#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 1.76 -0.72 1.12 0.09 -1.26 -4.91 115.29 111.37 2jsx s HIS 2 Ca 0.00 0.65 -0.26 0.00 -0.00 0.00 0.00 55.06 55.44 2jsx s HIS 2 Cb 0.00 -4.16 -0.00 0.00 -0.00 0.00 0.00 32.58 28.42 2jsx s HIS 2 CO 0.00 -2.22 1.67 0.95 -0.00 0.00 0.00 174.74 175.13 2jsx s THR 3 N 8.71 3.52 -1.09 1.30 -4.23 -1.26 -4.90 115.64 117.69 2jsx s THR 3 Ca 0.63 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 2jsx s THR 3 Cb -0.11 -4.33 0.28 0.00 1.34 0.00 0.00 72.50 69.68 2jsx s THR 3 CO 0.18 -1.28 1.18 0.59 -0.54 0.00 0.00 174.62 174.74 2jsx n ASN 4 N 11.60 5.63 -4.51 3.99 5.03 -1.26 -5.02 115.26 130.72 2jsx n ASN 4 Ca 0.19 -3.13 -0.34 0.00 0.87 0.00 0.00 54.58 52.17 2jsx n ASN 4 Cb 0.50 -1.33 0.11 0.00 -1.02 0.00 0.00 39.78 38.05 2jsx n ASN 4 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.26 172.76 2jsx n TRP 5 N 2.33 -0.44 -3.92 3.10 2.14 -1.26 -5.03 117.44 114.36 2jsx n TRP 5 Ca 0.24 0.32 -0.35 0.00 2.07 0.00 0.00 57.50 59.78 2jsx n TRP 5 Cb 0.38 -1.91 -0.10 0.00 -0.81 0.00 0.00 31.31 28.86 2jsx n TRP 5 CO 0.00 0.00 0.00 1.14 2.07 0.00 0.00 177.69 180.90 2jsx s GLN 6 N -3.60 3.90 0.20 -2.67 -2.07 -1.03 -4.96 119.66 109.43 2jsx s GLN 6 Ca 0.64 -0.37 0.05 0.00 -1.82 0.00 0.00 55.36 53.86 2jsx s GLN 6 Cb -0.27 -3.27 -0.04 0.00 -1.09 0.00 0.00 33.01 28.34 2jsx s GLN 6 CO 0.60 0.14 0.19 0.14 -1.32 0.00 0.00 175.29 175.04 2jsx s VAL 7 N 0.75 4.65 -0.05 3.63 -7.23 -1.26 -3.40 120.40 117.49 2jsx s VAL 7 Ca 0.04 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 2jsx s VAL 7 Cb -0.13 -3.43 0.04 0.00 0.56 0.00 0.00 36.38 33.41 2jsx s VAL 7 CO 0.02 -0.20 0.10 0.00 -0.31 0.00 0.00 175.10 174.71 2jsx s SER 9 N 1.39 7.11 -0.05 0.00 0.15 0.01 -0.26 113.70 122.05 2jsx s SER 9 Ca -0.06 1.33 0.06 0.00 0.70 0.00 0.00 55.95 57.98 2jsx s SER 9 Cb -0.12 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 2jsx s SER 9 CO -0.05 0.10 -0.25 -0.76 1.20 0.00 0.00 173.24 173.49 2jsx s LEU 10 N -0.34 2.08 -0.44 3.45 1.43 0.18 -0.33 118.68 124.71 2jsx s LEU 10 Ca 0.34 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2jsx s LEU 10 Cb -0.20 -1.37 0.08 0.00 0.03 0.00 0.00 46.19 44.73 2jsx s LEU 10 CO 0.20 0.25 0.31 -0.69 0.23 0.00 0.00 176.35 176.65 2jsx s VAL 11 N -0.22 4.51 -0.44 -1.59 1.01 0.25 -0.70 120.40 123.23 2jsx s VAL 11 Ca -0.02 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 2jsx s VAL 11 Cb -0.13 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2jsx s VAL 11 CO 0.03 -0.55 0.47 -0.69 0.00 0.00 0.00 175.10 174.36 2jsx s VAL 12 N 1.48 5.06 -0.39 2.92 1.01 0.11 -0.60 120.40 129.99 2jsx s VAL 12 Ca 0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 2jsx s VAL 12 Cb -0.24 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.07 2jsx s VAL 12 CO 0.03 -0.49 0.74 -1.58 0.00 0.00 0.00 175.10 173.80 2jsx s GLN 13 N 2.20 3.61 0.26 2.72 0.74 0.10 -0.55 119.66 128.74 2jsx s GLN 13 Ca 0.12 0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.65 2jsx s GLN 13 Cb -0.18 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.04 2jsx s GLN 13 CO 0.13 -0.91 0.17 0.00 -0.55 0.00 0.00 175.29 174.14 2jsx s ALA 14 N 3.05 1.55 -0.09 1.58 0.00 0.53 -0.49 121.76 127.89 2jsx s ALA 14 Ca 0.29 -1.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.12 2jsx s ALA 14 Cb -0.13 1.35 -0.09 0.00 0.00 0.00 0.00 23.12 24.25 2jsx s ALA 14 CO 0.18 -0.59 2.04 1.63 0.00 0.00 0.00 175.76 179.02 2jsx n LYS 15 N -0.44 2.36 0.23 0.00 4.01 -0.93 -4.45 118.16 118.94 2jsx n LYS 15 Ca 0.03 0.81 0.07 0.00 -0.51 0.00 0.00 58.31 58.71 2jsx n LYS 15 Cb 0.65 -2.96 0.56 0.00 -0.51 0.00 0.00 35.03 32.77 2jsx n LYS 15 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2jsx h SER 16 N 11.65 0.00 1.37 4.39 4.64 -1.84 -1.05 113.55 132.71 2jsx h SER 16 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2jsx h SER 16 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jsx h SER 16 CO 0.95 0.17 0.00 -1.84 -0.87 0.00 0.00 176.83 175.24 2jsx n GLU 17 N -4.14 0.25 -0.08 4.77 0.28 -1.26 -3.47 120.64 116.99 2jsx n GLU 17 Ca -0.02 0.24 0.06 0.00 -0.16 0.00 0.00 57.16 57.28 2jsx n GLU 17 Cb 0.24 -1.81 0.10 0.00 1.43 0.00 0.00 31.44 31.40 2jsx n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2jsx n ARG 18 N -2.25 2.10 -0.14 3.44 0.63 -0.43 -4.75 116.66 115.26 2jsx n ARG 18 Ca 0.05 -2.18 -0.05 0.00 -0.92 0.00 0.00 57.85 54.75 2jsx n ARG 18 Cb 0.40 -1.33 0.04 0.00 0.45 0.00 0.00 32.46 32.02 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 0.23 0.92 -0.16 5.15 1.08 -1.50 -0.40 117.51 122.83 2jsx h ILE 19 Ca 0.00 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 2jsx h ILE 19 Cb 0.84 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 2jsx h ILE 19 CO 0.02 0.07 0.00 0.28 -0.69 0.00 0.00 178.15 177.83 2jsx h SER 20 N 0.39 0.20 0.17 1.72 0.02 -1.87 0.36 113.55 114.55 2jsx h SER 20 Ca 0.20 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2jsx h SER 20 Cb 0.15 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jsx h SER 20 CO -0.17 0.24 -0.08 0.44 -1.14 0.00 0.00 176.83 176.12 2jsx h ASP 21 N 0.22 -0.20 -0.25 3.07 5.19 -1.70 -3.11 116.42 119.64 2jsx h ASP 21 Ca 0.05 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 2jsx h ASP 21 Cb 0.15 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2jsx h ASP 21 CO 0.00 0.35 0.13 0.40 -3.12 0.00 0.00 179.24 177.00 2jsx h ILE 22 N -0.88 1.13 -0.66 0.35 2.04 -0.70 -1.92 117.51 116.87 2jsx h ILE 22 Ca -0.02 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2jsx h ILE 22 Cb 0.51 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2jsx h ILE 22 CO 0.04 0.13 0.30 -1.28 0.00 0.00 0.00 178.15 177.34 2jsx h SER 23 N 0.29 0.86 0.36 1.72 0.87 -0.42 0.21 113.55 117.43 2jsx h SER 23 Ca 0.09 -0.10 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 2jsx h SER 23 Cb 0.09 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2jsx h SER 23 CO -0.01 0.74 -0.72 0.74 -0.53 0.00 0.00 176.83 177.04 2jsx h THR 24 N 0.94 1.41 -0.33 2.23 2.02 -1.44 0.14 112.91 117.88 2jsx h THR 24 Ca 0.23 -2.20 -0.05 0.00 0.77 0.00 0.00 66.41 65.16 2jsx h THR 24 Cb 0.12 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2jsx h THR 24 CO -0.03 0.65 0.02 1.56 0.37 0.00 0.00 175.52 178.10 2jsx h GLN 25 N 0.21 0.57 -0.44 6.66 4.20 -0.61 -2.44 115.11 123.27 2jsx h GLN 25 Ca -0.03 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 2jsx h GLN 25 Cb 1.29 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2jsx h GLN 25 CO 0.12 0.68 0.11 -0.07 -0.67 0.00 0.00 178.83 179.00 2jsx h LEU 26 N 0.39 0.66 -0.60 1.46 3.38 -0.27 -2.36 115.31 117.96 2jsx h LEU 26 Ca 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jsx h LEU 26 Cb 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jsx h LEU 26 CO 0.01 0.71 0.00 0.59 0.09 0.00 0.00 178.44 179.84 2jsx n ASN 27 N -4.53 0.37 0.11 -0.43 3.02 0.01 -2.14 115.26 111.66 2jsx n ASN 27 Ca 0.00 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2jsx n ASN 27 Cb 0.20 -0.69 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jsx h ALA 28 N 2.20 0.61 -2.51 5.41 0.00 -0.91 -3.45 119.26 120.61 2jsx h ALA 28 Ca 0.00 -0.60 -0.49 0.00 0.00 0.00 0.00 54.91 53.82 2jsx h ALA 28 Cb 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 17.79 17.97 2jsx h ALA 28 CO 0.00 0.80 0.42 -0.06 0.00 0.00 0.00 179.25 180.40 2jsx s PHE 29 N -2.90 2.81 -0.31 0.00 0.08 -0.91 -4.89 117.98 111.85 2jsx s PHE 29 Ca 0.03 1.56 -0.27 0.00 0.12 0.00 0.00 56.93 58.36 2jsx s PHE 29 Cb 0.08 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 2jsx s PHE 29 CO 0.77 -1.30 2.27 -2.14 -0.10 0.00 0.00 175.22 174.71 2jsx s PRO 30 N -3.20 2.79 0.00 0.24 0.02 -1.26 -1.59 135.00 132.00 2jsx s PRO 30 Ca 0.70 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2jsx s PRO 30 Cb -0.22 -4.44 0.00 0.00 0.02 0.00 0.00 34.50 29.87 2jsx s PRO 30 CO 0.25 -2.49 0.00 0.41 -0.33 0.00 0.00 177.00 174.84 2jsx n GLY 31 N 5.84 0.85 3.61 0.52 0.00 -1.26 -4.75 105.19 110.00 2jsx n GLY 31 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 2.32 0.03 0.06 0.00 2.12 -1.04 -4.02 118.70 118.17 2jsx s GLU 33 Ca 0.21 0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.45 2jsx s GLU 33 Cb -0.16 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.03 2jsx s GLU 33 CO 0.09 -0.12 1.05 0.08 -0.54 0.00 0.00 175.26 175.82 2jsx s VAL 34 N 0.81 4.43 0.00 3.70 1.01 -1.26 -1.10 120.40 127.99 2jsx s VAL 34 Ca -0.07 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2jsx s VAL 34 Cb -0.09 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2jsx s VAL 34 CO -0.03 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.26 2jsx n ALA 35 N 3.49 0.14 -2.72 5.51 0.00 0.13 -4.94 120.51 122.12 2jsx n ALA 35 Ca 0.06 -0.14 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2jsx n ALA 35 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 2jsx n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jsx s VAL 36 N -0.59 5.31 -0.20 0.00 1.01 -1.19 -4.95 120.40 119.79 2jsx s VAL 36 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2jsx s VAL 36 Cb 0.00 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.84 2jsx s VAL 36 CO 0.00 0.46 -0.10 -0.44 0.00 0.00 0.00 175.10 175.02 2jsx s SER 37 N -0.03 3.34 -0.68 3.32 0.01 -1.26 -0.43 113.70 117.96 2jsx s SER 37 Ca 0.16 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.48 2jsx s SER 37 Cb -0.13 -1.21 0.18 0.00 0.21 0.00 0.00 66.02 65.07 2jsx s SER 37 CO 0.05 -0.15 0.56 -1.81 0.41 0.00 0.00 173.24 172.29 2jsx s ASP 38 N 1.42 5.90 0.27 2.44 1.01 0.11 -4.94 116.67 122.88 2jsx s ASP 38 Ca -0.01 -2.66 -0.03 0.00 0.71 0.00 0.00 52.55 50.56 2jsx s ASP 38 Cb -0.16 -2.02 0.40 0.00 1.01 0.00 0.00 42.92 42.15 2jsx s ASP 38 CO -0.08 -0.49 1.91 0.00 0.21 0.00 0.00 175.17 176.71 2jsx h ALA 39 N 7.52 1.39 -1.00 5.23 0.00 -1.93 0.38 119.26 130.86 2jsx h ALA 39 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2jsx h ALA 39 Cb 1.00 -0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2jsx h ALA 39 CO 0.75 0.50 0.63 -1.00 0.00 0.00 0.00 179.25 180.13 2jsx h PRO 40 N 1.19 0.91 0.01 0.00 0.13 -1.93 -2.82 132.00 129.48 2jsx h PRO 40 Ca 0.39 -0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 65.14 2jsx h PRO 40 Cb 0.06 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 30.92 2jsx h PRO 40 CO -0.13 0.60 -1.98 0.43 -0.23 0.00 0.00 178.00 176.70 2jsx n SER 41 N -4.65 0.67 0.00 1.44 7.64 -1.08 -4.96 113.62 112.68 2jsx n SER 41 Ca 0.20 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2jsx n SER 41 Cb 0.41 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jsx n GLY 42 N 1.66 0.74 3.77 0.23 0.00 0.12 -4.74 105.19 106.97 2jsx n GLY 42 Ca -0.24 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 2jsx n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsx s GLN 43 N -2.27 3.85 -0.14 1.61 0.74 -0.44 -0.34 119.66 122.66 2jsx s GLN 43 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.20 2jsx s GLN 43 Cb 0.00 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.84 2jsx s GLN 43 CO 0.00 0.49 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.59 2jsx s LEU 44 N -0.19 1.56 -0.30 3.68 1.43 0.29 0.04 118.68 125.18 2jsx s LEU 44 Ca 0.10 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 2jsx s LEU 44 Cb -0.12 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2jsx s LEU 44 CO 0.01 -0.07 0.64 -0.63 0.23 0.00 0.00 176.35 176.53 2jsx s ILE 45 N 1.54 4.93 -0.04 -0.59 -1.09 0.43 -0.71 121.20 125.66 2jsx s ILE 45 Ca 0.05 0.93 0.04 0.00 -2.23 0.00 0.00 60.65 59.44 2jsx s ILE 45 Cb -0.13 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 2jsx s ILE 45 CO -0.10 -0.13 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.63 2jsx s VAL 46 N 2.63 2.89 -0.21 2.92 1.01 0.12 0.19 120.40 129.95 2jsx s VAL 46 Ca 0.26 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2jsx s VAL 46 Cb -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2jsx s VAL 46 CO 0.11 0.59 -0.15 -0.69 0.00 0.00 0.00 175.10 174.96 2jsx s VAL 47 N -0.71 2.24 -0.24 2.92 1.01 -0.26 0.49 120.40 125.85 2jsx s VAL 47 Ca 0.11 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.86 2jsx s VAL 47 Cb -0.11 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2jsx s VAL 47 CO 0.00 0.34 0.19 -0.69 0.00 0.00 0.00 175.10 174.94 2jsx s VAL 48 N 1.25 5.34 -0.22 2.92 1.01 0.64 -2.50 120.40 128.83 2jsx s VAL 48 Ca 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2jsx s VAL 48 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2jsx s VAL 48 CO -0.09 0.32 0.01 -1.61 0.00 0.00 0.00 175.10 173.73 2jsx s GLU 49 N 1.19 3.56 -0.01 2.72 2.02 0.68 -1.42 118.70 127.44 2jsx s GLU 49 Ca 0.08 -0.53 -0.17 0.00 0.02 0.00 0.00 54.97 54.37 2jsx s GLU 49 Cb -0.14 -3.15 0.03 0.00 0.10 0.00 0.00 34.13 30.97 2jsx s GLU 49 CO 0.06 -0.12 0.36 0.00 0.02 0.00 0.00 175.26 175.58 2jsx s ALA 50 N 1.36 -0.90 0.02 5.21 0.00 -1.22 -4.16 121.76 122.08 2jsx s ALA 50 Ca 0.05 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 2jsx s ALA 50 Cb -0.15 0.12 -0.36 0.00 0.00 0.00 0.00 23.12 22.74 2jsx s ALA 50 CO 0.01 -0.31 0.97 1.49 0.00 0.00 0.00 175.76 177.92 2jsx h GLU 51 N 3.61 0.53 -6.11 0.00 4.57 -1.95 -2.74 114.58 112.49 2jsx h GLU 51 Ca -0.30 -0.91 -0.61 0.00 -1.18 0.00 0.00 59.36 56.36 2jsx h GLU 51 Cb 1.18 0.34 -0.07 0.00 -0.16 0.00 0.00 28.75 30.04 2jsx h GLU 51 CO 0.41 1.44 -0.56 -0.51 -1.18 0.00 0.00 179.01 178.61 2jsx s ASP 52 N -7.57 5.78 0.22 1.04 1.01 -1.26 -4.57 116.67 111.32 2jsx s ASP 52 Ca -0.10 0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.11 2jsx s ASP 52 Cb 0.04 -1.62 0.17 0.00 1.01 0.00 0.00 42.92 42.53 2jsx s ASP 52 CO 0.94 0.14 1.88 0.28 0.21 0.00 0.00 175.17 178.62 2jsx h SER 53 N 2.97 0.94 -0.49 0.27 0.02 -1.97 -0.47 113.55 114.81 2jsx h SER 53 Ca -0.47 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.31 2jsx h SER 53 Cb 1.17 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2jsx h SER 53 CO 0.68 0.70 -0.19 1.05 -1.14 0.00 0.00 176.83 177.93 2jsx h GLU 54 N 1.09 1.01 -0.24 3.45 4.11 -1.99 -0.26 114.58 121.75 2jsx h GLU 54 Ca 0.29 -0.41 -0.09 0.00 0.07 0.00 0.00 59.36 59.22 2jsx h GLU 54 Cb -0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2jsx h GLU 54 CO -0.06 1.10 -0.23 1.15 0.07 0.00 0.00 179.01 181.04 2jsx h THR 55 N 0.87 1.25 0.00 -1.06 2.02 -1.88 -0.24 112.91 113.88 2jsx h THR 55 Ca 0.12 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2jsx h THR 55 Cb 0.77 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2jsx h THR 55 CO 0.06 0.38 -0.00 0.25 0.37 0.00 0.00 175.52 176.58 2jsx h LEU 56 N 0.39 -0.00 -0.46 2.58 5.85 -0.64 -2.22 115.31 120.82 2jsx h LEU 56 Ca 0.06 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.46 2jsx h LEU 56 Cb 0.62 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2jsx h LEU 56 CO 0.04 0.37 0.20 0.40 -0.34 0.00 0.00 178.44 179.12 2jsx h ILE 57 N -0.37 0.92 -0.75 4.05 2.04 -0.66 0.79 117.51 123.52 2jsx h ILE 57 Ca -0.00 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.77 2jsx h ILE 57 Cb 0.37 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2jsx h ILE 57 CO 0.00 0.07 0.46 -0.61 0.00 0.00 0.00 178.15 178.07 2jsx h GLN 58 N 0.41 0.83 -0.06 2.37 5.75 -1.05 0.97 115.11 124.33 2jsx h GLN 58 Ca 0.21 -0.05 -0.18 0.00 -0.15 0.00 0.00 58.65 58.48 2jsx h GLN 58 Cb 0.15 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2jsx h GLN 58 CO -0.17 0.55 -0.72 1.15 -2.65 0.00 0.00 178.83 176.98 2jsx h THR 59 N 0.85 1.40 -0.31 2.39 2.02 -0.70 -0.88 112.91 117.68 2jsx h THR 59 Ca 0.32 -2.19 -0.02 0.00 0.77 0.00 0.00 66.41 65.29 2jsx h THR 59 Cb 0.13 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2jsx h THR 59 CO -0.16 0.65 0.10 0.40 0.37 0.00 0.00 175.52 176.89 2jsx h ILE 60 N 0.21 1.20 -0.27 3.11 2.04 -0.03 -1.96 117.51 121.81 2jsx h ILE 60 Ca -0.03 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 2jsx h ILE 60 Cb 1.29 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2jsx h ILE 60 CO 0.12 0.22 -0.07 -0.33 0.00 0.00 0.00 178.15 178.08 2jsx h GLU 61 N 0.35 0.42 -0.86 2.37 5.08 -0.75 -2.23 114.58 118.96 2jsx h GLU 61 Ca 0.10 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2jsx h GLU 61 Cb 0.23 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.37 2jsx h GLU 61 CO -0.00 0.51 0.54 0.77 -1.00 0.00 0.00 179.01 179.83 2jsx h SER 62 N 0.40 0.87 -0.50 1.42 0.02 -0.70 -0.99 113.55 114.07 2jsx h SER 62 Ca 0.08 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 2jsx h SER 62 Cb 0.39 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2jsx h SER 62 CO 0.02 0.57 0.14 0.58 -1.14 0.00 0.00 176.83 177.00 2jsx h VAL 63 N 1.01 1.23 0.00 2.27 2.07 -0.78 -1.77 116.25 120.28 2jsx h VAL 63 Ca 0.36 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2jsx h VAL 63 Cb 0.11 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2jsx h VAL 63 CO -0.15 0.30 0.00 0.54 0.02 0.00 0.00 177.57 178.28 2jsx n ARG 64 N -4.28 0.07 -0.03 1.57 1.74 -0.46 -2.40 116.66 112.87 2jsx n ARG 64 Ca 0.04 0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.43 2jsx n ARG 64 Cb 0.22 -1.61 0.55 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.73 0.97 -4.76 0.55 3.02 -0.66 -4.82 115.26 107.82 2jsx n ASN 65 Ca 0.05 -1.47 -0.39 0.00 -0.03 0.00 0.00 54.58 52.73 2jsx n ASN 65 Cb 0.28 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jsx s VAL 66 N -1.93 4.85 0.25 2.41 1.01 -1.01 -4.97 120.40 121.01 2jsx s VAL 66 Ca 0.35 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2jsx s VAL 66 Cb 0.18 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2jsx s VAL 66 CO 0.29 0.41 1.68 -0.33 0.00 0.00 0.00 175.10 177.15 2jsx h GLU 67 N 5.57 0.65 0.00 2.72 4.39 -1.90 -2.63 114.58 123.37 2jsx h GLU 67 Ca -0.45 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.00 2jsx h GLU 67 Cb 1.20 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2jsx h GLU 67 CO 0.70 0.82 0.00 0.41 -1.16 0.00 0.00 179.01 179.77 2jsx n GLY 68 N -0.32 -1.00 3.68 -3.84 0.00 -1.26 -4.75 105.19 97.71 2jsx n GLY 68 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.26 4.88 -0.17 1.61 1.01 -0.99 -2.19 120.40 122.28 2jsx s VAL 69 Ca 0.34 1.75 -0.14 0.00 0.00 0.00 0.00 61.98 63.93 2jsx s VAL 69 Cb 0.18 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2jsx s VAL 69 CO 0.36 0.06 -0.10 0.18 0.00 0.00 0.00 175.10 175.60 2jsx n LEU 70 N 4.86 1.85 -3.65 3.92 4.77 0.35 -4.94 117.00 124.16 2jsx n LEU 70 Ca 0.05 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.37 2jsx n LEU 70 Cb 0.49 -0.88 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 2jsx n LEU 70 CO 0.49 -0.18 -0.27 0.00 -1.33 0.00 0.00 177.39 176.11 2jsx s ALA 71 N -2.64 -0.01 -0.30 -1.18 0.00 -0.63 -5.01 121.76 111.98 2jsx s ALA 71 Ca -0.22 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 2jsx s ALA 71 Cb 0.04 -0.81 0.05 0.00 0.00 0.00 0.00 23.12 22.40 2jsx s ALA 71 CO 0.36 -0.63 0.01 0.54 0.00 0.00 0.00 175.76 176.04 2jsx s VAL 72 N 2.25 3.07 0.01 0.00 0.11 -1.26 0.00 120.40 124.58 2jsx s VAL 72 Ca 0.04 -1.34 -0.15 0.00 -2.93 0.00 0.00 61.98 57.59 2jsx s VAL 72 Cb -0.13 -2.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.91 2jsx s VAL 72 CO -0.06 -0.10 0.43 -0.44 -3.33 0.00 0.00 175.10 171.60 2jsx s SER 73 N 1.27 6.85 -0.42 3.54 0.01 0.23 -4.92 113.70 120.25 2jsx s SER 73 Ca -0.05 1.01 -0.16 0.00 1.31 0.00 0.00 55.95 58.06 2jsx s SER 73 Cb -0.20 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.80 2jsx s SER 73 CO -0.01 0.32 0.36 -0.22 0.41 0.00 0.00 173.24 174.10 2jsx s LEU 74 N -1.08 5.09 -0.09 2.44 0.20 -1.26 -0.58 118.68 123.40 2jsx s LEU 74 Ca 0.24 -0.88 -0.08 0.00 0.69 0.00 0.00 54.13 54.11 2jsx s LEU 74 Cb -0.17 -2.24 -0.28 0.00 -0.43 0.00 0.00 46.19 43.07 2jsx s LEU 74 CO 0.14 -0.52 0.49 0.58 -0.29 0.00 0.00 176.35 176.75 2jsx h VAL 75 N 5.68 0.75 0.00 1.68 2.07 -1.04 -3.48 116.25 121.90 2jsx h VAL 75 Ca -0.27 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.83 2jsx h VAL 75 Cb 1.12 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 2jsx h VAL 75 CO 0.77 0.88 0.00 0.00 0.02 0.00 0.00 177.57 179.24 2jsx n TYR 76 N -3.51 0.00 -3.15 1.57 9.36 -0.13 -3.74 117.16 117.56 2jsx n TYR 76 Ca -0.29 0.00 0.04 0.00 3.32 0.00 0.00 57.90 60.97 2jsx n TYR 76 Cb 1.06 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.77 2jsx n TYR 76 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2jsx s HIS 77 N 0.00 -1.73 -0.90 2.98 5.04 -1.26 -0.81 115.29 118.61 2jsx s HIS 77 Ca 0.00 0.90 -0.20 0.00 -1.54 0.00 0.00 55.06 54.22 2jsx s HIS 77 Cb 0.00 0.30 0.11 0.00 0.04 0.00 0.00 32.58 33.02 2jsx s HIS 77 CO 0.00 -1.03 1.15 -0.65 -2.34 0.00 0.00 174.74 171.87 2jsx s GLN 78 N 2.70 3.51 0.41 2.88 -0.21 -1.25 -5.00 119.66 122.70 2jsx s GLN 78 Ca 0.12 -1.47 -0.23 0.00 0.02 0.00 0.00 55.36 53.80 2jsx s GLN 78 Cb -0.08 -4.86 -0.09 0.00 1.00 0.00 0.00 33.01 28.97 2jsx s GLN 78 CO -0.23 -1.86 1.01 1.14 -2.12 0.00 0.00 175.29 173.23 2jsx s GLN 79 N 3.35 4.17 -0.14 2.91 0.00 -1.26 -4.57 119.66 124.12 2jsx s GLN 79 Ca 0.33 1.38 -0.06 0.00 -0.00 0.00 0.00 55.36 57.01 2jsx s GLN 79 Cb -0.06 -2.43 0.02 0.00 0.00 0.00 0.00 33.01 30.55 2jsx s GLN 79 CO -0.06 -0.11 0.11 -1.91 0.00 0.00 0.00 175.29 173.33 2jsx n GLU 80 N -0.25 -2.76 -0.03 9.60 2.13 -1.26 -4.96 120.64 123.10 2jsx n GLU 80 Ca 0.06 2.28 -0.14 0.00 0.66 0.00 0.00 57.16 60.02 2jsx n GLU 80 Cb 0.51 -3.68 -0.10 0.00 0.27 0.00 0.00 31.44 28.44 2jsx n GLU 80 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2jsx h GLU 81 N 2.42 0.20 -1.93 5.31 4.81 -2.04 -3.47 114.58 119.88 2jsx h GLU 81 Ca -0.26 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2jsx h GLU 81 Cb 0.58 0.03 -0.20 0.00 0.63 0.00 0.00 28.75 29.79 2jsx h GLU 81 CO 0.02 0.82 0.23 1.14 -0.73 0.00 0.00 179.01 180.50 2jsx s GLN 82 N -3.58 0.94 0.15 1.92 -2.07 -1.26 -5.14 119.66 110.62 2jsx s GLN 82 Ca -0.15 0.39 -0.25 0.00 -1.82 0.00 0.00 55.36 53.52 2jsx s GLN 82 Cb 0.02 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 32.31 2jsx s GLN 82 CO 0.74 -0.26 0.78 0.20 -1.32 0.00 0.00 175.29 175.43 2jsx s GLY 83 N -0.85 2.91 -0.02 2.60 0.00 -1.26 -5.06 107.32 105.64 2jsx s GLY 83 Ca -0.07 0.36 0.01 0.00 0.00 0.00 0.00 44.72 45.02 2jsx s GLY 83 CO 0.07 0.91 -0.04 1.85 0.00 0.00 0.00 173.10 175.89 2jsx s GLU 84 N -1.00 0.50 0.03 2.90 2.12 -1.26 -5.13 118.70 116.85 2jsx s GLU 84 Ca 0.36 -0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.58 2jsx s GLU 84 Cb -0.23 -0.52 -0.02 0.00 0.26 0.00 0.00 34.13 33.62 2jsx s GLU 84 CO 0.26 0.03 -0.05 -2.00 -0.54 0.00 0.00 175.26 172.96 2jsx s GLU 85 N 0.28 0.42 -0.09 4.30 2.12 -1.26 -5.14 118.70 119.33 2jsx s GLU 85 Ca -0.03 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.66 2jsx s GLU 85 Cb -0.07 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.22 2jsx s GLU 85 CO -0.00 0.01 -0.08 0.99 -0.54 0.00 0.00 175.26 175.64 2jsx s THR 86 N -1.30 0.99 0.44 -1.70 2.01 -1.26 -5.12 115.64 109.71 2jsx s THR 86 Ca -0.11 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 2jsx s THR 86 Cb -0.09 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.35 2jsx s THR 86 CO -0.00 0.35 1.08 -2.16 -0.69 0.00 0.00 174.62 173.20 2jsx s PRO 87 N 1.40 3.91 -0.82 4.92 0.04 -1.26 -4.92 135.00 138.27 2jsx s PRO 87 Ca -0.01 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 2jsx s PRO 87 Cb -0.13 -2.37 0.03 0.00 0.04 0.00 0.00 34.50 32.07 2jsx s PRO 87 CO -0.05 -0.37 1.37 1.03 0.04 0.00 0.00 177.00 179.02 2jsx s ARG 88 N -2.77 3.28 -0.26 4.56 0.52 -1.26 -4.95 118.95 118.07 2jsx s ARG 88 Ca 0.63 -0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.25 2jsx s ARG 88 Cb -0.23 -4.57 -0.05 0.00 0.52 0.00 0.00 34.95 30.63 2jsx s ARG 88 CO 0.28 -2.21 0.16 -1.12 0.02 0.00 0.00 175.30 172.43 2jsx s SER 89 N 4.36 5.89 -0.13 0.23 0.01 -1.26 -4.94 113.70 117.85 2jsx s SER 89 Ca 0.40 -0.01 0.12 0.00 1.31 0.00 0.00 55.95 57.77 2jsx s SER 89 Cb -0.06 -2.08 -0.24 0.00 0.21 0.00 0.00 66.02 63.86 2jsx s SER 89 CO 0.07 -0.01 0.32 1.41 0.41 0.00 0.00 173.24 175.44 2jsx n HIS 90 N 4.82 0.55 0.07 2.43 8.25 -1.26 -4.14 115.22 125.94 2jsx n HIS 90 Ca -0.15 0.18 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2jsx n HIS 90 Cb 0.52 -1.10 -0.09 0.00 1.12 0.00 0.00 29.99 30.44 2jsx n HIS 90 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jsx h HIS 91 N 0.01 0.00 -3.48 4.41 -0.00 -2.03 -3.39 115.15 110.67 2jsx h HIS 91 Ca -0.43 0.00 -0.70 0.00 -0.00 0.00 0.00 60.37 59.24 2jsx h HIS 91 Cb 2.10 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 29.17 2jsx h HIS 91 CO 0.01 0.91 -0.45 -1.01 -0.00 0.00 0.00 177.93 177.39 2jsx s HIS 92 N -2.75 3.51 0.42 5.26 3.76 -1.26 -5.08 115.29 119.15 2jsx s HIS 92 Ca 0.01 -2.41 0.02 0.00 -0.15 0.00 0.00 55.06 52.53 2jsx s HIS 92 Cb 0.10 -3.28 -0.00 0.00 1.11 0.00 0.00 32.58 30.50 2jsx s HIS 92 CO 0.81 -0.94 0.62 -3.38 -0.85 0.00 0.00 174.74 171.00 2jsx s HIS 93 N 0.78 3.20 0.64 1.40 -3.43 -1.26 -4.41 115.29 112.20 2jsx s HIS 93 Ca 0.11 0.13 -0.13 0.00 -0.80 0.00 0.00 55.06 54.36 2jsx s HIS 93 Cb -0.22 -2.23 -0.02 0.00 -1.43 0.00 0.00 32.58 28.68 2jsx s HIS 93 CO -0.03 -0.27 1.05 -1.01 -2.00 0.00 0.00 174.74 172.48 2jsx s HIS 94 N -2.46 3.07 -1.60 0.38 3.76 -1.26 -5.13 115.29 112.05 2jsx s HIS 94 Ca 0.47 1.47 0.13 0.00 -0.15 0.00 0.00 55.06 56.98 2jsx s HIS 94 Cb -0.10 -2.94 0.10 0.00 1.11 0.00 0.00 32.58 30.76 2jsx s HIS 94 CO 0.36 -1.13 0.91 0.72 -0.85 0.00 0.00 174.74 174.75