#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jya s SER 2 N 0.00 1.50 0.05 7.83 0.01 -1.26 -1.79 113.70 120.04 2jya s SER 2 Ca 0.00 -1.20 -0.27 0.00 1.31 0.00 0.00 55.95 55.79 2jya s SER 2 Cb 0.00 0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.37 2jya s SER 2 CO 0.00 -0.54 0.66 0.00 0.41 0.00 0.00 173.24 173.76 2jya s ALA 3 N -3.55 -1.69 -0.18 1.44 0.00 -0.07 -1.56 121.76 116.15 2jya s ALA 3 Ca 0.26 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 53.10 2jya s ALA 3 Cb 0.06 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 2jya s ALA 3 CO 0.06 -0.58 -0.08 -1.59 0.00 0.00 0.00 175.76 173.57 2jya s LYS 4 N -2.54 3.37 -0.19 0.00 -2.85 -0.35 -1.57 119.74 115.60 2jya s LYS 4 Ca -0.04 -0.65 -0.07 0.00 -1.00 0.00 0.00 55.97 54.21 2jya s LYS 4 Cb -0.01 -2.85 -0.04 0.00 -2.06 0.00 0.00 37.83 32.88 2jya s LYS 4 CO -0.02 -0.04 0.05 0.42 0.10 0.00 0.00 175.35 175.85 2jya s ILE 5 N 1.04 4.52 0.32 3.79 1.01 -0.56 -1.79 121.20 129.53 2jya s ILE 5 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 2jya s ILE 5 Cb -0.15 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2jya s ILE 5 CO -0.01 0.43 0.47 -0.72 0.00 0.00 0.00 174.94 175.11 2jya s TYR 6 N 0.69 0.91 -0.32 3.97 1.13 -0.64 -0.33 117.35 122.77 2jya s TYR 6 Ca 0.02 -1.18 -0.02 0.00 -1.41 0.00 0.00 57.07 54.48 2jya s TYR 6 Cb -0.13 -0.03 0.12 0.00 -1.10 0.00 0.00 41.96 40.82 2jya s TYR 6 CO 0.02 -1.10 0.18 0.50 -2.51 0.00 0.00 175.55 172.64 2jya s ARG 7 N -3.26 0.35 0.95 -3.49 3.52 -1.26 -0.46 118.95 115.30 2jya s ARG 7 Ca 0.29 -0.83 -0.14 0.00 -0.13 0.00 0.00 55.73 54.92 2jya s ARG 7 Cb -0.00 -1.17 0.21 0.00 -1.56 0.00 0.00 34.95 32.43 2jya s ARG 7 CO 0.17 -1.10 1.30 -1.25 -0.81 0.00 0.00 175.30 173.61 2jya s PRO 8 N 1.69 0.58 0.25 5.12 0.04 -1.26 -1.69 135.00 139.73 2jya s PRO 8 Ca 0.13 -0.63 0.22 0.00 0.04 0.00 0.00 61.00 60.75 2jya s PRO 8 Cb -0.19 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.52 2jya s PRO 8 CO -0.21 -2.40 1.18 0.00 0.04 0.00 0.00 177.00 175.61 2jya h ALA 9 N -1.56 0.65 -2.57 8.56 0.00 -1.91 -3.42 119.26 119.01 2jya h ALA 9 Ca -0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2jya h ALA 9 Cb 1.22 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2jya h ALA 9 CO 0.33 0.14 0.20 -1.59 0.00 0.00 0.00 179.25 178.34 2jya s LYS 10 N -3.25 1.18 0.00 0.00 0.00 -1.26 -4.22 119.74 112.19 2jya s LYS 10 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 55.97 55.83 2jya s LYS 10 Cb 0.08 0.55 0.00 0.00 0.00 0.00 0.00 37.83 38.46 2jya s LYS 10 CO 0.76 -0.46 0.00 -2.37 0.00 0.00 0.00 175.35 173.28 2jya n THR 11 N 0.18 0.00 -1.53 3.79 5.66 -1.22 -5.02 114.28 116.13 2jya n THR 11 Ca -0.18 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.42 2jya n THR 11 Cb 0.62 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jya n ALA 12 N -3.00 0.91 -1.99 1.79 0.00 -1.26 -4.86 120.51 112.10 2jya n ALA 12 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 2jya n ALA 12 Cb 0.00 -2.92 -0.05 0.00 0.00 0.00 0.00 19.45 16.48 2jya n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jya s MET 13 N 7.80 2.48 0.03 0.00 1.00 -1.26 -4.66 119.30 124.68 2jya s MET 13 Ca 1.06 0.10 -0.03 0.00 0.00 0.00 0.00 55.69 56.83 2jya s MET 13 Cb -0.47 -4.83 -0.01 0.00 0.00 0.00 0.00 34.83 29.53 2jya s MET 13 CO 0.34 -3.27 -0.05 1.04 0.00 0.00 0.00 175.02 173.08 2jya n GLN 14 N 8.96 0.07 -3.58 2.03 1.13 -1.26 -5.02 117.38 119.71 2jya n GLN 14 Ca 0.35 0.03 -0.29 0.00 -1.94 0.00 0.00 57.00 55.15 2jya n GLN 14 Cb 0.48 -0.51 -0.14 0.00 0.11 0.00 0.00 30.24 30.18 2jya n GLN 14 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2jya s SER 15 N -5.62 3.54 0.00 1.08 1.04 -1.26 -4.97 113.70 107.50 2jya s SER 15 Ca -0.04 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.74 2jya s SER 15 Cb 0.01 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2jya s SER 15 CO 0.06 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2jya n GLY 16 N 4.79 1.61 2.32 7.32 0.00 -1.26 -4.65 105.19 115.32 2jya n GLY 16 Ca -0.00 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 2jya n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jya n THR 17 N 0.00 -0.44 0.00 2.61 -2.24 0.38 -4.55 114.28 110.03 2jya n THR 17 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jya n THR 17 Cb 0.00 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.66 2jya n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya n ALA 18 N -1.63 0.75 0.17 6.98 0.00 -1.26 -3.44 120.51 122.08 2jya n ALA 18 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2jya n ALA 18 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2jya n ALA 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jya h LYS 19 N 0.00 -0.49 -6.24 0.00 1.57 -1.80 -3.42 116.57 106.18 2jya h LYS 19 Ca 0.00 0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.24 2jya h LYS 19 Cb 0.00 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2jya h LYS 19 CO 0.00 -0.33 -0.11 -0.08 -0.57 0.00 0.00 179.45 178.36 2jya s THR 20 N -3.21 4.90 0.11 -0.16 -1.32 -1.26 -5.07 115.64 109.62 2jya s THR 20 Ca -0.07 0.83 -0.09 0.00 -1.21 0.00 0.00 61.69 61.14 2jya s THR 20 Cb 0.01 -3.74 -0.00 0.00 -1.51 0.00 0.00 72.50 67.25 2jya s THR 20 CO 0.22 0.33 0.22 0.21 -2.21 0.00 0.00 174.62 173.39 2jya s ASN 21 N -1.57 0.09 0.51 8.08 3.84 -1.26 -0.47 114.94 124.15 2jya s ASN 21 Ca 0.34 -0.70 0.06 0.00 0.21 0.00 0.00 52.86 52.77 2jya s ASN 21 Cb -0.16 0.37 0.02 0.00 -0.55 0.00 0.00 41.25 40.93 2jya s ASN 21 CO 0.18 -0.78 0.33 0.68 -2.79 0.00 0.00 177.10 174.73 2jya s VAL 22 N -3.89 1.80 -0.14 -5.21 -7.23 -1.26 -4.88 120.40 99.59 2jya s VAL 22 Ca 0.08 -1.55 -0.23 0.00 -1.81 0.00 0.00 61.98 58.47 2jya s VAL 22 Cb 0.04 -2.35 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2jya s VAL 22 CO -0.08 0.00 0.72 0.26 -0.31 0.00 0.00 175.10 175.69 2jya s TRP 23 N -2.73 3.46 -0.15 2.82 0.52 -0.05 -4.48 118.94 118.34 2jya s TRP 23 Ca 0.34 1.15 -0.08 0.00 0.02 0.00 0.00 56.10 57.54 2jya s TRP 23 Cb -0.01 -2.87 -0.04 0.00 -1.15 0.00 0.00 33.47 29.39 2jya s TRP 23 CO 0.20 -0.10 0.13 0.08 0.02 0.00 0.00 176.95 177.28 2jya s VAL 24 N 1.58 5.38 -0.30 4.03 1.01 0.39 -1.11 120.40 131.38 2jya s VAL 24 Ca 0.35 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 2jya s VAL 24 Cb -0.17 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.89 2jya s VAL 24 CO 0.14 0.55 -0.00 -0.22 0.00 0.00 0.00 175.10 175.57 2jya s LEU 25 N -0.50 3.98 -0.12 3.92 0.20 -0.11 -1.62 118.68 124.44 2jya s LEU 25 Ca 0.12 -1.43 -0.03 0.00 0.69 0.00 0.00 54.13 53.48 2jya s LEU 25 Cb -0.12 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 2jya s LEU 25 CO 0.02 -0.28 -0.00 -0.70 -0.29 0.00 0.00 176.35 175.10 2jya s GLU 26 N 1.19 3.38 0.02 1.98 2.12 -0.74 -1.40 118.70 125.25 2jya s GLU 26 Ca -0.04 -0.43 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 2jya s GLU 26 Cb -0.20 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2jya s GLU 26 CO -0.03 0.48 0.17 -0.59 -0.54 0.00 0.00 175.26 174.76 2jya s PHE 27 N -0.26 0.05 -0.49 5.30 -0.71 -0.91 -1.21 117.98 119.75 2jya s PHE 27 Ca 0.06 -0.22 -0.26 0.00 -1.04 0.00 0.00 56.93 55.46 2jya s PHE 27 Cb -0.12 -0.04 -0.06 0.00 -1.21 0.00 0.00 43.02 41.58 2jya s PHE 27 CO 0.02 -0.38 2.32 0.34 -1.34 0.00 0.00 175.22 176.19 2jya s ASP 28 N -1.83 4.62 0.33 1.98 2.15 -0.60 -3.03 116.67 120.28 2jya s ASP 28 Ca -0.09 1.05 -0.28 0.00 0.43 0.00 0.00 52.55 53.66 2jya s ASP 28 Cb -0.03 -2.51 -0.13 0.00 -0.30 0.00 0.00 42.92 39.95 2jya s ASP 28 CO -0.02 -2.75 1.15 0.00 -0.17 0.00 0.00 175.17 173.38 2jya n ALA 29 N 15.20 0.58 0.36 3.66 0.00 -0.51 -4.17 120.51 135.63 2jya n ALA 29 Ca 0.34 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 54.10 2jya n ALA 29 Cb 0.54 -2.14 0.08 0.00 0.00 0.00 0.00 19.45 17.92 2jya n ALA 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jya n GLU 30 N 0.57 1.64 -1.94 0.00 0.28 -1.26 -4.80 120.64 115.14 2jya n GLU 30 Ca 0.07 -0.92 -0.42 0.00 -0.16 0.00 0.00 57.16 55.73 2jya n GLU 30 Cb 0.35 -1.48 -0.03 0.00 1.43 0.00 0.00 31.44 31.71 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jya s VAL 31 N -1.17 3.25 0.71 3.84 0.11 -1.26 -5.00 120.40 120.88 2jya s VAL 31 Ca 0.17 0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 59.63 2jya s VAL 31 Cb 0.14 -3.34 0.17 0.00 -1.53 0.00 0.00 36.38 31.81 2jya s VAL 31 CO 0.04 -0.02 0.84 -0.81 -3.33 0.00 0.00 175.10 171.82 2jya n PRO 32 N 6.31 -1.38 0.14 1.54 -0.04 -1.26 -4.94 135.00 135.36 2jya n PRO 32 Ca 0.17 -1.32 0.12 0.00 -0.04 0.00 0.00 63.50 62.42 2jya n PRO 32 Cb 0.41 -0.98 0.51 0.00 -0.04 0.00 0.00 33.50 33.41 2jya n PRO 32 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jya n ARG 33 N -3.17 0.18 -0.02 0.54 1.85 -1.26 -3.21 116.66 111.56 2jya n ARG 33 Ca 0.11 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 2jya n ARG 33 Cb 0.39 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2jya n ARG 33 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2jya n LYS 34 N -2.24 0.86 -1.76 2.89 4.76 -1.26 -4.87 118.16 116.54 2jya n LYS 34 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 2jya n LYS 34 Cb 0.17 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 2jya n LYS 34 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2jya s ILE 35 N 0.14 2.97 0.08 -0.18 -4.36 -1.20 -4.94 121.20 113.71 2jya s ILE 35 Ca 0.00 0.18 -0.31 0.00 -0.26 0.00 0.00 60.65 60.26 2jya s ILE 35 Cb 0.00 -3.12 -0.08 0.00 1.25 0.00 0.00 42.46 40.52 2jya s ILE 35 CO 0.00 -0.01 1.48 -0.62 0.24 0.00 0.00 174.94 176.03 2jya s ASP 36 N 3.58 6.75 0.57 4.36 2.15 -1.22 -4.49 116.67 128.38 2jya s ASP 36 Ca 0.83 2.34 0.29 0.00 0.43 0.00 0.00 52.55 56.44 2jya s ASP 36 Cb -0.42 -2.57 1.46 0.00 -0.30 0.00 0.00 42.92 41.08 2jya s ASP 36 CO 0.37 -0.75 1.88 1.55 -0.17 0.00 0.00 175.17 178.05 2jya h PRO 37 N 7.48 0.00 0.00 4.34 0.13 -1.92 -0.53 132.00 141.51 2jya h PRO 37 Ca -0.41 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 2jya h PRO 37 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2jya h PRO 37 CO 0.90 0.00 -0.44 0.82 -0.23 0.00 0.00 178.00 179.05 2jya h ILE 38 N 0.00 0.92 -3.25 -3.56 1.08 -1.91 -3.42 117.51 107.37 2jya h ILE 38 Ca 0.28 -1.83 -0.58 0.00 -0.39 0.00 0.00 64.86 62.34 2jya h ILE 38 Cb 1.38 1.88 -0.40 0.00 -3.07 0.00 0.00 36.82 36.61 2jya h ILE 38 CO -0.00 0.31 -0.76 -0.04 -0.69 0.00 0.00 178.15 176.97 2jya s MET 39 N -2.13 0.83 0.00 2.37 -1.94 -0.88 -4.77 119.30 112.78 2jya s MET 39 Ca -0.17 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 2jya s MET 39 Cb 0.01 -2.12 0.00 0.00 2.01 0.00 0.00 34.83 34.73 2jya s MET 39 CO 0.46 -0.87 0.00 0.41 -0.01 0.00 0.00 175.02 175.00 2jya n GLY 40 N 4.85 4.29 3.19 -0.03 0.00 -1.12 -3.38 105.19 112.99 2jya n GLY 40 Ca -0.04 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 2jya n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jya s TYR 41 N 0.00 3.46 0.23 1.61 5.04 -0.26 -4.81 117.35 122.62 2jya s TYR 41 Ca 0.00 -2.00 0.02 0.00 -2.44 0.00 0.00 57.07 52.65 2jya s TYR 41 Cb 0.00 -3.46 -0.05 0.00 0.35 0.00 0.00 41.96 38.80 2jya s TYR 41 CO 0.00 -0.99 0.03 0.95 -1.34 0.00 0.00 175.55 174.21 2jya s THR 42 N 1.23 0.81 0.03 4.34 -4.23 -1.26 -4.48 115.64 112.07 2jya s THR 42 Ca 0.07 -2.01 -0.27 0.00 -1.18 0.00 0.00 61.69 58.30 2jya s THR 42 Cb -0.25 -2.41 -0.17 0.00 1.34 0.00 0.00 72.50 71.01 2jya s THR 42 CO -0.02 -0.24 1.34 -1.28 -0.54 0.00 0.00 174.62 173.89 2jya h SER 43 N 2.47 -0.49 -1.33 3.99 0.87 -1.98 -3.33 113.55 113.75 2jya h SER 43 Ca -0.38 -0.09 -0.66 0.00 -1.23 0.00 0.00 61.79 59.43 2jya h SER 43 Cb 1.23 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 63.20 2jya h SER 43 CO 0.63 -0.18 1.68 -0.44 -0.53 0.00 0.00 176.83 177.99 2jya s SER 44 N -4.84 6.74 0.22 6.23 0.01 -1.26 -4.85 113.70 115.95 2jya s SER 44 Ca -0.15 -2.17 -0.13 0.00 1.31 0.00 0.00 55.95 54.81 2jya s SER 44 Cb 0.03 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.78 2jya s SER 44 CO 0.55 -1.20 0.67 -0.24 0.41 0.00 0.00 173.24 173.44 2jya n SER 45 N 7.90 -1.50 -4.31 2.44 2.88 -1.25 -5.13 113.62 114.64 2jya n SER 45 Ca 0.39 -1.93 -0.25 0.00 -1.33 0.00 0.00 58.87 55.74 2jya n SER 45 Cb 0.47 2.48 -0.03 0.00 -0.75 0.00 0.00 64.21 66.38 2jya n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jya n ASP 46 N -1.26 2.92 -0.19 -3.46 2.03 -1.26 -5.04 116.55 110.29 2jya n ASP 46 Ca -0.04 -2.77 -0.07 0.00 0.52 0.00 0.00 54.79 52.42 2jya n ASP 46 Cb 0.44 0.17 0.02 0.00 -0.72 0.00 0.00 41.12 41.03 2jya n ASP 46 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2jya h MET 47 N 0.00 0.79 -2.58 -0.67 -1.53 -1.99 -3.46 114.93 105.49 2jya h MET 47 Ca -0.33 -0.11 -0.10 0.00 -3.44 0.00 0.00 59.70 55.71 2jya h MET 47 Cb 1.08 -0.14 -0.23 0.00 -0.55 0.00 0.00 31.60 31.76 2jya h MET 47 CO 0.54 0.64 -0.14 -1.59 0.14 0.00 0.00 176.91 176.51 2jya s LYS 48 N -5.72 0.62 1.05 0.39 0.00 -1.26 -5.05 119.74 109.76 2jya s LYS 48 Ca -0.13 0.53 -0.18 0.00 0.00 0.00 0.00 55.97 56.19 2jya s LYS 48 Cb 0.12 0.30 0.25 0.00 0.00 0.00 0.00 37.83 38.49 2jya s LYS 48 CO 0.77 -0.10 1.31 1.14 0.00 0.00 0.00 175.35 178.47 2jya s GLN 49 N -0.06 -0.06 -0.44 1.78 -2.07 -1.26 -4.81 119.66 112.74 2jya s GLN 49 Ca -0.03 -0.47 0.02 0.00 -1.82 0.00 0.00 55.36 53.06 2jya s GLN 49 Cb -0.03 -1.77 0.13 0.00 -1.09 0.00 0.00 33.01 30.25 2jya s GLN 49 CO 0.02 -2.88 0.23 1.14 -1.32 0.00 0.00 175.29 172.48 2jya s GLN 50 N -5.88 1.34 0.48 9.60 0.00 -1.26 -1.42 119.66 122.52 2jya s GLN 50 Ca 0.76 -2.04 0.00 0.00 -0.00 0.00 0.00 55.36 54.09 2jya s GLN 50 Cb -0.03 -2.44 0.01 0.00 0.00 0.00 0.00 33.01 30.54 2jya s GLN 50 CO 0.54 -1.15 0.71 0.54 0.00 0.00 0.00 175.29 175.93 2jya s VAL 51 N 0.34 3.63 -0.00 3.63 0.11 -1.17 -4.77 120.40 122.16 2jya s VAL 51 Ca 0.17 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.71 2jya s VAL 51 Cb -0.24 -3.35 -0.01 0.00 -1.53 0.00 0.00 36.38 31.25 2jya s VAL 51 CO -0.00 -0.25 -0.06 -1.59 -3.33 0.00 0.00 175.10 169.87 2jya s LYS 52 N -4.62 0.49 0.17 1.54 -2.85 -1.26 -2.13 119.74 111.08 2jya s LYS 52 Ca 0.51 -0.26 0.11 0.00 -1.00 0.00 0.00 55.97 55.33 2jya s LYS 52 Cb -0.10 -0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 35.17 2jya s LYS 52 CO 0.38 0.12 -0.24 -0.51 0.10 0.00 0.00 175.35 175.20 2jya s LEU 53 N -0.25 2.40 -0.08 2.77 1.02 -0.49 -4.96 118.68 119.08 2jya s LEU 53 Ca 0.01 -0.83 0.04 0.00 0.02 0.00 0.00 54.13 53.37 2jya s LEU 53 Cb -0.03 -1.15 -0.01 0.00 0.02 0.00 0.00 46.19 45.02 2jya s LEU 53 CO -0.00 0.12 -0.21 0.42 0.02 0.00 0.00 176.35 176.70 2jya s THR 54 N -1.53 2.38 0.04 5.49 -4.23 -1.26 -0.93 115.64 115.59 2jya s THR 54 Ca 0.18 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 2jya s THR 54 Cb -0.08 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2jya s THR 54 CO 0.09 0.56 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.27 2jya s PHE 55 N -0.01 0.84 0.17 3.99 0.08 -0.27 -4.99 117.98 117.79 2jya s PHE 55 Ca -0.07 -0.39 0.23 0.00 0.12 0.00 0.00 56.93 56.82 2jya s PHE 55 Cb -0.15 -0.50 0.91 0.00 -0.57 0.00 0.00 43.02 42.71 2jya s PHE 55 CO 0.05 -0.02 1.82 0.93 -0.10 0.00 0.00 175.22 177.90 2jya h GLU 56 N 4.85 0.00 -4.62 0.44 4.39 -1.96 -0.10 114.58 117.57 2jya h GLU 56 Ca -0.36 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.11 2jya h GLU 56 Cb 1.19 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 2jya h GLU 56 CO 0.43 0.25 -0.67 0.95 -1.16 0.00 0.00 179.01 178.81 2jya s THR 57 N -3.69 0.50 0.29 1.13 -4.23 -1.26 -4.60 115.64 103.77 2jya s THR 57 Ca 0.00 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2jya s THR 57 Cb 0.11 -1.94 0.14 0.00 1.34 0.00 0.00 72.50 72.14 2jya s THR 57 CO 0.64 -0.61 1.81 -0.61 -0.54 0.00 0.00 174.62 175.31 2jya h GLN 58 N 2.84 0.73 -0.51 3.99 4.15 -1.95 -3.04 115.11 121.32 2jya h GLN 58 Ca -0.36 -0.17 0.10 0.00 0.77 0.00 0.00 58.65 58.99 2jya h GLN 58 Cb 1.19 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.69 2jya h GLN 58 CO 0.63 0.72 -0.04 0.93 -1.93 0.00 0.00 178.83 179.14 2jya h GLU 59 N 0.69 0.08 0.00 1.69 5.08 -1.98 0.20 114.58 120.33 2jya h GLU 59 Ca 0.14 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2jya h GLU 59 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jya h GLU 59 CO 0.01 0.05 -0.43 1.96 -1.00 0.00 0.00 179.01 179.60 2jya h GLN 60 N 0.08 0.00 0.13 2.33 4.20 -1.94 -1.32 115.11 118.60 2jya h GLN 60 Ca 0.26 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.70 2jya h GLN 60 Cb 0.39 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.20 2jya h GLN 60 CO -0.46 0.43 -1.12 0.00 -0.67 0.00 0.00 178.83 177.02 2jya h ALA 61 N 1.57 -0.05 0.05 3.87 0.00 -1.28 -3.20 119.26 120.22 2jya h ALA 61 Ca -0.00 -0.75 -0.16 0.00 0.00 0.00 0.00 54.91 54.00 2jya h ALA 61 Cb 0.80 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jya h ALA 61 CO 0.06 0.58 -0.67 1.05 0.00 0.00 0.00 179.25 180.26 2jya h GLU 62 N 0.07 0.36 0.00 0.00 4.11 -0.49 -2.69 114.58 115.94 2jya h GLU 62 Ca -0.18 -0.46 -0.03 0.00 0.07 0.00 0.00 59.36 58.77 2jya h GLU 62 Cb 1.83 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 2jya h GLU 62 CO 0.21 1.15 -0.13 0.00 0.07 0.00 0.00 179.01 180.31 2jya h ALA 63 N 0.23 1.50 0.38 1.06 0.00 -1.43 -0.40 119.26 120.61 2jya h ALA 63 Ca -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2jya h ALA 63 Cb 1.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2jya h ALA 63 CO 0.13 0.16 -0.18 -0.92 0.00 0.00 0.00 179.25 178.44 2jya h TYR 64 N 0.00 -0.48 -0.60 0.00 3.20 -1.52 -2.34 116.97 115.23 2jya h TYR 64 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2jya h TYR 64 Cb 0.28 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 2jya h TYR 64 CO 0.00 -0.19 0.31 0.00 -1.64 0.00 0.00 178.16 176.64 2jya h ALA 65 N -0.19 0.79 -0.55 1.82 0.00 -1.05 -2.42 119.26 117.67 2jya h ALA 65 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jya h ALA 65 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jya h ALA 65 CO 0.09 -0.04 0.34 1.96 0.00 0.00 0.00 179.25 181.60 2jya h GLN 66 N 0.58 0.74 -0.09 0.00 4.20 -1.14 0.50 115.11 119.90 2jya h GLN 66 Ca 0.27 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 2jya h GLN 66 Cb 0.20 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2jya h GLN 66 CO -0.19 0.53 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.36 2jya h ARG 67 N 0.74 0.13 0.00 1.46 2.43 -1.14 -1.60 114.38 116.40 2jya h ARG 67 Ca 0.20 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2jya h ARG 67 Cb -0.03 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2jya h ARG 67 CO -0.04 0.20 -0.89 0.87 -1.51 0.00 0.00 179.97 178.61 2jya h LYS 68 N 0.13 0.00 0.00 0.20 1.79 -0.95 -3.48 116.57 114.26 2jya h LYS 68 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2jya h LYS 68 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2jya h LYS 68 CO 0.01 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 2jya n GLY 69 N 1.23 0.75 3.60 3.86 0.00 0.36 -5.00 105.19 110.00 2jya n GLY 69 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2jya n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jya s ILE 70 N -2.72 3.02 0.24 -0.61 1.01 0.15 -4.72 121.20 117.57 2jya s ILE 70 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 2jya s ILE 70 Cb 0.00 -3.02 -0.10 0.00 0.01 0.00 0.00 42.46 39.34 2jya s ILE 70 CO 0.00 -0.01 1.50 -1.83 0.00 0.00 0.00 174.94 174.59 2jya s GLU 71 N 6.39 4.23 0.03 2.79 -1.05 -0.74 -4.23 118.70 126.11 2jya s GLU 71 Ca 1.00 2.37 -0.01 0.00 -0.15 0.00 0.00 54.97 58.18 2jya s GLU 71 Cb -0.32 -3.10 -0.02 0.00 -0.44 0.00 0.00 34.13 30.24 2jya s GLU 71 CO 0.35 -0.50 -0.02 1.52 0.95 0.00 0.00 175.26 177.56 2jya s TYR 72 N 0.25 0.31 -0.22 4.83 1.13 -1.26 -0.89 117.35 121.49 2jya s TYR 72 Ca 0.62 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 55.64 2jya s TYR 72 Cb -0.43 -0.23 0.03 0.00 -1.10 0.00 0.00 41.96 40.22 2jya s TYR 72 CO 0.41 -0.25 -0.13 0.50 -2.51 0.00 0.00 175.55 173.57 2jya s ARG 73 N -2.11 2.81 0.03 -3.49 6.06 -0.61 -4.95 118.95 116.68 2jya s ARG 73 Ca -0.10 -0.97 -0.28 0.00 -2.50 0.00 0.00 55.73 51.88 2jya s ARG 73 Cb -0.05 -2.78 -0.04 0.00 0.06 0.00 0.00 34.95 32.13 2jya s ARG 73 CO -0.03 -0.34 0.88 0.14 -2.50 0.00 0.00 175.30 173.44 2jya s VAL 74 N 1.27 4.77 -0.08 7.11 -7.23 -1.26 -1.50 120.40 123.48 2jya s VAL 74 Ca 0.01 1.85 0.02 0.00 -1.81 0.00 0.00 61.98 62.05 2jya s VAL 74 Cb -0.16 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.54 2jya s VAL 74 CO -0.08 0.27 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.20 2jya s ILE 75 N 0.44 3.01 0.68 -0.62 1.09 0.55 -4.95 121.20 121.40 2jya s ILE 75 Ca 0.45 -0.72 -0.16 0.00 -1.10 0.00 0.00 60.65 59.12 2jya s ILE 75 Cb -0.21 -2.21 0.01 0.00 -1.06 0.00 0.00 42.46 39.00 2jya s ILE 75 CO 0.26 0.57 1.21 -0.76 -0.10 0.00 0.00 174.94 176.11 2jya s LEU 76 N -0.31 3.44 0.89 2.97 1.43 -1.26 -4.22 118.68 121.62 2jya s LEU 76 Ca 0.03 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 2jya s LEU 76 Cb -0.13 -4.59 0.13 0.00 0.03 0.00 0.00 46.19 41.63 2jya s LEU 76 CO 0.03 -2.03 1.10 -2.16 0.23 0.00 0.00 176.35 173.52 2jya s PRO 77 N -3.71 1.25 0.50 1.29 0.04 -1.26 -4.49 135.00 128.63 2jya s PRO 77 Ca 0.76 1.13 0.15 0.00 0.04 0.00 0.00 61.00 63.08 2jya s PRO 77 Cb -0.30 -1.78 1.22 0.00 0.04 0.00 0.00 34.50 33.67 2jya s PRO 77 CO 0.41 -2.33 2.13 1.57 0.04 0.00 0.00 177.00 178.82 2jya h LYS 78 N -1.63 0.08 -0.53 4.56 2.10 -1.57 -1.92 116.57 117.65 2jya h LYS 78 Ca -0.47 -0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 57.88 2jya h LYS 78 Cb 1.27 -0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 32.41 2jya h LYS 78 CO 0.49 0.05 0.08 -0.85 -2.00 0.00 0.00 179.45 177.22 2jya n GLU 79 N -4.53 2.02 0.00 0.07 0.00 -1.26 -5.06 120.64 111.88 2jya n GLU 79 Ca -0.02 -3.20 0.01 0.00 0.00 0.00 0.00 57.16 53.95 2jya n GLU 79 Cb 0.10 -1.93 0.04 0.00 0.00 0.00 0.00 31.44 29.66 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13