#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 3.39 -0.21 7.83 0.01 -1.26 -4.03 113.70 119.43 2jya s SER 2 Ca 0.00 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 2jya s SER 2 Cb 0.00 -1.06 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 2jya s SER 2 CO 0.00 -0.21 0.19 0.00 0.41 0.00 0.00 173.24 173.63 2jya s ALA 3 N 1.51 3.63 -0.22 1.44 0.00 -0.42 -3.02 121.76 124.69 2jya s ALA 3 Ca -0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 2jya s ALA 3 Cb -0.17 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 2jya s ALA 3 CO -0.07 -0.03 -0.01 -1.59 0.00 0.00 0.00 175.76 174.06 2jya s LYS 4 N 0.74 3.53 -0.26 0.00 -2.85 0.03 -1.73 119.74 119.19 2jya s LYS 4 Ca 0.10 -0.56 -0.09 0.00 -1.00 0.00 0.00 55.97 54.43 2jya s LYS 4 Cb -0.13 -3.09 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 2jya s LYS 4 CO 0.02 -0.10 0.12 0.42 0.10 0.00 0.00 175.35 175.91 2jya s ILE 5 N 1.29 4.73 0.30 3.79 1.09 -1.03 -2.13 121.20 129.24 2jya s ILE 5 Ca 0.04 -0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2jya s ILE 5 Cb -0.15 -3.24 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 2jya s ILE 5 CO 0.00 0.29 0.34 -0.72 -0.10 0.00 0.00 174.94 174.75 2jya s TYR 6 N 1.67 1.28 -0.28 3.97 1.13 -0.88 -0.55 117.35 123.69 2jya s TYR 6 Ca 0.07 -1.40 -0.03 0.00 -1.41 0.00 0.00 57.07 54.29 2jya s TYR 6 Cb -0.16 -0.39 0.11 0.00 -1.10 0.00 0.00 41.96 40.43 2jya s TYR 6 CO 0.07 -0.93 0.19 0.50 -2.51 0.00 0.00 175.55 172.86 2jya s ARG 7 N -3.49 0.23 0.03 -3.49 3.52 -1.26 -0.23 118.95 114.26 2jya s ARG 7 Ca 0.35 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 2jya s ARG 7 Cb 0.02 -1.01 -0.05 0.00 -1.56 0.00 0.00 34.95 32.34 2jya s ARG 7 CO 0.21 -0.99 1.28 -2.14 -0.81 0.00 0.00 175.30 172.84 2jya s PRO 8 N 2.20 4.36 0.39 5.12 0.02 -1.26 -4.53 135.00 141.30 2jya s PRO 8 Ca 0.09 1.85 0.14 0.00 0.02 0.00 0.00 61.00 63.09 2jya s PRO 8 Cb -0.15 -3.44 0.81 0.00 0.02 0.00 0.00 34.50 31.74 2jya s PRO 8 CO -0.34 -0.41 1.87 0.00 -0.33 0.00 0.00 177.00 177.79 2jya h ALA 9 N 7.24 1.44 -0.19 -1.55 0.00 -1.94 -2.95 119.26 121.30 2jya h ALA 9 Ca -0.39 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2jya h ALA 9 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jya h ALA 9 CO 0.86 0.40 0.00 0.36 0.00 0.00 0.00 179.25 180.87 2jya n LYS 10 N -4.11 1.64 0.19 0.00 -0.00 -1.26 -4.16 118.16 110.46 2jya n LYS 10 Ca -0.02 -0.97 0.04 0.00 -0.00 0.00 0.00 58.31 57.36 2jya n LYS 10 Cb 0.37 -1.33 0.38 0.00 -0.00 0.00 0.00 35.03 34.44 2jya n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jya h THR 11 N 1.82 1.14 -2.87 0.58 1.03 -1.83 -3.46 112.91 109.33 2jya h THR 11 Ca 0.00 -1.31 0.02 0.00 -0.01 0.00 0.00 66.41 65.11 2jya h THR 11 Cb 0.40 1.73 -0.11 0.00 -1.07 0.00 0.00 68.15 69.11 2jya h THR 11 CO 0.00 0.36 0.27 0.00 -0.01 0.00 0.00 175.52 176.14 2jya s ALA 12 N -4.04 -1.56 -0.33 0.00 0.00 -1.25 -5.09 121.76 109.48 2jya s ALA 12 Ca -0.02 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 2jya s ALA 12 Cb 0.14 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 2jya s ALA 12 CO 0.71 -0.82 2.08 0.00 0.00 0.00 0.00 175.76 177.73 2jya s MET 13 N -3.67 2.99 -0.48 0.00 0.23 -1.26 -4.87 119.30 112.24 2jya s MET 13 Ca 0.04 1.61 -0.27 0.00 -1.03 0.00 0.00 55.69 56.05 2jya s MET 13 Cb -0.02 -4.35 -0.05 0.00 -1.53 0.00 0.00 34.83 28.88 2jya s MET 13 CO -0.08 -2.27 2.19 -0.65 -2.03 0.00 0.00 175.02 172.18 2jya s GLN 14 N 6.49 2.46 -0.25 3.16 -0.21 -1.26 -4.85 119.66 125.20 2jya s GLN 14 Ca 0.91 1.28 0.02 0.00 0.02 0.00 0.00 55.36 57.59 2jya s GLN 14 Cb -0.25 -4.48 0.38 0.00 1.00 0.00 0.00 33.01 29.66 2jya s GLN 14 CO 0.32 -2.88 1.50 0.45 -2.12 0.00 0.00 175.29 172.56 2jya n SER 15 N 14.12 3.43 -1.55 5.90 2.88 -1.26 -4.79 113.62 132.34 2jya n SER 15 Ca 0.30 -2.88 -0.12 0.00 -1.33 0.00 0.00 58.87 54.84 2jya n SER 15 Cb 0.52 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.39 -0.07 3.14 0.46 0.00 -1.26 -5.03 105.19 102.03 2jya n GLY 16 Ca 0.33 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.72 0.16 0.21 2.61 -1.32 -1.26 -5.06 115.64 108.26 2jya s THR 17 Ca 0.07 -1.31 0.11 0.00 -1.21 0.00 0.00 61.69 59.35 2jya s THR 17 Cb -0.03 -1.20 -0.05 0.00 -1.51 0.00 0.00 72.50 69.71 2jya s THR 17 CO 0.09 -0.72 1.54 0.00 -2.21 0.00 0.00 174.62 173.31 2jya h ALA 18 N 3.24 0.81 -0.58 11.08 0.00 -1.96 -3.32 119.26 128.54 2jya h ALA 18 Ca -0.33 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 2jya h ALA 18 Cb 1.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2jya h ALA 18 CO 0.56 0.85 0.30 -0.22 0.00 0.00 0.00 179.25 180.75 2jya h LYS 19 N 0.00 0.79 0.00 0.00 1.63 -1.97 -2.22 116.57 114.80 2jya h LYS 19 Ca -0.01 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2jya h LYS 19 Cb 1.25 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 2jya h LYS 19 CO 0.09 0.60 0.00 0.25 -3.45 0.00 0.00 179.45 176.93 2jya n THR 20 N -4.38 0.51 -3.90 1.00 -2.24 -1.25 -4.20 114.28 99.83 2jya n THR 20 Ca 0.05 0.13 -0.30 0.00 -2.27 0.00 0.00 64.05 61.66 2jya n THR 20 Cb 0.11 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.31 2jya n THR 20 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jya s ASN 21 N -2.54 3.62 0.34 3.42 0.02 -0.84 -3.94 114.94 115.03 2jya s ASN 21 Ca 0.16 -1.09 0.07 0.00 -1.02 0.00 0.00 52.86 50.98 2jya s ASN 21 Cb 0.11 -1.05 -0.03 0.00 0.02 0.00 0.00 41.25 40.30 2jya s ASN 21 CO 0.24 -0.25 0.31 0.68 0.02 0.00 0.00 177.10 178.10 2jya s VAL 22 N 1.50 3.56 -0.07 1.60 -7.23 -1.26 -4.92 120.40 113.57 2jya s VAL 22 Ca -0.05 -1.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.59 2jya s VAL 22 Cb -0.18 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 2jya s VAL 22 CO -0.07 -0.17 0.54 0.26 -0.31 0.00 0.00 175.10 175.35 2jya s TRP 23 N -2.30 3.58 -0.13 2.82 0.52 -0.13 -4.19 118.94 119.11 2jya s TRP 23 Ca 0.41 1.03 -0.07 0.00 0.02 0.00 0.00 56.10 57.49 2jya s TRP 23 Cb -0.06 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 2jya s TRP 23 CO 0.27 0.23 0.14 0.08 0.02 0.00 0.00 176.95 177.69 2jya s VAL 24 N 0.35 5.49 -0.37 4.03 1.01 0.68 -1.00 120.40 130.59 2jya s VAL 24 Ca 0.29 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2jya s VAL 24 Cb -0.16 -3.40 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2jya s VAL 24 CO 0.13 0.61 0.15 -0.22 0.00 0.00 0.00 175.10 175.77 2jya s LEU 25 N -0.93 4.75 -0.16 3.92 1.98 -0.23 -2.08 118.68 125.93 2jya s LEU 25 Ca 0.14 -1.58 -0.00 0.00 -2.89 0.00 0.00 54.13 49.81 2jya s LEU 25 Cb -0.12 -1.85 -0.00 0.00 0.66 0.00 0.00 46.19 44.88 2jya s LEU 25 CO 0.04 -0.44 -0.15 -0.70 -1.89 0.00 0.00 176.35 173.21 2jya s GLU 26 N 1.28 3.21 0.03 1.98 -6.30 -0.90 -0.87 118.70 117.13 2jya s GLU 26 Ca 0.02 -0.74 -0.02 0.00 -2.50 0.00 0.00 54.97 51.73 2jya s GLU 26 Cb -0.22 -2.66 -0.02 0.00 0.00 0.00 0.00 34.13 31.24 2jya s GLU 26 CO -0.01 -0.02 0.00 -0.59 0.02 0.00 0.00 175.26 174.66 2jya s PHE 27 N 0.92 0.30 -0.77 5.30 -0.71 -0.92 -0.79 117.98 121.31 2jya s PHE 27 Ca -0.03 -0.64 -0.26 0.00 -1.04 0.00 0.00 56.93 54.97 2jya s PHE 27 Cb -0.15 -0.22 -0.14 0.00 -1.21 0.00 0.00 43.02 41.30 2jya s PHE 27 CO -0.02 -0.27 2.42 -3.47 -1.34 0.00 0.00 175.22 172.54 2jya n ASP 28 N 1.08 1.80 -4.56 1.98 2.03 -1.17 -2.72 116.55 115.01 2jya n ASP 28 Ca -0.21 -1.39 -0.37 0.00 0.52 0.00 0.00 54.79 53.34 2jya n ASP 28 Cb 0.57 -1.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.30 2jya n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jya s ALA 29 N 14.42 2.43 -1.56 -1.67 0.00 0.51 -3.91 121.76 131.98 2jya s ALA 29 Ca 0.94 -1.82 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2jya s ALA 29 Cb -0.15 -4.48 -0.07 0.00 0.00 0.00 0.00 23.12 18.43 2jya s ALA 29 CO 0.11 -3.87 2.79 -0.85 0.00 0.00 0.00 175.76 173.94 2jya n GLU 30 N 8.98 3.46 -2.02 0.00 0.28 -1.26 -3.10 120.64 126.98 2jya n GLU 30 Ca 0.29 -2.23 -0.42 0.00 -0.16 0.00 0.00 57.16 54.64 2jya n GLU 30 Cb 0.50 -2.87 -0.03 0.00 1.43 0.00 0.00 31.44 30.47 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 2.44 3.33 -0.45 3.84 0.11 -1.26 -4.97 120.40 123.44 2jya s VAL 31 Ca 0.64 0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 60.10 2jya s VAL 31 Cb 0.17 -3.44 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 2jya s VAL 31 CO -0.06 -0.02 1.35 -2.16 -3.33 0.00 0.00 175.10 170.88 2jya s PRO 32 N 2.89 3.57 -0.22 1.54 0.04 -1.26 -4.85 135.00 136.70 2jya s PRO 32 Ca 0.71 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2jya s PRO 32 Cb -0.36 -4.01 -0.19 0.00 0.04 0.00 0.00 34.50 29.97 2jya s PRO 32 CO 0.30 -1.58 -0.08 0.54 0.04 0.00 0.00 177.00 176.22 2jya n ARG 33 N 8.11 0.68 -2.67 4.56 3.00 -1.26 -5.08 116.66 124.00 2jya n ARG 33 Ca 0.15 0.19 -0.00 0.00 -0.01 0.00 0.00 57.85 58.17 2jya n ARG 33 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.37 2jya n ARG 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2jya n LYS 34 N -3.36 -3.38 -1.79 5.56 4.76 -1.26 -4.89 118.16 113.80 2jya n LYS 34 Ca -0.43 2.71 -0.42 0.00 -2.87 0.00 0.00 58.31 57.31 2jya n LYS 34 Cb 1.00 -5.23 -0.02 0.00 -1.84 0.00 0.00 35.03 28.94 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 -1.58 2.14 0.14 -0.18 -5.25 -1.26 -5.02 121.20 110.20 2jya s ILE 35 Ca 0.00 0.11 0.11 0.00 -0.99 0.00 0.00 60.65 59.88 2jya s ILE 35 Cb -0.00 -3.07 -0.04 0.00 2.95 0.00 0.00 42.46 42.30 2jya s ILE 35 CO 0.76 0.01 -0.25 -0.62 -1.79 0.00 0.00 174.94 173.05 2jya s ASP 36 N 0.76 3.43 0.40 4.36 2.15 -1.26 -5.03 116.67 121.48 2jya s ASP 36 Ca 0.67 -0.74 0.24 0.00 0.43 0.00 0.00 52.55 53.15 2jya s ASP 36 Cb -0.48 -0.28 1.30 0.00 -0.30 0.00 0.00 42.92 43.17 2jya s ASP 36 CO 0.41 0.17 1.64 1.55 -0.17 0.00 0.00 175.17 178.77 2jya h PRO 37 N 3.74 0.16 -0.01 4.34 0.13 -1.98 -0.71 132.00 137.66 2jya h PRO 37 Ca -0.50 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 2jya h PRO 37 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2jya h PRO 37 CO 0.42 0.11 -0.66 0.82 -0.23 0.00 0.00 178.00 178.45 2jya h ILE 38 N 0.16 1.46 -0.02 -3.56 1.08 -2.01 -3.04 117.51 111.58 2jya h ILE 38 Ca 0.78 -2.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.01 2jya h ILE 38 Cb 2.21 2.20 -0.00 0.00 -3.07 0.00 0.00 36.82 38.15 2jya h ILE 38 CO -0.49 0.64 0.01 0.24 -0.69 0.00 0.00 178.15 177.86 2jya h MET 39 N 0.04 0.02 0.00 2.37 2.86 -1.54 -3.46 114.93 115.22 2jya h MET 39 Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jya h MET 39 Cb 1.18 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2jya h MET 39 CO 0.09 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.60 2jya n GLY 40 N -0.79 2.04 2.05 8.32 0.00 -1.04 -4.84 105.19 110.93 2jya n GLY 40 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2jya n GLY 40 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jya n TYR 41 N 0.00 0.66 0.28 1.61 4.11 -1.26 -4.64 117.16 117.92 2jya n TYR 41 Ca 0.00 -1.61 0.12 0.00 -0.00 0.00 0.00 57.90 56.41 2jya n TYR 41 Cb 0.00 -1.28 0.79 0.00 -0.00 0.00 0.00 39.34 38.85 2jya n TYR 41 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 2jya h THR 42 N 1.72 0.67 -0.07 -3.48 2.02 -1.94 0.30 112.91 112.14 2jya h THR 42 Ca 0.23 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 67.07 2jya h THR 42 Cb 1.13 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2jya h THR 42 CO 0.45 0.04 -0.59 0.77 0.37 0.00 0.00 175.52 176.56 2jya h SER 43 N 0.00 0.64 -0.49 4.18 4.64 -2.02 -3.31 113.55 117.18 2jya h SER 43 Ca -0.00 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2jya h SER 43 Cb 0.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2jya h SER 43 CO 0.01 1.23 0.00 -1.20 -0.87 0.00 0.00 176.83 175.99 2jya n SER 44 N -4.18 2.68 -4.56 4.97 7.64 -0.41 -4.80 113.62 114.97 2jya n SER 44 Ca -0.09 -2.02 -0.32 0.00 1.01 0.00 0.00 58.87 57.45 2jya n SER 44 Cb 0.65 -0.34 -0.04 0.00 -1.01 0.00 0.00 64.21 63.47 2jya n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jya s SER 45 N -0.98 5.40 0.93 6.43 1.04 -0.04 -4.97 113.70 121.51 2jya s SER 45 Ca 0.33 -0.52 -0.14 0.00 0.48 0.00 0.00 55.95 56.10 2jya s SER 45 Cb 0.17 -2.55 0.15 0.00 0.10 0.00 0.00 66.02 63.89 2jya s SER 45 CO 0.22 -2.45 1.18 1.51 0.98 0.00 0.00 173.24 174.68 2jya s ASP 46 N 7.43 3.40 1.16 7.02 -4.77 -1.26 -5.05 116.67 124.59 2jya s ASP 46 Ca 0.64 0.77 -0.19 0.00 -3.30 0.00 0.00 52.55 50.47 2jya s ASP 46 Cb -0.07 -1.19 0.27 0.00 -1.09 0.00 0.00 42.92 40.83 2jya s ASP 46 CO 0.04 -2.60 1.15 0.00 0.70 0.00 0.00 175.17 174.46 2jya s MET 47 N -5.47 -0.87 0.50 2.11 0.23 -1.26 -5.00 119.30 109.53 2jya s MET 47 Ca 0.66 -0.13 -0.23 0.00 -1.03 0.00 0.00 55.69 54.97 2jya s MET 47 Cb -0.11 -1.64 -0.07 0.00 -1.53 0.00 0.00 34.83 31.47 2jya s MET 47 CO 0.53 -3.47 1.18 0.36 -2.03 0.00 0.00 175.02 171.59 2jya n LYS 48 N -4.57 1.53 -0.50 3.16 0.00 -1.26 -5.05 118.16 111.47 2jya n LYS 48 Ca 0.13 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 2jya n LYS 48 Cb 0.59 -2.33 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 2jya n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jya n GLN 49 N -0.47 1.93 -3.71 -1.58 10.64 -1.18 -4.92 117.38 118.08 2jya n GLN 49 Ca 0.10 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 55.04 2jya n GLN 49 Cb 0.43 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.63 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 0.38 0.33 0.39 2.61 0.00 -1.26 -0.36 119.66 121.75 2jya s GLN 50 Ca 0.00 0.11 0.08 0.00 -0.00 0.00 0.00 55.36 55.54 2jya s GLN 50 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 33.01 31.92 2jya s GLN 50 CO 0.00 -0.40 0.36 0.14 0.00 0.00 0.00 175.29 175.39 2jya s VAL 51 N 2.04 2.92 0.01 3.63 -7.23 -1.10 -4.89 120.40 115.78 2jya s VAL 51 Ca 0.04 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2jya s VAL 51 Cb -0.13 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.74 2jya s VAL 51 CO -0.05 -0.05 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.01 2jya s LYS 52 N -4.10 0.66 0.19 4.82 -2.85 -1.26 -2.17 119.74 115.03 2jya s LYS 52 Ca 0.46 -0.44 0.11 0.00 -1.00 0.00 0.00 55.97 55.10 2jya s LYS 52 Cb -0.04 -0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 35.08 2jya s LYS 52 CO 0.28 0.16 -0.21 -0.51 0.10 0.00 0.00 175.35 175.17 2jya s LEU 53 N -0.58 2.57 -0.09 2.77 1.43 -0.05 -4.97 118.68 119.75 2jya s LEU 53 Ca 0.01 -0.79 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2jya s LEU 53 Cb -0.05 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2jya s LEU 53 CO 0.00 0.12 -0.22 0.42 0.23 0.00 0.00 176.35 176.90 2jya s THR 54 N -1.64 1.92 0.11 5.49 -4.23 -1.26 -1.07 115.64 114.95 2jya s THR 54 Ca 0.21 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.84 2jya s THR 54 Cb -0.08 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2jya s THR 54 CO 0.11 0.53 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.21 2jya s PHE 55 N 0.30 1.41 0.32 3.99 0.08 -0.17 -5.01 117.98 118.90 2jya s PHE 55 Ca -0.16 -0.52 0.06 0.00 0.12 0.00 0.00 56.93 56.43 2jya s PHE 55 Cb -0.17 -0.75 0.55 0.00 -0.57 0.00 0.00 43.02 42.08 2jya s PHE 55 CO 0.07 0.14 1.78 0.93 -0.10 0.00 0.00 175.22 178.04 2jya h GLU 56 N 3.69 0.31 -4.77 0.44 4.39 -1.96 -0.33 114.58 116.34 2jya h GLU 56 Ca -0.41 -0.11 -0.26 0.00 0.34 0.00 0.00 59.36 58.93 2jya h GLU 56 Cb 1.19 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 2jya h GLU 56 CO 0.48 0.56 -0.70 0.95 -1.16 0.00 0.00 179.01 179.14 2jya s THR 57 N -4.43 0.80 0.17 1.13 -4.23 -1.26 -4.35 115.64 103.47 2jya s THR 57 Ca -0.05 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.34 2jya s THR 57 Cb 0.14 -1.78 0.06 0.00 1.34 0.00 0.00 72.50 72.25 2jya s THR 57 CO 0.76 -0.79 1.81 -0.61 -0.54 0.00 0.00 174.62 175.26 2jya h GLN 58 N 2.88 0.56 -0.88 3.99 4.15 -1.94 -3.09 115.11 120.79 2jya h GLN 58 Ca -0.36 -0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.21 2jya h GLN 58 Cb 1.18 -0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.63 2jya h GLN 58 CO 0.64 0.37 0.43 0.93 -1.93 0.00 0.00 178.83 179.27 2jya h GLU 59 N 0.58 0.52 -0.03 1.69 5.08 -1.98 -0.48 114.58 119.96 2jya h GLU 59 Ca 0.19 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2jya h GLU 59 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jya h GLU 59 CO -0.09 0.35 -0.56 1.96 -1.00 0.00 0.00 179.01 179.67 2jya h GLN 60 N 0.54 0.08 0.24 2.33 4.20 -1.97 -1.42 115.11 119.11 2jya h GLN 60 Ca 0.51 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.83 2jya h GLN 60 Cb 0.84 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.65 2jya h GLN 60 CO -0.43 0.62 -1.55 0.00 -0.67 0.00 0.00 178.83 176.80 2jya h ALA 61 N 1.37 -0.08 0.03 3.87 0.00 -1.31 -3.11 119.26 120.03 2jya h ALA 61 Ca -0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 54.91 53.70 2jya h ALA 61 Cb 1.01 0.25 0.02 0.00 0.00 0.00 0.00 17.79 19.07 2jya h ALA 61 CO 0.08 0.79 -1.09 1.05 0.00 0.00 0.00 179.25 180.07 2jya h GLU 62 N 0.14 0.68 0.00 0.00 4.11 -1.16 -2.93 114.58 115.42 2jya h GLU 62 Ca -0.28 -0.77 -0.05 0.00 0.07 0.00 0.00 59.36 58.33 2jya h GLU 62 Cb 2.15 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 31.62 2jya h GLU 62 CO 0.25 1.34 -0.23 0.00 0.07 0.00 0.00 179.01 180.44 2jya h ALA 63 N 0.38 1.20 0.18 1.06 0.00 -1.40 -0.58 119.26 120.10 2jya h ALA 63 Ca -0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2jya h ALA 63 Cb 1.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2jya h ALA 63 CO 0.21 0.29 -0.09 -0.92 0.00 0.00 0.00 179.25 178.75 2jya h TYR 64 N 0.00 -0.23 -0.52 0.00 3.20 -1.53 -1.74 116.97 116.15 2jya h TYR 64 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2jya h TYR 64 Cb 0.57 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 2jya h TYR 64 CO 0.00 0.06 0.19 0.00 -1.64 0.00 0.00 178.16 176.77 2jya h ALA 65 N 0.24 0.64 -0.31 1.82 0.00 -1.28 -2.54 119.26 117.83 2jya h ALA 65 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jya h ALA 65 Cb 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jya h ALA 65 CO 0.04 -0.21 0.16 1.96 0.00 0.00 0.00 179.25 181.20 2jya h GLN 66 N 0.36 0.32 -0.29 0.00 4.20 -1.12 0.46 115.11 119.04 2jya h GLN 66 Ca 0.25 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.96 2jya h GLN 66 Cb 0.27 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2jya h GLN 66 CO -0.25 0.21 0.19 -0.09 -0.67 0.00 0.00 178.83 178.22 2jya h ARG 67 N 0.33 0.32 0.00 1.46 2.43 -1.07 -1.59 114.38 116.26 2jya h ARG 67 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jya h ARG 67 Cb 0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2jya h ARG 67 CO -0.08 0.21 -0.89 1.63 -1.51 0.00 0.00 179.97 179.33 2jya n LYS 68 N -4.49 0.14 -0.23 0.20 4.76 -0.96 -4.96 118.16 112.61 2jya n LYS 68 Ca 0.02 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2jya n LYS 68 Cb 0.12 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 1.44 1.04 3.60 0.72 0.00 0.30 -5.01 105.19 107.27 2jya n GLY 69 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 0.44 -1.69 -0.61 5.41 0.14 -4.90 119.36 116.14 2jya n ILE 70 Ca 0.00 -0.30 -0.44 0.00 1.00 0.00 0.00 62.75 63.00 2jya n ILE 70 Cb 0.00 -2.23 -0.03 0.00 -0.71 0.00 0.00 39.64 36.67 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 8.06 2.19 -3.91 0.38 0.28 -1.26 -4.25 120.64 122.13 2jya n GLU 71 Ca 0.29 0.78 -0.10 0.00 -0.16 0.00 0.00 57.16 57.96 2jya n GLU 71 Cb 0.37 -2.48 -0.10 0.00 1.43 0.00 0.00 31.44 30.66 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 0.09 0.11 0.00 -1.84 -0.85 -1.26 -1.30 117.35 112.31 2jya s TYR 72 Ca 0.69 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 57.00 2jya s TYR 72 Cb -0.62 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 2jya s TYR 72 CO 0.48 -0.25 -0.09 0.50 -1.52 0.00 0.00 175.55 174.67 2jya s ARG 73 N -1.39 0.68 -0.10 -3.49 3.00 -0.71 -4.96 118.95 111.98 2jya s ARG 73 Ca -0.15 -0.37 -0.04 0.00 -1.00 0.00 0.00 55.73 54.17 2jya s ARG 73 Cb -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 34.95 34.18 2jya s ARG 73 CO 0.01 0.17 0.06 0.14 0.00 0.00 0.00 175.30 175.68 2jya s VAL 74 N -0.33 4.84 -0.22 7.11 -7.23 -1.26 -2.47 120.40 120.84 2jya s VAL 74 Ca 0.02 -0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 2jya s VAL 74 Cb -0.04 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 2jya s VAL 74 CO -0.00 0.61 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.77 2jya s ILE 75 N -0.94 3.81 0.31 -0.62 1.09 0.29 -4.93 121.20 120.21 2jya s ILE 75 Ca 0.14 -0.35 -0.28 0.00 -1.10 0.00 0.00 60.65 59.06 2jya s ILE 75 Cb -0.12 -2.74 -0.09 0.00 -1.06 0.00 0.00 42.46 38.45 2jya s ILE 75 CO 0.03 0.41 1.04 -0.76 -0.10 0.00 0.00 174.94 175.56 2jya s LEU 76 N 1.31 4.43 0.00 2.97 1.43 -1.26 -4.17 118.68 123.39 2jya s LEU 76 Ca 0.04 2.10 -0.07 0.00 -1.03 0.00 0.00 54.13 55.17 2jya s LEU 76 Cb -0.15 -3.83 0.10 0.00 0.03 0.00 0.00 46.19 42.35 2jya s LEU 76 CO 0.00 -0.18 0.52 -0.81 0.23 0.00 0.00 176.35 176.11 2jya n PRO 77 N 0.81 -0.97 0.01 1.29 -0.04 -1.26 -4.89 135.00 129.95 2jya n PRO 77 Ca 0.01 -0.80 -0.01 0.00 -0.04 0.00 0.00 63.50 62.65 2jya n PRO 77 Cb 0.47 -0.60 0.27 0.00 -0.04 0.00 0.00 33.50 33.61 2jya n PRO 77 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2jya h LYS 78 N 0.00 0.49 0.00 0.54 -0.00 -1.98 -3.11 116.57 112.51 2jya h LYS 78 Ca -0.17 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.65 60.30 2jya h LYS 78 Cb 0.50 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 32.66 2jya h LYS 78 CO 0.12 0.58 -0.30 1.05 -0.00 0.00 0.00 179.45 180.90 2jya h GLU 79 N 0.46 0.00 0.00 0.07 4.11 -1.96 -3.54 114.58 113.72 2jya h GLU 79 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2jya h GLU 79 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jya h GLU 79 CO 0.02 0.64 0.00 0.00 0.07 0.00 0.00 179.01 179.75