#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsx n HIS 2 N 0.00 0.63 -1.58 2.03 -0.00 -1.26 -5.11 115.22 109.94 2jsx n HIS 2 Ca 0.00 0.28 0.02 0.00 -0.00 0.00 0.00 57.72 58.02 2jsx n HIS 2 Cb 0.00 -0.60 -0.01 0.00 -0.00 0.00 0.00 29.99 29.38 2jsx n HIS 2 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2jsx n THR 3 N -3.86 -2.66 -0.54 3.57 -2.24 -1.26 -5.06 114.28 102.23 2jsx n THR 3 Ca -0.05 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 63.11 2jsx n THR 3 Cb 0.18 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.12 2jsx n THR 3 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2jsx n ASN 4 N -2.82 -4.00 -4.77 3.42 4.13 -1.26 -4.93 115.26 105.03 2jsx n ASN 4 Ca -0.01 0.40 -0.39 0.00 1.68 0.00 0.00 54.58 56.26 2jsx n ASN 4 Cb 0.50 -0.80 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 2jsx n ASN 4 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 2jsx s TRP 5 N -1.58 3.03 0.08 3.10 1.48 -1.26 -4.39 118.94 119.40 2jsx s TRP 5 Ca 0.00 1.52 0.09 0.00 -1.06 0.00 0.00 56.10 56.65 2jsx s TRP 5 Cb 0.00 -3.47 -0.04 0.00 -1.16 0.00 0.00 33.47 28.80 2jsx s TRP 5 CO 0.00 -1.50 -0.22 1.14 -4.06 0.00 0.00 176.95 172.31 2jsx s GLN 6 N -2.20 1.78 0.28 3.25 -2.07 0.73 -4.85 119.66 116.58 2jsx s GLN 6 Ca 0.56 -1.15 0.10 0.00 -1.82 0.00 0.00 55.36 53.05 2jsx s GLN 6 Cb -0.33 -2.06 -0.05 0.00 -1.09 0.00 0.00 33.01 29.48 2jsx s GLN 6 CO 0.42 0.50 -0.03 0.14 -1.32 0.00 0.00 175.29 175.00 2jsx s VAL 7 N -0.99 3.15 -0.09 3.63 -7.23 -1.26 -1.66 120.40 115.95 2jsx s VAL 7 Ca 0.15 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2jsx s VAL 7 Cb -0.10 -2.75 0.05 0.00 0.56 0.00 0.00 36.38 34.14 2jsx s VAL 7 CO 0.06 -0.35 0.20 0.00 -0.31 0.00 0.00 175.10 174.70 2jsx s SER 9 N 1.56 7.32 -0.14 0.00 0.15 -1.26 -2.20 113.70 119.14 2jsx s SER 9 Ca -0.06 1.57 0.01 0.00 0.70 0.00 0.00 55.95 58.17 2jsx s SER 9 Cb -0.11 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 2jsx s SER 9 CO -0.07 0.09 -0.16 -0.76 1.20 0.00 0.00 173.24 173.55 2jsx s LEU 10 N -0.53 1.77 -0.59 3.45 1.43 0.95 -1.04 118.68 124.12 2jsx s LEU 10 Ca 0.38 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 2jsx s LEU 10 Cb -0.22 -1.21 0.07 0.00 0.03 0.00 0.00 46.19 44.86 2jsx s LEU 10 CO 0.25 -0.02 0.81 -0.69 0.23 0.00 0.00 176.35 176.93 2jsx s VAL 11 N 1.29 4.59 -0.36 -1.59 1.01 0.34 -0.46 120.40 125.22 2jsx s VAL 11 Ca 0.01 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2jsx s VAL 11 Cb -0.14 -4.52 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 2jsx s VAL 11 CO -0.08 -1.15 0.50 -0.69 0.00 0.00 0.00 175.10 173.68 2jsx s VAL 12 N 3.35 5.02 -0.29 2.92 1.01 0.13 -0.36 120.40 132.17 2jsx s VAL 12 Ca 0.19 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 2jsx s VAL 12 Cb -0.18 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2jsx s VAL 12 CO 0.11 -0.24 0.75 -1.58 0.00 0.00 0.00 175.10 174.14 2jsx s GLN 13 N 2.37 4.01 0.27 2.72 0.74 0.12 -0.33 119.66 129.55 2jsx s GLN 13 Ca 0.18 0.60 0.02 0.00 0.05 0.00 0.00 55.36 56.20 2jsx s GLN 13 Cb -0.16 -3.71 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 2jsx s GLN 13 CO 0.13 -0.61 0.13 0.00 -0.55 0.00 0.00 175.29 174.40 2jsx s ALA 14 N 2.83 1.70 0.02 1.58 0.00 -0.04 -0.69 121.76 127.17 2jsx s ALA 14 Ca 0.31 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 2jsx s ALA 14 Cb -0.15 1.17 -0.08 0.00 0.00 0.00 0.00 23.12 24.07 2jsx s ALA 14 CO 0.11 -0.51 1.80 0.15 0.00 0.00 0.00 175.76 177.31 2jsx s LYS 15 N -3.96 4.16 0.43 0.00 3.01 -0.89 -4.65 119.74 117.84 2jsx s LYS 15 Ca 0.37 2.43 0.10 0.00 -1.01 0.00 0.00 55.97 57.86 2jsx s LYS 15 Cb 0.06 -3.95 0.93 0.00 -1.01 0.00 0.00 37.83 33.86 2jsx s LYS 15 CO 0.15 -0.87 2.03 0.77 0.51 0.00 0.00 175.35 177.94 2jsx h SER 16 N 9.68 0.28 -0.01 2.83 0.02 -1.85 -0.82 113.55 123.68 2jsx h SER 16 Ca -0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2jsx h SER 16 Cb 1.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2jsx h SER 16 CO 0.94 0.28 0.00 -1.84 -1.14 0.00 0.00 176.83 175.07 2jsx n GLU 17 N -4.43 1.44 -0.08 3.45 0.28 -1.26 -3.39 120.64 116.65 2jsx n GLU 17 Ca 0.00 -0.63 0.04 0.00 -0.16 0.00 0.00 57.16 56.41 2jsx n GLU 17 Cb 0.13 -1.48 0.05 0.00 1.43 0.00 0.00 31.44 31.57 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 -0.23 1.72 -0.20 3.44 0.63 -0.35 -4.82 116.66 116.86 2jsx n ARG 18 Ca 0.21 -1.77 -0.06 0.00 -0.92 0.00 0.00 57.85 55.31 2jsx n ARG 18 Cb 0.27 -1.09 0.04 0.00 0.45 0.00 0.00 32.46 32.13 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 1.01 1.11 -0.18 5.15 1.08 -1.48 0.53 117.51 124.73 2jsx h ILE 19 Ca 0.00 -0.25 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2jsx h ILE 19 Cb 0.84 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 2jsx h ILE 19 CO 0.00 0.13 -0.00 0.28 -0.69 0.00 0.00 178.15 177.87 2jsx h SER 20 N 0.73 0.24 0.06 1.72 0.02 -1.87 0.13 113.55 114.57 2jsx h SER 20 Ca 0.22 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jsx h SER 20 Cb -0.04 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2jsx h SER 20 CO -0.07 0.29 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.10 2jsx h ASP 21 N 0.26 -0.07 -0.45 3.07 3.58 -1.68 -3.22 116.42 117.91 2jsx h ASP 21 Ca 0.06 -0.57 -0.07 0.00 0.42 0.00 0.00 57.03 56.87 2jsx h ASP 21 Cb 0.19 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2jsx h ASP 21 CO 0.00 0.62 -0.01 0.40 -2.88 0.00 0.00 179.24 177.37 2jsx h ILE 22 N -0.84 1.26 -0.60 2.25 2.04 -0.71 -2.62 117.51 118.30 2jsx h ILE 22 Ca -0.01 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2jsx h ILE 22 Cb 0.64 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2jsx h ILE 22 CO 0.01 0.37 0.27 0.28 0.00 0.00 0.00 178.15 179.09 2jsx h SER 23 N 0.65 0.76 0.49 1.72 0.02 -0.89 0.25 113.55 116.55 2jsx h SER 23 Ca 0.13 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.83 2jsx h SER 23 Cb 0.51 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jsx h SER 23 CO 0.03 0.66 -0.73 0.74 -1.14 0.00 0.00 176.83 176.38 2jsx h THR 24 N 0.84 1.45 -0.17 -2.27 2.02 -1.54 -0.67 112.91 112.57 2jsx h THR 24 Ca 0.21 -2.31 -0.21 0.00 0.77 0.00 0.00 66.41 64.88 2jsx h THR 24 Cb 0.11 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2jsx h THR 24 CO -0.03 0.67 -0.71 1.56 0.37 0.00 0.00 175.52 177.39 2jsx h GLN 25 N 0.13 0.73 -0.40 6.66 4.20 -0.99 -2.69 115.11 122.75 2jsx h GLN 25 Ca -0.02 -0.56 -0.12 0.00 0.06 0.00 0.00 58.65 58.01 2jsx h GLN 25 Cb 1.30 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 2jsx h GLN 25 CO 0.11 1.17 -0.22 -0.07 -0.67 0.00 0.00 178.83 179.16 2jsx h LEU 26 N 0.51 0.81 0.00 1.46 3.38 -0.24 -2.50 115.31 118.74 2jsx h LEU 26 Ca -0.03 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2jsx h LEU 26 Cb 1.32 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jsx h LEU 26 CO 0.14 1.01 0.00 0.59 0.09 0.00 0.00 178.44 180.27 2jsx n ASN 27 N -4.11 0.00 0.11 -0.43 3.02 -0.28 -2.58 115.26 110.99 2jsx n ASN 27 Ca 0.00 -0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.46 2jsx n ASN 27 Cb 0.43 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 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 3.01 0.66 -2.49 5.41 0.00 -1.10 -3.47 119.26 121.28 2jsx h ALA 28 Ca 0.00 -0.32 -0.48 0.00 0.00 0.00 0.00 54.91 54.11 2jsx h ALA 28 Cb 0.13 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2jsx h ALA 28 CO 0.00 0.37 0.41 -0.06 0.00 0.00 0.00 179.25 179.97 2jsx s PHE 29 N -3.14 3.22 -0.17 0.00 0.08 -1.06 -4.93 117.98 111.97 2jsx s PHE 29 Ca 0.01 1.63 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 2jsx s PHE 29 Cb 0.08 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 2jsx s PHE 29 CO 0.77 -0.69 2.02 -2.14 -0.10 0.00 0.00 175.22 175.08 2jsx s PRO 30 N -2.59 3.50 0.00 0.24 0.02 -1.26 -1.77 135.00 133.14 2jsx s PRO 30 Ca 0.59 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2jsx s PRO 30 Cb -0.22 -4.25 0.00 0.00 0.02 0.00 0.00 34.50 30.05 2jsx s PRO 30 CO 0.27 -1.67 0.00 0.41 -0.33 0.00 0.00 177.00 175.68 2jsx n GLY 31 N 5.26 1.09 3.62 0.52 0.00 -1.26 -4.81 105.19 109.61 2jsx n GLY 31 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 1.82 0.56 -0.54 0.00 2.12 -0.52 -4.16 118.70 117.98 2jsx s GLU 33 Ca 0.13 -0.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.97 2jsx s GLU 33 Cb -0.15 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.72 2jsx s GLU 33 CO 0.09 0.11 1.16 0.08 -0.54 0.00 0.00 175.26 176.16 2jsx s VAL 34 N -0.00 4.11 -0.02 3.70 1.01 -1.26 0.09 120.40 128.03 2jsx s VAL 34 Ca 0.00 1.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 2jsx s VAL 34 Cb -0.04 -4.67 -0.33 0.00 0.00 0.00 0.00 36.38 31.34 2jsx s VAL 34 CO -0.00 -1.20 0.90 0.00 0.00 0.00 0.00 175.10 174.80 2jsx h ALA 35 N 9.40 -0.09 -3.37 5.51 0.00 -1.00 -3.44 119.26 126.28 2jsx h ALA 35 Ca -0.24 -0.84 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 2jsx h ALA 35 Cb 1.06 0.20 -0.38 0.00 0.00 0.00 0.00 17.79 18.67 2jsx h ALA 35 CO 1.16 0.61 -0.79 0.08 0.00 0.00 0.00 179.25 180.31 2jsx s VAL 36 N -2.52 1.12 -0.33 0.00 1.01 -1.10 -5.00 120.40 113.58 2jsx s VAL 36 Ca -0.12 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2jsx s VAL 36 Cb 0.03 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2jsx s VAL 36 CO 0.88 0.06 0.09 -0.94 0.00 0.00 0.00 175.10 175.20 2jsx s SER 37 N 1.62 5.23 -0.61 3.32 1.04 -1.26 0.14 113.70 123.17 2jsx s SER 37 Ca -0.00 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.35 2jsx s SER 37 Cb -0.16 -1.85 0.16 0.00 0.10 0.00 0.00 66.02 64.26 2jsx s SER 37 CO -0.07 -0.29 0.41 -0.62 0.98 0.00 0.00 173.24 173.64 2jsx s ASP 38 N 1.41 4.97 0.21 7.02 2.15 -0.59 -4.96 116.67 126.88 2jsx s ASP 38 Ca -0.01 -2.99 -0.09 0.00 0.43 0.00 0.00 52.55 49.89 2jsx s ASP 38 Cb -0.19 -1.79 0.22 0.00 -0.30 0.00 0.00 42.92 40.86 2jsx s ASP 38 CO 0.02 -0.31 1.83 0.00 -0.17 0.00 0.00 175.17 176.55 2jsx h ALA 39 N 6.75 0.92 -0.88 3.66 0.00 -1.92 0.02 119.26 127.82 2jsx h ALA 39 Ca -0.02 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2jsx h ALA 39 Cb 0.92 -0.18 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 2jsx h ALA 39 CO 0.71 0.15 0.23 -1.00 0.00 0.00 0.00 179.25 179.34 2jsx h PRO 40 N 0.79 0.20 0.02 0.00 0.13 -1.92 -1.80 132.00 129.42 2jsx h PRO 40 Ca 0.29 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 65.11 2jsx h PRO 40 Cb 0.10 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.14 2jsx h PRO 40 CO -0.14 0.13 -1.75 -1.13 -0.23 0.00 0.00 178.00 174.88 2jsx n SER 41 N -5.22 1.05 0.00 1.44 3.41 -1.16 -4.98 113.62 108.16 2jsx n SER 41 Ca 0.21 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2jsx n SER 41 Cb 0.68 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2jsx n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jsx n GLY 42 N 1.62 1.03 3.34 5.00 0.00 -0.06 -4.83 105.19 111.30 2jsx n GLY 42 Ca -0.19 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.37 3.07 -0.04 1.61 -0.21 -0.89 -0.86 119.66 120.97 2jsx s GLN 43 Ca 0.00 -0.75 0.06 0.00 0.02 0.00 0.00 55.36 54.69 2jsx s GLN 43 Cb 0.00 -2.47 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2jsx s GLN 43 CO 0.00 0.29 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.72 2jsx s LEU 44 N 0.11 2.22 -0.30 2.90 1.43 0.55 -1.54 118.68 124.05 2jsx s LEU 44 Ca -0.08 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 2jsx s LEU 44 Cb -0.15 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2jsx s LEU 44 CO 0.05 0.30 0.18 -0.63 0.23 0.00 0.00 176.35 176.48 2jsx s ILE 45 N -0.46 4.97 -0.15 -0.59 -1.09 0.12 0.17 121.20 124.18 2jsx s ILE 45 Ca 0.05 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.30 2jsx s ILE 45 Cb -0.12 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 2jsx s ILE 45 CO 0.01 0.14 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.13 2jsx s VAL 46 N 1.69 3.87 -0.28 2.92 1.01 0.39 -0.29 120.40 129.71 2jsx s VAL 46 Ca 0.06 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2jsx s VAL 46 Cb -0.17 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.55 2jsx s VAL 46 CO 0.09 0.50 0.02 -0.69 0.00 0.00 0.00 175.10 175.02 2jsx s VAL 47 N 0.25 3.43 -0.25 2.92 1.01 0.11 -0.04 120.40 127.84 2jsx s VAL 47 Ca -0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2jsx s VAL 47 Cb -0.14 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 2jsx s VAL 47 CO 0.03 0.10 0.17 -0.69 0.00 0.00 0.00 175.10 174.71 2jsx s VAL 48 N 1.40 5.35 -0.23 2.92 1.01 -0.93 -1.44 120.40 128.47 2jsx s VAL 48 Ca 0.01 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 2jsx s VAL 48 Cb -0.17 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2jsx s VAL 48 CO -0.01 0.33 0.07 -1.61 0.00 0.00 0.00 175.10 173.88 2jsx s GLU 49 N 1.18 3.73 -0.13 2.72 2.02 0.16 -2.54 118.70 125.85 2jsx s GLU 49 Ca 0.08 -0.45 -0.11 0.00 0.02 0.00 0.00 54.97 54.51 2jsx s GLU 49 Cb -0.14 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.83 2jsx s GLU 49 CO 0.06 -0.07 0.34 0.00 0.02 0.00 0.00 175.26 175.60 2jsx s ALA 50 N 1.31 -0.83 0.08 5.21 0.00 -0.67 -4.47 121.76 122.39 2jsx s ALA 50 Ca 0.05 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 2jsx s ALA 50 Cb -0.15 -0.60 -0.28 0.00 0.00 0.00 0.00 23.12 22.09 2jsx s ALA 50 CO 0.04 -0.17 1.14 1.49 0.00 0.00 0.00 175.76 178.25 2jsx h GLU 51 N 5.92 0.29 -5.99 0.00 4.81 -1.84 0.21 114.58 117.98 2jsx h GLU 51 Ca -0.29 -0.49 -0.64 0.00 -0.13 0.00 0.00 59.36 57.82 2jsx h GLU 51 Cb 1.18 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.67 2jsx h GLU 51 CO 0.30 1.23 -0.55 0.34 -0.73 0.00 0.00 179.01 179.60 2jsx s ASP 52 N -7.17 5.94 0.16 1.04 -1.08 -1.26 -4.63 116.67 109.68 2jsx s ASP 52 Ca -0.04 0.17 -0.13 0.00 -0.52 0.00 0.00 52.55 52.03 2jsx s ASP 52 Cb 0.07 -1.75 0.06 0.00 -1.46 0.00 0.00 42.92 39.84 2jsx s ASP 52 CO 0.89 0.22 1.72 -1.28 0.52 0.00 0.00 175.17 177.24 2jsx h SER 53 N 3.56 0.76 0.14 -0.34 0.87 -1.99 -1.41 113.55 115.13 2jsx h SER 53 Ca -0.47 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 59.76 2jsx h SER 53 Cb 1.17 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2jsx h SER 53 CO 0.68 0.72 -0.60 -0.33 -0.53 0.00 0.00 176.83 176.77 2jsx h GLU 54 N 0.76 0.47 -0.18 2.24 5.08 -1.99 -1.28 114.58 119.68 2jsx h GLU 54 Ca 0.19 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2jsx h GLU 54 Cb 0.19 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2jsx h GLU 54 CO -0.02 0.93 -0.10 1.15 -1.00 0.00 0.00 179.01 179.97 2jsx h THR 55 N 0.35 1.18 0.03 1.13 2.02 -1.93 -0.26 112.91 115.44 2jsx h THR 55 Ca -0.00 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 2jsx h THR 55 Cb 1.15 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2jsx h THR 55 CO 0.11 0.24 -0.02 0.25 0.37 0.00 0.00 175.52 176.47 2jsx h LEU 56 N 0.27 -0.04 -0.46 2.58 5.85 -0.64 -2.67 115.31 120.19 2jsx h LEU 56 Ca 0.06 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2jsx h LEU 56 Cb 0.36 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2jsx h LEU 56 CO 0.02 0.41 0.16 0.40 -0.34 0.00 0.00 178.44 179.09 2jsx h ILE 57 N -0.50 0.85 -0.43 4.05 2.04 -0.80 -0.09 117.51 122.64 2jsx h ILE 57 Ca -0.00 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2jsx h ILE 57 Cb 0.46 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2jsx h ILE 57 CO 0.01 0.06 0.17 -0.61 0.00 0.00 0.00 178.15 177.78 2jsx h GLN 58 N 0.33 0.35 -0.15 2.37 5.75 -1.09 -0.49 115.11 122.18 2jsx h GLN 58 Ca 0.22 -0.02 -0.17 0.00 -0.15 0.00 0.00 58.65 58.53 2jsx h GLN 58 Cb 0.22 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 2jsx h GLN 58 CO -0.22 0.23 -0.62 1.15 -2.65 0.00 0.00 178.83 176.72 2jsx h THR 59 N 0.36 1.34 -0.22 2.39 2.02 -1.03 -2.23 112.91 115.54 2jsx h THR 59 Ca 0.20 -1.91 -0.02 0.00 0.77 0.00 0.00 66.41 65.45 2jsx h THR 59 Cb 0.16 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2jsx h THR 59 CO -0.18 0.59 0.07 0.40 0.37 0.00 0.00 175.52 176.76 2jsx h ILE 60 N 0.38 1.19 -0.27 3.11 2.04 -0.49 -2.08 117.51 121.39 2jsx h ILE 60 Ca -0.01 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2jsx h ILE 60 Cb 1.17 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2jsx h ILE 60 CO 0.11 0.19 0.00 -0.33 0.00 0.00 0.00 178.15 178.13 2jsx h GLU 61 N 0.18 0.40 -0.52 2.37 4.39 -1.08 -2.19 114.58 118.14 2jsx h GLU 61 Ca 0.07 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jsx h GLU 61 Cb 0.23 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2jsx h GLU 61 CO -0.00 0.43 0.34 0.77 -1.16 0.00 0.00 179.01 179.38 2jsx h SER 62 N 0.39 0.60 -0.79 1.42 0.02 -1.04 -1.34 113.55 112.82 2jsx h SER 62 Ca 0.09 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2jsx h SER 62 Cb 0.26 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 2jsx h SER 62 CO 0.01 0.44 0.52 0.58 -1.14 0.00 0.00 176.83 177.24 2jsx h VAL 63 N 0.70 1.16 0.00 2.27 2.07 -0.78 -0.66 116.25 121.00 2jsx h VAL 63 Ca 0.19 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2jsx h VAL 63 Cb -0.07 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2jsx h VAL 63 CO -0.04 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.28 2jsx n ARG 64 N -4.43 0.19 0.00 1.57 1.74 -0.70 -2.56 116.66 112.47 2jsx n ARG 64 Ca 0.09 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.58 2jsx n ARG 64 Cb 0.07 -1.77 0.50 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.11 1.05 -4.71 0.55 5.03 -0.26 -4.88 115.26 109.93 2jsx n ASN 65 Ca 0.04 -1.06 -0.42 0.00 0.87 0.00 0.00 54.58 54.01 2jsx n ASN 65 Cb 0.33 0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 39.10 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 -2.29 4.06 0.06 2.41 1.01 -1.06 -4.95 120.40 119.64 2jsx s VAL 66 Ca 0.31 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.65 2jsx s VAL 66 Cb 0.20 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2jsx s VAL 66 CO 0.44 0.11 0.99 -0.62 0.00 0.00 0.00 175.10 176.03 2jsx n GLU 67 N 3.93 -0.17 -0.07 2.72 -0.58 -1.26 -0.90 120.64 124.30 2jsx n GLU 67 Ca 0.09 0.98 0.04 0.00 -0.42 0.00 0.00 57.16 57.85 2jsx n GLU 67 Cb 0.46 -1.46 0.16 0.00 -0.57 0.00 0.00 31.44 30.04 2jsx n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsx n GLY 68 N -1.10 -0.27 3.71 0.62 0.00 -1.26 -4.78 105.19 102.11 2jsx n GLY 68 Ca 0.01 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.81 5.01 -0.13 1.61 1.01 -0.08 -2.10 120.40 123.91 2jsx s VAL 69 Ca 0.15 1.58 -0.15 0.00 0.00 0.00 0.00 61.98 63.56 2jsx s VAL 69 Cb 0.08 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2jsx s VAL 69 CO 0.11 0.23 -0.28 0.18 0.00 0.00 0.00 175.10 175.34 2jsx n LEU 70 N 3.82 1.72 -3.81 3.92 4.77 0.14 -4.88 117.00 122.67 2jsx n LEU 70 Ca 0.00 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2jsx n LEU 70 Cb 0.51 -0.67 -0.17 0.00 -2.33 0.00 0.00 43.42 40.76 2jsx n LEU 70 CO 0.48 -0.35 -0.38 0.00 -1.33 0.00 0.00 177.39 175.81 2jsx s ALA 71 N -2.79 0.55 -0.30 -1.18 0.00 -1.08 -5.00 121.76 111.97 2jsx s ALA 71 Ca -0.23 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2jsx s ALA 71 Cb 0.03 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2jsx s ALA 71 CO 0.35 -0.24 0.08 0.08 0.00 0.00 0.00 175.76 176.03 2jsx s VAL 72 N 1.44 3.90 -0.35 0.00 1.01 -1.26 0.12 120.40 125.26 2jsx s VAL 72 Ca -0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 2jsx s VAL 72 Cb -0.13 -3.04 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 2jsx s VAL 72 CO -0.03 0.04 0.61 -0.55 0.00 0.00 0.00 175.10 175.18 2jsx s SER 73 N 1.48 6.42 -0.25 3.32 0.15 0.51 -4.91 113.70 120.41 2jsx s SER 73 Ca 0.02 0.16 -0.22 0.00 0.70 0.00 0.00 55.95 56.60 2jsx s SER 73 Cb -0.18 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2jsx s SER 73 CO 0.02 -0.56 0.72 -0.22 1.20 0.00 0.00 173.24 174.41 2jsx s LEU 74 N 2.64 4.07 0.53 3.45 0.20 -1.26 -0.51 118.68 127.81 2jsx s LEU 74 Ca 0.24 0.83 0.24 0.00 0.69 0.00 0.00 54.13 56.13 2jsx s LEU 74 Cb -0.15 -3.01 1.39 0.00 -0.43 0.00 0.00 46.19 44.00 2jsx s LEU 74 CO 0.14 -0.45 2.03 1.62 -0.29 0.00 0.00 176.35 179.41 2jsx h VAL 75 N 5.43 0.76 -2.96 1.68 3.04 -1.46 -3.35 116.25 119.39 2jsx h VAL 75 Ca -0.25 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.85 2jsx h VAL 75 Cb 1.11 0.79 -0.40 0.00 -2.01 0.00 0.00 31.29 30.78 2jsx h VAL 75 CO 0.82 0.00 -0.77 -0.47 -1.01 0.00 0.00 177.57 176.14 2jsx s TYR 76 N -4.99 1.54 -0.24 3.17 6.14 -1.26 -5.04 117.35 116.67 2jsx s TYR 76 Ca -0.05 -1.91 -0.20 0.00 0.64 0.00 0.00 57.07 55.54 2jsx s TYR 76 Cb 0.19 -1.58 0.06 0.00 0.42 0.00 0.00 41.96 41.05 2jsx s TYR 76 CO 0.70 -0.83 0.62 -1.58 0.64 0.00 0.00 175.55 175.10 2jsx s HIS 77 N 1.09 -0.73 0.07 4.97 2.46 -1.26 -5.12 115.29 116.77 2jsx s HIS 77 Ca 0.14 1.71 0.04 0.00 0.47 0.00 0.00 55.06 57.43 2jsx s HIS 77 Cb -0.21 0.28 -0.03 0.00 -0.13 0.00 0.00 32.58 32.50 2jsx s HIS 77 CO -0.12 -0.36 -0.13 1.14 -2.47 0.00 0.00 174.74 172.81 2jsx s GLN 78 N 0.54 0.79 -1.23 2.88 -2.07 -1.26 -5.06 119.66 114.25 2jsx s GLN 78 Ca -0.02 -0.97 -0.20 0.00 -1.82 0.00 0.00 55.36 52.35 2jsx s GLN 78 Cb -0.05 -0.70 -0.02 0.00 -1.09 0.00 0.00 33.01 31.16 2jsx s GLN 78 CO -0.02 0.15 1.86 1.04 -1.32 0.00 0.00 175.29 176.99 2jsx n GLN 79 N 1.15 2.34 -0.09 9.60 3.00 -1.26 -4.51 117.38 127.61 2jsx n GLN 79 Ca -0.20 -2.82 -0.15 0.00 -0.01 0.00 0.00 57.00 53.82 2jsx n GLN 79 Cb 0.55 -3.60 -0.05 0.00 0.00 0.00 0.00 30.24 27.14 2jsx n GLN 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2jsx n GLU 80 N 8.24 0.48 0.06 -1.09 1.02 -1.26 -4.38 120.64 123.71 2jsx n GLU 80 Ca 0.47 0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.94 2jsx n GLU 80 Cb 0.46 -1.32 0.49 0.00 -0.02 0.00 0.00 31.44 31.05 2jsx n GLU 80 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jsx n GLU 81 N -4.22 0.14 -3.33 3.49 1.02 -1.26 -4.37 120.64 112.11 2jsx n GLU 81 Ca -0.26 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 2jsx n GLU 81 Cb 0.60 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 2jsx n GLU 81 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2jsx s GLN 82 N -3.07 0.55 0.44 3.49 -2.07 -1.26 -4.96 119.66 112.77 2jsx s GLN 82 Ca 0.11 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 2jsx s GLN 82 Cb 0.15 -0.47 0.00 0.00 -1.09 0.00 0.00 33.01 31.59 2jsx s GLN 82 CO 0.54 -1.12 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 2jsx n GLY 83 N 4.77 -1.81 1.27 2.60 0.00 -1.26 -4.65 105.19 106.12 2jsx n GLY 83 Ca 0.06 0.38 0.04 0.00 0.00 0.00 0.00 46.02 46.50 2jsx n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jsx n GLU 84 N -3.40 3.17 -1.64 1.61 1.02 -1.26 -4.92 120.64 115.22 2jsx n GLU 84 Ca 0.00 -1.82 -0.51 0.00 -0.02 0.00 0.00 57.16 54.81 2jsx n GLU 84 Cb 0.00 -1.89 -0.06 0.00 -0.02 0.00 0.00 31.44 29.47 2jsx n GLU 84 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jsx n GLU 85 N 0.41 1.70 -3.50 3.49 -0.58 -1.26 -4.94 120.64 115.96 2jsx n GLU 85 Ca 0.16 0.60 -0.42 0.00 -0.42 0.00 0.00 57.16 57.08 2jsx n GLU 85 Cb 0.77 -2.51 -0.07 0.00 -0.57 0.00 0.00 31.44 29.05 2jsx n GLU 85 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2jsx s THR 86 N 4.81 4.45 -0.12 2.62 2.01 -1.26 -4.90 115.64 123.25 2jsx s THR 86 Ca 0.98 -1.83 0.16 0.00 0.31 0.00 0.00 61.69 61.32 2jsx s THR 86 Cb -0.80 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 67.71 2jsx s THR 86 CO 0.54 -0.81 0.97 1.55 -0.69 0.00 0.00 174.62 176.18 2jsx h PRO 87 N 8.43 0.00 -4.45 4.92 0.13 -2.02 -3.44 132.00 135.58 2jsx h PRO 87 Ca -0.20 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.20 2jsx h PRO 87 Cb 1.07 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.99 2jsx h PRO 87 CO 0.88 0.35 -0.12 1.03 -0.23 0.00 0.00 178.00 179.91 2jsx s ARG 88 N -2.93 3.02 -0.51 0.86 0.52 -1.26 -5.00 118.95 113.66 2jsx s ARG 88 Ca -0.01 -1.37 -0.14 0.00 -0.52 0.00 0.00 55.73 53.68 2jsx s ARG 88 Cb 0.08 -4.21 0.12 0.00 0.52 0.00 0.00 34.95 31.46 2jsx s ARG 88 CO 0.80 -1.28 0.44 -1.12 0.02 0.00 0.00 175.30 174.16 2jsx s SER 89 N 3.17 6.06 0.45 0.23 0.01 -1.26 -5.05 113.70 117.30 2jsx s SER 89 Ca 0.07 -1.75 -0.10 0.00 1.31 0.00 0.00 55.95 55.49 2jsx s SER 89 Cb -0.25 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.77 2jsx s SER 89 CO 0.06 -0.78 0.81 -1.00 0.41 0.00 0.00 173.24 172.74 2jsx s HIS 90 N 1.55 3.51 -1.03 2.43 3.76 -1.26 -5.00 115.29 119.24 2jsx s HIS 90 Ca 0.04 1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 55.86 2jsx s HIS 90 Cb -0.28 -2.46 0.23 0.00 1.11 0.00 0.00 32.58 31.19 2jsx s HIS 90 CO 0.03 -0.23 1.06 -1.58 -0.85 0.00 0.00 174.74 173.17 2jsx s HIS 91 N -2.57 3.91 -0.08 1.40 2.46 -1.26 -4.64 115.29 114.52 2jsx s HIS 91 Ca 0.51 -2.30 0.24 0.00 0.47 0.00 0.00 55.06 53.98 2jsx s HIS 91 Cb -0.10 -3.94 0.45 0.00 -0.13 0.00 0.00 32.58 28.85 2jsx s HIS 91 CO 0.37 -1.08 1.16 1.58 -2.47 0.00 0.00 174.74 174.31 2jsx n HIS 92 N 3.84 0.31 -3.56 3.88 -0.00 -1.26 -5.07 115.22 113.37 2jsx n HIS 92 Ca 0.23 -0.95 -0.17 0.00 -0.00 0.00 0.00 57.72 56.83 2jsx n HIS 92 Cb 0.43 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 2jsx n HIS 92 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jsx s HIS 93 N -1.13 -0.65 -0.17 1.57 -3.43 -1.26 -5.03 115.29 105.19 2jsx s HIS 93 Ca 0.33 1.22 -0.00 0.00 -0.80 0.00 0.00 55.06 55.81 2jsx s HIS 93 Cb 0.38 0.36 -0.23 0.00 -1.43 0.00 0.00 32.58 31.66 2jsx s HIS 93 CO -0.13 -0.55 0.17 0.72 -2.00 0.00 0.00 174.74 172.95 2jsx n HIS 94 N 1.29 0.72 0.14 0.38 8.25 -1.26 -5.19 115.22 119.55 2jsx n HIS 94 Ca -0.18 0.17 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2jsx n HIS 94 Cb 0.57 -1.10 0.01 0.00 1.12 0.00 0.00 29.99 30.59 2jsx n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70