#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 2.17 -0.16 6.12 1.04 -1.26 -4.23 113.70 117.38 2jya s SER 2 Ca 0.00 -0.32 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 2jya s SER 2 Cb 0.00 -0.78 -0.04 0.00 0.10 0.00 0.00 66.02 65.30 2jya s SER 2 CO 0.00 -0.14 0.11 0.00 0.98 0.00 0.00 173.24 174.18 2jya s ALA 3 N 1.75 3.66 -0.21 5.32 0.00 -0.47 -4.00 121.76 127.81 2jya s ALA 3 Ca 0.04 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2jya s ALA 3 Cb -0.13 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 2jya s ALA 3 CO -0.08 0.37 -0.01 -1.59 0.00 0.00 0.00 175.76 174.46 2jya s LYS 4 N -0.26 3.53 -0.22 0.00 -2.85 -0.16 -1.08 119.74 118.69 2jya s LYS 4 Ca 0.10 -0.56 -0.06 0.00 -1.00 0.00 0.00 55.97 54.45 2jya s LYS 4 Cb -0.12 -3.07 -0.03 0.00 -2.06 0.00 0.00 37.83 32.56 2jya s LYS 4 CO 0.01 -0.07 0.04 0.42 0.10 0.00 0.00 175.35 175.85 2jya s ILE 5 N 1.20 4.15 0.27 3.79 1.09 -0.54 -1.76 121.20 129.40 2jya s ILE 5 Ca 0.03 -0.23 -0.06 0.00 -1.10 0.00 0.00 60.65 59.28 2jya s ILE 5 Cb -0.15 -2.91 -0.01 0.00 -1.06 0.00 0.00 42.46 38.33 2jya s ILE 5 CO 0.01 0.39 0.40 -0.72 -0.10 0.00 0.00 174.94 174.91 2jya s TYR 6 N 1.27 0.79 -0.20 3.97 1.13 -0.79 -0.93 117.35 122.60 2jya s TYR 6 Ca 0.04 -1.07 -0.01 0.00 -1.41 0.00 0.00 57.07 54.62 2jya s TYR 6 Cb -0.15 -0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.64 2jya s TYR 6 CO 0.02 -0.96 -0.13 0.50 -2.51 0.00 0.00 175.55 172.47 2jya s ARG 7 N -3.71 3.16 -0.58 -3.49 3.52 -1.26 -0.39 118.95 116.20 2jya s ARG 7 Ca 0.29 -0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 54.89 2jya s ARG 7 Cb 0.01 -2.76 -0.09 0.00 -1.56 0.00 0.00 34.95 30.55 2jya s ARG 7 CO 0.14 -0.21 2.42 -0.35 -0.81 0.00 0.00 175.30 176.49 2jya n PRO 8 N 4.70 0.90 0.00 5.12 -0.04 -1.26 -4.33 135.00 140.09 2jya n PRO 8 Ca -0.20 -0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.15 2jya n PRO 8 Cb 0.50 -3.48 0.15 0.00 -0.04 0.00 0.00 33.50 30.63 2jya n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jya n ALA 9 N 16.59 3.81 -1.30 0.55 0.00 -1.26 -3.98 120.51 134.92 2jya n ALA 9 Ca 0.40 -0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 2jya n ALA 9 Cb 0.51 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 19.13 2jya n ALA 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jya n LYS 10 N -1.25 2.20 -1.55 0.00 -0.00 -1.26 -4.90 118.16 111.40 2jya n LYS 10 Ca 0.06 -3.09 -0.52 0.00 -0.00 0.00 0.00 58.31 54.76 2jya n LYS 10 Cb 0.35 -2.11 -0.06 0.00 -0.00 0.00 0.00 35.03 33.22 2jya n LYS 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2jya n THR 11 N -1.12 0.49 -1.68 0.58 -1.04 -1.26 -4.90 114.28 105.36 2jya n THR 11 Ca 0.54 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 62.02 2jya n THR 11 Cb 1.45 -0.55 0.02 0.00 -1.82 0.00 0.00 70.33 69.44 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jya n ALA 12 N 1.67 0.97 -1.62 2.41 0.00 -1.26 -4.85 120.51 117.84 2jya n ALA 12 Ca 0.18 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 2jya n ALA 12 Cb 0.19 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 2jya n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jya n MET 13 N -0.13 2.27 -1.98 0.00 2.81 -1.26 -4.86 117.12 113.97 2jya n MET 13 Ca 0.08 0.72 -0.25 0.00 -1.81 0.00 0.00 57.70 56.44 2jya n MET 13 Cb 0.41 -3.12 -0.07 0.00 -0.71 0.00 0.00 33.22 29.73 2jya n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2jya s GLN 14 N 5.62 2.28 -0.00 0.03 -1.52 -1.26 -4.75 119.66 120.06 2jya s GLN 14 Ca 0.97 -0.81 -0.00 0.00 -1.95 0.00 0.00 55.36 53.56 2jya s GLN 14 Cb -0.40 -5.15 -0.00 0.00 -0.22 0.00 0.00 33.01 27.24 2jya s GLN 14 CO 0.39 -4.10 -0.00 1.03 -0.25 0.00 0.00 175.29 172.35 2jya h SER 15 N 10.44 0.00 -0.78 5.90 0.87 -2.03 -3.41 113.55 124.54 2jya h SER 15 Ca 0.15 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.43 2jya h SER 15 Cb 0.96 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.76 2jya h SER 15 CO 1.18 0.02 0.35 0.61 -0.53 0.00 0.00 176.83 178.46 2jya n GLY 16 N 1.85 3.89 3.58 5.77 0.00 -1.26 -4.95 105.19 114.07 2jya n GLY 16 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.07 0.00 -0.07 2.61 -1.32 -1.26 -5.07 115.64 107.45 2jya s THR 17 Ca 0.55 -1.42 0.07 0.00 -1.21 0.00 0.00 61.69 59.69 2jya s THR 17 Cb 0.45 -2.27 0.16 0.00 -1.51 0.00 0.00 72.50 69.33 2jya s THR 17 CO 0.13 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.66 2jya n ALA 18 N -0.40 3.35 -1.77 11.08 0.00 -1.26 -4.69 120.51 126.82 2jya n ALA 18 Ca -0.02 -1.10 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 2jya n ALA 18 Cb 0.62 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 2jya n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2jya s LYS 19 N -0.14 4.21 0.66 0.00 -0.14 -1.26 -5.01 119.74 118.06 2jya s LYS 19 Ca 0.08 2.08 -0.16 0.00 -1.36 0.00 0.00 55.97 56.61 2jya s LYS 19 Cb 0.15 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2jya s LYS 19 CO -0.05 -0.26 1.14 0.95 -0.76 0.00 0.00 175.35 176.37 2jya s THR 20 N -1.23 2.96 -0.73 2.17 -4.23 -1.26 -4.91 115.64 108.41 2jya s THR 20 Ca 0.52 0.47 -0.26 0.00 -1.18 0.00 0.00 61.69 61.24 2jya s THR 20 Cb -0.37 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.46 2jya s THR 20 CO 0.48 -0.25 1.55 0.20 -0.54 0.00 0.00 174.62 176.05 2jya s ASN 21 N -2.29 5.80 0.40 3.99 -0.87 -1.26 -4.97 114.94 115.74 2jya s ASN 21 Ca 0.70 -0.27 0.03 0.00 -1.57 0.00 0.00 52.86 51.75 2jya s ASN 21 Cb -0.24 -2.55 0.06 0.00 -0.02 0.00 0.00 41.25 38.50 2jya s ASN 21 CO 0.40 -2.06 0.43 1.33 -2.57 0.00 0.00 177.10 174.63 2jya n VAL 22 N 6.82 0.00 -3.41 1.60 0.24 -1.26 -4.98 118.33 117.34 2jya n VAL 22 Ca 0.14 -0.86 -0.38 0.00 -2.04 0.00 0.00 64.34 61.21 2jya n VAL 22 Cb 0.50 -0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 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 -1.03 3.56 -0.12 6.34 0.52 0.17 -4.07 118.94 124.32 2jya s TRP 23 Ca 0.31 0.86 -0.06 0.00 0.02 0.00 0.00 56.10 57.23 2jya s TRP 23 Cb -0.02 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 2jya s TRP 23 CO 0.20 0.31 0.09 0.08 0.02 0.00 0.00 176.95 177.65 2jya s VAL 24 N 0.13 5.06 -0.33 4.03 1.01 0.48 -0.91 120.40 129.86 2jya s VAL 24 Ca 0.23 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2jya s VAL 24 Cb -0.15 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2jya s VAL 24 CO 0.10 0.59 0.06 -0.22 0.00 0.00 0.00 175.10 175.64 2jya s LEU 25 N -0.80 4.25 -0.09 3.92 0.20 -0.03 -1.88 118.68 124.24 2jya s LEU 25 Ca 0.13 -1.36 0.04 0.00 0.69 0.00 0.00 54.13 53.63 2jya s LEU 25 Cb -0.12 -1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 43.86 2jya s LEU 25 CO 0.03 -0.33 -0.24 -0.70 -0.29 0.00 0.00 176.35 174.82 2jya s GLU 26 N 1.28 2.95 0.06 1.98 2.12 -0.72 -0.95 118.70 125.41 2jya s GLU 26 Ca -0.02 -0.88 -0.06 0.00 0.36 0.00 0.00 54.97 54.36 2jya s GLU 26 Cb -0.20 -2.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 2jya s GLU 26 CO -0.01 0.22 0.12 -0.59 -0.54 0.00 0.00 175.26 174.47 2jya s PHE 27 N 0.23 0.23 -0.08 5.30 -0.71 -0.50 -0.99 117.98 121.47 2jya s PHE 27 Ca -0.16 -0.64 -0.30 0.00 -1.04 0.00 0.00 56.93 54.80 2jya s PHE 27 Cb -0.17 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2jya s PHE 27 CO 0.08 -0.46 1.37 0.16 -1.34 0.00 0.00 175.22 175.03 2jya s ASP 28 N -2.64 6.87 0.71 1.98 -4.77 -1.26 -1.40 116.67 116.17 2jya s ASP 28 Ca 0.02 1.94 -0.16 0.00 -3.30 0.00 0.00 52.55 51.06 2jya s ASP 28 Cb 0.04 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.34 2jya s ASP 28 CO -0.09 -0.76 1.20 0.00 0.70 0.00 0.00 175.17 176.22 2jya n ALA 29 N 6.15 0.49 -0.59 2.11 0.00 -0.53 -3.74 120.51 124.40 2jya n ALA 29 Ca 0.14 -0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2jya n ALA 29 Cb 0.44 -2.26 0.35 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.34 3.59 -1.92 0.00 -0.00 -1.26 -4.69 120.64 114.02 2jya n GLU 30 Ca 0.15 -2.85 -0.42 0.00 -0.00 0.00 0.00 57.16 54.03 2jya n GLU 30 Cb 0.49 -1.84 -0.03 0.00 -0.00 0.00 0.00 31.44 30.06 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jya s VAL 31 N -1.73 3.43 0.00 3.84 0.11 -1.26 -5.00 120.40 119.79 2jya s VAL 31 Ca 0.50 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2jya s VAL 31 Cb 0.32 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 2jya s VAL 31 CO 0.26 -0.09 0.00 -0.81 -3.33 0.00 0.00 175.10 171.13 2jya n PRO 32 N 7.45 0.37 0.18 1.54 -0.04 -1.26 -4.89 135.00 138.36 2jya n PRO 32 Ca 0.19 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2jya n PRO 32 Cb 0.43 0.00 0.71 0.00 -0.04 0.00 0.00 33.50 34.60 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 -5.73 0.54 0.11 -1.93 -3.36 114.38 104.01 2jya h ARG 33 Ca 0.00 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.51 2jya h ARG 33 Cb 0.00 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.01 2jya h ARG 33 CO 0.00 0.00 1.86 1.17 0.10 0.00 0.00 179.97 183.10 2jya n LYS 34 N -4.32 2.71 -3.82 0.08 3.00 -1.26 -4.67 118.16 109.87 2jya n LYS 34 Ca 0.01 -3.03 -0.37 0.00 -0.00 0.00 0.00 58.31 54.92 2jya n LYS 34 Cb 0.27 -3.57 -0.06 0.00 0.00 0.00 0.00 35.03 31.67 2jya n LYS 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2jya s ILE 35 N 6.34 5.43 0.05 3.15 1.01 -1.26 -5.07 121.20 130.86 2jya s ILE 35 Ca 0.58 0.31 -0.33 0.00 0.00 0.00 0.00 60.65 61.22 2jya s ILE 35 Cb 0.03 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.92 2jya s ILE 35 CO 0.10 0.61 1.78 0.47 0.00 0.00 0.00 174.94 177.90 2jya n ASP 36 N 1.95 3.52 0.32 3.58 9.92 -1.26 -4.41 116.55 130.17 2jya n ASP 36 Ca -0.19 1.01 0.20 0.00 -0.53 0.00 0.00 54.79 55.27 2jya n ASP 36 Cb 0.55 -1.44 1.04 0.00 -0.64 0.00 0.00 41.12 40.63 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 8.07 0.00 -0.21 -0.24 0.13 -1.96 -0.54 132.00 137.25 2jya h PRO 37 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2jya h PRO 37 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2jya h PRO 37 CO 0.93 0.00 0.09 0.82 -0.23 0.00 0.00 178.00 179.61 2jya h ILE 38 N 0.00 0.97 0.07 -3.56 1.08 -2.02 -2.99 117.51 111.06 2jya h ILE 38 Ca 0.00 -0.07 -0.27 0.00 -0.39 0.00 0.00 64.86 64.14 2jya h ILE 38 Cb 0.18 0.76 0.01 0.00 -3.07 0.00 0.00 36.82 34.71 2jya h ILE 38 CO 0.00 0.04 -1.13 0.24 -0.69 0.00 0.00 178.15 176.61 2jya h MET 39 N 0.20 0.47 0.00 2.37 2.86 -1.65 -3.48 114.93 115.70 2jya h MET 39 Ca 0.09 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2jya h MET 39 Cb 0.04 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2jya h MET 39 CO -0.08 1.24 0.00 0.41 1.06 0.00 0.00 176.91 179.54 2jya n GLY 40 N 1.24 2.83 3.56 8.32 0.00 -0.32 -5.08 105.19 115.74 2jya n GLY 40 Ca -0.10 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 2.12 0.10 1.61 5.04 -1.25 -4.09 117.35 120.88 2jya s TYR 41 Ca 0.00 -0.01 -0.21 0.00 -2.44 0.00 0.00 57.07 54.41 2jya s TYR 41 Cb 0.00 -4.34 -0.07 0.00 0.35 0.00 0.00 41.96 37.90 2jya s TYR 41 CO 0.00 -1.86 0.64 0.95 -1.34 0.00 0.00 175.55 173.94 2jya s THR 42 N 7.76 4.62 0.19 4.34 -4.23 -1.26 -4.96 115.64 122.09 2jya s THR 42 Ca 0.59 1.37 0.02 0.00 -1.18 0.00 0.00 61.69 62.49 2jya s THR 42 Cb -0.04 -3.98 -0.10 0.00 1.34 0.00 0.00 72.50 69.72 2jya s THR 42 CO -0.03 0.54 1.46 0.28 -0.54 0.00 0.00 174.62 176.33 2jya h SER 43 N 4.45 0.32 -4.45 3.99 0.02 -1.93 -3.45 113.55 112.50 2jya h SER 43 Ca -0.49 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 2jya h SER 43 Cb 1.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2jya h SER 43 CO 0.64 0.95 -0.39 -0.24 -1.14 0.00 0.00 176.83 176.65 2jya n SER 44 N -3.79 -5.87 0.01 3.07 2.88 -1.26 -4.92 113.62 103.74 2jya n SER 44 Ca -0.03 0.47 0.11 0.00 -1.33 0.00 0.00 58.87 58.09 2jya n SER 44 Cb 0.71 -3.84 -0.07 0.00 -0.75 0.00 0.00 64.21 60.26 2jya n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jya n SER 45 N -0.19 0.56 -4.99 -3.46 2.88 -1.26 -4.97 113.62 102.19 2jya n SER 45 Ca 0.06 -0.37 -0.18 0.00 -1.33 0.00 0.00 58.87 57.05 2jya n SER 45 Cb 0.23 1.17 -0.00 0.00 -0.75 0.00 0.00 64.21 64.86 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 -3.84 5.80 0.76 -3.46 1.11 -1.26 -5.13 116.67 110.65 2jya s ASP 46 Ca 0.02 -0.30 -0.05 0.00 0.18 0.00 0.00 52.55 52.39 2jya s ASP 46 Cb 0.15 -0.98 0.13 0.00 1.07 0.00 0.00 42.92 43.28 2jya s ASP 46 CO 0.85 -0.57 1.05 -0.04 1.18 0.00 0.00 175.17 177.65 2jya s MET 47 N -4.24 1.60 -0.13 8.23 -1.94 -1.26 -5.07 119.30 116.49 2jya s MET 47 Ca 0.49 -0.80 -0.17 0.00 -1.71 0.00 0.00 55.69 53.50 2jya s MET 47 Cb -0.09 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 2jya s MET 47 CO 0.32 -1.57 0.42 0.15 -0.01 0.00 0.00 175.02 174.33 2jya s LYS 48 N -5.29 4.30 1.12 2.03 3.01 -1.26 -5.08 119.74 118.56 2jya s LYS 48 Ca 0.66 0.35 -0.16 0.00 -1.01 0.00 0.00 55.97 55.82 2jya s LYS 48 Cb -0.06 -3.43 0.25 0.00 -1.01 0.00 0.00 37.83 33.58 2jya s LYS 48 CO 0.46 0.20 1.09 1.14 0.51 0.00 0.00 175.35 178.75 2jya s GLN 49 N 0.53 -0.53 0.45 1.68 -2.07 -1.26 -4.22 119.66 114.24 2jya s GLN 49 Ca 0.23 0.24 -0.16 0.00 -1.82 0.00 0.00 55.36 53.85 2jya s GLN 49 Cb -0.15 -1.65 -0.09 0.00 -1.09 0.00 0.00 33.01 30.04 2jya s GLN 49 CO 0.09 -3.32 0.91 1.14 -1.32 0.00 0.00 175.29 172.79 2jya s GLN 50 N -5.14 4.00 0.01 9.60 1.03 -1.26 -1.45 119.66 126.44 2jya s GLN 50 Ca 0.68 0.88 -0.00 0.00 0.04 0.00 0.00 55.36 56.96 2jya s GLN 50 Cb -0.15 -2.22 -0.01 0.00 0.03 0.00 0.00 33.01 30.66 2jya s GLN 50 CO 0.57 -0.13 -0.02 0.14 -2.54 0.00 0.00 175.29 173.32 2jya s VAL 51 N -2.40 0.08 -0.01 3.63 -7.23 -0.49 -4.86 120.40 109.12 2jya s VAL 51 Ca 0.58 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 60.07 2jya s VAL 51 Cb -0.10 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.65 2jya s VAL 51 CO 0.25 -0.37 0.01 -1.59 -0.31 0.00 0.00 175.10 173.08 2jya s LYS 52 N -1.10 0.05 0.16 4.82 0.00 -1.26 -1.41 119.74 121.00 2jya s LYS 52 Ca -0.12 0.05 0.09 0.00 0.00 0.00 0.00 55.97 55.99 2jya s LYS 52 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 37.83 37.56 2jya s LYS 52 CO -0.01 -0.06 -0.20 -0.51 0.00 0.00 0.00 175.35 174.58 2jya s LEU 53 N 0.41 2.41 -0.14 2.77 1.02 -0.13 -4.98 118.68 120.05 2jya s LEU 53 Ca -0.04 -0.83 0.02 0.00 0.02 0.00 0.00 54.13 53.31 2jya s LEU 53 Cb -0.05 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.24 2jya s LEU 53 CO -0.01 0.02 -0.21 0.42 0.02 0.00 0.00 176.35 176.59 2jya s THR 54 N -1.78 2.00 0.05 5.49 -4.23 -1.26 -0.85 115.64 115.06 2jya s THR 54 Ca 0.15 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 2jya s THR 54 Cb -0.07 -1.77 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 2jya s THR 54 CO 0.07 0.54 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.12 2jya s PHE 55 N 0.82 1.84 0.17 3.99 0.40 -0.09 -4.99 117.98 120.11 2jya s PHE 55 Ca -0.07 -0.38 0.28 0.00 -0.60 0.00 0.00 56.93 56.16 2jya s PHE 55 Cb -0.16 -1.08 1.17 0.00 0.51 0.00 0.00 43.02 43.46 2jya s PHE 55 CO -0.02 0.11 1.92 0.93 0.70 0.00 0.00 175.22 178.86 2jya h GLU 56 N 4.77 0.00 -4.70 0.44 5.08 -1.96 0.51 114.58 118.72 2jya h GLU 56 Ca -0.43 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.68 2jya h GLU 56 Cb 1.16 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 2jya h GLU 56 CO 0.43 0.13 -0.68 0.95 -1.00 0.00 0.00 179.01 178.85 2jya s THR 57 N -3.74 0.64 0.22 1.13 -4.23 -1.26 -4.41 115.64 103.99 2jya s THR 57 Ca 0.00 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 2jya s THR 57 Cb 0.10 -1.91 0.17 0.00 1.34 0.00 0.00 72.50 72.21 2jya s THR 57 CO 0.59 -0.66 1.84 -0.61 -0.54 0.00 0.00 174.62 175.24 2jya h GLN 58 N 2.84 1.15 -0.97 3.99 4.15 -1.95 -3.17 115.11 121.16 2jya h GLN 58 Ca -0.36 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 58.95 2jya h GLN 58 Cb 1.19 -0.22 -0.05 0.00 0.21 0.00 0.00 27.48 28.60 2jya h GLN 58 CO 0.63 0.85 0.64 0.93 -1.93 0.00 0.00 178.83 179.95 2jya h GLU 59 N 1.14 1.24 -0.17 1.69 3.07 -1.98 0.14 114.58 119.72 2jya h GLU 59 Ca 0.29 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 2jya h GLU 59 Cb 0.04 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 2jya h GLU 59 CO -0.05 0.82 -0.31 1.96 -1.40 0.00 0.00 179.01 180.03 2jya h GLN 60 N 1.27 0.33 0.24 2.33 4.20 -1.96 -1.72 115.11 119.81 2jya h GLN 60 Ca 0.37 -0.13 -0.34 0.00 0.06 0.00 0.00 58.65 58.60 2jya h GLN 60 Cb -0.09 -0.02 0.03 0.00 0.30 0.00 0.00 27.48 27.71 2jya h GLN 60 CO -0.09 0.61 -1.53 0.00 -0.67 0.00 0.00 178.83 177.16 2jya h ALA 61 N 1.39 -0.09 -0.09 3.87 0.00 -1.30 -2.74 119.26 120.30 2jya h ALA 61 Ca 0.04 -0.92 -0.23 0.00 0.00 0.00 0.00 54.91 53.80 2jya h ALA 61 Cb 0.70 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jya h ALA 61 CO 0.05 0.77 -0.87 1.05 0.00 0.00 0.00 179.25 180.26 2jya h GLU 62 N 0.14 0.69 -0.14 0.00 4.11 -1.03 -2.19 114.58 116.16 2jya h GLU 62 Ca -0.27 -0.63 -0.07 0.00 0.07 0.00 0.00 59.36 58.46 2jya h GLU 62 Cb 2.15 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.54 2jya h GLU 62 CO 0.26 1.23 -0.24 0.00 0.07 0.00 0.00 179.01 180.33 2jya h ALA 63 N 0.57 1.33 -0.04 1.06 0.00 -1.43 -0.45 119.26 120.29 2jya h ALA 63 Ca -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jya h ALA 63 Cb 1.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2jya h ALA 63 CO 0.17 0.46 -0.00 -0.92 0.00 0.00 0.00 179.25 178.96 2jya h TYR 64 N 0.23 0.09 -0.56 0.00 3.20 -1.36 -0.45 116.97 118.12 2jya h TYR 64 Ca 0.04 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.94 2jya h TYR 64 Cb 0.56 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 2jya h TYR 64 CO 0.01 0.39 0.30 0.00 -1.64 0.00 0.00 178.16 177.22 2jya h ALA 65 N 0.69 0.73 -0.59 1.82 0.00 -1.28 -2.57 119.26 118.05 2jya h ALA 65 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jya h ALA 65 Cb 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jya h ALA 65 CO 0.00 -0.03 0.27 1.96 0.00 0.00 0.00 179.25 181.45 2jya h GLN 66 N 0.57 0.86 -0.83 0.00 4.20 -1.01 0.47 115.11 119.38 2jya h GLN 66 Ca 0.25 -0.14 0.11 0.00 0.06 0.00 0.00 58.65 58.93 2jya h GLN 66 Cb 0.14 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 2jya h GLN 66 CO -0.16 0.71 0.54 -0.09 -0.67 0.00 0.00 178.83 179.16 2jya h ARG 67 N 0.81 0.69 0.00 1.46 2.43 -0.91 -1.46 114.38 117.41 2jya h ARG 67 Ca 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2jya h ARG 67 Cb 0.14 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2jya h ARG 67 CO -0.02 0.46 -0.79 0.87 -1.51 0.00 0.00 179.97 178.98 2jya h LYS 68 N 0.71 0.00 0.00 0.20 1.79 -1.01 -3.48 116.57 114.78 2jya h LYS 68 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2jya h LYS 68 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jya h LYS 68 CO -0.16 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.68 2jya n GLY 69 N 1.19 0.71 3.57 3.86 0.00 0.69 -5.03 105.19 110.18 2jya n GLY 69 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 2jya n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jya n ILE 70 N -2.00 0.33 -1.70 -0.61 5.41 0.13 -4.86 119.36 116.07 2jya n ILE 70 Ca 0.00 -0.21 -0.44 0.00 1.00 0.00 0.00 62.75 63.11 2jya n ILE 70 Cb 0.00 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.15 2jya n ILE 70 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2jya n GLU 71 N 7.42 2.54 -3.90 0.38 0.00 -1.26 -4.36 120.64 121.46 2jya n GLU 71 Ca 0.33 0.91 -0.11 0.00 0.00 0.00 0.00 57.16 58.29 2jya n GLU 71 Cb 0.26 -2.73 -0.11 0.00 0.00 0.00 0.00 31.44 28.86 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2jya s TYR 72 N 0.98 0.08 -0.10 -1.84 1.13 -1.26 -1.36 117.35 114.98 2jya s TYR 72 Ca 0.76 -0.16 0.02 0.00 -1.41 0.00 0.00 57.07 56.27 2jya s TYR 72 Cb -0.57 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.20 2jya s TYR 72 CO 0.35 -0.17 -0.15 0.50 -2.51 0.00 0.00 175.55 173.58 2jya s ARG 73 N -0.94 3.00 -0.20 -3.49 6.06 -0.24 -4.95 118.95 118.19 2jya s ARG 73 Ca -0.10 -0.72 -0.08 0.00 -2.50 0.00 0.00 55.73 52.33 2jya s ARG 73 Cb -0.06 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.42 2jya s ARG 73 CO 0.00 0.37 0.08 0.14 -2.50 0.00 0.00 175.30 173.39 2jya s VAL 74 N -0.06 4.83 -0.09 7.11 -7.23 -1.26 -1.47 120.40 122.23 2jya s VAL 74 Ca -0.03 -0.01 0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2jya s VAL 74 Cb -0.14 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 2jya s VAL 74 CO 0.04 0.42 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.41 2jya s ILE 75 N 0.69 2.35 0.47 -0.62 1.09 -0.11 -4.96 121.20 120.11 2jya s ILE 75 Ca 0.04 -0.93 -0.21 0.00 -1.10 0.00 0.00 60.65 58.45 2jya s ILE 75 Cb -0.13 -1.91 -0.09 0.00 -1.06 0.00 0.00 42.46 39.27 2jya s ILE 75 CO 0.02 0.56 1.04 -0.76 -0.10 0.00 0.00 174.94 175.69 2jya s LEU 76 N 0.12 3.90 0.77 2.97 1.43 -1.26 -4.10 118.68 122.51 2jya s LEU 76 Ca -0.11 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 2jya s LEU 76 Cb -0.16 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.62 2jya s LEU 76 CO 0.06 -0.71 1.11 -2.16 0.23 0.00 0.00 176.35 174.88 2jya s PRO 77 N -3.11 2.14 0.51 1.29 0.04 -1.26 -4.86 135.00 129.75 2jya s PRO 77 Ca 0.66 1.30 0.22 0.00 0.04 0.00 0.00 61.00 63.22 2jya s PRO 77 Cb -0.17 -1.87 1.37 0.00 0.04 0.00 0.00 34.50 33.87 2jya s PRO 77 CO 0.21 -1.75 2.10 1.57 0.04 0.00 0.00 177.00 179.16 2jya h LYS 78 N -1.02 0.00 0.00 4.56 5.09 -1.91 -1.86 116.57 121.43 2jya h LYS 78 Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.20 2jya h LYS 78 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.56 2jya h LYS 78 CO 0.50 0.10 -0.46 1.05 -2.09 0.00 0.00 179.45 178.55 2jya h GLU 79 N 0.00 0.00 0.00 0.07 4.11 -1.92 -3.52 114.58 113.32 2jya h GLU 79 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jya h GLU 79 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2jya h GLU 79 CO 0.01 0.46 0.00 0.00 0.07 0.00 0.00 179.01 179.55