ega s TRP 44 CO 0.11 0.51 0.34 0.12 -0.51 0.00 0.00 176.95 177.52 2ega s PHE 45 N -1.77 3.27 0.13 -1.98 5.36 0.60 -1.00 117.98 122.59 2ega s PHE 45 Ca 0.34 -1.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.23 2ega s PHE 45 Cb -0.11 -3.06 -0.04 0.00 -0.34 0.00 0.00 43.02 39.48 2ega s PHE 45 CO 0.27 -0.80 0.18 0.14 -1.46 0.00 0.00 175.22 173.55 2ega s VAL 46 N 1.57 4.86 -0.04 3.12 -7.23 -1.05 -0.17 120.40 121.45 2ega s VAL 46 Ca 0.04 -0.82 0.05 0.00 -1.81 0.00 0.00 61.98 59.44 2ega s VAL 46 Cb -0.24 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 2ega s VAL 46 CO 0.05 -0.03 -0.20 -0.55 -0.31 0.00 0.00 175.10 174.07 2ega s SER 47 N -2.93 2.43 0.34 4.85 0.15 -0.28 -2.39 113.70 115.86 2ega s SER 47 Ca 0.32 -0.40 0.07 0.00 0.70 0.00 0.00 55.95 56.64 2ega s SER 47 Cb -0.11 -0.61 -0.07 0.00 -1.71 0.00 0.00 66.02 63.52 2ega s SER 47 CO 0.25 0.19 -0.02 0.42 1.20 0.00 0.00 173.24 175.29 2ega s THR 48 N -0.09 1.73 0.58 6.45 -4.23 -0.22 -1.98 115.64 117.88 2ega s THR 48 Ca -0.02 -2.07 0.28 0.00 -1.18 0.00 0.00 61.69 58.69 2ega s THR 48 Cb -0.12 -2.72 0.37 0.00 1.34 0.00 0.00 72.50 71.38 2ega s THR 48 CO 0.02 -0.13 2.03 0.28 -0.54 0.00 0.00 174.62 176.28 2ega h SER 49 N 2.06 0.00 0.00 3.99 0.02 -2.01 -3.05 113.55 114.56 2ega h SER 49 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2ega h SER 49 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2ega h SER 49 CO 0.72 0.00 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.32 2ega h GLU 50 N 0.00 0.00 0.00 3.45 4.57 -2.00 -3.50 114.58 117.09 2ega h GLU 50 Ca 0.15 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.21 2ega h GLU 50 Cb 0.75 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.32 2ega h GLU 50 CO -0.00 0.00 0.01 0.39 -1.18 0.00 0.00 179.01 178.22 2ega n GLU 51 N -2.54 0.54 -5.10 1.92 -0.58 -1.15 -5.17 120.64 108.56 2ega n GLU 51 Ca -0.00 -1.61 -0.29 0.00 -0.42 0.00 0.00 57.16 54.84 2ega n GLU 51 Cb 0.01 1.70 -0.16 0.00 -0.57 0.00 0.00 31.44 32.41 2ega n GLU 51 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2ega s GLN 52 N -2.33 2.24 0.18 3.49 -0.21 -1.26 -1.06 119.66 120.70 2ega s GLN 52 Ca 0.15 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 2ega s GLN 52 Cb -0.02 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 32.08 2ega s GLN 52 CO 0.11 0.33 0.36 0.20 -2.12 0.00 0.00 175.29 174.17 2ega s GLY 53 N -0.09 0.29 -0.24 3.09 0.00 -1.01 -4.88 107.32 104.48 2ega s GLY 53 Ca -0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 2ega s GLY 53 CO 0.03 -0.65 0.43 -0.98 0.00 0.00 0.00 173.10 171.93 2ega s TRP 54 N -3.94 3.30 0.14 1.90 0.52 -1.21 -2.52 118.94 117.12 2ega s TRP 54 Ca 0.15 0.56 0.06 0.00 0.02 0.00 0.00 56.10 56.88 2ega s TRP 54 Cb 0.02 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 2ega s TRP 54 CO -0.01 -0.16 -0.14 0.14 0.02 0.00 0.00 176.95 176.80 2ega s VAL 55 N 1.86 1.36 0.15 4.03 -7.23 -0.17 -4.42 120.40 115.97 2ega s VAL 55 Ca 0.18 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 2ega s VAL 55 Cb -0.15 -1.64 -0.08 0.00 0.56 0.00 0.00 36.38 35.06 2ega s VAL 55 CO 0.09 -0.48 1.34 -2.16 -0.31 0.00 0.00 175.10 173.58 2ega s PRO 56 N -2.94 4.36 0.54 4.82 0.04 -1.26 -0.11 135.00 140.44 2ega s PRO 56 Ca 0.12 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.50 2ega s PRO 56 Cb -0.03 -3.23 1.47 0.00 0.04 0.00 0.00 34.50 32.74 2ega s PRO 56 CO 0.03 -0.34 1.91 0.00 0.04 0.00 0.00 177.00 178.64 2ega h ALA 57 N 6.17 2.78 -0.26 8.56 0.00 -0.98 0.22 119.26 135.76 2ega h ALA 57 Ca -0.43 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2ega h ALA 57 Cb 1.21 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2ega h ALA 57 CO 0.82 -1.02 0.27 1.79 0.00 0.00 0.00 179.25 181.11 2ega h THR 58 N 0.00 0.46 -0.89 0.00 1.35 -1.91 0.13 112.91 112.04 2ega h THR 58 Ca 0.39 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.78 2ega h THR 58 Cb 1.58 0.78 -0.28 0.00 -1.73 0.00 0.00 68.15 68.51 2ega h THR 58 CO -0.00 0.00 0.60 -1.22 -0.25 0.00 0.00 175.52 174.65 2ega n TYR 59 N -3.80 2.76 -3.82 4.73 4.02 0.76 -4.89 117.16 116.92 2ega n TYR 59 Ca 0.03 -1.79 -0.13 0.00 -0.01 0.00 0.00 57.90 56.00 2ega n TYR 59 Cb 0.41 -0.91 -0.13 0.00 -0.02 0.00 0.00 39.34 38.69 2ega n TYR 59 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2ega s LEU 60 N -2.98 1.48 0.12 7.72 1.43 0.44 -3.68 118.68 123.20 2ega s LEU 60 Ca 0.51 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 2ega s LEU 60 Cb 0.43 0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.94 2ega s LEU 60 CO 0.09 -0.05 -0.18 -0.70 0.23 0.00 0.00 176.35 175.73 2ega s GLU 61 N 0.24 1.10 -0.66 1.70 2.56 -0.22 -4.94 118.70 118.48 2ega s GLU 61 Ca -0.02 -1.20 -0.27 0.00 0.00 0.00 0.00 54.97 53.48 2ega s GLU 61 Cb -0.03 -1.23 0.03 0.00 2.00 0.00 0.00 34.13 34.90 2ega s GLU 61 CO -0.01 0.27 1.29 0.00 -0.56 0.00 0.00 175.26 176.25 2ega s ALA 62 N -1.51 2.82 -0.20 6.30 0.00 -1.26 -1.42 121.76 126.49 2ega s ALA 62 Ca 0.08 -1.08 -0.36 0.00 0.00 0.00 0.00 51.96 50.59 2ega s ALA 62 Cb -0.08 -4.17 -0.13 0.00 0.00 0.00 0.00 23.12 18.74 2ega s ALA 62 CO 0.04 -3.06 1.88 1.04 0.00 0.00 0.00 175.76 175.67 2ega n GLN 63 N 8.97 1.64 -3.64 0.00 6.02 -1.26 -4.91 117.38 124.20 2ega n GLN 63 Ca 0.07 0.59 -0.05 0.00 -0.01 0.00 0.00 57.00 57.59 2ega n GLN 63 Cb 0.49 -2.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.25 2ega n GLN 63 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ega s ASN 64 N 4.42 -0.17 1.33 1.08 2.47 -1.26 -5.07 114.94 117.74 2ega s ASN 64 Ca 0.97 0.32 -0.21 0.00 0.42 0.00 0.00 52.86 54.37 2ega s ASN 64 Cb -0.85 0.33 0.32 0.00 -1.45 0.00 0.00 41.25 39.60 2ega s ASN 64 CO 0.56 -0.06 0.73 -0.24 -3.72 0.00 0.00 177.10 174.38 2ega n SER 65 N 1.74 -3.70 0.00 -4.21 2.88 -1.26 -5.02 113.62 104.04 2ega n SER 65 Ca -0.11 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 2ega n SER 65 Cb 0.57 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2ega n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ega n GLY 66 N 1.99 -0.94 3.58 0.46 0.00 -1.26 -5.07 105.19 103.96 2ega n GLY 66 Ca 0.11 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 2ega n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ega s PRO 67 N 0.00 2.48 -0.08 1.61 0.04 -1.26 -4.48 135.00 133.31 2ega s PRO 67 Ca 0.00 -1.16 0.09 0.00 0.04 0.00 0.00 61.00 59.97 2ega s PRO 67 Cb 0.00 -5.24 -0.13 0.00 0.04 0.00 0.00 34.50 29.17 2ega s PRO 67 CO 0.00 -3.99 0.07 -1.13 0.04 0.00 0.00 177.00 171.99 2ega n SER 68 N 14.43 2.58 -2.35 6.66 3.41 -1.26 -5.01 113.62 132.07 2ega n SER 68 Ca 0.45 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.87 2ega n SER 68 Cb 0.47 0.88 0.01 0.00 -0.26 0.00 0.00 64.21 65.30 2ega n SER 68 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ega n SER 69 N -2.27 -5.47 0.00 4.04 2.88 -1.26 -5.38 113.62 106.16 2ega n SER 69 Ca -0.13 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 2ega n SER 69 Cb 0.72 -4.43 0.00 0.00 -0.75 0.00 0.00 64.21 59.75 2ega n SER 69 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42