#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 2.92 0.57 3.17 2.46 -1.26 -5.03 115.29 118.13 2jsx s HIS 2 Ca 0.00 0.02 -0.06 0.00 0.47 0.00 0.00 55.06 55.49 2jsx s HIS 2 Cb 0.00 -3.81 -0.01 0.00 -0.13 0.00 0.00 32.58 28.63 2jsx s HIS 2 CO 0.00 -1.13 0.89 0.95 -2.47 0.00 0.00 174.74 172.98 2jsx s THR 3 N 3.47 4.05 -0.99 0.89 -4.23 -1.26 -4.96 115.64 112.60 2jsx s THR 3 Ca 0.29 0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.71 2jsx s THR 3 Cb -0.13 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.15 2jsx s THR 3 CO 0.20 -0.63 1.56 0.21 -0.54 0.00 0.00 174.62 175.43 2jsx s ASN 4 N -4.25 6.20 0.60 3.99 3.84 -1.26 -4.94 114.94 119.12 2jsx s ASN 4 Ca 0.53 -1.28 -0.06 0.00 0.21 0.00 0.00 52.86 52.26 2jsx s ASN 4 Cb -0.11 -2.57 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 2jsx s ASN 4 CO 0.46 -1.78 0.91 -1.66 -2.79 0.00 0.00 177.10 172.24 2jsx s TRP 5 N 6.11 3.24 0.01 0.43 1.48 -1.25 -4.88 118.94 124.08 2jsx s TRP 5 Ca 0.51 0.66 0.05 0.00 -1.06 0.00 0.00 56.10 56.26 2jsx s TRP 5 Cb -0.01 -2.77 -0.02 0.00 -1.16 0.00 0.00 33.47 29.51 2jsx s TRP 5 CO -0.08 -0.86 -0.16 1.14 -4.06 0.00 0.00 176.95 172.92 2jsx s GLN 6 N -5.02 1.23 0.02 3.25 -2.07 -1.16 -5.00 119.66 110.90 2jsx s GLN 6 Ca 0.54 -0.69 -0.01 0.00 -1.82 0.00 0.00 55.36 53.38 2jsx s GLN 6 Cb -0.11 -1.23 -0.04 0.00 -1.09 0.00 0.00 33.01 30.55 2jsx s GLN 6 CO 0.45 0.33 0.18 0.14 -1.32 0.00 0.00 175.29 175.07 2jsx s VAL 7 N -0.57 5.34 -0.04 3.63 -7.23 -1.26 -2.86 120.40 117.40 2jsx s VAL 7 Ca 0.05 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2jsx s VAL 7 Cb -0.07 -3.54 0.03 0.00 0.56 0.00 0.00 36.38 33.36 2jsx s VAL 7 CO 0.00 0.25 0.09 0.00 -0.31 0.00 0.00 175.10 175.14 2jsx s SER 9 N 0.96 7.12 -0.12 0.00 0.15 -1.26 -0.53 113.70 120.02 2jsx s SER 9 Ca -0.08 1.48 0.02 0.00 0.70 0.00 0.00 55.95 58.08 2jsx s SER 9 Cb -0.10 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2jsx s SER 9 CO -0.04 0.04 -0.18 -0.76 1.20 0.00 0.00 173.24 173.51 2jsx s LEU 10 N -1.88 1.87 -0.56 3.45 1.43 0.10 -1.31 118.68 121.78 2jsx s LEU 10 Ca 0.43 -0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 2jsx s LEU 10 Cb -0.18 -1.22 0.10 0.00 0.03 0.00 0.00 46.19 44.93 2jsx s LEU 10 CO 0.22 0.05 0.62 -0.69 0.23 0.00 0.00 176.35 176.77 2jsx s VAL 11 N 0.88 4.94 -0.34 -1.59 1.01 0.41 -1.35 120.40 124.36 2jsx s VAL 11 Ca -0.08 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 2jsx s VAL 11 Cb -0.15 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2jsx s VAL 11 CO -0.01 -0.97 0.42 -0.69 0.00 0.00 0.00 175.10 173.85 2jsx s VAL 12 N 2.37 5.11 -0.32 2.92 1.01 0.70 -0.24 120.40 131.94 2jsx s VAL 12 Ca 0.10 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2jsx s VAL 12 Cb -0.24 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2jsx s VAL 12 CO 0.07 -0.13 0.53 -1.58 0.00 0.00 0.00 175.10 173.98 2jsx s GLN 13 N 2.17 3.78 0.27 2.72 2.00 0.91 -0.74 119.66 130.76 2jsx s GLN 13 Ca 0.15 0.02 0.02 0.00 -2.00 0.00 0.00 55.36 53.55 2jsx s GLN 13 Cb -0.16 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 29.85 2jsx s GLN 13 CO 0.12 -0.56 0.14 0.00 -0.50 0.00 0.00 175.29 174.49 2jsx s ALA 14 N 2.40 1.76 -0.17 1.58 0.00 0.20 0.18 121.76 127.71 2jsx s ALA 14 Ca 0.20 -1.79 -0.32 0.00 0.00 0.00 0.00 51.96 50.05 2jsx s ALA 14 Cb -0.15 1.16 -0.09 0.00 0.00 0.00 0.00 23.12 24.03 2jsx s ALA 14 CO 0.12 -0.50 2.08 1.63 0.00 0.00 0.00 175.76 179.08 2jsx n LYS 15 N -0.50 1.97 0.23 0.00 4.01 -0.10 -4.52 118.16 119.26 2jsx n LYS 15 Ca 0.01 0.64 0.15 0.00 -0.51 0.00 0.00 58.31 58.60 2jsx n LYS 15 Cb 0.65 -2.86 0.81 0.00 -0.51 0.00 0.00 35.03 33.13 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 12.05 0.00 0.93 4.39 0.02 -1.84 0.35 113.55 129.45 2jsx h SER 16 Ca -0.42 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.36 2jsx h SER 16 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 2jsx h SER 16 CO 0.97 0.00 -0.83 1.05 -1.14 0.00 0.00 176.83 176.88 2jsx h GLU 17 N 0.00 0.00 -0.53 3.45 4.11 -1.88 -3.32 114.58 116.42 2jsx h GLU 17 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2jsx h GLU 17 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jsx h GLU 17 CO -0.00 0.83 0.00 -2.13 0.07 0.00 0.00 179.01 177.78 2jsx n ARG 18 N -3.47 3.14 -0.33 1.06 0.63 0.07 -4.58 116.66 113.17 2jsx n ARG 18 Ca -0.00 -2.57 0.07 0.00 -0.92 0.00 0.00 57.85 54.43 2jsx n ARG 18 Cb 0.81 -1.61 0.26 0.00 0.45 0.00 0.00 32.46 32.37 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 3.21 0.96 -0.50 5.15 1.08 -1.53 -1.81 117.51 124.07 2jsx h ILE 19 Ca 0.00 -0.33 -0.06 0.00 -0.39 0.00 0.00 64.86 64.08 2jsx h ILE 19 Cb 1.12 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2jsx h ILE 19 CO 0.10 0.18 0.08 0.28 -0.69 0.00 0.00 178.15 178.10 2jsx h SER 20 N 0.98 0.79 -0.06 1.72 0.02 -1.89 0.26 113.55 115.37 2jsx h SER 20 Ca 0.46 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 2jsx h SER 20 Cb 0.42 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2jsx h SER 20 CO -0.22 0.85 0.01 0.44 -1.14 0.00 0.00 176.83 176.77 2jsx h ASP 21 N 0.70 0.11 -0.01 3.07 3.32 -1.75 -2.48 116.42 119.38 2jsx h ASP 21 Ca 0.15 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2jsx h ASP 21 Cb 0.40 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2jsx h ASP 21 CO 0.01 0.36 0.01 0.40 -1.72 0.00 0.00 179.24 178.30 2jsx h ILE 22 N -0.15 1.07 -0.39 0.35 2.04 -1.21 -1.63 117.51 117.58 2jsx h ILE 22 Ca 0.02 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2jsx h ILE 22 Cb 0.30 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2jsx h ILE 22 CO 0.00 0.05 0.25 0.77 0.00 0.00 0.00 178.15 179.23 2jsx h SER 23 N -0.06 0.42 -0.21 1.72 4.64 -0.97 0.12 113.55 119.21 2jsx h SER 23 Ca 0.00 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2jsx h SER 23 Cb 0.08 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2jsx h SER 23 CO -0.00 0.31 0.05 0.74 -0.87 0.00 0.00 176.83 177.05 2jsx h THR 24 N 0.51 0.91 -0.30 2.95 2.02 -1.31 -0.36 112.91 117.32 2jsx h THR 24 Ca 0.15 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2jsx h THR 24 Cb -0.04 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jsx h THR 24 CO -0.04 0.02 0.13 -0.61 0.37 0.00 0.00 175.52 175.39 2jsx h GLN 25 N 0.13 0.45 -0.17 6.66 4.15 -0.91 -2.97 115.11 122.45 2jsx h GLN 25 Ca 0.09 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2jsx h GLN 25 Cb 0.08 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2jsx h GLN 25 CO -0.12 0.44 -0.25 -0.07 -1.93 0.00 0.00 178.83 176.90 2jsx h LEU 26 N 0.35 0.32 0.00 -2.39 3.38 -0.46 -1.63 115.31 114.87 2jsx h LEU 26 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jsx h LEU 26 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jsx h LEU 26 CO -0.01 0.58 0.00 -3.20 0.09 0.00 0.00 178.44 175.89 2jsx n ASN 27 N -4.15 0.00 -0.99 -0.43 2.85 -0.17 -1.87 115.26 110.51 2jsx n ASN 27 Ca -0.01 0.33 0.10 0.00 -0.11 0.00 0.00 54.58 54.89 2jsx n ASN 27 Cb 0.38 -0.43 0.27 0.00 1.24 0.00 0.00 39.78 41.23 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 -1.43 2.44 -2.21 5.20 0.00 -0.62 -4.81 120.51 119.08 2jsx n ALA 28 Ca 0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.31 2jsx n ALA 28 Cb 0.23 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.45 3.47 -0.39 0.00 0.40 -0.78 -5.01 117.98 114.22 2jsx s PHE 29 Ca 0.37 1.01 -0.29 0.00 -0.60 0.00 0.00 56.93 57.43 2jsx s PHE 29 Cb 0.20 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 41.33 2jsx s PHE 29 CO 0.28 -0.08 1.35 -1.25 0.70 0.00 0.00 175.22 176.21 2jsx s PRO 30 N -3.82 3.68 0.00 0.24 0.04 -1.26 -2.63 135.00 131.24 2jsx s PRO 30 Ca 0.51 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2jsx s PRO 30 Cb -0.10 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.46 2jsx s PRO 30 CO 0.31 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2jsx n GLY 31 N 4.85 0.73 3.59 0.56 0.00 -1.26 -4.86 105.19 108.80 2jsx n GLY 31 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 1.08 1.92 -0.49 0.00 2.56 -0.01 -4.51 118.70 119.26 2jsx s GLU 33 Ca 0.06 -0.63 -0.25 0.00 0.00 0.00 0.00 54.97 54.15 2jsx s GLU 33 Cb -0.14 -1.63 0.03 0.00 2.00 0.00 0.00 34.13 34.39 2jsx s GLU 33 CO 0.04 0.23 0.93 0.08 -0.56 0.00 0.00 175.26 175.97 2jsx s VAL 34 N 0.11 4.45 -0.15 3.70 1.01 -1.26 -0.17 120.40 128.09 2jsx s VAL 34 Ca -0.06 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 2jsx s VAL 34 Cb -0.13 -4.46 -0.14 0.00 0.00 0.00 0.00 36.38 31.65 2jsx s VAL 34 CO 0.03 -0.91 0.30 0.00 0.00 0.00 0.00 175.10 174.51 2jsx h ALA 35 N 9.15 0.06 -4.41 5.51 0.00 -0.90 -3.47 119.26 125.21 2jsx h ALA 35 Ca -0.25 -0.54 -0.62 0.00 0.00 0.00 0.00 54.91 53.51 2jsx h ALA 35 Cb 1.07 0.25 -0.30 0.00 0.00 0.00 0.00 17.79 18.82 2jsx h ALA 35 CO 1.04 0.24 -0.86 0.08 0.00 0.00 0.00 179.25 179.76 2jsx s VAL 36 N -2.09 1.70 -0.26 0.00 1.01 -1.11 -4.98 120.40 114.68 2jsx s VAL 36 Ca -0.16 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2jsx s VAL 36 Cb 0.01 -1.41 0.09 0.00 0.00 0.00 0.00 36.38 35.06 2jsx s VAL 36 CO 0.42 0.48 0.09 -0.94 0.00 0.00 0.00 175.10 175.15 2jsx s SER 37 N -0.46 3.39 -0.61 3.32 1.04 -1.26 -0.14 113.70 118.98 2jsx s SER 37 Ca 0.07 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.23 2jsx s SER 37 Cb -0.09 -0.55 0.16 0.00 0.10 0.00 0.00 66.02 65.64 2jsx s SER 37 CO -0.00 -0.39 0.47 -0.62 0.98 0.00 0.00 173.24 173.68 2jsx s ASP 38 N 1.90 5.73 0.19 7.02 2.15 0.65 -4.96 116.67 129.34 2jsx s ASP 38 Ca 0.06 -2.48 -0.13 0.00 0.43 0.00 0.00 52.55 50.43 2jsx s ASP 38 Cb -0.17 -1.98 0.11 0.00 -0.30 0.00 0.00 42.92 40.59 2jsx s ASP 38 CO -0.23 -0.53 1.84 0.00 -0.17 0.00 0.00 175.17 176.08 2jsx h ALA 39 N 7.69 0.75 -0.73 3.66 0.00 -1.90 -0.11 119.26 128.62 2jsx h ALA 39 Ca -0.06 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.95 2jsx h ALA 39 Cb 1.01 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2jsx h ALA 39 CO 0.77 0.13 0.31 -1.00 0.00 0.00 0.00 179.25 179.45 2jsx h PRO 40 N 0.74 0.47 0.00 0.00 0.13 -1.93 -2.36 132.00 129.05 2jsx h PRO 40 Ca 0.23 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.16 2jsx h PRO 40 Cb -0.03 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 2jsx h PRO 40 CO -0.08 0.31 -1.29 0.77 -0.23 0.00 0.00 178.00 177.49 2jsx h SER 41 N 0.48 0.00 0.00 1.44 0.02 -1.93 -3.47 113.55 110.09 2jsx h SER 41 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2jsx h SER 41 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2jsx h SER 41 CO -0.36 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.55 2jsx n GLY 42 N 1.38 1.03 3.67 -3.77 0.00 -0.21 -4.71 105.19 102.57 2jsx n GLY 42 Ca -0.08 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.70 4.08 -0.14 1.61 -0.21 -0.29 -0.63 119.66 122.38 2jsx s GLN 43 Ca 0.00 -0.27 0.02 0.00 0.02 0.00 0.00 55.36 55.13 2jsx s GLN 43 Cb 0.00 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.51 2jsx s GLN 43 CO 0.00 0.09 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.56 2jsx s LEU 44 N 0.96 1.99 -0.30 2.90 1.43 0.08 -0.25 118.68 125.49 2jsx s LEU 44 Ca 0.07 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 2jsx s LEU 44 Cb -0.13 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 2jsx s LEU 44 CO 0.04 0.04 0.33 -0.63 0.23 0.00 0.00 176.35 176.36 2jsx s ILE 45 N 0.99 5.20 -0.13 -0.59 -1.09 0.80 -0.21 121.20 126.17 2jsx s ILE 45 Ca -0.04 0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 2jsx s ILE 45 Cb -0.15 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2jsx s ILE 45 CO -0.04 0.06 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.83 2jsx s VAL 46 N 1.99 1.96 -0.24 2.92 1.01 -0.45 -0.13 120.40 127.45 2jsx s VAL 46 Ca 0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2jsx s VAL 46 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2jsx s VAL 46 CO 0.11 0.53 0.11 -0.69 0.00 0.00 0.00 175.10 175.17 2jsx s VAL 47 N 0.75 4.85 -0.14 2.92 1.01 0.76 0.00 120.40 130.55 2jsx s VAL 47 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jsx s VAL 47 Cb -0.16 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2jsx s VAL 47 CO 0.00 0.34 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 2jsx s VAL 48 N 1.28 3.07 -0.16 2.92 1.01 0.31 -0.83 120.40 128.00 2jsx s VAL 48 Ca 0.06 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2jsx s VAL 48 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2jsx s VAL 48 CO 0.05 0.52 -0.20 -1.83 0.00 0.00 0.00 175.10 173.64 2jsx s GLU 49 N 0.43 2.92 0.01 2.72 -1.05 -0.26 -0.20 118.70 123.27 2jsx s GLU 49 Ca -0.10 -0.81 -0.01 0.00 -0.15 0.00 0.00 54.97 53.90 2jsx s GLU 49 Cb -0.16 -2.45 -0.01 0.00 -0.44 0.00 0.00 34.13 31.07 2jsx s GLU 49 CO 0.05 -0.12 0.00 0.00 0.95 0.00 0.00 175.26 176.14 2jsx s ALA 50 N 1.08 0.02 0.09 -0.84 0.00 -1.14 -4.58 121.76 116.40 2jsx s ALA 50 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2jsx s ALA 50 Cb -0.14 0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.95 2jsx s ALA 50 CO -0.08 -0.13 1.49 0.93 0.00 0.00 0.00 175.76 177.97 2jsx h GLU 51 N 4.95 -0.60 -6.33 0.00 5.08 -1.94 -3.08 114.58 112.67 2jsx h GLU 51 Ca -0.30 0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.50 2jsx h GLU 51 Cb 1.21 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.48 2jsx h GLU 51 CO 0.43 -0.40 -0.66 0.34 -1.00 0.00 0.00 179.01 177.72 2jsx s ASP 52 N -4.44 4.73 0.40 1.42 2.15 -1.26 -3.83 116.67 115.83 2jsx s ASP 52 Ca -0.14 -0.43 0.09 0.00 0.43 0.00 0.00 52.55 52.50 2jsx s ASP 52 Cb 0.06 -0.99 0.87 0.00 -0.30 0.00 0.00 42.92 42.56 2jsx s ASP 52 CO 0.53 0.08 1.98 0.28 -0.17 0.00 0.00 175.17 177.88 2jsx h SER 53 N 2.60 0.52 0.06 -0.34 0.02 -1.93 -1.19 113.55 113.29 2jsx h SER 53 Ca -0.47 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.28 2jsx h SER 53 Cb 1.21 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2jsx h SER 53 CO 0.58 0.34 -0.78 -0.08 -1.14 0.00 0.00 176.83 175.75 2jsx h GLU 54 N 0.59 0.60 -0.42 3.45 4.81 -1.96 -1.95 114.58 119.69 2jsx h GLU 54 Ca 0.27 -0.50 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 2jsx h GLU 54 Cb 0.31 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2jsx h GLU 54 CO -0.08 1.13 0.10 1.15 -0.73 0.00 0.00 179.01 180.57 2jsx h THR 55 N 0.40 1.19 -0.19 0.32 2.02 -1.69 0.08 112.91 115.03 2jsx h THR 55 Ca -0.05 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2jsx h THR 55 Cb 1.39 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2jsx h THR 55 CO 0.15 0.25 0.07 0.25 0.37 0.00 0.00 175.52 176.61 2jsx h LEU 56 N 0.61 0.27 -0.40 2.58 5.85 -1.05 -2.15 115.31 121.02 2jsx h LEU 56 Ca 0.14 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jsx h LEU 56 Cb 0.24 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2jsx h LEU 56 CO -0.00 0.37 0.24 0.40 -0.34 0.00 0.00 178.44 179.11 2jsx h ILE 57 N 0.15 1.06 -0.91 4.05 1.08 -0.49 0.13 117.51 122.58 2jsx h ILE 57 Ca 0.06 -0.17 0.11 0.00 -0.39 0.00 0.00 64.86 64.47 2jsx h ILE 57 Cb 0.19 0.52 -0.08 0.00 -3.07 0.00 0.00 36.82 34.38 2jsx h ILE 57 CO -0.00 0.09 0.54 1.56 -0.69 0.00 0.00 178.15 179.65 2jsx h GLN 58 N 0.49 0.84 -0.01 2.37 4.20 -0.90 0.16 115.11 122.26 2jsx h GLN 58 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2jsx h GLN 58 Cb -0.01 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2jsx h GLN 58 CO -0.06 0.56 -0.05 1.15 -0.67 0.00 0.00 178.83 179.76 2jsx h THR 59 N 0.87 1.53 -0.64 -0.54 2.02 -0.72 -3.11 112.91 112.31 2jsx h THR 59 Ca 0.45 -1.62 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 2jsx h THR 59 Cb 0.44 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 2jsx h THR 59 CO -0.27 0.43 0.27 0.40 0.37 0.00 0.00 175.52 176.72 2jsx h ILE 60 N -0.61 1.22 -0.58 3.11 2.04 -0.34 -1.56 117.51 120.79 2jsx h ILE 60 Ca -0.00 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2jsx h ILE 60 Cb 0.72 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2jsx h ILE 60 CO 0.01 0.27 0.23 -0.08 0.00 0.00 0.00 178.15 178.58 2jsx h GLU 61 N 0.92 0.85 -0.45 2.37 4.81 -0.78 -1.52 114.58 120.77 2jsx h GLU 61 Ca 0.22 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2jsx h GLU 61 Cb 0.16 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2jsx h GLU 61 CO -0.02 0.70 -0.16 1.03 -0.73 0.00 0.00 179.01 179.83 2jsx h SER 62 N 0.83 0.87 -0.98 1.04 0.87 -1.24 -2.22 113.55 112.72 2jsx h SER 62 Ca 0.20 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2jsx h SER 62 Cb 0.17 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 2jsx h SER 62 CO -0.02 1.02 0.64 0.58 -0.53 0.00 0.00 176.83 178.53 2jsx h VAL 63 N 0.76 1.16 0.00 2.23 2.07 -0.63 -0.93 116.25 120.92 2jsx h VAL 63 Ca 0.12 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jsx h VAL 63 Cb 0.68 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2jsx h VAL 63 CO 0.05 0.22 0.00 0.54 0.02 0.00 0.00 177.57 178.40 2jsx n ARG 64 N -4.45 0.11 -0.12 1.57 1.74 -0.66 -2.90 116.66 111.95 2jsx n ARG 64 Ca 0.13 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 2jsx n ARG 64 Cb 0.11 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.35 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 -1.43 2.38 -4.76 0.55 3.02 -0.35 -4.90 115.26 109.76 2jsx n ASN 65 Ca 0.08 -1.83 -0.40 0.00 -0.03 0.00 0.00 54.58 52.40 2jsx n ASN 65 Cb 0.26 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.67 4.69 -0.18 2.41 1.01 -1.14 -5.00 120.40 120.51 2jsx s VAL 66 Ca 0.34 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.60 2jsx s VAL 66 Cb 0.19 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2jsx s VAL 66 CO 0.28 0.41 1.45 -0.70 0.00 0.00 0.00 175.10 176.54 2jsx s GLU 67 N -0.33 4.04 0.00 2.72 2.12 -1.26 -2.80 118.70 123.19 2jsx s GLU 67 Ca 0.36 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2jsx s GLU 67 Cb -0.21 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2jsx s GLU 67 CO 0.22 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 2jsx n GLY 68 N 4.14 1.64 3.71 -1.50 0.00 -1.26 -4.93 105.19 107.00 2jsx n GLY 68 Ca 0.16 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.85 -0.24 1.61 1.01 -1.12 -0.92 120.40 125.59 2jsx s VAL 69 Ca 0.00 1.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 2jsx s VAL 69 Cb 0.00 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 2jsx s VAL 69 CO 0.00 0.19 -0.27 0.18 0.00 0.00 0.00 175.10 175.21 2jsx n LEU 70 N 3.73 1.93 -3.78 3.92 4.77 0.13 -4.96 117.00 122.75 2jsx n LEU 70 Ca 0.04 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 2jsx n LEU 70 Cb 0.51 -0.82 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 2jsx n LEU 70 CO 0.51 0.27 -0.21 0.00 -1.33 0.00 0.00 177.39 176.63 2jsx s ALA 71 N -2.60 -0.32 -0.33 -1.18 0.00 -0.58 -5.01 121.76 111.75 2jsx s ALA 71 Ca -0.34 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 2jsx s ALA 71 Cb 0.10 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2jsx s ALA 71 CO 0.47 -0.12 0.11 0.08 0.00 0.00 0.00 175.76 176.31 2jsx s VAL 72 N 0.67 3.98 -0.47 0.00 1.01 -1.26 -0.07 120.40 124.27 2jsx s VAL 72 Ca -0.05 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 2jsx s VAL 72 Cb -0.07 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2jsx s VAL 72 CO -0.03 -0.08 0.60 -0.44 0.00 0.00 0.00 175.10 175.14 2jsx s SER 73 N 1.47 6.25 -0.17 3.32 0.01 0.66 -4.95 113.70 120.29 2jsx s SER 73 Ca 0.01 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.30 2jsx s SER 73 Cb -0.18 -2.29 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 2jsx s SER 73 CO 0.03 -0.80 1.03 -0.22 0.41 0.00 0.00 173.24 173.70 2jsx s LEU 74 N 2.61 4.18 0.55 2.44 0.20 -1.26 -0.45 118.68 126.95 2jsx s LEU 74 Ca 0.17 1.47 0.33 0.00 0.69 0.00 0.00 54.13 56.79 2jsx s LEU 74 Cb -0.17 -3.55 1.46 0.00 -0.43 0.00 0.00 46.19 43.50 2jsx s LEU 74 CO 0.15 -0.57 2.03 0.58 -0.29 0.00 0.00 176.35 178.25 2jsx h VAL 75 N 5.27 0.13 -3.71 1.68 2.07 -1.59 -3.37 116.25 116.74 2jsx h VAL 75 Ca -0.25 -0.53 -0.65 0.00 0.82 0.00 0.00 66.70 66.09 2jsx h VAL 75 Cb 1.10 1.46 -0.39 0.00 -1.52 0.00 0.00 31.29 31.95 2jsx h VAL 75 CO 0.92 0.04 -0.76 -0.47 0.02 0.00 0.00 177.57 177.32 2jsx s TYR 76 N -3.78 3.25 0.05 1.57 5.04 -1.26 -4.98 117.35 117.23 2jsx s TYR 76 Ca -0.00 -2.50 0.05 0.00 -2.44 0.00 0.00 57.07 52.18 2jsx s TYR 76 Cb 0.10 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 2jsx s TYR 76 CO 0.54 -0.89 -0.14 -3.38 -1.34 0.00 0.00 175.55 170.34 2jsx s HIS 77 N 1.09 1.17 0.44 4.97 -3.43 -1.26 -5.07 115.29 113.21 2jsx s HIS 77 Ca 0.02 -0.39 0.03 0.00 -0.80 0.00 0.00 55.06 53.91 2jsx s HIS 77 Cb -0.19 -0.68 0.03 0.00 -1.43 0.00 0.00 32.58 30.30 2jsx s HIS 77 CO -0.08 0.03 0.23 0.00 -2.00 0.00 0.00 174.74 172.93 2jsx n GLN 78 N 1.70 0.87 -1.89 -0.38 10.64 -1.26 -5.14 117.38 121.92 2jsx n GLN 78 Ca -0.19 -2.92 -0.30 0.00 -1.83 0.00 0.00 57.00 51.76 2jsx n GLN 78 Cb 0.55 0.47 0.18 0.00 -0.86 0.00 0.00 30.24 30.57 2jsx n GLN 78 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jsx s GLN 79 N -3.76 0.70 0.63 2.61 -2.07 -1.26 -5.04 119.66 111.47 2jsx s GLN 79 Ca 0.18 -0.34 -0.14 0.00 -1.82 0.00 0.00 55.36 53.24 2jsx s GLN 79 Cb -0.01 -1.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.04 2jsx s GLN 79 CO 0.11 -2.39 1.05 -1.83 -1.32 0.00 0.00 175.29 170.91 2jsx s GLU 80 N -5.83 3.24 0.21 9.60 -1.05 -1.26 -4.94 118.70 118.67 2jsx s GLU 80 Ca 0.73 1.05 -0.10 0.00 -0.15 0.00 0.00 54.97 56.50 2jsx s GLU 80 Cb -0.05 -2.03 0.17 0.00 -0.44 0.00 0.00 34.13 31.79 2jsx s GLU 80 CO 0.53 -0.86 1.88 0.93 0.95 0.00 0.00 175.26 178.68 2jsx h GLU 81 N -0.02 0.98 0.00 -4.83 4.39 -2.08 -3.45 114.58 109.57 2jsx h GLU 81 Ca -0.45 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2jsx h GLU 81 Cb 1.21 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2jsx h GLU 81 CO 0.58 0.65 0.00 0.94 -1.16 0.00 0.00 179.01 180.02 2jsx n GLN 82 N -4.57 0.00 0.00 2.33 7.27 -1.26 -4.61 117.38 116.53 2jsx n GLN 82 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2jsx n GLN 82 Cb 0.03 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.68 2jsx n GLN 82 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jsx n GLY 83 N 0.00 3.21 3.65 1.69 0.00 -1.26 -5.03 105.19 107.45 2jsx n GLY 83 Ca 0.00 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 -5.50 4.15 0.47 1.61 2.56 -1.26 -4.93 118.70 115.81 2jsx s GLU 84 Ca 0.00 0.39 0.27 0.00 0.00 0.00 0.00 54.97 55.63 2jsx s GLU 84 Cb 0.00 -3.59 0.94 0.00 2.00 0.00 0.00 34.13 33.48 2jsx s GLU 84 CO 0.00 -0.21 1.83 0.93 -0.56 0.00 0.00 175.26 177.24 2jsx h GLU 85 N 7.62 0.00 -2.92 4.30 5.08 -2.00 -3.39 114.58 123.28 2jsx h GLU 85 Ca -0.32 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.61 2jsx h GLU 85 Cb 1.15 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.00 2jsx h GLU 85 CO 0.73 0.13 -0.72 0.99 -1.00 0.00 0.00 179.01 179.14 2jsx s THR 86 N -3.55 -0.14 0.85 1.13 2.01 -1.26 -5.14 115.64 109.53 2jsx s THR 86 Ca 0.02 -0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2jsx s THR 86 Cb 0.09 -0.60 0.11 0.00 0.01 0.00 0.00 72.50 72.10 2jsx s THR 86 CO 0.61 -0.27 1.11 -2.16 -0.69 0.00 0.00 174.62 173.22 2jsx s PRO 87 N 2.18 1.57 0.00 4.92 0.04 -1.26 -5.05 135.00 137.40 2jsx s PRO 87 Ca 0.03 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2jsx s PRO 87 Cb -0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2jsx s PRO 87 CO -0.10 -2.15 0.00 2.89 0.04 0.00 0.00 177.00 177.67 2jsx n ARG 88 N -3.88 1.00 -2.47 4.56 1.85 -1.26 -5.03 116.66 111.43 2jsx n ARG 88 Ca 0.10 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.52 2jsx n ARG 88 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.91 2jsx n ARG 88 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2jsx s SER 89 N -1.00 7.05 -0.02 2.89 0.01 -1.26 -5.02 113.70 116.35 2jsx s SER 89 Ca 0.00 1.80 0.01 0.00 1.31 0.00 0.00 55.95 59.07 2jsx s SER 89 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2jsx s SER 89 CO 0.00 -0.58 -0.01 -1.00 0.41 0.00 0.00 173.24 172.05 2jsx s HIS 90 N 2.24 3.05 -0.33 2.43 3.76 -1.26 -5.04 115.29 120.15 2jsx s HIS 90 Ca 0.56 0.08 0.11 0.00 -0.15 0.00 0.00 55.06 55.65 2jsx s HIS 90 Cb -0.24 -1.68 0.46 0.00 1.11 0.00 0.00 32.58 32.22 2jsx s HIS 90 CO 0.22 0.44 1.12 0.72 -0.85 0.00 0.00 174.74 176.38 2jsx n HIS 91 N 1.59 2.43 -2.95 1.40 8.25 -1.26 -4.97 115.22 119.72 2jsx n HIS 91 Ca -0.16 -2.53 -0.44 0.00 -0.26 0.00 0.00 57.72 54.33 2jsx n HIS 91 Cb 0.53 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 2jsx n HIS 91 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jsx s HIS 92 N -3.56 3.05 -0.14 4.41 3.76 -1.26 -4.98 115.29 116.57 2jsx s HIS 92 Ca 0.42 -1.22 -0.02 0.00 -0.15 0.00 0.00 55.06 54.09 2jsx s HIS 92 Cb 0.40 -4.24 -0.02 0.00 1.11 0.00 0.00 32.58 29.82 2jsx s HIS 92 CO -0.04 -1.48 -0.07 -3.38 -0.85 0.00 0.00 174.74 168.92 2jsx s HIS 93 N 2.84 2.94 -0.21 1.40 -3.43 -1.26 -4.96 115.29 112.62 2jsx s HIS 93 Ca 0.28 -0.39 0.18 0.00 -0.80 0.00 0.00 55.06 54.33 2jsx s HIS 93 Cb -0.09 -1.90 0.06 0.00 -1.43 0.00 0.00 32.58 29.22 2jsx s HIS 93 CO -0.04 -0.07 1.28 0.45 -2.00 0.00 0.00 174.74 174.35 2jsx h HIS 94 N 6.59 0.00 0.00 0.38 3.86 -2.05 -3.57 115.15 120.36 2jsx h HIS 94 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2jsx h HIS 94 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2jsx h HIS 94 CO 0.52 0.37 0.00 1.58 0.86 0.00 0.00 177.93 181.26