#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 3.59 -0.03 7.83 0.01 -1.26 -3.55 113.70 120.29 2jya s SER 2 Ca 0.00 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 2jya s SER 2 Cb 0.00 -1.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 2jya s SER 2 CO 0.00 0.23 0.12 0.00 0.41 0.00 0.00 173.24 174.00 2jya s ALA 3 N -0.04 3.74 -0.20 1.44 0.00 -0.16 -2.93 121.76 123.61 2jya s ALA 3 Ca -0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 2jya s ALA 3 Cb -0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 2jya s ALA 3 CO 0.04 0.69 0.01 -1.59 0.00 0.00 0.00 175.76 174.92 2jya s LYS 4 N -1.63 3.66 -0.23 0.00 -2.85 0.42 -1.31 119.74 117.80 2jya s LYS 4 Ca 0.22 -0.50 -0.09 0.00 -1.00 0.00 0.00 55.97 54.61 2jya s LYS 4 Cb -0.12 -3.12 -0.04 0.00 -2.06 0.00 0.00 37.83 32.49 2jya s LYS 4 CO 0.13 0.03 0.11 0.42 0.10 0.00 0.00 175.35 176.13 2jya s ILE 5 N 0.98 4.81 0.32 3.79 1.01 -0.41 -1.95 121.20 129.74 2jya s ILE 5 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 2jya s ILE 5 Cb -0.14 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 2jya s ILE 5 CO 0.02 0.36 0.46 -0.72 0.00 0.00 0.00 174.94 175.06 2jya s TYR 6 N 1.19 0.91 -0.31 3.97 1.13 -0.95 -0.80 117.35 122.50 2jya s TYR 6 Ca 0.06 -1.18 -0.02 0.00 -1.41 0.00 0.00 57.07 54.51 2jya s TYR 6 Cb -0.14 -0.04 0.12 0.00 -1.10 0.00 0.00 41.96 40.79 2jya s TYR 6 CO 0.04 -1.08 0.19 0.50 -2.51 0.00 0.00 175.55 172.69 2jya s ARG 7 N -3.30 0.31 0.67 -3.49 3.52 -1.26 -0.51 118.95 114.89 2jya s ARG 7 Ca 0.29 -0.64 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 2jya s ARG 7 Cb -0.00 -1.07 0.00 0.00 -1.56 0.00 0.00 34.95 32.32 2jya s ARG 7 CO 0.17 -1.07 1.07 -1.25 -0.81 0.00 0.00 175.30 173.42 2jya s PRO 8 N 1.91 2.91 0.49 5.12 0.04 -1.26 -4.37 135.00 139.83 2jya s PRO 8 Ca 0.11 1.13 0.17 0.00 0.04 0.00 0.00 61.00 62.45 2jya s PRO 8 Cb -0.17 -1.98 1.19 0.00 0.04 0.00 0.00 34.50 33.58 2jya s PRO 8 CO -0.27 -1.13 2.06 0.00 0.04 0.00 0.00 177.00 177.70 2jya h ALA 9 N -0.34 2.09 -3.24 8.56 0.00 -1.99 -3.38 119.26 120.95 2jya h ALA 9 Ca -0.45 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 53.99 2jya h ALA 9 Cb 1.22 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2jya h ALA 9 CO 0.56 -0.16 -0.76 -1.59 0.00 0.00 0.00 179.25 177.30 2jya s LYS 10 N -5.19 0.51 0.38 0.00 -2.85 -1.26 -4.99 119.74 106.35 2jya s LYS 10 Ca -0.06 -0.04 0.21 0.00 -1.00 0.00 0.00 55.97 55.08 2jya s LYS 10 Cb 0.18 -1.34 0.59 0.00 -2.06 0.00 0.00 37.83 35.21 2jya s LYS 10 CO 0.71 -0.44 1.69 1.79 0.10 0.00 0.00 175.35 179.20 2jya h THR 11 N 6.40 0.64 -0.92 3.79 1.35 -1.86 -3.48 112.91 118.84 2jya h THR 11 Ca -0.18 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2jya h THR 11 Cb 1.13 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2jya h THR 11 CO 0.28 0.30 0.00 0.00 -0.25 0.00 0.00 175.52 175.85 2jya n ALA 12 N -2.22 0.00 -1.97 6.62 0.00 -1.26 -5.09 120.51 116.58 2jya n ALA 12 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2jya n ALA 12 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 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 0.89 3.39 -0.64 0.00 1.00 -1.26 -4.92 119.30 117.76 2jya s MET 13 Ca 0.00 1.53 0.04 0.00 0.00 0.00 0.00 55.69 57.26 2jya s MET 13 Cb 0.00 -4.19 0.34 0.00 0.00 0.00 0.00 34.83 30.98 2jya s MET 13 CO 0.00 -1.79 1.07 1.04 0.00 0.00 0.00 175.02 175.35 2jya n GLN 14 N 8.35 3.55 -3.59 2.03 1.13 -1.26 -4.89 117.38 122.71 2jya n GLN 14 Ca 0.23 -4.84 -0.18 0.00 -1.94 0.00 0.00 57.00 50.27 2jya n GLN 14 Cb 0.46 -2.27 -0.14 0.00 0.11 0.00 0.00 30.24 28.40 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 -3.19 1.12 -0.03 1.08 1.04 -1.26 -4.85 113.70 107.61 2jya s SER 15 Ca 0.48 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2jya s SER 15 Cb 0.27 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2jya s SER 15 CO -0.14 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.40 2jya n GLY 16 N 5.32 0.39 3.33 7.32 0.00 -1.26 -5.04 105.19 115.24 2jya n GLY 16 Ca -0.05 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 2jya n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jya s THR 17 N -2.01 0.00 0.24 2.61 -1.32 -1.26 -5.14 115.64 108.75 2jya s THR 17 Ca 0.00 -1.88 -0.31 0.00 -1.21 0.00 0.00 61.69 58.29 2jya s THR 17 Cb 0.00 -2.53 -0.11 0.00 -1.51 0.00 0.00 72.50 68.35 2jya s THR 17 CO 0.00 0.00 1.61 0.00 -2.21 0.00 0.00 174.62 174.02 2jya s ALA 18 N -3.49 3.80 -1.03 11.08 0.00 -1.26 -4.92 121.76 125.94 2jya s ALA 18 Ca 0.37 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 2jya s ALA 18 Cb 0.02 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 2jya s ALA 18 CO 0.23 -0.89 1.74 0.15 0.00 0.00 0.00 175.76 176.98 2jya s LYS 19 N 0.35 3.11 -0.46 0.00 -0.14 -1.26 -4.77 119.74 116.57 2jya s LYS 19 Ca 0.68 -0.92 0.04 0.00 -1.36 0.00 0.00 55.97 54.40 2jya s LYS 19 Cb -0.47 -5.26 0.63 0.00 -1.68 0.00 0.00 37.83 31.05 2jya s LYS 19 CO 0.39 -2.89 1.88 -2.37 -0.76 0.00 0.00 175.35 171.60 2jya n THR 20 N 7.32 3.19 -1.83 2.17 5.66 -1.26 -4.90 114.28 124.63 2jya n THR 20 Ca 0.39 -2.15 -0.35 0.00 -3.05 0.00 0.00 64.05 58.89 2jya n THR 20 Cb 0.48 -0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 68.67 2jya n THR 20 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2jya n ASN 21 N -1.12 3.15 -2.16 1.09 4.13 -1.26 -4.77 115.26 114.32 2jya n ASN 21 Ca 0.58 -2.72 -0.02 0.00 1.68 0.00 0.00 54.58 54.09 2jya n ASN 21 Cb 1.49 -1.55 -0.00 0.00 -1.54 0.00 0.00 39.78 38.17 2jya n ASN 21 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2jya n VAL 22 N 7.00 0.00 -2.99 2.41 0.24 -1.26 -5.04 118.33 118.68 2jya n VAL 22 Ca 0.47 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.34 62.23 2jya n VAL 22 Cb 0.44 0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 2jya n VAL 22 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2jya s TRP 23 N -1.09 3.66 -0.12 6.34 0.52 -0.39 -4.43 118.94 123.44 2jya s TRP 23 Ca 0.00 1.39 -0.06 0.00 0.02 0.00 0.00 56.10 57.45 2jya s TRP 23 Cb -0.00 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 2jya s TRP 23 CO 0.00 0.17 0.12 0.08 0.02 0.00 0.00 176.95 177.34 2jya s VAL 24 N 0.41 5.32 -0.33 4.03 1.01 0.33 -1.18 120.40 129.99 2jya s VAL 24 Ca 0.39 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2jya s VAL 24 Cb -0.19 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 32.95 2jya s VAL 24 CO 0.21 0.60 0.04 -0.22 0.00 0.00 0.00 175.10 175.74 2jya s LEU 25 N -0.89 4.40 -0.10 3.92 1.98 -0.25 -2.23 118.68 125.52 2jya s LEU 25 Ca 0.14 -1.74 -0.02 0.00 -2.89 0.00 0.00 54.13 49.62 2jya s LEU 25 Cb -0.12 -1.69 -0.03 0.00 0.66 0.00 0.00 46.19 45.01 2jya s LEU 25 CO 0.03 -0.35 -0.02 -0.70 -1.89 0.00 0.00 176.35 173.42 2jya s GLU 26 N 1.09 3.13 0.23 1.98 2.12 -0.82 -0.82 118.70 125.60 2jya s GLU 26 Ca 0.02 -0.45 0.09 0.00 0.36 0.00 0.00 54.97 54.99 2jya s GLU 26 Cb -0.20 -2.80 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 2jya s GLU 26 CO -0.05 0.58 -0.16 -0.59 -0.54 0.00 0.00 175.26 174.50 2jya s PHE 27 N -0.56 1.90 -0.74 5.30 -0.71 -0.91 -0.43 117.98 121.82 2jya s PHE 27 Ca 0.09 -0.49 -0.16 0.00 -1.04 0.00 0.00 56.93 55.33 2jya s PHE 27 Cb -0.12 -0.86 0.17 0.00 -1.21 0.00 0.00 43.02 41.00 2jya s PHE 27 CO 0.02 0.47 0.74 0.34 -1.34 0.00 0.00 175.22 175.45 2jya s ASP 28 N -3.34 6.54 0.29 1.98 2.15 -1.15 -3.44 116.67 119.70 2jya s ASP 28 Ca 0.24 -2.24 -0.30 0.00 0.43 0.00 0.00 52.55 50.69 2jya s ASP 28 Cb -0.02 -2.25 -0.12 0.00 -0.30 0.00 0.00 42.92 40.23 2jya s ASP 28 CO 0.09 -0.77 1.59 0.00 -0.17 0.00 0.00 175.17 175.91 2jya n ALA 29 N 4.90 2.51 -0.34 3.66 0.00 -1.25 -4.68 120.51 125.31 2jya n ALA 29 Ca 0.06 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.73 2jya n ALA 29 Cb 0.45 -2.46 0.09 0.00 0.00 0.00 0.00 19.45 17.54 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 2.20 1.73 -3.77 0.00 0.28 -1.26 -4.37 120.64 115.45 2jya n GLU 30 Ca 0.09 -1.71 -0.27 0.00 -0.16 0.00 0.00 57.16 55.11 2jya n GLU 30 Cb 0.36 -1.67 -0.17 0.00 1.43 0.00 0.00 31.44 31.40 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 -1.96 0.60 0.00 3.84 0.11 -1.26 -5.02 120.40 116.71 2jya s VAL 31 Ca 0.33 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2jya s VAL 31 Cb 0.27 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 2jya s VAL 31 CO 0.05 -0.08 0.00 -0.81 -3.33 0.00 0.00 175.10 170.93 2jya n PRO 32 N 5.03 2.00 -0.45 1.54 -0.04 -1.26 -2.78 135.00 139.04 2jya n PRO 32 Ca -0.09 0.00 0.42 0.00 -0.04 0.00 0.00 63.50 63.79 2jya n PRO 32 Cb 0.48 0.00 0.77 0.00 -0.04 0.00 0.00 33.50 34.70 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 0.00 -5.69 0.54 0.11 -1.48 -3.35 114.38 104.52 2jya h ARG 33 Ca 0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 2jya h ARG 33 Cb 0.00 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 2jya h ARG 33 CO 0.00 0.00 1.39 0.15 0.10 0.00 0.00 179.97 181.61 2jya s LYS 34 N -4.88 3.05 0.16 0.08 3.01 -1.26 -4.78 119.74 115.12 2jya s LYS 34 Ca -0.05 -1.27 0.06 0.00 -1.01 0.00 0.00 55.97 53.70 2jya s LYS 34 Cb 0.24 -5.31 -0.04 0.00 -1.01 0.00 0.00 37.83 31.70 2jya s LYS 34 CO 0.82 -3.20 -0.13 0.42 0.51 0.00 0.00 175.35 173.77 2jya s ILE 35 N 8.28 1.42 0.04 2.17 1.01 -1.26 -5.01 121.20 127.85 2jya s ILE 35 Ca 0.62 -2.05 -0.38 0.00 0.00 0.00 0.00 60.65 58.84 2jya s ILE 35 Cb -0.00 -1.86 -0.19 0.00 0.01 0.00 0.00 42.46 40.42 2jya s ILE 35 CO 0.07 -0.63 1.01 0.47 0.00 0.00 0.00 174.94 175.87 2jya n ASP 36 N -0.13 -0.01 0.31 3.58 9.92 -1.26 -4.43 116.55 124.53 2jya n ASP 36 Ca -0.10 1.15 0.19 0.00 -0.53 0.00 0.00 54.79 55.49 2jya n ASP 36 Cb 0.60 -0.96 1.00 0.00 -0.64 0.00 0.00 41.12 41.12 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 2.83 0.00 -0.70 -0.24 0.13 -1.98 0.36 132.00 132.39 2jya h PRO 37 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2jya h PRO 37 Cb 1.42 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.52 2jya h PRO 37 CO 0.65 0.00 0.20 0.82 -0.23 0.00 0.00 178.00 179.44 2jya h ILE 38 N 0.00 1.26 0.00 -3.56 1.08 -1.98 -3.35 117.51 110.95 2jya h ILE 38 Ca 0.00 -0.92 -0.06 0.00 -0.39 0.00 0.00 64.86 63.49 2jya h ILE 38 Cb 0.20 0.50 -0.13 0.00 -3.07 0.00 0.00 36.82 34.33 2jya h ILE 38 CO 0.00 0.36 -0.65 1.15 -0.69 0.00 0.00 178.15 178.32 2jya n MET 39 N -4.25 0.14 0.01 2.37 0.00 -0.35 -4.92 117.12 110.14 2jya n MET 39 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 57.70 56.23 2jya n MET 39 Cb 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 33.02 2jya n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jya n GLY 40 N 0.03 -0.01 3.55 3.17 0.00 0.11 -4.13 105.19 107.91 2jya n GLY 40 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2jya n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jya n TYR 41 N -3.12 1.43 0.00 1.61 9.36 -1.26 -1.93 117.16 123.24 2jya n TYR 41 Ca 0.00 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.33 2jya n TYR 41 Cb 0.37 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.45 2jya n TYR 41 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jya n THR 42 N 7.96 0.00 0.26 2.97 -2.24 -1.26 -4.58 114.28 117.39 2jya n THR 42 Ca 0.38 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 62.31 2jya n THR 42 Cb 0.52 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.26 2jya n THR 42 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jya h SER 43 N 0.00 0.00 -1.67 3.42 0.87 -1.86 -3.27 113.55 111.05 2jya h SER 43 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 2jya h SER 43 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.56 2jya h SER 43 CO 0.00 0.00 -1.11 -1.20 -0.53 0.00 0.00 176.83 173.99 2jya n SER 44 N -3.08 1.68 -1.64 6.23 7.64 -0.82 -4.92 113.62 118.71 2jya n SER 44 Ca 0.02 -3.03 -0.11 0.00 1.01 0.00 0.00 58.87 56.75 2jya n SER 44 Cb 0.38 -0.57 0.05 0.00 -1.01 0.00 0.00 64.21 63.05 2jya n SER 44 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jya n SER 45 N 0.06 4.78 -4.31 6.43 2.88 -1.23 -4.11 113.62 118.12 2jya n SER 45 Ca 0.21 -2.78 -0.16 0.00 -1.33 0.00 0.00 58.87 54.82 2jya n SER 45 Cb 0.68 -0.85 -0.10 0.00 -0.75 0.00 0.00 64.21 63.19 2jya n SER 45 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jya s ASP 46 N 0.33 1.55 -0.44 -3.46 1.11 -1.26 -4.93 116.67 109.56 2jya s ASP 46 Ca 0.23 -1.25 -0.26 0.00 0.18 0.00 0.00 52.55 51.45 2jya s ASP 46 Cb 0.19 0.07 0.02 0.00 1.07 0.00 0.00 42.92 44.27 2jya s ASP 46 CO 0.02 -0.58 0.97 0.00 1.18 0.00 0.00 175.17 176.76 2jya s MET 47 N -3.92 3.65 0.01 8.23 0.23 -1.26 -1.69 119.30 124.56 2jya s MET 47 Ca 0.30 0.35 0.00 0.00 -1.03 0.00 0.00 55.69 55.31 2jya s MET 47 Cb 0.06 -3.89 0.00 0.00 -1.53 0.00 0.00 34.83 29.47 2jya s MET 47 CO 0.09 -1.19 0.00 1.63 -2.03 0.00 0.00 175.02 173.52 2jya n LYS 48 N 7.21 -2.54 -2.93 3.16 5.02 -1.12 -4.93 118.16 122.03 2jya n LYS 48 Ca 0.08 2.10 -0.43 0.00 -2.02 0.00 0.00 58.31 58.03 2jya n LYS 48 Cb 0.48 -2.54 -0.04 0.00 -0.02 0.00 0.00 35.03 32.91 2jya n LYS 48 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2jya s GLN 49 N -1.35 3.15 -1.02 1.97 -2.07 -1.23 -4.86 119.66 114.25 2jya s GLN 49 Ca 0.00 -0.79 -0.23 0.00 -1.82 0.00 0.00 55.36 52.52 2jya s GLN 49 Cb 0.00 -4.18 0.02 0.00 -1.09 0.00 0.00 33.01 27.76 2jya s GLN 49 CO 0.00 -1.63 1.66 -0.65 -1.32 0.00 0.00 175.29 173.35 2jya s GLN 50 N 3.65 3.26 0.57 9.60 1.11 -1.26 -3.79 119.66 132.80 2jya s GLN 50 Ca 0.21 -0.97 -0.05 0.00 0.01 0.00 0.00 55.36 54.56 2jya s GLN 50 Cb -0.17 -5.28 0.00 0.00 -1.01 0.00 0.00 33.01 26.55 2jya s GLN 50 CO 0.12 -2.67 0.87 0.08 0.01 0.00 0.00 175.29 173.70 2jya s VAL 51 N 6.77 3.83 0.02 1.09 1.01 -1.22 -4.81 120.40 127.09 2jya s VAL 51 Ca 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2jya s VAL 51 Cb -0.02 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2jya s VAL 51 CO -0.04 -0.50 -0.05 -1.59 0.00 0.00 0.00 175.10 172.91 2jya s LYS 52 N -4.93 0.39 0.24 2.72 -2.85 -1.26 -2.15 119.74 111.89 2jya s LYS 52 Ca 0.53 -0.50 0.12 0.00 -1.00 0.00 0.00 55.97 55.11 2jya s LYS 52 Cb -0.10 -0.19 -0.05 0.00 -2.06 0.00 0.00 37.83 35.43 2jya s LYS 52 CO 0.45 0.03 -0.21 -0.51 0.10 0.00 0.00 175.35 175.21 2jya s LEU 53 N -1.03 2.55 -0.08 2.77 1.02 -0.00 -4.97 118.68 118.93 2jya s LEU 53 Ca -0.08 -0.93 0.04 0.00 0.02 0.00 0.00 54.13 53.18 2jya s LEU 53 Cb -0.07 -1.17 -0.00 0.00 0.02 0.00 0.00 46.19 44.97 2jya s LEU 53 CO -0.00 0.08 -0.22 0.42 0.02 0.00 0.00 176.35 176.65 2jya s THR 54 N -2.11 1.88 0.06 5.49 -4.23 -1.26 -1.09 115.64 114.38 2jya s THR 54 Ca 0.26 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 2jya s THR 54 Cb -0.06 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.13 2jya s THR 54 CO 0.13 0.52 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.20 2jya s PHE 55 N 0.25 1.45 0.24 3.99 0.40 -0.33 -5.00 117.98 118.98 2jya s PHE 55 Ca -0.14 -0.40 0.25 0.00 -0.60 0.00 0.00 56.93 56.05 2jya s PHE 55 Cb -0.16 -0.83 1.12 0.00 0.51 0.00 0.00 43.02 43.65 2jya s PHE 55 CO 0.07 0.09 1.92 0.93 0.70 0.00 0.00 175.22 178.92 2jya h GLU 56 N 4.59 0.00 -4.93 0.44 5.08 -1.97 -1.02 114.58 116.76 2jya h GLU 56 Ca -0.41 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.65 2jya h GLU 56 Cb 1.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2jya h GLU 56 CO 0.42 0.19 -0.70 0.95 -1.00 0.00 0.00 179.01 178.87 2jya s THR 57 N -3.84 1.00 0.23 1.13 -4.23 -1.26 -4.56 115.64 104.11 2jya s THR 57 Ca -0.01 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 2jya s THR 57 Cb 0.11 -1.84 0.22 0.00 1.34 0.00 0.00 72.50 72.33 2jya s THR 57 CO 0.62 -0.75 1.88 -0.61 -0.54 0.00 0.00 174.62 175.22 2jya h GLN 58 N 2.82 1.24 -0.99 3.99 -0.00 -1.95 -3.19 115.11 117.03 2jya h GLN 58 Ca -0.36 -0.11 0.07 0.00 -0.00 0.00 0.00 58.65 58.24 2jya h GLN 58 Cb 1.19 -0.26 -0.07 0.00 0.00 0.00 0.00 27.48 28.34 2jya h GLN 58 CO 0.64 0.87 0.64 0.93 0.00 0.00 0.00 178.83 181.91 2jya h GLU 59 N 1.26 1.12 -0.02 1.69 3.07 -1.98 -0.68 114.58 119.03 2jya h GLU 59 Ca 0.33 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 2jya h GLU 59 Cb -0.05 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.59 2jya h GLU 59 CO -0.06 0.74 -0.54 1.96 -1.40 0.00 0.00 179.01 179.70 2jya h GLN 60 N 1.15 0.07 0.02 2.33 4.20 -1.97 -2.06 115.11 118.86 2jya h GLN 60 Ca 0.43 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.82 2jya h GLN 60 Cb 0.18 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.98 2jya h GLN 60 CO -0.17 0.60 -1.07 0.00 -0.67 0.00 0.00 178.83 177.52 2jya h ALA 61 N 1.40 0.10 -0.14 3.87 0.00 -1.21 -2.55 119.26 120.73 2jya h ALA 61 Ca -0.00 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 54.00 2jya h ALA 61 Cb 0.98 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jya h ALA 61 CO 0.07 0.68 -0.70 1.05 0.00 0.00 0.00 179.25 180.35 2jya h GLU 62 N 0.37 0.63 -0.81 0.00 -0.00 -1.29 -2.26 114.58 111.22 2jya h GLU 62 Ca -0.14 -0.48 0.03 0.00 -0.00 0.00 0.00 59.36 58.77 2jya h GLU 62 Cb 1.73 0.09 -0.05 0.00 -0.00 0.00 0.00 28.75 30.52 2jya h GLU 62 CO 0.21 1.10 0.53 0.00 -0.00 0.00 0.00 179.01 180.86 2jya h ALA 63 N 0.77 1.50 0.68 1.06 0.00 -1.42 -1.16 119.26 120.70 2jya h ALA 63 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jya h ALA 63 Cb 1.30 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2jya h ALA 63 CO 0.14 0.42 -0.33 -0.92 0.00 0.00 0.00 179.25 178.55 2jya h TYR 64 N 1.00 -0.85 -0.32 0.00 3.20 -1.35 -2.75 116.97 115.91 2jya h TYR 64 Ca 0.32 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.23 2jya h TYR 64 Cb 0.03 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2jya h TYR 64 CO -0.00 -0.51 -0.04 0.00 -1.64 0.00 0.00 178.16 175.97 2jya h ALA 65 N -1.13 0.25 -0.58 1.82 0.00 -1.33 -2.45 119.26 115.84 2jya h ALA 65 Ca -0.09 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2jya h ALA 65 Cb 0.72 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jya h ALA 65 CO 0.15 -0.43 0.13 1.96 0.00 0.00 0.00 179.25 181.06 2jya h GLN 66 N 0.05 0.91 -0.08 0.00 4.20 -1.33 0.29 115.11 119.15 2jya h GLN 66 Ca 0.16 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2jya h GLN 66 Cb 0.22 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2jya h GLN 66 CO -0.29 0.83 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.55 2jya h ARG 67 N 0.87 0.12 0.00 1.46 2.43 -1.16 -1.85 114.38 116.25 2jya h ARG 67 Ca 0.19 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2jya h ARG 67 Cb 0.34 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2jya h ARG 67 CO 0.00 0.19 -0.75 0.87 -1.51 0.00 0.00 179.97 178.77 2jya h LYS 68 N 0.12 0.00 0.00 0.20 1.79 -0.89 -3.48 116.57 114.31 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 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2jya h LYS 68 CO 0.01 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.92 2jya n GLY 69 N 1.21 0.57 3.60 3.86 0.00 0.12 -5.04 105.19 109.51 2jya n GLY 69 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.31 3.47 0.40 -0.61 1.01 0.78 -4.91 121.20 119.03 2jya s ILE 70 Ca 0.00 0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.86 2jya s ILE 70 Cb 0.00 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 2jya s ILE 70 CO 0.00 -0.44 1.37 -1.84 0.00 0.00 0.00 174.94 174.04 2jya n GLU 71 N 8.46 2.26 -3.95 2.79 0.28 -1.23 -3.99 120.64 125.25 2jya n GLU 71 Ca 0.23 0.80 -0.10 0.00 -0.16 0.00 0.00 57.16 57.93 2jya n GLU 71 Cb 0.47 -2.51 -0.11 0.00 1.43 0.00 0.00 31.44 30.72 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jya s TYR 72 N -1.15 0.21 -0.11 -1.84 1.13 -1.26 -0.99 117.35 113.33 2jya s TYR 72 Ca 0.58 -0.43 0.03 0.00 -1.41 0.00 0.00 57.07 55.84 2jya s TYR 72 Cb -0.50 -0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.21 2jya s TYR 72 CO 0.60 -0.21 -0.22 0.50 -2.51 0.00 0.00 175.55 173.72 2jya s ARG 73 N -1.43 2.89 -0.15 -3.49 6.06 -0.43 -4.94 118.95 117.46 2jya s ARG 73 Ca -0.16 -0.81 -0.07 0.00 -2.50 0.00 0.00 55.73 52.19 2jya s ARG 73 Cb -0.09 -2.26 -0.04 0.00 0.06 0.00 0.00 34.95 32.61 2jya s ARG 73 CO -0.00 0.07 0.09 0.08 -2.50 0.00 0.00 175.30 173.04 2jya s VAL 74 N 0.60 5.03 -0.10 7.11 1.01 -1.26 -1.29 120.40 131.51 2jya s VAL 74 Ca -0.13 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jya s VAL 74 Cb -0.17 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2jya s VAL 74 CO 0.03 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 174.97 2jya s ILE 75 N -0.29 0.90 0.44 2.22 1.01 0.02 -4.97 121.20 120.54 2jya s ILE 75 Ca 0.09 -0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 2jya s ILE 75 Cb -0.12 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 2jya s ILE 75 CO 0.01 0.34 1.34 -0.76 0.00 0.00 0.00 174.94 175.87 2jya s LEU 76 N 1.65 4.11 0.00 2.97 1.43 -1.26 -4.18 118.68 123.41 2jya s LEU 76 Ca 0.03 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.72 2jya s LEU 76 Cb -0.13 -4.00 0.19 0.00 0.03 0.00 0.00 46.19 42.28 2jya s LEU 76 CO -0.07 -1.06 0.72 -0.81 0.23 0.00 0.00 176.35 175.36 2jya n PRO 77 N -0.19 -2.16 0.00 1.29 -0.04 -1.26 -4.85 135.00 127.78 2jya n PRO 77 Ca 0.05 -1.15 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 2jya n PRO 77 Cb 0.44 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 2jya n PRO 77 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jya n LYS 78 N -3.53 0.75 0.00 0.54 -0.00 -1.26 -3.26 118.16 111.41 2jya n LYS 78 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2jya n LYS 78 Cb 0.38 -1.15 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 2jya n LYS 78 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2jya n GLU 79 N -0.25 0.00 0.00 -1.58 0.28 -1.26 -5.15 120.64 112.67 2jya n GLU 79 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 2jya n GLU 79 Cb 0.07 -0.00 0.60 0.00 1.43 0.00 0.00 31.44 33.54 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97