#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 0.28 0.06 7.83 0.15 -1.26 -2.77 113.70 117.99 2jya s SER 2 Ca 0.00 -1.24 -0.27 0.00 0.70 0.00 0.00 55.95 55.15 2jya s SER 2 Cb 0.00 0.31 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 2jya s SER 2 CO 0.00 -0.75 0.67 0.00 1.20 0.00 0.00 173.24 174.36 2jya s ALA 3 N -4.07 -1.69 -0.16 5.45 0.00 0.53 -1.02 121.76 120.79 2jya s ALA 3 Ca 0.27 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2jya s ALA 3 Cb 0.07 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2jya s ALA 3 CO 0.04 -0.61 -0.09 -1.59 0.00 0.00 0.00 175.76 173.51 2jya s LYS 4 N -2.71 3.40 -0.19 0.00 -2.85 -0.04 -1.06 119.74 116.29 2jya s LYS 4 Ca -0.03 -0.65 -0.08 0.00 -1.00 0.00 0.00 55.97 54.21 2jya s LYS 4 Cb -0.01 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.94 2jya s LYS 4 CO -0.04 0.07 0.07 0.42 0.10 0.00 0.00 175.35 175.97 2jya s ILE 5 N 0.75 4.87 0.35 3.79 1.01 -0.05 -1.65 121.20 130.28 2jya s ILE 5 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 2jya s ILE 5 Cb -0.15 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.15 2jya s ILE 5 CO 0.02 0.45 0.59 0.00 0.00 0.00 0.00 174.94 176.00 2jya n TYR 6 N 3.58 -1.82 -3.51 3.97 4.11 -0.82 -0.60 117.16 122.07 2jya n TYR 6 Ca -0.16 -1.99 -0.27 0.00 -0.00 0.00 0.00 57.90 55.48 2jya n TYR 6 Cb 0.52 0.68 -0.14 0.00 -0.00 0.00 0.00 39.34 40.41 2jya n TYR 6 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 2jya s ARG 7 N -2.44 0.24 0.06 -3.48 3.52 -1.26 -0.50 118.95 115.10 2jya s ARG 7 Ca 0.21 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 55.00 2jya s ARG 7 Cb -0.03 -1.07 -0.08 0.00 -1.56 0.00 0.00 34.95 32.22 2jya s ARG 7 CO 0.16 -1.03 1.55 -1.25 -0.81 0.00 0.00 175.30 173.91 2jya s PRO 8 N 2.09 4.23 0.30 5.12 0.04 -1.26 -4.57 135.00 140.95 2jya s PRO 8 Ca 0.10 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2jya s PRO 8 Cb -0.16 -3.52 0.46 0.00 0.04 0.00 0.00 34.50 31.32 2jya s PRO 8 CO -0.34 -0.65 1.84 0.00 0.04 0.00 0.00 177.00 177.90 2jya h ALA 9 N 7.91 1.27 0.00 8.56 0.00 -2.00 -1.79 119.26 133.21 2jya h ALA 9 Ca -0.41 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 2jya h ALA 9 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2jya h ALA 9 CO 0.91 0.51 -0.52 1.57 0.00 0.00 0.00 179.25 181.72 2jya h LYS 10 N 0.72 0.00 0.00 0.00 2.10 -1.97 -3.45 116.57 113.96 2jya h LYS 10 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2jya h LYS 10 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2jya h LYS 10 CO 0.00 0.52 0.00 2.41 -2.00 0.00 0.00 179.45 180.38 2jya n THR 11 N -3.78 0.00 -1.83 0.07 -1.04 -0.67 -4.46 114.28 102.56 2jya n THR 11 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 2jya n THR 11 Cb 0.56 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.04 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jya s ALA 12 N -0.45 3.72 -0.17 2.41 0.00 -1.26 -4.89 121.76 121.12 2jya s ALA 12 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2jya s ALA 12 Cb 0.00 -3.73 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 2jya s ALA 12 CO 0.00 -1.16 -0.16 -1.33 0.00 0.00 0.00 175.76 173.11 2jya n MET 13 N 5.66 0.43 -3.08 0.00 0.00 -1.26 -4.90 117.12 113.97 2jya n MET 13 Ca 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 57.70 57.97 2jya n MET 13 Cb 0.39 -1.34 -0.00 0.00 0.00 0.00 0.00 33.22 32.27 2jya n MET 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2jya s GLN 14 N -2.35 0.86 0.00 0.03 0.74 -1.26 -4.99 119.66 112.69 2jya s GLN 14 Ca -0.23 -0.45 0.00 0.00 0.05 0.00 0.00 55.36 54.73 2jya s GLN 14 Cb 0.06 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.23 2jya s GLN 14 CO 0.40 -1.18 0.00 0.45 -0.55 0.00 0.00 175.29 174.40 2jya n SER 15 N 4.02 0.00 -1.27 6.67 2.88 -1.26 -5.06 113.62 119.60 2jya n SER 15 Ca 0.13 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 2jya n SER 15 Cb 0.57 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.04 2jya n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jya n GLY 16 N -0.66 0.42 3.91 0.46 0.00 -1.26 -5.08 105.19 102.97 2jya n GLY 16 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2jya n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jya s THR 17 N -3.05 3.46 0.75 2.61 -4.23 -1.26 -5.12 115.64 108.79 2jya s THR 17 Ca 0.02 -1.22 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 2jya s THR 17 Cb -0.01 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.68 2jya s THR 17 CO 0.11 -0.12 1.08 0.00 -0.54 0.00 0.00 174.62 175.15 2jya s ALA 18 N -2.31 2.41 -1.28 3.99 0.00 -1.26 -4.57 121.76 118.75 2jya s ALA 18 Ca 0.45 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 2jya s ALA 18 Cb -0.07 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.86 2jya s ALA 18 CO 0.29 -1.56 1.85 1.63 0.00 0.00 0.00 175.76 177.97 2jya n LYS 19 N -3.37 2.77 0.06 0.00 4.01 -1.26 -4.63 118.16 115.74 2jya n LYS 19 Ca 0.08 -2.97 -0.03 0.00 -0.51 0.00 0.00 58.31 54.88 2jya n LYS 19 Cb 0.53 -3.49 -0.08 0.00 -0.51 0.00 0.00 35.03 31.48 2jya n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jya h THR 20 N 5.44 0.98 -4.78 -0.18 1.03 -1.88 -3.49 112.91 110.02 2jya h THR 20 Ca 0.42 -2.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.25 2jya h THR 20 Cb 0.84 2.42 -0.05 0.00 -1.07 0.00 0.00 68.15 70.30 2jya h THR 20 CO 1.49 0.56 -1.10 0.59 -0.01 0.00 0.00 175.52 177.05 2jya n ASN 21 N -3.13 -4.16 -4.50 0.00 5.03 -1.26 -5.08 115.26 102.16 2jya n ASN 21 Ca -0.05 1.21 -0.31 0.00 0.87 0.00 0.00 54.58 56.30 2jya n ASN 21 Cb 0.88 -4.72 -0.12 0.00 -1.02 0.00 0.00 39.78 34.80 2jya n ASN 21 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2jya s VAL 22 N -1.03 2.99 -0.05 2.41 0.11 -1.26 -5.02 120.40 118.55 2jya s VAL 22 Ca -0.12 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.44 2jya s VAL 22 Cb 0.01 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.52 2jya s VAL 22 CO 0.68 0.27 1.17 0.26 -3.33 0.00 0.00 175.10 174.16 2jya s TRP 23 N -1.01 3.26 -0.12 1.54 0.52 -0.63 -4.21 118.94 118.30 2jya s TRP 23 Ca 0.16 1.27 -0.06 0.00 0.02 0.00 0.00 56.10 57.50 2jya s TRP 23 Cb -0.11 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.79 2jya s TRP 23 CO 0.08 -1.16 0.10 0.08 0.02 0.00 0.00 176.95 176.06 2jya s VAL 24 N 2.06 5.15 -0.33 4.03 1.01 0.35 -0.79 120.40 131.88 2jya s VAL 24 Ca 0.55 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.60 2jya s VAL 24 Cb -0.24 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2jya s VAL 24 CO 0.22 0.60 0.04 -0.22 0.00 0.00 0.00 175.10 175.74 2jya s LEU 25 N -0.88 4.29 -0.15 3.92 2.96 -0.42 -1.95 118.68 126.45 2jya s LEU 25 Ca 0.14 -1.62 -0.06 0.00 -0.22 0.00 0.00 54.13 52.37 2jya s LEU 25 Cb -0.12 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2jya s LEU 25 CO 0.03 -0.33 0.05 -0.70 -1.32 0.00 0.00 176.35 174.08 2jya s GLU 26 N 1.14 3.68 -0.00 1.98 2.12 -0.66 -1.27 118.70 125.70 2jya s GLU 26 Ca 0.00 -0.34 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 2jya s GLU 26 Cb -0.20 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2jya s GLU 26 CO -0.04 0.43 0.15 -0.59 -0.54 0.00 0.00 175.26 174.67 2jya s PHE 27 N -0.08 0.02 -0.76 5.30 -0.71 -0.56 -0.86 117.98 120.33 2jya s PHE 27 Ca 0.06 -0.09 -0.26 0.00 -1.04 0.00 0.00 56.93 55.61 2jya s PHE 27 Cb -0.12 -0.04 -0.13 0.00 -1.21 0.00 0.00 43.02 41.52 2jya s PHE 27 CO 0.01 -0.28 2.42 -0.25 -1.34 0.00 0.00 175.22 175.77 2jya n ASP 28 N 1.50 1.82 -4.74 1.98 9.92 -0.19 -2.53 116.55 124.31 2jya n ASP 28 Ca -0.22 -1.36 -0.41 0.00 -0.53 0.00 0.00 54.79 52.27 2jya n ASP 28 Cb 0.56 -1.64 -0.04 0.00 -0.64 0.00 0.00 41.12 39.36 2jya n ASP 28 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jya s ALA 29 N 14.33 3.42 -0.79 2.24 0.00 -0.75 -4.21 121.76 135.99 2jya s ALA 29 Ca 0.94 0.92 0.19 0.00 0.00 0.00 0.00 51.96 54.01 2jya s ALA 29 Cb -0.15 -3.38 0.79 0.00 0.00 0.00 0.00 23.12 20.38 2jya s ALA 29 CO 0.11 -0.29 1.59 -0.85 0.00 0.00 0.00 175.76 176.32 2jya n GLU 30 N 2.05 0.08 -0.27 0.00 0.00 -1.26 -3.77 120.64 117.47 2jya n GLU 30 Ca 0.02 0.31 -0.06 0.00 0.00 0.00 0.00 57.16 57.43 2jya n GLU 30 Cb 0.45 -1.65 -0.03 0.00 0.00 0.00 0.00 31.44 30.21 2jya n GLU 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2jya n VAL 31 N -1.81 0.00 -0.88 3.84 3.14 -1.26 -4.86 118.33 116.49 2jya n VAL 31 Ca 0.03 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jya n VAL 31 Cb 0.21 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 2jya n VAL 31 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2jya n PRO 32 N 1.33 1.49 0.12 1.45 -0.04 -1.26 -3.79 135.00 134.30 2jya n PRO 32 Ca 0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2jya n PRO 32 Cb 0.01 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 33.87 2jya n PRO 32 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2jya h ARG 33 N 0.00 0.24 -5.86 0.54 -0.00 -1.96 -3.39 114.38 103.94 2jya h ARG 33 Ca 0.00 -0.05 -0.46 0.00 -0.00 0.00 0.00 59.98 59.47 2jya h ARG 33 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 29.97 29.86 2jya h ARG 33 CO 0.00 0.36 1.22 0.15 -0.00 0.00 0.00 179.97 181.70 2jya s LYS 34 N -4.76 3.10 0.00 0.08 -0.14 -1.26 -4.87 119.74 111.88 2jya s LYS 34 Ca -0.06 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 2jya s LYS 34 Cb 0.16 -5.25 0.00 0.00 -1.68 0.00 0.00 37.83 31.06 2jya s LYS 34 CO 0.73 -2.87 0.00 0.44 -0.76 0.00 0.00 175.35 172.89 2jya n ILE 35 N 7.33 0.00 -1.66 2.17 -5.35 -1.26 -5.05 119.36 115.54 2jya n ILE 35 Ca 0.39 0.00 -0.51 0.00 -0.27 0.00 0.00 62.75 62.36 2jya n ILE 35 Cb 0.48 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 2jya n ILE 35 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2jya n ASP 36 N -1.04 2.66 0.22 7.28 9.92 -1.26 -4.85 116.55 129.48 2jya n ASP 36 Ca 0.00 1.06 0.14 0.00 -0.53 0.00 0.00 54.79 55.46 2jya n ASP 36 Cb 0.00 -1.28 0.73 0.00 -0.64 0.00 0.00 41.12 39.93 2jya n ASP 36 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2jya h PRO 37 N 6.78 0.00 -0.01 -0.24 0.13 -1.99 -1.51 132.00 135.15 2jya h PRO 37 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jya h PRO 37 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jya h PRO 37 CO 0.89 0.00 -0.02 0.82 -0.23 0.00 0.00 178.00 179.46 2jya h ILE 38 N 0.00 1.43 -3.03 -3.56 1.08 -2.03 -3.46 117.51 107.95 2jya h ILE 38 Ca 0.00 -1.32 -0.62 0.00 -0.39 0.00 0.00 64.86 62.54 2jya h ILE 38 Cb 0.13 2.29 -0.11 0.00 -3.07 0.00 0.00 36.82 36.06 2jya h ILE 38 CO 0.00 0.35 -0.66 0.00 -0.69 0.00 0.00 178.15 177.14 2jya s MET 39 N -4.00 2.43 0.00 2.37 0.23 -0.57 -4.70 119.30 115.06 2jya s MET 39 Ca -0.16 -1.03 0.00 0.00 -1.03 0.00 0.00 55.69 53.47 2jya s MET 39 Cb 0.01 -2.40 0.00 0.00 -1.53 0.00 0.00 34.83 30.91 2jya s MET 39 CO 0.69 0.48 0.00 0.41 -2.03 0.00 0.00 175.02 174.56 2jya n GLY 40 N 0.08 2.39 0.70 3.16 0.00 -1.26 -4.56 105.19 105.70 2jya n GLY 40 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2jya n GLY 40 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jya n TYR 41 N -2.00 0.35 -1.08 1.61 4.01 -1.26 -4.64 117.16 114.15 2jya n TYR 41 Ca 0.00 -0.17 -0.31 0.00 -0.16 0.00 0.00 57.90 57.25 2jya n TYR 41 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.15 2jya n TYR 41 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jya s THR 42 N -1.65 2.91 0.26 -0.72 -4.23 -1.26 -4.96 115.64 105.99 2jya s THR 42 Ca 0.32 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 2jya s THR 42 Cb 0.17 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.64 2jya s THR 42 CO 0.25 -0.39 1.90 -1.28 -0.54 0.00 0.00 174.62 174.56 2jya h SER 43 N -1.36 1.08 -2.90 3.99 0.87 -2.05 -3.19 113.55 109.99 2jya h SER 43 Ca -0.43 -0.01 -0.74 0.00 -1.23 0.00 0.00 61.79 59.38 2jya h SER 43 Cb 1.24 -0.24 -0.21 0.00 -0.44 0.00 0.00 62.40 62.75 2jya h SER 43 CO 0.48 0.73 0.68 -0.94 -0.53 0.00 0.00 176.83 177.25 2jya s SER 44 N -5.98 6.84 -0.19 6.23 1.04 -1.26 -5.02 113.70 115.35 2jya s SER 44 Ca -0.13 -2.60 -0.09 0.00 0.48 0.00 0.00 55.95 53.61 2jya s SER 44 Cb 0.19 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.94 2jya s SER 44 CO 0.82 -0.77 0.11 -0.94 0.98 0.00 0.00 173.24 173.44 2jya s SER 45 N 2.78 6.03 0.04 7.02 1.04 -1.21 -4.99 113.70 124.40 2jya s SER 45 Ca 0.30 0.19 -0.23 0.00 0.48 0.00 0.00 55.95 56.69 2jya s SER 45 Cb -0.07 -2.05 -0.06 0.00 0.10 0.00 0.00 66.02 63.95 2jya s SER 45 CO -0.07 0.18 0.69 -0.62 0.98 0.00 0.00 173.24 174.39 2jya s ASP 46 N 0.33 7.13 1.11 7.02 2.15 -1.26 -5.08 116.67 128.07 2jya s ASP 46 Ca 0.07 1.34 -0.11 0.00 0.43 0.00 0.00 52.55 54.28 2jya s ASP 46 Cb -0.11 -2.42 0.16 0.00 -0.30 0.00 0.00 42.92 40.24 2jya s ASP 46 CO -0.01 0.09 0.62 0.23 -0.17 0.00 0.00 175.17 175.93 2jya n MET 47 N 2.56 -1.93 -1.81 4.34 2.81 -1.26 -4.99 117.12 116.84 2jya n MET 47 Ca -0.05 -0.99 -0.39 0.00 -1.81 0.00 0.00 57.70 54.46 2jya n MET 47 Cb 0.50 -0.87 0.02 0.00 -0.71 0.00 0.00 33.22 32.16 2jya n MET 47 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2jya s LYS 48 N -4.40 3.57 0.35 0.03 0.00 -1.25 -5.01 119.74 113.03 2jya s LYS 48 Ca 0.39 2.35 -0.11 0.00 0.00 0.00 0.00 55.97 58.60 2jya s LYS 48 Cb -0.03 -2.56 0.03 0.00 0.00 0.00 0.00 37.83 35.27 2jya s LYS 48 CO 0.30 -0.89 0.65 1.14 0.00 0.00 0.00 175.35 176.55 2jya s GLN 49 N -2.55 2.05 -0.62 1.78 -2.07 -1.25 -4.98 119.66 112.02 2jya s GLN 49 Ca 0.63 -1.51 -0.24 0.00 -1.82 0.00 0.00 55.36 52.42 2jya s GLN 49 Cb -0.42 0.55 0.05 0.00 -1.09 0.00 0.00 33.01 32.09 2jya s GLN 49 CO 0.54 -0.92 1.02 -0.65 -1.32 0.00 0.00 175.29 173.96 2jya s GLN 50 N -2.79 3.25 0.40 9.60 1.11 -1.26 -1.80 119.66 128.17 2jya s GLN 50 Ca 0.21 -0.40 0.08 0.00 0.01 0.00 0.00 55.36 55.25 2jya s GLN 50 Cb -0.03 -4.13 0.00 0.00 -1.01 0.00 0.00 33.01 27.85 2jya s GLN 50 CO 0.14 -1.71 0.54 0.14 0.01 0.00 0.00 175.29 174.41 2jya s VAL 51 N 4.34 3.26 -0.00 1.09 -7.23 -1.05 -4.83 120.40 115.98 2jya s VAL 51 Ca 0.29 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.39 2jya s VAL 51 Cb -0.13 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2jya s VAL 51 CO 0.16 -0.04 0.12 -1.59 -0.31 0.00 0.00 175.10 173.44 2jya s LYS 52 N -4.30 0.42 0.21 4.82 -2.85 -1.26 -1.49 119.74 115.28 2jya s LYS 52 Ca 0.52 -0.32 0.11 0.00 -1.00 0.00 0.00 55.97 55.28 2jya s LYS 52 Cb -0.10 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 2jya s LYS 52 CO 0.32 -0.09 -0.22 -0.51 0.10 0.00 0.00 175.35 174.95 2jya s LEU 53 N -1.16 2.47 -0.10 2.77 1.02 -0.39 -4.97 118.68 118.31 2jya s LEU 53 Ca -0.12 -0.90 0.03 0.00 0.02 0.00 0.00 54.13 53.15 2jya s LEU 53 Cb -0.07 -1.09 -0.01 0.00 0.02 0.00 0.00 46.19 45.05 2jya s LEU 53 CO 0.01 0.07 -0.21 0.42 0.02 0.00 0.00 176.35 176.67 2jya s THR 54 N -1.93 2.37 0.10 5.49 -4.23 -1.26 -1.30 115.64 114.89 2jya s THR 54 Ca 0.22 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 2jya s THR 54 Cb -0.07 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 2jya s THR 54 CO 0.10 0.55 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.23 2jya s PHE 55 N 0.28 1.35 0.28 3.99 0.40 0.03 -4.98 117.98 119.32 2jya s PHE 55 Ca -0.15 -0.53 0.11 0.00 -0.60 0.00 0.00 56.93 55.77 2jya s PHE 55 Cb -0.17 -0.72 0.39 0.00 0.51 0.00 0.00 43.02 43.03 2jya s PHE 55 CO 0.07 0.11 1.63 0.93 0.70 0.00 0.00 175.22 178.67 2jya h GLU 56 N 3.78 0.00 -4.66 0.44 4.39 -1.98 -1.66 114.58 114.89 2jya h GLU 56 Ca -0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.05 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 0.47 0.59 -0.67 0.95 -1.16 0.00 0.00 179.01 179.19 2jya s THR 57 N -3.65 0.53 0.20 1.13 -4.23 -1.26 -4.70 115.64 103.66 2jya s THR 57 Ca -0.01 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 2jya s THR 57 Cb 0.13 -1.98 0.11 0.00 1.34 0.00 0.00 72.50 72.10 2jya s THR 57 CO 0.76 -0.59 1.81 -0.61 -0.54 0.00 0.00 174.62 175.45 2jya h GLN 58 N 2.81 0.63 -0.95 3.99 4.15 -1.96 -3.10 115.11 120.69 2jya h GLN 58 Ca -0.36 -0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.10 2jya h GLN 58 Cb 1.19 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.67 2jya h GLN 58 CO 0.63 0.42 0.61 0.93 -1.93 0.00 0.00 178.83 179.48 2jya h GLU 59 N 0.65 1.00 -0.73 1.69 5.08 -1.98 0.77 114.58 121.06 2jya h GLU 59 Ca 0.26 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2jya h GLU 59 Cb 0.12 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2jya h GLU 59 CO -0.15 0.66 0.22 1.96 -1.00 0.00 0.00 179.01 180.70 2jya h GLN 60 N 1.03 1.13 -0.10 2.33 4.20 -1.96 -2.14 115.11 119.61 2jya h GLN 60 Ca 0.42 -0.24 -0.24 0.00 0.06 0.00 0.00 58.65 58.65 2jya h GLN 60 Cb 0.28 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.92 2jya h GLN 60 CO -0.18 0.97 -0.88 0.00 -0.67 0.00 0.00 178.83 178.07 2jya h ALA 61 N 1.15 0.23 0.04 3.87 0.00 -1.08 -2.94 119.26 120.53 2jya h ALA 61 Ca 0.23 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2jya h ALA 61 Cb 0.31 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jya h ALA 61 CO -0.01 0.68 -0.80 1.05 0.00 0.00 0.00 179.25 180.17 2jya h GLU 62 N 0.49 0.47 0.00 0.00 4.11 -0.95 -2.55 114.58 116.14 2jya h GLU 62 Ca -0.08 -0.56 -0.07 0.00 0.07 0.00 0.00 59.36 58.72 2jya h GLU 62 Cb 1.52 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2jya h GLU 62 CO 0.18 1.20 -0.32 0.00 0.07 0.00 0.00 179.01 180.14 2jya h ALA 63 N 0.29 1.19 0.35 1.06 0.00 -1.52 -0.09 119.26 120.53 2jya h ALA 63 Ca -0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2jya h ALA 63 Cb 1.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2jya h ALA 63 CO 0.16 0.40 -0.17 -0.92 0.00 0.00 0.00 179.25 178.72 2jya h TYR 64 N 0.00 -0.43 -0.36 0.00 3.20 -1.51 -2.05 116.97 115.82 2jya h TYR 64 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2jya h TYR 64 Cb 0.70 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.06 2jya h TYR 64 CO 0.00 -0.15 0.05 0.00 -1.64 0.00 0.00 178.16 176.42 2jya h ALA 65 N -0.11 0.37 -0.59 1.82 0.00 -1.20 -2.34 119.26 117.20 2jya h ALA 65 Ca -0.05 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jya h ALA 65 Cb 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2jya h ALA 65 CO 0.08 -0.35 0.36 1.96 0.00 0.00 0.00 179.25 181.30 2jya h GLN 66 N 0.17 0.80 0.00 0.00 4.20 -1.06 0.47 115.11 119.68 2jya h GLN 66 Ca 0.17 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2jya h GLN 66 Cb 0.21 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2jya h GLN 66 CO -0.24 0.56 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.23 2jya h ARG 67 N 0.80 0.00 0.00 1.46 2.43 -1.15 -1.95 114.38 115.97 2jya h ARG 67 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2jya h ARG 67 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2jya h ARG 67 CO -0.04 0.16 -0.94 1.63 -1.51 0.00 0.00 179.97 179.27 2jya n LYS 68 N -4.07 0.22 -0.49 0.20 4.76 -0.83 -4.97 118.16 112.98 2jya n LYS 68 Ca -0.02 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2jya n LYS 68 Cb 0.24 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 2jya n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jya n GLY 69 N 1.40 0.87 3.60 0.72 0.00 0.49 -5.02 105.19 107.25 2jya n GLY 69 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.04 3.20 0.29 -0.61 1.01 0.13 -4.86 121.20 117.32 2jya s ILE 70 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.56 2jya s ILE 70 Cb 0.00 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 2jya s ILE 70 CO 0.00 -0.15 1.39 -1.83 0.00 0.00 0.00 174.94 174.35 2jya s GLU 71 N 5.96 4.29 0.02 2.79 -1.05 -1.11 -4.08 118.70 125.52 2jya s GLU 71 Ca 0.92 2.28 -0.01 0.00 -0.15 0.00 0.00 54.97 58.02 2jya s GLU 71 Cb -0.30 -3.09 -0.02 0.00 -0.44 0.00 0.00 34.13 30.29 2jya s GLU 71 CO 0.35 -0.34 -0.01 1.52 0.95 0.00 0.00 175.26 177.73 2jya s TYR 72 N -0.52 0.23 -0.33 4.83 1.13 -1.26 -0.35 117.35 121.08 2jya s TYR 72 Ca 0.55 -0.48 -0.07 0.00 -1.41 0.00 0.00 57.07 55.66 2jya s TYR 72 Cb -0.41 -0.17 0.03 0.00 -1.10 0.00 0.00 41.96 40.30 2jya s TYR 72 CO 0.48 -0.19 0.11 1.03 -2.51 0.00 0.00 175.55 174.47 2jya s ARG 73 N -1.42 2.80 -0.27 -3.49 1.81 -0.22 -4.95 118.95 113.21 2jya s ARG 73 Ca -0.16 -1.06 -0.29 0.00 -1.72 0.00 0.00 55.73 52.50 2jya s ARG 73 Cb -0.10 -3.46 0.01 0.00 -0.45 0.00 0.00 34.95 30.95 2jya s ARG 73 CO -0.01 -0.60 1.08 0.08 -0.68 0.00 0.00 175.30 175.17 2jya s VAL 74 N 1.45 4.57 -0.37 3.52 1.01 -1.26 -0.87 120.40 128.45 2jya s VAL 74 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2jya s VAL 74 Cb -0.19 -4.34 0.11 0.00 0.00 0.00 0.00 36.38 31.96 2jya s VAL 74 CO 0.03 -0.32 0.11 -0.63 0.00 0.00 0.00 175.10 174.29 2jya s ILE 75 N 3.46 2.02 0.47 2.22 1.01 0.23 -4.98 121.20 125.63 2jya s ILE 75 Ca 0.46 -2.37 -0.23 0.00 0.00 0.00 0.00 60.65 58.51 2jya s ILE 75 Cb -0.14 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 2jya s ILE 75 CO 0.11 -0.67 1.19 -0.76 0.00 0.00 0.00 174.94 174.81 2jya s LEU 76 N 0.78 3.99 1.12 2.97 1.43 -1.26 -4.05 118.68 123.66 2jya s LEU 76 Ca 0.12 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.42 2jya s LEU 76 Cb -0.20 -4.25 0.26 0.00 0.03 0.00 0.00 46.19 42.03 2jya s LEU 76 CO -0.09 -1.01 1.18 -2.16 0.23 0.00 0.00 176.35 174.50 2jya s PRO 77 N -2.73 -0.60 0.54 1.29 0.04 -1.26 -4.89 135.00 127.39 2jya s PRO 77 Ca 0.65 -0.19 0.30 0.00 0.04 0.00 0.00 61.00 61.80 2jya s PRO 77 Cb -0.30 -1.68 1.54 0.00 0.04 0.00 0.00 34.50 34.10 2jya s PRO 77 CO 0.37 -3.28 2.09 1.57 0.04 0.00 0.00 177.00 177.79 2jya h LYS 78 N -2.27 0.00 0.00 4.56 5.09 -1.97 -2.19 116.57 119.79 2jya h LYS 78 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2jya h LYS 78 Cb 1.27 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.60 2jya h LYS 78 CO 0.35 0.09 -1.19 -0.85 -2.09 0.00 0.00 179.45 175.77 2jya n GLU 79 N -3.48 0.14 0.00 0.07 0.00 -1.26 -5.24 120.64 110.87 2jya n GLU 79 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 57.16 57.21 2jya n GLU 79 Cb 0.23 -1.51 0.63 0.00 0.00 0.00 0.00 31.44 30.80 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13