#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 3.01 -0.20 7.83 0.01 -1.26 -3.84 113.70 119.25 2jya s SER 2 Ca 0.00 -0.60 -0.09 0.00 1.31 0.00 0.00 55.95 56.57 2jya s SER 2 Cb 0.00 -1.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.78 2jya s SER 2 CO 0.00 0.01 0.11 0.00 0.41 0.00 0.00 173.24 173.77 2jya s ALA 3 N 1.21 3.58 -0.20 1.44 0.00 -0.39 -3.29 121.76 124.10 2jya s ALA 3 Ca 0.02 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2jya s ALA 3 Cb -0.14 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2jya s ALA 3 CO -0.10 0.09 -0.01 -1.59 0.00 0.00 0.00 175.76 174.15 2jya s LYS 4 N 0.52 3.58 -0.23 0.00 -2.85 -0.33 -1.16 119.74 119.27 2jya s LYS 4 Ca 0.06 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.44 2jya s LYS 4 Cb -0.12 -3.07 -0.02 0.00 -2.06 0.00 0.00 37.83 32.56 2jya s LYS 4 CO -0.00 -0.03 0.01 0.42 0.10 0.00 0.00 175.35 175.85 2jya s ILE 5 N 1.09 3.83 0.25 3.79 1.09 -1.13 -1.68 121.20 128.44 2jya s ILE 5 Ca 0.02 -0.34 -0.09 0.00 -1.10 0.00 0.00 60.65 59.14 2jya s ILE 5 Cb -0.14 -2.76 -0.01 0.00 -1.06 0.00 0.00 42.46 38.49 2jya s ILE 5 CO 0.01 0.40 0.39 -0.72 -0.10 0.00 0.00 174.94 174.92 2jya s TYR 6 N 1.41 0.64 -0.32 3.97 1.13 -0.65 -0.63 117.35 122.90 2jya s TYR 6 Ca 0.05 -0.95 -0.02 0.00 -1.41 0.00 0.00 57.07 54.74 2jya s TYR 6 Cb -0.15 -0.03 0.11 0.00 -1.10 0.00 0.00 41.96 40.80 2jya s TYR 6 CO 0.00 -0.92 0.16 0.50 -2.51 0.00 0.00 175.55 172.78 2jya s ARG 7 N -3.95 0.36 0.87 -3.49 3.52 -1.26 -0.14 118.95 114.86 2jya s ARG 7 Ca 0.27 -0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 54.89 2jya s ARG 7 Cb 0.01 -1.27 0.11 0.00 -1.56 0.00 0.00 34.95 32.24 2jya s ARG 7 CO 0.11 -1.09 1.11 -1.25 -0.81 0.00 0.00 175.30 173.37 2jya s PRO 8 N 1.68 1.49 0.14 5.12 0.04 -1.26 -4.33 135.00 137.88 2jya s PRO 8 Ca 0.12 0.54 -0.10 0.00 0.04 0.00 0.00 61.00 61.60 2jya s PRO 8 Cb -0.19 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2jya s PRO 8 CO -0.22 -2.01 1.45 0.00 0.04 0.00 0.00 177.00 176.26 2jya h ALA 9 N -1.37 0.55 -2.47 8.56 0.00 -2.01 -3.44 119.26 119.08 2jya h ALA 9 Ca -0.49 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.41 2jya h ALA 9 Cb 1.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2jya h ALA 9 CO 0.59 0.68 0.06 -1.59 0.00 0.00 0.00 179.25 178.99 2jya s LYS 10 N -4.21 4.10 0.11 0.00 -2.85 -1.26 -5.08 119.74 110.55 2jya s LYS 10 Ca -0.10 0.71 -0.04 0.00 -1.00 0.00 0.00 55.97 55.54 2jya s LYS 10 Cb 0.11 -2.74 0.02 0.00 -2.06 0.00 0.00 37.83 33.15 2jya s LYS 10 CO 0.88 0.33 0.22 0.25 0.10 0.00 0.00 175.35 177.13 2jya n THR 11 N 0.36 0.00 -1.78 3.79 -2.24 -1.26 -5.03 114.28 108.12 2jya n THR 11 Ca -0.01 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 2jya n THR 11 Cb 0.52 0.28 0.21 0.00 -2.10 0.00 0.00 70.33 69.24 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya n ALA 12 N -2.32 -1.86 -2.35 6.98 0.00 -1.26 -5.10 120.51 114.60 2jya n ALA 12 Ca -0.05 -1.72 -0.18 0.00 0.00 0.00 0.00 53.44 51.49 2jya n ALA 12 Cb 0.17 -0.09 0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -4.00 -0.19 -1.98 0.00 2.81 -1.26 -4.68 117.12 107.82 2jya n MET 13 Ca 0.16 -2.02 -0.43 0.00 -1.81 0.00 0.00 57.70 53.61 2jya n MET 13 Cb 0.58 -0.64 -0.03 0.00 -0.71 0.00 0.00 33.22 32.43 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 -4.68 3.42 0.35 0.03 -0.21 -1.26 -4.03 119.66 113.28 2jya s GLN 14 Ca 0.53 1.55 -0.17 0.00 0.02 0.00 0.00 55.36 57.29 2jya s GLN 14 Cb -0.03 -4.18 0.05 0.00 1.00 0.00 0.00 33.01 29.85 2jya s GLN 14 CO 0.36 -1.75 0.79 -1.54 -2.12 0.00 0.00 175.29 171.02 2jya s SER 15 N 5.88 -0.06 0.42 5.90 1.04 -0.87 -5.00 113.70 121.01 2jya s SER 15 Ca 0.80 -0.98 0.23 0.00 0.48 0.00 0.00 55.95 56.48 2jya s SER 15 Cb -0.24 0.80 0.67 0.00 0.10 0.00 0.00 66.02 67.35 2jya s SER 15 CO 0.33 -1.57 1.72 1.23 0.98 0.00 0.00 173.24 175.94 2jya h GLY 16 N 2.00 0.00 1.50 7.32 0.00 -2.05 -3.23 103.07 108.61 2jya h GLY 16 Ca -0.29 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2jya h GLY 16 CO 0.36 0.00 -0.95 0.00 0.00 0.00 0.00 176.54 175.95 2jya h THR 17 N 0.00 0.68 -3.29 4.70 1.03 -1.96 -3.46 112.91 110.62 2jya h THR 17 Ca -0.00 -2.10 -0.26 0.00 -0.01 0.00 0.00 66.41 64.04 2jya h THR 17 Cb 0.91 2.22 -0.33 0.00 -1.07 0.00 0.00 68.15 69.88 2jya h THR 17 CO 0.03 0.39 -0.63 0.00 -0.01 0.00 0.00 175.52 175.30 2jya s ALA 18 N -2.95 -0.18 -1.16 0.00 0.00 -1.22 -5.05 121.76 111.19 2jya s ALA 18 Ca 0.01 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 2jya s ALA 18 Cb 0.08 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2jya s ALA 18 CO 0.78 -0.19 2.91 1.63 0.00 0.00 0.00 175.76 180.89 2jya n LYS 19 N 4.33 3.54 0.00 0.00 4.76 -1.26 -2.05 118.16 127.48 2jya n LYS 19 Ca -0.24 -2.35 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 2jya n LYS 19 Cb 0.51 -2.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 2jya n LYS 19 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2jya n THR 20 N 2.65 0.00 -3.62 -0.18 -1.04 -1.26 -4.45 114.28 106.39 2jya n THR 20 Ca 0.66 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.48 2jya n THR 20 Cb 0.38 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.74 2jya n THR 20 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2jya s ASN 21 N 0.00 1.25 0.30 8.00 3.84 -1.26 -4.39 114.94 122.67 2jya s ASN 21 Ca 0.00 -0.01 0.04 0.00 0.21 0.00 0.00 52.86 53.10 2jya s ASN 21 Cb 0.00 0.16 -0.01 0.00 -0.55 0.00 0.00 41.25 40.84 2jya s ASN 21 CO 0.00 -0.28 0.13 1.33 -2.79 0.00 0.00 177.10 175.49 2jya n VAL 22 N 5.31 0.00 -3.15 -5.21 0.24 -1.26 -5.09 118.33 109.17 2jya n VAL 22 Ca -0.05 -1.81 -0.39 0.00 -2.04 0.00 0.00 64.34 60.05 2jya n VAL 22 Cb 0.50 0.71 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 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 -2.78 3.53 -0.13 6.34 0.52 -0.43 -4.51 118.94 121.47 2jya s TRP 23 Ca 0.19 1.08 -0.07 0.00 0.02 0.00 0.00 56.10 57.32 2jya s TRP 23 Cb 0.01 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 2jya s TRP 23 CO 0.13 0.08 0.11 0.08 0.02 0.00 0.00 176.95 177.37 2jya s VAL 24 N 0.89 5.25 -0.33 4.03 1.01 0.80 -1.17 120.40 130.88 2jya s VAL 24 Ca 0.32 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 2jya s VAL 24 Cb -0.17 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2jya s VAL 24 CO 0.14 0.57 0.07 -0.22 0.00 0.00 0.00 175.10 175.66 2jya s LEU 25 N -0.63 4.25 -0.11 3.92 0.20 -0.15 -1.64 118.68 124.53 2jya s LEU 25 Ca 0.12 -1.33 0.01 0.00 0.69 0.00 0.00 54.13 53.62 2jya s LEU 25 Cb -0.12 -1.79 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 2jya s LEU 25 CO 0.02 -0.33 -0.13 -0.70 -0.29 0.00 0.00 176.35 174.92 2jya s GLU 26 N 1.30 3.15 0.06 1.98 2.12 -0.68 -1.05 118.70 125.58 2jya s GLU 26 Ca -0.02 -0.69 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 2jya s GLU 26 Cb -0.20 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 2jya s GLU 26 CO 0.00 0.33 0.13 -0.59 -0.54 0.00 0.00 175.26 174.58 2jya s PHE 27 N 0.05 0.22 -0.22 5.30 -0.71 -0.82 -1.18 117.98 120.62 2jya s PHE 27 Ca -0.05 -0.60 -0.28 0.00 -1.04 0.00 0.00 56.93 54.95 2jya s PHE 27 Cb -0.14 -0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.47 2jya s PHE 27 CO 0.04 -0.45 2.22 -3.47 -1.34 0.00 0.00 175.22 172.22 2jya n ASP 28 N 0.31 3.24 -4.69 1.98 -0.08 -1.21 -2.97 116.55 113.14 2jya n ASP 28 Ca -0.17 0.23 -0.41 0.00 -1.51 0.00 0.00 54.79 52.94 2jya n ASP 28 Cb 0.61 -1.54 0.01 0.00 2.34 0.00 0.00 41.12 42.54 2jya n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jya n ALA 29 N 11.50 1.17 1.66 -1.67 0.00 -0.97 -4.34 120.51 127.86 2jya n ALA 29 Ca 0.30 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2jya n ALA 29 Cb 0.44 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.05 0.91 -3.71 0.00 0.28 -1.26 -4.66 120.64 112.15 2jya n GLU 30 Ca 0.07 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.94 2jya n GLU 30 Cb 0.40 -1.08 -0.09 0.00 1.43 0.00 0.00 31.44 32.09 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 -1.82 0.00 0.53 3.84 0.11 -1.26 -5.13 120.40 116.67 2jya s VAL 31 Ca 0.00 -0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 2jya s VAL 31 Cb 0.00 -0.66 0.13 0.00 -1.53 0.00 0.00 36.38 34.32 2jya s VAL 31 CO 0.00 -0.00 0.52 -0.81 -3.33 0.00 0.00 175.10 171.48 2jya n PRO 32 N 2.80 -1.65 0.25 1.54 -0.04 -1.25 -2.77 135.00 133.88 2jya n PRO 32 Ca -0.13 -0.83 0.09 0.00 -0.04 0.00 0.00 63.50 62.58 2jya n PRO 32 Cb 0.57 -0.72 0.64 0.00 -0.04 0.00 0.00 33.50 33.95 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 -6.03 0.54 -0.00 -1.86 -3.42 114.38 103.61 2jya h ARG 33 Ca -0.19 0.00 -0.59 0.00 -0.00 0.00 0.00 59.98 59.20 2jya h ARG 33 Cb 0.56 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 30.43 2jya h ARG 33 CO 0.13 0.09 1.14 0.21 -0.00 0.00 0.00 179.97 181.54 2jya s LYS 34 N -4.71 3.37 0.00 0.08 2.47 -1.26 -4.68 119.74 115.01 2jya s LYS 34 Ca -0.04 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.57 2jya s LYS 34 Cb 0.16 -4.71 0.00 0.00 -1.46 0.00 0.00 37.83 31.82 2jya s LYS 34 CO 0.65 -2.10 0.00 0.44 0.16 0.00 0.00 175.35 174.50 2jya n ILE 35 N 6.44 0.00 -1.78 5.43 -5.35 -1.26 -5.04 119.36 117.80 2jya n ILE 35 Ca 0.16 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.32 2jya n ILE 35 Cb 0.49 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.42 2jya n ILE 35 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2jya s ASP 36 N -1.00 5.65 0.00 7.28 1.01 -1.26 -4.97 116.67 123.38 2jya s ASP 36 Ca 0.00 1.65 0.06 0.00 0.71 0.00 0.00 52.55 54.97 2jya s ASP 36 Cb 0.00 -2.50 0.33 0.00 1.01 0.00 0.00 42.92 41.76 2jya s ASP 36 CO 0.00 -1.26 1.01 -0.81 0.21 0.00 0.00 175.17 174.32 2jya n PRO 37 N -2.70 0.11 -0.24 8.23 -0.04 -1.26 -3.21 135.00 135.89 2jya n PRO 37 Ca 0.08 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2jya n PRO 37 Cb 0.53 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.90 2jya n PRO 37 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jya h ILE 38 N 0.00 0.84 -0.29 0.52 1.08 -1.95 -2.18 117.51 115.52 2jya h ILE 38 Ca 0.00 -0.22 -0.70 0.00 -0.39 0.00 0.00 64.86 63.55 2jya h ILE 38 Cb 0.05 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 33.91 2jya h ILE 38 CO 0.00 0.12 3.31 0.23 -0.69 0.00 0.00 178.15 181.11 2jya n MET 39 N -4.54 3.62 -1.02 2.37 2.81 -1.20 -4.64 117.12 114.53 2jya n MET 39 Ca 0.16 -2.61 -0.01 0.00 -1.81 0.00 0.00 57.70 53.44 2jya n MET 39 Cb 0.47 -2.91 -0.00 0.00 -0.71 0.00 0.00 33.22 30.06 2jya n MET 39 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jya n GLY 40 N 3.36 0.17 5.03 3.03 0.00 -1.22 -4.32 105.19 111.24 2jya n GLY 40 Ca 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.24 0.00 -3.58 1.61 4.02 -0.82 -4.15 117.16 111.99 2jya n TYR 41 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.80 2jya n TYR 41 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.62 2jya n TYR 41 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2jya s THR 42 N 0.00 -0.64 -0.05 -0.72 -1.32 -1.26 -4.43 115.64 107.21 2jya s THR 42 Ca 0.00 0.11 -0.26 0.00 -1.21 0.00 0.00 61.69 60.33 2jya s THR 42 Cb 0.00 -0.70 -0.22 0.00 -1.51 0.00 0.00 72.50 70.07 2jya s THR 42 CO 0.00 0.03 1.09 0.28 -2.21 0.00 0.00 174.62 173.80 2jya h SER 43 N 8.17 0.08 -0.42 8.08 0.02 -1.85 -3.42 113.55 124.22 2jya h SER 43 Ca -0.17 -0.69 -0.28 0.00 -0.84 0.00 0.00 61.79 59.81 2jya h SER 43 Cb 1.12 -0.03 -0.25 0.00 0.14 0.00 0.00 62.40 63.38 2jya h SER 43 CO 0.16 0.76 -0.70 -0.24 -1.14 0.00 0.00 176.83 175.67 2jya n SER 44 N -4.68 -0.54 -3.53 3.07 2.88 -1.26 -5.00 113.62 104.56 2jya n SER 44 Ca -0.09 -2.58 -0.20 0.00 -1.33 0.00 0.00 58.87 54.67 2jya n SER 44 Cb 0.38 0.39 0.06 0.00 -0.75 0.00 0.00 64.21 64.29 2jya n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jya n SER 45 N -0.36 -3.10 -4.49 -3.46 7.64 -1.26 -4.88 113.62 103.70 2jya n SER 45 Ca 0.02 -0.77 -0.43 0.00 1.01 0.00 0.00 58.87 58.70 2jya n SER 45 Cb 0.83 -4.50 -0.01 0.00 -1.01 0.00 0.00 64.21 59.52 2jya n SER 45 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jya s ASP 46 N -4.04 6.86 0.48 6.43 1.11 -1.26 -4.79 116.67 121.46 2jya s ASP 46 Ca 0.16 -2.49 0.15 0.00 0.18 0.00 0.00 52.55 50.55 2jya s ASP 46 Cb -0.03 -2.45 1.15 0.00 1.07 0.00 0.00 42.92 42.66 2jya s ASP 46 CO 0.78 -0.98 2.08 -0.03 1.18 0.00 0.00 175.17 178.20 2jya h MET 47 N 7.94 0.19 -3.80 8.23 4.05 -1.97 -3.26 114.93 126.32 2jya h MET 47 Ca 0.29 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.59 2jya h MET 47 Cb 0.93 -0.04 -0.16 0.00 -0.80 0.00 0.00 31.60 31.52 2jya h MET 47 CO 1.26 0.13 -0.45 -1.59 0.23 0.00 0.00 176.91 176.49 2jya s LYS 48 N -5.22 0.71 0.00 0.39 0.00 -1.26 -3.87 119.74 110.50 2jya s LYS 48 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.04 2jya s LYS 48 Cb 0.18 0.28 0.00 0.00 0.00 0.00 0.00 37.83 38.29 2jya s LYS 48 CO 0.71 -0.20 0.00 0.00 0.00 0.00 0.00 175.35 175.86 2jya n GLN 49 N 0.35 2.83 -4.85 1.78 10.64 -1.11 -4.76 117.38 122.25 2jya n GLN 49 Ca -0.17 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.70 2jya n GLN 49 Cb 0.60 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.84 2jya n GLN 49 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jya s GLN 50 N 2.43 1.77 0.03 2.61 1.03 -1.26 -2.30 119.66 123.97 2jya s GLN 50 Ca 0.00 -1.13 0.03 0.00 0.04 0.00 0.00 55.36 54.30 2jya s GLN 50 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 33.01 31.04 2jya s GLN 50 CO 0.00 0.51 -0.08 0.08 -2.54 0.00 0.00 175.29 173.25 2jya s VAL 51 N -0.83 0.63 -0.01 3.63 1.01 -1.16 -4.88 120.40 118.78 2jya s VAL 51 Ca 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2jya s VAL 51 Cb -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2jya s VAL 51 CO 0.03 -0.17 0.00 -1.59 0.00 0.00 0.00 175.10 173.36 2jya s LYS 52 N -1.11 0.14 0.26 2.72 -2.85 -1.26 -1.95 119.74 115.69 2jya s LYS 52 Ca -0.04 0.04 0.10 0.00 -1.00 0.00 0.00 55.97 55.07 2jya s LYS 52 Cb -0.07 -0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.39 2jya s LYS 52 CO 0.00 -0.07 -0.01 -0.51 0.10 0.00 0.00 175.35 174.87 2jya s LEU 53 N 0.56 3.17 -0.08 2.77 2.01 -0.21 -4.97 118.68 121.93 2jya s LEU 53 Ca -0.05 -0.66 0.03 0.00 0.01 0.00 0.00 54.13 53.46 2jya s LEU 53 Cb -0.08 -1.70 0.01 0.00 0.01 0.00 0.00 46.19 44.44 2jya s LEU 53 CO -0.01 0.00 -0.16 0.42 1.01 0.00 0.00 176.35 177.61 2jya s THR 54 N -2.32 1.44 0.10 5.49 -4.23 -1.26 -0.98 115.64 113.88 2jya s THR 54 Ca 0.31 -0.66 0.07 0.00 -1.18 0.00 0.00 61.69 60.24 2jya s THR 54 Cb -0.06 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.46 2jya s THR 54 CO 0.20 0.42 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.16 2jya s PHE 55 N 0.57 1.59 0.16 3.99 0.40 -0.32 -5.00 117.98 119.38 2jya s PHE 55 Ca -0.16 -0.44 0.18 0.00 -0.60 0.00 0.00 56.93 55.92 2jya s PHE 55 Cb -0.16 -0.87 0.65 0.00 0.51 0.00 0.00 43.02 43.15 2jya s PHE 55 CO 0.05 0.16 1.72 0.93 0.70 0.00 0.00 175.22 178.78 2jya h GLU 56 N 4.09 0.00 -5.20 0.44 5.08 -1.97 -1.14 114.58 115.89 2jya h GLU 56 Ca -0.44 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.56 2jya h GLU 56 Cb 1.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 2jya h GLU 56 CO 0.41 0.38 -0.72 0.95 -1.00 0.00 0.00 179.01 179.03 2jya s THR 57 N -3.59 1.31 0.24 1.13 -4.23 -1.26 -4.58 115.64 104.65 2jya s THR 57 Ca 0.00 -2.08 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 2jya s THR 57 Cb 0.11 -1.88 0.18 0.00 1.34 0.00 0.00 72.50 72.25 2jya s THR 57 CO 0.69 -0.70 1.82 -0.61 -0.54 0.00 0.00 174.62 175.28 2jya h GLN 58 N 2.76 1.13 -0.92 3.99 4.15 -1.96 -3.21 115.11 121.06 2jya h GLN 58 Ca -0.37 -0.18 0.10 0.00 0.77 0.00 0.00 58.65 58.97 2jya h GLN 58 Cb 1.20 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 28.62 2jya h GLN 58 CO 0.63 0.90 0.56 0.93 -1.93 0.00 0.00 178.83 179.91 2jya h GLU 59 N 1.12 0.91 -0.14 1.69 3.07 -1.99 0.40 114.58 119.64 2jya h GLU 59 Ca 0.26 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 2jya h GLU 59 Cb 0.16 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2jya h GLU 59 CO -0.03 0.60 -0.36 1.96 -1.40 0.00 0.00 179.01 179.78 2jya h GLN 60 N 0.93 0.28 0.21 2.33 4.20 -1.97 -1.67 115.11 119.41 2jya h GLN 60 Ca 0.44 -0.12 -0.30 0.00 0.06 0.00 0.00 58.65 58.73 2jya h GLN 60 Cb 0.38 -0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.17 2jya h GLN 60 CO -0.24 0.61 -1.36 0.00 -0.67 0.00 0.00 178.83 177.16 2jya h ALA 61 N 1.39 -0.07 -0.31 3.87 0.00 -1.23 -2.72 119.26 120.19 2jya h ALA 61 Ca 0.03 -0.89 -0.17 0.00 0.00 0.00 0.00 54.91 53.89 2jya h ALA 61 Cb 0.75 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jya h ALA 61 CO 0.06 0.68 -0.46 1.05 0.00 0.00 0.00 179.25 180.58 2jya h GLU 62 N -0.02 0.82 -0.03 0.00 4.11 -1.03 -2.58 114.58 115.85 2jya h GLU 62 Ca -0.25 -0.47 -0.02 0.00 0.07 0.00 0.00 59.36 58.69 2jya h GLU 62 Cb 2.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 2jya h GLU 62 CO 0.21 1.10 -0.10 0.00 0.07 0.00 0.00 179.01 180.30 2jya h ALA 63 N 0.82 1.78 0.78 1.06 0.00 -1.39 -0.08 119.26 122.22 2jya h ALA 63 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2jya h ALA 63 Cb 1.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2jya h ALA 63 CO 0.10 0.16 -0.37 -0.92 0.00 0.00 0.00 179.25 178.22 2jya h TYR 64 N 0.04 -0.97 -0.73 0.00 3.20 -1.14 -1.44 116.97 115.94 2jya h TYR 64 Ca 0.01 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.95 2jya h TYR 64 Cb 0.20 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 2jya h TYR 64 CO 0.00 -0.59 0.38 0.00 -1.64 0.00 0.00 178.16 176.31 2jya h ALA 65 N -1.13 1.01 -0.47 1.82 0.00 -1.27 -2.15 119.26 117.06 2jya h ALA 65 Ca -0.11 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jya h ALA 65 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2jya h ALA 65 CO 0.18 -0.01 0.03 1.96 0.00 0.00 0.00 179.25 181.40 2jya h GLN 66 N 0.64 0.81 -0.91 0.00 4.20 -1.06 0.51 115.11 119.30 2jya h GLN 66 Ca 0.35 -0.24 0.10 0.00 0.06 0.00 0.00 58.65 58.92 2jya h GLN 66 Cb 0.35 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 2jya h GLN 66 CO -0.26 0.85 0.59 -0.09 -0.67 0.00 0.00 178.83 179.25 2jya h ARG 67 N 0.67 0.87 0.00 1.46 2.43 -0.92 -2.09 114.38 116.80 2jya h ARG 67 Ca 0.14 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 2jya h ARG 67 Cb 0.46 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2jya h ARG 67 CO 0.02 0.57 -0.70 0.87 -1.51 0.00 0.00 179.97 179.22 2jya h LYS 68 N 0.89 0.00 0.00 0.20 1.79 -0.93 -3.48 116.57 115.05 2jya h LYS 68 Ca 0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.90 2jya h LYS 68 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2jya h LYS 68 CO -0.19 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2jya n GLY 69 N 1.27 0.70 3.61 3.86 0.00 0.31 -5.04 105.19 109.90 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 1.39 0.00 0.00 0.00 173.32 174.71 2jya n ILE 70 N -2.00 0.43 -1.64 -0.61 5.41 0.15 -4.90 119.36 116.19 2jya n ILE 70 Ca 0.00 -0.39 -0.46 0.00 1.00 0.00 0.00 62.75 62.90 2jya n ILE 70 Cb 0.00 -2.49 -0.03 0.00 -0.71 0.00 0.00 39.64 36.41 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 8.49 1.78 -3.88 0.38 0.28 -1.25 -4.22 120.64 122.22 2jya n GLU 71 Ca 0.28 0.63 -0.11 0.00 -0.16 0.00 0.00 57.16 57.80 2jya n GLU 71 Cb 0.43 -2.23 -0.11 0.00 1.43 0.00 0.00 31.44 30.96 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 -0.22 0.02 -0.20 -1.84 1.13 -1.26 -1.26 117.35 113.73 2jya s TYR 72 Ca 0.68 -0.05 0.01 0.00 -1.41 0.00 0.00 57.07 56.30 2jya s TYR 72 Cb -0.70 -0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.17 2jya s TYR 72 CO 0.52 -0.17 -0.08 0.50 -2.51 0.00 0.00 175.55 173.80 2jya s ARG 73 N -0.82 1.83 0.16 -3.49 3.00 -0.31 -4.95 118.95 114.37 2jya s ARG 73 Ca -0.09 -0.79 -0.25 0.00 -1.00 0.00 0.00 55.73 53.60 2jya s ARG 73 Cb -0.05 -2.35 -0.08 0.00 0.00 0.00 0.00 34.95 32.47 2jya s ARG 73 CO 0.00 -0.46 0.76 0.14 0.00 0.00 0.00 175.30 175.75 2jya s VAL 74 N 1.45 4.40 -0.15 7.11 -7.23 -1.26 -2.82 120.40 121.89 2jya s VAL 74 Ca -0.02 1.66 0.00 0.00 -1.81 0.00 0.00 61.98 61.82 2jya s VAL 74 Cb -0.16 -4.12 -0.00 0.00 0.56 0.00 0.00 36.38 32.65 2jya s VAL 74 CO -0.08 0.53 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.46 2jya s ILE 75 N -1.14 2.75 0.41 -0.62 1.09 0.20 -4.93 121.20 118.95 2jya s ILE 75 Ca 0.35 -0.75 -0.25 0.00 -1.10 0.00 0.00 60.65 58.90 2jya s ILE 75 Cb -0.23 -2.16 -0.08 0.00 -1.06 0.00 0.00 42.46 38.93 2jya s ILE 75 CO 0.26 0.51 1.20 -0.76 -0.10 0.00 0.00 174.94 176.05 2jya s LEU 76 N 0.73 4.17 0.97 2.97 1.43 -1.26 -4.20 118.68 123.49 2jya s LEU 76 Ca -0.06 2.42 -0.16 0.00 -1.03 0.00 0.00 54.13 55.30 2jya s LEU 76 Cb -0.15 -4.02 0.19 0.00 0.03 0.00 0.00 46.19 42.24 2jya s LEU 76 CO 0.01 -0.76 1.29 -2.16 0.23 0.00 0.00 176.35 174.96 2jya s PRO 77 N -2.33 0.63 0.40 1.29 0.04 -1.26 -4.84 135.00 128.92 2jya s PRO 77 Ca 0.58 -0.32 0.28 0.00 0.04 0.00 0.00 61.00 61.58 2jya s PRO 77 Cb -0.32 -1.84 1.31 0.00 0.04 0.00 0.00 34.50 33.69 2jya s PRO 77 CO 0.41 -2.44 1.85 1.57 0.04 0.00 0.00 177.00 178.43 2jya h LYS 78 N -1.66 0.00 -0.96 4.56 -0.00 -1.92 -2.70 116.57 113.88 2jya h LYS 78 Ca -0.45 0.00 -0.61 0.00 -0.00 0.00 0.00 60.65 59.60 2jya h LYS 78 Cb 1.25 0.00 -0.37 0.00 -0.00 0.00 0.00 32.23 33.11 2jya h LYS 78 CO 0.41 0.00 -0.15 -0.85 -0.00 0.00 0.00 179.45 178.86 2jya n GLU 79 N -2.56 3.25 0.00 0.07 0.28 -1.26 -5.18 120.64 115.24 2jya n GLU 79 Ca 0.00 -3.87 0.05 0.00 -0.16 0.00 0.00 57.16 53.18 2jya n GLU 79 Cb 0.18 -2.28 0.28 0.00 1.43 0.00 0.00 31.44 31.05 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97