#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsx s HIS 2 N 0.00 3.44 0.27 1.12 4.02 -1.26 -5.05 115.29 117.83 2jsx s HIS 2 Ca 0.00 0.71 -0.29 0.00 1.02 0.00 0.00 55.06 56.50 2jsx s HIS 2 Cb 0.00 -2.50 -0.09 0.00 -1.02 0.00 0.00 32.58 28.97 2jsx s HIS 2 CO 0.00 0.11 1.20 0.95 1.02 0.00 0.00 174.74 178.01 2jsx s THR 3 N 0.88 3.26 0.23 1.30 -4.23 -1.26 -4.95 115.64 110.88 2jsx s THR 3 Ca 0.21 1.20 -0.31 0.00 -1.18 0.00 0.00 61.69 61.61 2jsx s THR 3 Cb -0.14 -3.77 -0.12 0.00 1.34 0.00 0.00 72.50 69.81 2jsx s THR 3 CO 0.08 0.26 1.66 0.20 -0.54 0.00 0.00 174.62 176.28 2jsx s ASN 4 N -0.46 6.40 0.26 3.99 0.02 -1.26 -4.97 114.94 118.92 2jsx s ASN 4 Ca 0.48 2.87 0.12 0.00 -1.02 0.00 0.00 52.86 55.32 2jsx s ASN 4 Cb -0.35 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.26 2jsx s ASN 4 CO 0.43 -0.94 -0.21 -1.66 0.02 0.00 0.00 177.10 174.75 2jsx s TRP 5 N 0.75 2.28 -0.06 2.20 1.48 -1.26 -4.44 118.94 119.88 2jsx s TRP 5 Ca 0.70 -0.34 0.00 0.00 -1.06 0.00 0.00 56.10 55.40 2jsx s TRP 5 Cb -0.48 -1.02 -0.03 0.00 -1.16 0.00 0.00 33.47 30.78 2jsx s TRP 5 CO 0.38 0.67 -0.03 -0.65 -4.06 0.00 0.00 176.95 173.25 2jsx s GLN 6 N -3.34 2.83 -0.15 3.25 -0.21 0.16 -4.89 119.66 117.32 2jsx s GLN 6 Ca 0.28 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 55.16 2jsx s GLN 6 Cb -0.06 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.29 2jsx s GLN 6 CO 0.14 0.67 -0.18 0.54 -2.12 0.00 0.00 175.29 174.34 2jsx s VAL 7 N -0.89 2.43 0.05 1.09 0.11 -1.26 -0.82 120.40 121.10 2jsx s VAL 7 Ca 0.14 -0.85 0.01 0.00 -2.93 0.00 0.00 61.98 58.35 2jsx s VAL 7 Cb -0.11 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 2jsx s VAL 7 CO 0.03 0.53 -0.06 0.00 -3.33 0.00 0.00 175.10 172.27 2jsx s SER 9 N -1.91 5.98 -0.16 0.00 0.15 0.22 -1.29 113.70 116.70 2jsx s SER 9 Ca -0.07 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2jsx s SER 9 Cb -0.06 -1.74 0.03 0.00 -1.71 0.00 0.00 66.02 62.53 2jsx s SER 9 CO -0.02 0.18 -0.14 -0.76 1.20 0.00 0.00 173.24 173.70 2jsx s LEU 10 N -2.43 1.81 -0.59 3.45 1.43 0.81 0.32 118.68 123.48 2jsx s LEU 10 Ca 0.32 -0.56 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 2jsx s LEU 10 Cb -0.13 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 44.96 2jsx s LEU 10 CO 0.25 -0.07 0.80 -0.69 0.23 0.00 0.00 176.35 176.87 2jsx s VAL 11 N 1.46 4.62 -0.42 -1.59 1.01 0.03 -0.78 120.40 124.73 2jsx s VAL 11 Ca 0.04 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 2jsx s VAL 11 Cb -0.13 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.75 2jsx s VAL 11 CO -0.11 -1.17 0.50 -0.69 0.00 0.00 0.00 175.10 173.64 2jsx s VAL 12 N 3.27 5.01 -0.23 2.92 1.01 0.11 -0.70 120.40 131.80 2jsx s VAL 12 Ca 0.18 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2jsx s VAL 12 Cb -0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2jsx s VAL 12 CO 0.10 -0.47 0.43 -1.58 0.00 0.00 0.00 175.10 173.59 2jsx s GLN 13 N 2.35 4.12 0.24 2.72 2.00 0.80 -0.64 119.66 131.24 2jsx s GLN 13 Ca 0.15 0.22 0.01 0.00 -2.00 0.00 0.00 55.36 53.74 2jsx s GLN 13 Cb -0.16 -3.59 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 2jsx s GLN 13 CO 0.15 -0.17 0.19 0.00 -0.50 0.00 0.00 175.29 174.96 2jsx s ALA 14 N 1.72 1.29 -0.25 1.58 0.00 -1.13 -0.27 121.76 124.69 2jsx s ALA 14 Ca 0.19 -1.77 -0.36 0.00 0.00 0.00 0.00 51.96 50.03 2jsx s ALA 14 Cb -0.15 1.40 -0.12 0.00 0.00 0.00 0.00 23.12 24.24 2jsx s ALA 14 CO 0.09 -0.62 1.98 1.63 0.00 0.00 0.00 175.76 178.84 2jsx n LYS 15 N -0.37 1.44 -0.19 0.00 4.01 0.52 -4.84 118.16 118.72 2jsx n LYS 15 Ca 0.03 0.48 0.13 0.00 -0.51 0.00 0.00 58.31 58.44 2jsx n LYS 15 Cb 0.65 -2.44 0.45 0.00 -0.51 0.00 0.00 35.03 33.17 2jsx n LYS 15 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2jsx h SER 16 N 10.16 0.50 1.46 4.39 0.02 -1.92 0.04 113.55 128.21 2jsx h SER 16 Ca -0.39 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2jsx h SER 16 Cb 1.30 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jsx h SER 16 CO 0.98 0.27 -0.12 1.05 -1.14 0.00 0.00 176.83 177.87 2jsx h GLU 17 N 0.54 0.00 -0.27 3.45 4.11 -1.96 -3.21 114.58 117.23 2jsx h GLU 17 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2jsx h GLU 17 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jsx h GLU 17 CO -0.14 0.12 0.00 -2.13 0.07 0.00 0.00 179.01 176.93 2jsx n ARG 18 N -3.17 2.69 -0.27 1.06 0.63 -0.07 -4.63 116.66 112.89 2jsx n ARG 18 Ca 0.02 -1.89 0.02 0.00 -0.92 0.00 0.00 57.85 55.08 2jsx n ARG 18 Cb 0.48 -1.22 0.15 0.00 0.45 0.00 0.00 32.46 32.32 2jsx n ARG 18 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jsx h ILE 19 N 1.72 0.91 -0.63 5.15 2.04 -1.36 -1.42 117.51 123.91 2jsx h ILE 19 Ca 0.00 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2jsx h ILE 19 Cb 0.67 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2jsx h ILE 19 CO 0.00 0.13 0.36 0.28 0.00 0.00 0.00 178.15 178.92 2jsx h SER 20 N 0.73 0.55 0.43 1.72 0.02 -1.85 0.28 113.55 115.43 2jsx h SER 20 Ca 0.37 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 2jsx h SER 20 Cb 0.33 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2jsx h SER 20 CO -0.24 0.37 -0.21 0.44 -1.14 0.00 0.00 176.83 176.05 2jsx h ASP 21 N 0.68 -0.49 -0.59 3.07 5.19 -1.73 -2.92 116.42 119.63 2jsx h ASP 21 Ca 0.27 -0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2jsx h ASP 21 Cb 0.13 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 2jsx h ASP 21 CO -0.15 -0.18 0.38 0.40 -3.12 0.00 0.00 179.24 176.57 2jsx h ILE 22 N -0.82 1.13 -0.10 0.35 2.04 -1.05 -1.47 117.51 117.59 2jsx h ILE 22 Ca -0.06 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2jsx h ILE 22 Cb 0.55 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2jsx h ILE 22 CO 0.10 0.14 -0.04 -1.28 0.00 0.00 0.00 178.15 177.07 2jsx h SER 23 N 0.77 0.13 0.54 1.72 0.87 -0.46 0.35 113.55 117.48 2jsx h SER 23 Ca 0.22 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.49 2jsx h SER 23 Cb -0.06 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2jsx h SER 23 CO -0.06 0.20 -1.25 0.74 -0.53 0.00 0.00 176.83 175.92 2jsx h THR 24 N 0.14 1.45 -0.27 2.23 2.02 -1.16 -2.84 112.91 114.48 2jsx h THR 24 Ca 0.03 -2.95 -0.12 0.00 0.77 0.00 0.00 66.41 64.15 2jsx h THR 24 Cb 0.18 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2jsx h THR 24 CO 0.01 0.87 -0.30 1.56 0.37 0.00 0.00 175.52 178.02 2jsx h GLN 25 N 0.10 0.69 -0.28 6.66 4.20 -0.44 -3.13 115.11 122.91 2jsx h GLN 25 Ca -0.15 -0.38 -0.08 0.00 0.06 0.00 0.00 58.65 58.10 2jsx h GLN 25 Cb 1.97 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.75 2jsx h GLN 25 CO 0.21 0.99 -0.18 -0.07 -0.67 0.00 0.00 178.83 179.11 2jsx h LEU 26 N 0.42 0.50 -0.05 1.46 3.38 -0.36 -2.29 115.31 118.37 2jsx h LEU 26 Ca 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jsx h LEU 26 Cb 0.88 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2jsx h LEU 26 CO 0.07 0.70 0.00 -3.20 0.09 0.00 0.00 178.44 176.11 2jsx n ASN 27 N -4.16 0.13 0.01 -0.43 2.85 -1.07 -2.69 115.26 109.89 2jsx n ASN 27 Ca 0.00 0.52 0.12 0.00 -0.11 0.00 0.00 54.58 55.11 2jsx n ASN 27 Cb 0.36 -0.55 0.25 0.00 1.24 0.00 0.00 39.78 41.09 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jsx n ALA 28 N -1.55 3.31 -1.78 5.20 0.00 -0.86 -4.71 120.51 120.12 2jsx n ALA 28 Ca 0.05 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 2jsx n ALA 28 Cb 0.28 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 2jsx n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jsx s PHE 29 N -3.04 2.89 -0.44 0.00 0.08 -1.10 -4.90 117.98 111.46 2jsx s PHE 29 Ca 0.10 1.57 -0.26 0.00 0.12 0.00 0.00 56.93 58.45 2jsx s PHE 29 Cb 0.17 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.36 2jsx s PHE 29 CO 0.69 -1.16 2.39 -2.30 -0.10 0.00 0.00 175.22 174.74 2jsx n PRO 30 N -0.95 1.20 -0.91 0.24 -0.02 -1.26 -1.50 135.00 131.80 2jsx n PRO 30 Ca 0.10 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2jsx n PRO 30 Cb 0.51 -3.42 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 2jsx n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jsx n GLY 31 N 5.97 0.48 3.39 -1.23 0.00 -1.26 -4.89 105.19 107.65 2jsx n GLY 31 Ca 0.36 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2jsx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsx s GLU 33 N 0.38 0.32 -0.59 0.00 2.12 -0.37 -4.28 118.70 116.28 2jsx s GLU 33 Ca -0.09 -0.09 -0.26 0.00 0.36 0.00 0.00 54.97 54.89 2jsx s GLU 33 Cb -0.16 -0.35 0.04 0.00 0.26 0.00 0.00 34.13 33.93 2jsx s GLU 33 CO 0.05 0.03 1.08 0.08 -0.54 0.00 0.00 175.26 175.97 2jsx s VAL 34 N 0.17 4.15 -0.03 3.70 1.01 -1.26 0.06 120.40 128.20 2jsx s VAL 34 Ca -0.01 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.29 2jsx s VAL 34 Cb -0.04 -4.67 -0.32 0.00 0.00 0.00 0.00 36.38 31.34 2jsx s VAL 34 CO -0.00 -1.32 0.83 0.00 0.00 0.00 0.00 175.10 174.60 2jsx h ALA 35 N 9.51 -0.03 -3.85 5.51 0.00 -1.12 -3.43 119.26 125.86 2jsx h ALA 35 Ca -0.26 -0.91 -0.67 0.00 0.00 0.00 0.00 54.91 53.07 2jsx h ALA 35 Cb 1.06 0.27 -0.37 0.00 0.00 0.00 0.00 17.79 18.75 2jsx h ALA 35 CO 1.16 0.69 -0.79 0.08 0.00 0.00 0.00 179.25 180.39 2jsx s VAL 36 N -2.53 2.22 -0.42 0.00 1.01 -1.14 -5.00 120.40 114.55 2jsx s VAL 36 Ca -0.14 -1.63 -0.10 0.00 0.00 0.00 0.00 61.98 60.11 2jsx s VAL 36 Cb 0.03 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 34.18 2jsx s VAL 36 CO 0.87 -0.04 0.27 -0.44 0.00 0.00 0.00 175.10 175.76 2jsx s SER 37 N 1.11 5.70 -0.38 3.32 0.01 -1.26 -0.15 113.70 122.05 2jsx s SER 37 Ca -0.09 -1.46 0.03 0.00 1.31 0.00 0.00 55.95 55.74 2jsx s SER 37 Cb -0.20 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.13 2jsx s SER 37 CO -0.05 -0.54 0.12 -0.62 0.41 0.00 0.00 173.24 172.56 2jsx s ASP 38 N 2.15 4.35 0.19 2.44 2.15 -0.12 -5.00 116.67 122.84 2jsx s ASP 38 Ca 0.03 -2.23 -0.10 0.00 0.43 0.00 0.00 52.55 50.68 2jsx s ASP 38 Cb -0.23 -1.35 0.12 0.00 -0.30 0.00 0.00 42.92 41.16 2jsx s ASP 38 CO 0.03 -0.35 1.78 0.00 -0.17 0.00 0.00 175.17 176.46 2jsx h ALA 39 N 7.43 0.90 -0.65 3.66 0.00 -1.94 -0.39 119.26 128.28 2jsx h ALA 39 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jsx h ALA 39 Cb 0.98 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2jsx h ALA 39 CO 0.53 0.47 0.33 -1.00 0.00 0.00 0.00 179.25 179.58 2jsx h PRO 40 N 0.98 0.57 0.00 0.00 0.13 -1.95 -1.63 132.00 130.10 2jsx h PRO 40 Ca 0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2jsx h PRO 40 Cb 0.13 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jsx h PRO 40 CO -0.03 0.38 -0.74 0.45 -0.23 0.00 0.00 178.00 177.82 2jsx n SER 41 N -4.86 0.64 -0.24 1.44 2.88 -1.24 -4.94 113.62 107.30 2jsx n SER 41 Ca 0.09 -0.07 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2jsx n SER 41 Cb 0.22 0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jsx n GLY 42 N 1.38 0.42 3.41 0.46 0.00 -0.53 -4.99 105.19 105.34 2jsx n GLY 42 Ca 0.03 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2jsx n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsx s GLN 43 N -3.19 3.54 -0.28 1.61 -0.21 -0.27 -2.84 119.66 118.02 2jsx s GLN 43 Ca 0.00 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 2jsx s GLN 43 Cb 0.00 -2.96 0.05 0.00 1.00 0.00 0.00 33.01 31.10 2jsx s GLN 43 CO 0.00 0.04 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.67 2jsx s LEU 44 N 0.87 3.68 -0.28 2.90 1.43 0.18 -0.94 118.68 126.52 2jsx s LEU 44 Ca -0.01 -1.23 -0.19 0.00 -1.03 0.00 0.00 54.13 51.67 2jsx s LEU 44 Cb -0.15 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2jsx s LEU 44 CO 0.01 -0.22 0.59 -0.63 0.23 0.00 0.00 176.35 176.33 2jsx s ILE 45 N 1.23 4.99 -0.23 -0.59 1.01 0.78 -0.71 121.20 127.69 2jsx s ILE 45 Ca -0.05 0.89 -0.05 0.00 0.00 0.00 0.00 60.65 61.44 2jsx s ILE 45 Cb -0.19 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 2jsx s ILE 45 CO -0.02 -0.04 -0.00 -0.69 0.00 0.00 0.00 174.94 174.18 2jsx s VAL 46 N 2.49 3.69 -0.25 2.92 1.01 0.04 -0.44 120.40 129.86 2jsx s VAL 46 Ca 0.24 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2jsx s VAL 46 Cb -0.15 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2jsx s VAL 46 CO 0.10 0.39 0.32 -0.69 0.00 0.00 0.00 175.10 175.23 2jsx s VAL 47 N 1.53 5.23 -0.09 2.92 1.01 0.11 -0.14 120.40 130.97 2jsx s VAL 47 Ca 0.06 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.57 2jsx s VAL 47 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2jsx s VAL 47 CO -0.01 0.22 -0.22 -0.69 0.00 0.00 0.00 175.10 174.40 2jsx s VAL 48 N 1.68 1.92 -0.24 2.92 1.01 -0.41 -1.23 120.40 126.05 2jsx s VAL 48 Ca 0.14 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 2jsx s VAL 48 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2jsx s VAL 48 CO 0.09 0.53 0.06 -1.61 0.00 0.00 0.00 175.10 174.17 2jsx s GLU 49 N 0.33 3.68 0.01 2.72 8.01 -0.65 -1.96 118.70 130.84 2jsx s GLU 49 Ca -0.17 -0.47 0.04 0.00 0.01 0.00 0.00 54.97 54.39 2jsx s GLU 49 Cb -0.17 -3.29 -0.02 0.00 -4.31 0.00 0.00 34.13 26.35 2jsx s GLU 49 CO 0.08 -0.12 -0.13 0.00 0.01 0.00 0.00 175.26 175.09 2jsx s ALA 50 N 1.43 1.10 0.18 5.21 0.00 -0.00 -4.73 121.76 124.94 2jsx s ALA 50 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.38 2jsx s ALA 50 Cb -0.15 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.80 2jsx s ALA 50 CO 0.03 0.24 1.42 1.49 0.00 0.00 0.00 175.76 178.94 2jsx h GLU 51 N 5.40 0.14 -5.46 0.00 4.81 -1.86 0.47 114.58 118.07 2jsx h GLU 51 Ca -0.35 -0.14 -0.44 0.00 -0.13 0.00 0.00 59.36 58.30 2jsx h GLU 51 Cb 1.17 0.04 -0.22 0.00 0.63 0.00 0.00 28.75 30.38 2jsx h GLU 51 CO 0.47 0.88 -0.79 0.34 -0.73 0.00 0.00 179.01 179.18 2jsx s ASP 52 N -6.88 1.80 0.20 1.04 2.15 -1.26 -4.65 116.67 109.07 2jsx s ASP 52 Ca -0.02 -0.62 -0.11 0.00 0.43 0.00 0.00 52.55 52.23 2jsx s ASP 52 Cb 0.11 -0.07 0.22 0.00 -0.30 0.00 0.00 42.92 42.88 2jsx s ASP 52 CO 0.81 -0.05 1.76 0.28 -0.17 0.00 0.00 175.17 177.80 2jsx h SER 53 N 4.30 0.27 0.53 -0.34 0.02 -1.99 0.70 113.55 117.05 2jsx h SER 53 Ca -0.41 0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.34 2jsx h SER 53 Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jsx h SER 53 CO 0.40 0.18 -1.15 -0.08 -1.14 0.00 0.00 176.83 175.04 2jsx h GLU 54 N 0.44 0.32 -0.62 3.45 4.81 -1.99 -2.45 114.58 118.54 2jsx h GLU 54 Ca 0.27 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2jsx h GLU 54 Cb 0.28 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2jsx h GLU 54 CO -0.25 1.18 0.30 1.15 -0.73 0.00 0.00 179.01 180.67 2jsx h THR 55 N 0.12 1.20 0.09 0.32 2.02 -1.92 0.57 112.91 115.30 2jsx h THR 55 Ca -0.12 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2jsx h THR 55 Cb 1.85 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2jsx h THR 55 CO 0.19 0.23 -0.06 0.25 0.37 0.00 0.00 175.52 176.50 2jsx h LEU 56 N 0.87 -0.15 -0.18 2.58 5.85 -0.66 -1.63 115.31 121.98 2jsx h LEU 56 Ca 0.22 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2jsx h LEU 56 Cb 0.08 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2jsx h LEU 56 CO -0.03 -0.09 0.11 0.40 -0.34 0.00 0.00 178.44 178.49 2jsx h ILE 57 N -0.15 1.08 -0.73 4.05 2.04 -0.89 -0.69 117.51 122.22 2jsx h ILE 57 Ca -0.01 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.72 2jsx h ILE 57 Cb 0.13 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2jsx h ILE 57 CO 0.00 0.07 0.43 -0.61 0.00 0.00 0.00 178.15 178.05 2jsx h GLN 58 N 0.22 0.78 -0.63 2.37 4.15 -0.83 0.36 115.11 121.53 2jsx h GLN 58 Ca 0.07 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2jsx h GLN 58 Cb 0.02 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2jsx h GLN 58 CO -0.01 0.51 0.08 1.15 -1.93 0.00 0.00 178.83 178.63 2jsx h THR 59 N 0.80 1.26 -0.62 2.39 2.02 -0.85 1.00 112.91 118.91 2jsx h THR 59 Ca 0.32 -1.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 2jsx h THR 59 Cb 0.15 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2jsx h THR 59 CO -0.17 0.38 0.04 0.40 0.37 0.00 0.00 175.52 176.55 2jsx h ILE 60 N 0.97 1.26 -0.13 3.11 2.04 0.08 -0.50 117.51 124.34 2jsx h ILE 60 Ca 0.19 -1.10 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2jsx h ILE 60 Cb 0.45 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2jsx h ILE 60 CO 0.02 0.40 -0.29 -0.33 0.00 0.00 0.00 178.15 177.95 2jsx h GLU 61 N 0.98 0.25 -0.58 2.37 5.08 0.14 0.99 114.58 123.81 2jsx h GLU 61 Ca 0.18 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2jsx h GLU 61 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2jsx h GLU 61 CO 0.02 0.53 0.18 0.77 -1.00 0.00 0.00 179.01 179.51 2jsx h SER 62 N 0.22 0.85 -0.87 1.42 0.02 -0.20 -1.29 113.55 113.71 2jsx h SER 62 Ca 0.03 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2jsx h SER 62 Cb 0.63 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 2jsx h SER 62 CO 0.05 0.83 0.49 0.58 -1.14 0.00 0.00 176.83 177.64 2jsx h VAL 63 N 0.82 1.25 0.00 2.27 2.07 -0.42 -1.38 116.25 120.86 2jsx h VAL 63 Ca 0.19 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2jsx h VAL 63 Cb 0.28 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2jsx h VAL 63 CO -0.01 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.40 2jsx n ARG 64 N -4.34 0.19 0.01 1.57 1.74 0.28 -1.63 116.66 114.48 2jsx n ARG 64 Ca 0.09 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 2jsx n ARG 64 Cb 0.09 -1.91 0.48 0.00 -1.02 0.00 0.00 32.46 30.09 2jsx n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jsx n ASN 65 N -2.29 0.24 -4.67 0.55 5.03 -0.52 -4.78 115.26 108.83 2jsx n ASN 65 Ca 0.01 0.27 -0.43 0.00 0.87 0.00 0.00 54.58 55.30 2jsx n ASN 65 Cb 0.19 -0.27 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2jsx s VAL 66 N -3.01 3.94 -0.23 2.41 1.01 -0.65 -4.90 120.40 118.96 2jsx s VAL 66 Ca 0.13 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 2jsx s VAL 66 Cb 0.18 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2jsx s VAL 66 CO 0.59 -0.08 1.39 -1.61 0.00 0.00 0.00 175.10 175.39 2jsx s GLU 67 N 3.43 3.98 0.00 2.72 2.02 -1.26 -1.95 118.70 127.64 2jsx s GLU 67 Ca 0.63 1.50 0.00 0.00 0.02 0.00 0.00 54.97 57.12 2jsx s GLU 67 Cb -0.27 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.06 2jsx s GLU 67 CO 0.22 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.87 2jsx n GLY 68 N 4.21 1.08 3.72 -1.39 0.00 -1.26 -4.94 105.19 106.61 2jsx n GLY 68 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2jsx n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jsx s VAL 69 N -1.13 4.70 -0.17 1.61 1.01 -0.82 -0.36 120.40 125.24 2jsx s VAL 69 Ca 0.00 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 2jsx s VAL 69 Cb 0.00 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 2jsx s VAL 69 CO 0.00 0.26 -0.32 0.18 0.00 0.00 0.00 175.10 175.22 2jsx n LEU 70 N 3.26 1.85 -3.86 3.92 4.77 0.62 -4.93 117.00 122.64 2jsx n LEU 70 Ca 0.03 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 2jsx n LEU 70 Cb 0.50 -0.74 -0.17 0.00 -2.33 0.00 0.00 43.42 40.68 2jsx n LEU 70 CO 0.51 -0.30 -0.40 0.00 -1.33 0.00 0.00 177.39 175.87 2jsx s ALA 71 N -2.90 0.63 -0.34 -1.18 0.00 -0.58 -5.00 121.76 112.39 2jsx s ALA 71 Ca -0.27 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2jsx s ALA 71 Cb 0.04 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.71 2jsx s ALA 71 CO 0.40 -0.12 0.12 0.08 0.00 0.00 0.00 175.76 176.23 2jsx s VAL 72 N 1.16 3.89 -0.33 0.00 1.01 -1.26 -0.14 120.40 124.73 2jsx s VAL 72 Ca -0.07 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 2jsx s VAL 72 Cb -0.14 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2jsx s VAL 72 CO -0.01 -0.19 0.49 -0.44 0.00 0.00 0.00 175.10 174.94 2jsx s SER 73 N 1.43 6.31 -0.52 3.32 0.01 0.13 -4.93 113.70 119.45 2jsx s SER 73 Ca -0.01 0.03 -0.27 0.00 1.31 0.00 0.00 55.95 57.01 2jsx s SER 73 Cb -0.19 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.81 2jsx s SER 73 CO 0.03 -0.42 1.09 -0.22 0.41 0.00 0.00 173.24 174.13 2jsx s LEU 74 N 2.32 3.71 -0.91 2.44 0.20 -1.26 -0.79 118.68 124.40 2jsx s LEU 74 Ca 0.18 0.17 -0.17 0.00 0.69 0.00 0.00 54.13 55.00 2jsx s LEU 74 Cb -0.16 -3.26 0.16 0.00 -0.43 0.00 0.00 46.19 42.50 2jsx s LEU 74 CO 0.12 -1.28 1.02 -0.69 -0.29 0.00 0.00 176.35 175.24 2jsx s VAL 75 N 4.41 5.01 0.32 1.68 1.01 0.15 -4.80 120.40 128.17 2jsx s VAL 75 Ca 0.42 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.57 2jsx s VAL 75 Cb -0.08 -4.69 0.09 0.00 0.00 0.00 0.00 36.38 31.70 2jsx s VAL 75 CO 0.27 -1.36 1.78 1.88 0.00 0.00 0.00 175.10 177.67 2jsx h TYR 76 N 8.47 0.39 -3.98 5.22 0.05 -1.93 0.66 116.97 125.85 2jsx h TYR 76 Ca 0.15 -0.07 -0.53 0.00 0.05 0.00 0.00 58.73 58.32 2jsx h TYR 76 Cb 1.03 -0.10 0.10 0.00 1.01 0.00 0.00 36.73 38.77 2jsx h TYR 76 CO 1.12 0.57 0.63 -1.01 -1.05 0.00 0.00 178.16 178.43 2jsx s HIS 77 N -4.52 2.60 0.31 4.88 3.76 -1.26 -4.74 115.29 116.32 2jsx s HIS 77 Ca -0.06 1.36 0.02 0.00 -0.15 0.00 0.00 55.06 56.23 2jsx s HIS 77 Cb 0.14 -3.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.07 2jsx s HIS 77 CO 0.77 -2.49 0.06 0.00 -0.85 0.00 0.00 174.74 172.22 2jsx n GLN 78 N -0.23 0.90 -0.10 1.40 10.64 -1.26 -4.57 117.38 124.16 2jsx n GLN 78 Ca 0.06 -2.44 -0.06 0.00 -1.83 0.00 0.00 57.00 52.73 2jsx n GLN 78 Cb 0.43 1.02 0.01 0.00 -0.86 0.00 0.00 30.24 30.85 2jsx n GLN 78 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 2jsx h GLN 79 N 0.00 0.12 -4.22 2.61 1.08 -1.95 -3.39 115.11 109.36 2jsx h GLN 79 Ca -0.25 -0.01 -0.50 0.00 -1.45 0.00 0.00 58.65 56.45 2jsx h GLN 79 Cb 0.85 -0.03 -0.36 0.00 -0.05 0.00 0.00 27.48 27.89 2jsx h GLN 79 CO 0.40 0.08 -0.80 -1.83 -0.95 0.00 0.00 178.83 175.73 2jsx s GLU 80 N -6.18 1.37 0.01 1.46 -1.05 -1.26 -5.05 118.70 108.00 2jsx s GLU 80 Ca -0.13 -0.23 -0.20 0.00 -0.15 0.00 0.00 54.97 54.25 2jsx s GLU 80 Cb 0.13 -1.38 -0.11 0.00 -0.44 0.00 0.00 34.13 32.33 2jsx s GLU 80 CO 0.71 -0.18 0.99 1.49 0.95 0.00 0.00 175.26 179.22 2jsx h GLU 81 N 7.77 -0.70 -3.00 -4.83 4.57 -2.01 -3.47 114.58 112.91 2jsx h GLU 81 Ca -0.30 0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.81 2jsx h GLU 81 Cb 1.15 0.16 -0.21 0.00 -0.16 0.00 0.00 28.75 29.69 2jsx h GLU 81 CO 0.41 -0.47 -0.28 -0.65 -1.18 0.00 0.00 179.01 176.85 2jsx s GLN 82 N -4.09 0.63 -0.74 1.92 -0.21 -1.26 -5.04 119.66 110.87 2jsx s GLN 82 Ca -0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 55.36 55.14 2jsx s GLN 82 Cb 0.01 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.32 2jsx s GLN 82 CO 0.32 -0.16 2.81 0.41 -2.12 0.00 0.00 175.29 176.55 2jsx n GLY 83 N 1.51 4.38 3.38 3.09 0.00 -1.26 -4.87 105.19 111.42 2jsx n GLY 83 Ca -0.20 -1.79 -0.45 0.00 0.00 0.00 0.00 46.02 43.58 2jsx n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jsx s GLU 84 N -0.78 3.04 0.00 1.61 2.12 -1.26 -4.81 118.70 118.62 2jsx s GLU 84 Ca 0.60 -1.29 0.18 0.00 0.36 0.00 0.00 54.97 54.81 2jsx s GLU 84 Cb 0.30 -4.20 0.20 0.00 0.26 0.00 0.00 34.13 30.69 2jsx s GLU 84 CO -0.14 -1.31 1.13 -0.85 -0.54 0.00 0.00 175.26 173.55 2jsx n GLU 85 N 5.84 1.72 -3.21 4.30 0.28 -1.26 -4.89 120.64 123.43 2jsx n GLU 85 Ca -0.10 -1.72 -0.44 0.00 -0.16 0.00 0.00 57.16 54.74 2jsx n GLU 85 Cb 0.43 -1.36 -0.06 0.00 1.43 0.00 0.00 31.44 31.88 2jsx n GLU 85 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2jsx s THR 86 N -1.41 4.96 0.16 3.84 2.01 -1.26 -5.06 115.64 118.89 2jsx s THR 86 Ca 0.24 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.51 2jsx s THR 86 Cb 0.16 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2jsx s THR 86 CO 0.23 -0.81 0.31 -2.16 -0.69 0.00 0.00 174.62 171.51 2jsx s PRO 87 N 2.37 3.46 0.29 4.92 0.04 -1.26 -5.00 135.00 139.83 2jsx s PRO 87 Ca 0.11 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2jsx s PRO 87 Cb -0.22 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2jsx s PRO 87 CO 0.09 0.49 0.00 0.54 0.04 0.00 0.00 177.00 178.16 2jsx n ARG 88 N -0.56 -1.98 -2.48 4.56 3.00 -1.26 -4.68 116.66 113.26 2jsx n ARG 88 Ca -0.06 1.54 -0.39 0.00 -0.01 0.00 0.00 57.85 58.93 2jsx n ARG 88 Cb 0.54 -1.96 -0.03 0.00 0.00 0.00 0.00 32.46 31.00 2jsx n ARG 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jsx s SER 89 N -4.37 6.27 -0.24 0.55 0.15 -1.26 -4.93 113.70 109.87 2jsx s SER 89 Ca 0.00 -1.25 -0.00 0.00 0.70 0.00 0.00 55.95 55.40 2jsx s SER 89 Cb 0.00 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2jsx s SER 89 CO 0.00 -1.72 -0.10 -2.28 1.20 0.00 0.00 173.24 170.34 2jsx s HIS 90 N 5.82 3.05 0.11 3.44 5.04 -1.26 -5.09 115.29 126.40 2jsx s HIS 90 Ca 0.49 -1.74 0.05 0.00 -1.54 0.00 0.00 55.06 52.32 2jsx s HIS 90 Cb -0.02 -2.00 -0.04 0.00 0.04 0.00 0.00 32.58 30.56 2jsx s HIS 90 CO -0.07 -0.78 -0.13 -1.01 -2.34 0.00 0.00 174.74 170.42 2jsx s HIS 91 N 1.27 1.30 -0.52 3.88 3.76 -1.26 -5.03 115.29 118.69 2jsx s HIS 91 Ca -0.01 -0.58 0.24 0.00 -0.15 0.00 0.00 55.06 54.56 2jsx s HIS 91 Cb -0.17 -0.69 0.37 0.00 1.11 0.00 0.00 32.58 33.20 2jsx s HIS 91 CO -0.06 0.10 1.43 0.45 -0.85 0.00 0.00 174.74 175.81 2jsx h HIS 92 N 3.56 0.00 -1.57 1.40 3.86 -2.05 -3.50 115.15 116.85 2jsx h HIS 92 Ca -0.39 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.85 2jsx h HIS 92 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 2jsx h HIS 92 CO 0.65 0.00 -0.04 0.72 0.86 0.00 0.00 177.93 180.12 2jsx n HIS 93 N -2.50 -1.88 -3.88 2.45 8.25 -1.26 -4.94 115.22 111.45 2jsx n HIS 93 Ca 0.03 0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.51 2jsx n HIS 93 Cb 0.48 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 31.44 2jsx n HIS 93 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jsx s HIS 94 N -0.18 0.03 0.00 4.41 2.46 -1.26 -5.33 115.29 115.42 2jsx s HIS 94 Ca 0.00 -0.06 0.00 0.00 0.47 0.00 0.00 55.06 55.47 2jsx s HIS 94 Cb 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 2jsx s HIS 94 CO 0.00 -0.13 0.00 -2.39 -2.47 0.00 0.00 174.74 169.75