#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 0.00 -3.13 3.17 1.44 -1.26 -5.08 115.22 110.36 2jsx n HIS 2 Ca 0.00 -0.20 -0.27 0.00 -2.01 0.00 0.00 57.72 55.24 2jsx n HIS 2 Cb 0.00 -0.06 -0.02 0.00 0.12 0.00 0.00 29.99 30.03 2jsx n HIS 2 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2jsx s THR 3 N -0.55 4.99 -1.10 0.61 2.01 -1.26 -4.97 115.64 115.37 2jsx s THR 3 Ca 0.06 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.90 2jsx s THR 3 Cb 0.05 -3.79 0.09 0.00 0.01 0.00 0.00 72.50 68.86 2jsx s THR 3 CO 0.01 -0.52 1.44 0.21 -0.69 0.00 0.00 174.62 175.07 2jsx s ASN 4 N -3.58 6.71 -0.23 3.53 3.84 -1.26 -4.93 114.94 119.01 2jsx s ASN 4 Ca 0.45 -2.09 -0.33 0.00 0.21 0.00 0.00 52.86 51.10 2jsx s ASN 4 Cb -0.10 -2.51 -0.10 0.00 -0.55 0.00 0.00 41.25 37.99 2jsx s ASN 4 CO 0.35 -1.20 2.10 -2.67 -2.79 0.00 0.00 177.10 172.89 2jsx n TRP 5 N 7.70 1.93 -2.05 0.43 4.27 -1.26 -4.84 117.44 123.62 2jsx n TRP 5 Ca 0.35 0.08 -0.42 0.00 -3.89 0.00 0.00 57.50 53.62 2jsx n TRP 5 Cb 0.48 -2.63 -0.03 0.00 -1.36 0.00 0.00 31.31 27.78 2jsx n TRP 5 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2jsx s GLN 6 N 5.58 4.22 0.04 -2.67 -2.07 -1.00 -4.61 119.66 119.16 2jsx s GLN 6 Ca 1.02 2.16 0.00 0.00 -1.82 0.00 0.00 55.36 56.72 2jsx s GLN 6 Cb -0.66 -3.70 -0.04 0.00 -1.09 0.00 0.00 33.01 27.52 2jsx s GLN 6 CO 0.46 -0.71 0.15 0.14 -1.32 0.00 0.00 175.29 174.01 2jsx s VAL 7 N 2.96 5.08 -0.09 3.63 -7.23 -1.26 -2.46 120.40 121.03 2jsx s VAL 7 Ca 0.70 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 2jsx s VAL 7 Cb -0.35 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.21 2jsx s VAL 7 CO 0.29 0.20 0.21 0.00 -0.31 0.00 0.00 175.10 175.49 2jsx s SER 9 N 1.62 7.00 -0.09 0.00 0.15 -1.26 -1.14 113.70 119.99 2jsx s SER 9 Ca -0.05 1.19 0.02 0.00 0.70 0.00 0.00 55.95 57.81 2jsx s SER 9 Cb -0.11 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 2jsx s SER 9 CO -0.07 0.10 -0.16 -0.76 1.20 0.00 0.00 173.24 173.54 2jsx s LEU 10 N -0.21 2.57 -0.57 3.45 1.43 0.15 -0.54 118.68 124.96 2jsx s LEU 10 Ca 0.32 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2jsx s LEU 10 Cb -0.18 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.59 2jsx s LEU 10 CO 0.18 0.24 0.68 -0.69 0.23 0.00 0.00 176.35 176.98 2jsx s VAL 11 N -0.09 4.85 -0.50 -1.59 1.01 0.10 -1.17 120.40 123.00 2jsx s VAL 11 Ca -0.03 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.88 2jsx s VAL 11 Cb -0.14 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.86 2jsx s VAL 11 CO 0.04 -1.04 0.59 -0.69 0.00 0.00 0.00 175.10 174.00 2jsx s VAL 12 N 2.64 4.92 -0.37 2.92 1.01 0.72 -0.21 120.40 132.04 2jsx s VAL 12 Ca 0.12 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 2jsx s VAL 12 Cb -0.23 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.88 2jsx s VAL 12 CO 0.07 -0.78 0.86 -1.58 0.00 0.00 0.00 175.10 173.68 2jsx s GLN 13 N 2.49 3.80 0.27 2.72 2.00 0.89 -0.47 119.66 131.36 2jsx s GLN 13 Ca 0.13 0.46 0.02 0.00 -2.00 0.00 0.00 55.36 53.97 2jsx s GLN 13 Cb -0.20 -3.81 -0.04 0.00 0.80 0.00 0.00 33.01 29.76 2jsx s GLN 13 CO 0.11 -0.91 0.14 0.00 -0.50 0.00 0.00 175.29 174.13 2jsx s ALA 14 N 3.31 1.70 -0.15 1.58 0.00 0.09 0.13 121.76 128.43 2jsx s ALA 14 Ca 0.35 -1.79 -0.33 0.00 0.00 0.00 0.00 51.96 50.19 2jsx s ALA 14 Cb -0.12 1.19 -0.10 0.00 0.00 0.00 0.00 23.12 24.08 2jsx s ALA 14 CO 0.18 -0.52 2.01 1.63 0.00 0.00 0.00 175.76 179.07 2jsx n LYS 15 N -0.47 2.03 0.27 0.00 4.01 -0.26 -4.52 118.16 119.21 2jsx n LYS 15 Ca 0.01 0.69 0.10 0.00 -0.51 0.00 0.00 58.31 58.60 2jsx n LYS 15 Cb 0.65 -2.78 0.72 0.00 -0.51 0.00 0.00 35.03 33.12 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 11.09 0.00 1.18 4.39 4.64 -1.85 -0.03 113.55 132.97 2jsx h SER 16 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jsx h SER 16 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jsx h SER 16 CO 0.96 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 175.08 2jsx n GLU 17 N -4.34 0.13 -0.12 4.77 0.28 -1.26 -3.58 120.64 116.52 2jsx n GLU 17 Ca -0.03 0.13 0.06 0.00 -0.16 0.00 0.00 57.16 57.16 2jsx n GLU 17 Cb 0.09 -1.66 0.08 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.89 1.37 0.05 3.44 0.63 -0.06 -4.80 116.66 115.40 2jsx n ARG 18 Ca 0.06 -2.03 -0.12 0.00 -0.92 0.00 0.00 57.85 54.84 2jsx n ARG 18 Cb 0.37 -1.20 -0.07 0.00 0.45 0.00 0.00 32.46 32.00 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 1.19 0.99 -0.67 5.15 1.08 -1.53 -1.05 117.51 122.67 2jsx h ILE 19 Ca 0.00 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2jsx h ILE 19 Cb 0.96 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 2jsx h ILE 19 CO 0.00 0.01 0.43 0.28 -0.69 0.00 0.00 178.15 178.18 2jsx h SER 20 N -0.05 0.77 0.29 1.72 0.02 -1.88 0.22 113.55 114.65 2jsx h SER 20 Ca -0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2jsx h SER 20 Cb 0.04 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.39 2jsx h SER 20 CO 0.01 0.57 -0.14 0.44 -1.14 0.00 0.00 176.83 176.57 2jsx h ASP 21 N 0.91 -0.33 -0.18 3.07 3.32 -1.79 -2.87 116.42 118.55 2jsx h ASP 21 Ca 0.24 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2jsx h ASP 21 Cb -0.09 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2jsx h ASP 21 CO -0.05 -0.04 -0.12 0.40 -1.72 0.00 0.00 179.24 177.71 2jsx h ILE 22 N -0.62 1.24 -0.13 0.35 2.04 -0.79 -2.63 117.51 116.96 2jsx h ILE 22 Ca -0.04 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2jsx h ILE 22 Cb 0.45 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2jsx h ILE 22 CO 0.07 0.34 0.00 0.28 0.00 0.00 0.00 178.15 178.84 2jsx h SER 23 N 0.51 0.16 0.52 1.72 0.02 -0.47 0.29 113.55 116.29 2jsx h SER 23 Ca 0.09 -0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.79 2jsx h SER 23 Cb 0.51 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2jsx h SER 23 CO 0.03 0.20 -1.07 0.74 -1.14 0.00 0.00 176.83 175.59 2jsx h THR 24 N 0.18 1.47 -0.14 -2.27 2.02 -1.25 -2.78 112.91 110.14 2jsx h THR 24 Ca 0.04 -2.77 -0.15 0.00 0.77 0.00 0.00 66.41 64.30 2jsx h THR 24 Cb 0.13 2.67 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 2jsx h THR 24 CO 0.00 0.81 -0.50 1.56 0.37 0.00 0.00 175.52 177.77 2jsx h GLN 25 N 0.14 0.59 -0.15 6.66 4.20 -1.13 -3.03 115.11 122.39 2jsx h GLN 25 Ca -0.10 -0.44 -0.07 0.00 0.06 0.00 0.00 58.65 58.09 2jsx h GLN 25 Cb 1.75 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.60 2jsx h GLN 25 CO 0.18 1.07 -0.24 -0.07 -0.67 0.00 0.00 178.83 179.09 2jsx h LEU 26 N 0.23 0.27 -0.32 1.46 3.38 -0.49 -1.89 115.31 117.94 2jsx h LEU 26 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2jsx h LEU 26 Cb 1.13 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2jsx h LEU 26 CO 0.11 0.52 0.00 0.59 0.09 0.00 0.00 178.44 179.74 2jsx n ASN 27 N -4.17 0.49 -0.08 -0.43 3.02 -1.05 -3.50 115.26 109.55 2jsx n ASN 27 Ca -0.01 -1.32 0.12 0.00 -0.03 0.00 0.00 54.58 53.34 2jsx n ASN 27 Cb 0.36 -0.02 0.21 0.00 -0.61 0.00 0.00 39.78 39.72 2jsx n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jsx n ALA 28 N -0.55 3.64 -2.46 5.41 0.00 -0.71 -4.86 120.51 120.99 2jsx n ALA 28 Ca 0.19 -0.42 -0.37 0.00 0.00 0.00 0.00 53.44 52.84 2jsx n ALA 28 Cb 0.17 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.87 3.71 -0.35 0.00 0.08 -1.23 -5.01 117.98 112.31 2jsx s PHE 29 Ca 0.14 1.02 -0.29 0.00 0.12 0.00 0.00 56.93 57.92 2jsx s PHE 29 Cb 0.18 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2jsx s PHE 29 CO 0.68 0.59 1.64 -2.14 -0.10 0.00 0.00 175.22 175.90 2jsx s PRO 30 N -1.31 3.45 0.00 0.24 0.02 -1.26 -2.29 135.00 133.85 2jsx s PRO 30 Ca 0.28 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.56 2jsx s PRO 30 Cb -0.17 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.23 2jsx s PRO 30 CO 0.16 -1.71 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 2jsx n GLY 31 N 5.25 0.87 3.08 0.52 0.00 -1.26 -4.98 105.19 108.66 2jsx n GLY 31 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 1.28 0.11 -0.03 0.00 2.12 -0.63 -4.29 118.70 117.25 2jsx s GLU 33 Ca 0.02 -0.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 2jsx s GLU 33 Cb -0.13 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.17 2jsx s GLU 33 CO -0.09 0.01 0.79 0.08 -0.54 0.00 0.00 175.26 175.51 2jsx s VAL 34 N -0.25 4.96 -0.05 3.70 1.01 -1.26 0.10 120.40 128.60 2jsx s VAL 34 Ca -0.02 1.65 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 2jsx s VAL 34 Cb -0.02 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2jsx s VAL 34 CO -0.00 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.23 2jsx n ALA 35 N 3.70 0.26 -2.85 5.51 0.00 0.10 -4.92 120.51 122.32 2jsx n ALA 35 Ca 0.01 -0.42 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2jsx n ALA 35 Cb 0.51 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.58 4.27 -0.17 0.00 1.01 -1.20 -4.97 120.40 117.75 2jsx s VAL 36 Ca -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2jsx s VAL 36 Cb 0.01 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.54 2jsx s VAL 36 CO 0.13 0.51 -0.20 -0.44 0.00 0.00 0.00 175.10 175.10 2jsx s SER 37 N 0.06 3.15 -0.54 3.32 0.01 -1.26 -0.14 113.70 118.31 2jsx s SER 37 Ca 0.02 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2jsx s SER 37 Cb -0.13 -1.47 0.14 0.00 0.21 0.00 0.00 66.02 64.77 2jsx s SER 37 CO 0.02 0.03 0.33 -1.81 0.41 0.00 0.00 173.24 172.21 2jsx s ASP 38 N 1.12 5.02 0.24 2.44 1.01 0.89 -4.97 116.67 122.43 2jsx s ASP 38 Ca 0.01 -2.66 -0.06 0.00 0.71 0.00 0.00 52.55 50.55 2jsx s ASP 38 Cb -0.14 -1.79 0.35 0.00 1.01 0.00 0.00 42.92 42.35 2jsx s ASP 38 CO -0.09 -0.38 1.82 0.00 0.21 0.00 0.00 175.17 176.73 2jsx h ALA 39 N 7.18 1.12 -0.72 5.23 0.00 -1.93 0.91 119.26 131.05 2jsx h ALA 39 Ca -0.05 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2jsx h ALA 39 Cb 0.96 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 2jsx h ALA 39 CO 0.69 0.14 0.29 -1.00 0.00 0.00 0.00 179.25 179.37 2jsx h PRO 40 N 0.82 0.44 0.00 0.00 0.13 -1.93 -2.58 132.00 128.87 2jsx h PRO 40 Ca 0.37 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 2jsx h PRO 40 Cb 0.27 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.30 2jsx h PRO 40 CO -0.21 0.29 -1.12 0.43 -0.23 0.00 0.00 178.00 177.16 2jsx n SER 41 N -4.99 0.74 -0.35 1.44 7.64 -1.16 -4.96 113.62 111.99 2jsx n SER 41 Ca 0.13 -0.66 -0.03 0.00 1.01 0.00 0.00 58.87 59.31 2jsx n SER 41 Cb 0.37 1.06 -0.01 0.00 -1.01 0.00 0.00 64.21 64.62 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 1.44 0.38 3.71 0.23 0.00 0.19 -4.80 105.19 106.35 2jsx n GLY 42 Ca 0.03 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.49 4.20 -0.20 1.61 0.74 -0.48 -0.73 119.66 121.31 2jsx s GLN 43 Ca 0.00 -0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.37 2jsx s GLN 43 Cb 0.00 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2jsx s GLN 43 CO 0.00 0.21 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.28 2jsx s LEU 44 N 0.58 2.48 -0.29 3.68 1.43 0.38 -0.07 118.68 126.86 2jsx s LEU 44 Ca 0.12 -0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 52.16 2jsx s LEU 44 Cb -0.12 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2jsx s LEU 44 CO 0.02 -0.07 0.63 -0.63 0.23 0.00 0.00 176.35 176.53 2jsx s ILE 45 N 1.26 4.95 -0.12 -0.59 -1.09 0.81 -0.20 121.20 126.21 2jsx s ILE 45 Ca 0.01 0.92 0.02 0.00 -2.23 0.00 0.00 60.65 59.36 2jsx s ILE 45 Cb -0.15 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 2jsx s ILE 45 CO -0.10 -0.10 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.64 2jsx s VAL 46 N 2.58 2.64 -0.32 2.92 1.01 -0.32 0.02 120.40 128.93 2jsx s VAL 46 Ca 0.25 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2jsx s VAL 46 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2jsx s VAL 46 CO 0.11 0.54 0.12 -0.69 0.00 0.00 0.00 175.10 175.18 2jsx s VAL 47 N 0.37 4.15 -0.20 2.92 1.01 0.11 0.35 120.40 129.11 2jsx s VAL 47 Ca -0.14 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 2jsx s VAL 47 Cb -0.17 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2jsx s VAL 47 CO 0.07 -0.03 0.03 -0.69 0.00 0.00 0.00 175.10 174.48 2jsx s VAL 48 N 1.51 4.32 -0.09 2.92 1.01 -0.29 -1.61 120.40 128.17 2jsx s VAL 48 Ca 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 2jsx s VAL 48 Cb -0.18 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2jsx s VAL 48 CO 0.04 0.43 -0.05 -1.83 0.00 0.00 0.00 175.10 173.68 2jsx s GLU 49 N 0.82 1.17 -0.01 2.72 -1.05 -0.12 -0.62 118.70 121.61 2jsx s GLU 49 Ca 0.02 -0.14 -0.03 0.00 -0.15 0.00 0.00 54.97 54.67 2jsx s GLU 49 Cb -0.14 -1.29 -0.00 0.00 -0.44 0.00 0.00 34.13 32.26 2jsx s GLU 49 CO 0.02 -0.23 0.06 0.00 0.95 0.00 0.00 175.26 176.07 2jsx s ALA 50 N 1.60 -0.14 0.07 -0.84 0.00 -1.03 -4.68 121.76 116.74 2jsx s ALA 50 Ca 0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 2jsx s ALA 50 Cb -0.13 0.01 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 2jsx s ALA 50 CO -0.05 -0.11 1.44 1.49 0.00 0.00 0.00 175.76 178.53 2jsx h GLU 51 N 5.23 -0.69 -5.99 0.00 4.57 -1.90 -2.64 114.58 113.16 2jsx h GLU 51 Ca -0.28 0.05 -0.61 0.00 -1.18 0.00 0.00 59.36 57.34 2jsx h GLU 51 Cb 1.20 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.90 2jsx h GLU 51 CO 0.43 -0.46 -0.33 0.34 -1.18 0.00 0.00 179.01 177.81 2jsx s ASP 52 N -4.02 6.55 0.31 1.04 2.15 -1.26 -4.52 116.67 116.92 2jsx s ASP 52 Ca -0.14 0.65 0.04 0.00 0.43 0.00 0.00 52.55 53.54 2jsx s ASP 52 Cb 0.04 -2.12 0.65 0.00 -0.30 0.00 0.00 42.92 41.19 2jsx s ASP 52 CO 0.48 0.22 1.85 0.28 -0.17 0.00 0.00 175.17 177.82 2jsx h SER 53 N 3.85 0.83 0.72 -0.34 0.02 -1.97 -1.89 113.55 114.77 2jsx h SER 53 Ca -0.49 0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.31 2jsx h SER 53 Cb 1.19 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 2jsx h SER 53 CO 0.66 0.43 -0.86 -0.08 -1.14 0.00 0.00 176.83 175.84 2jsx h GLU 54 N 0.89 0.09 -0.59 3.45 4.81 -1.97 -2.82 114.58 118.44 2jsx h GLU 54 Ca 0.48 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 2jsx h GLU 54 Cb 0.57 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2jsx h GLU 54 CO -0.25 0.89 0.25 1.15 -0.73 0.00 0.00 179.01 180.33 2jsx h THR 55 N 0.05 1.21 0.06 0.32 2.02 -1.75 -0.43 112.91 114.39 2jsx h THR 55 Ca -0.03 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2jsx h THR 55 Cb 1.50 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jsx h THR 55 CO 0.12 0.25 -0.03 0.25 0.37 0.00 0.00 175.52 176.48 2jsx h LEU 56 N 0.84 -0.07 -0.42 2.58 5.85 -1.25 -1.43 115.31 121.42 2jsx h LEU 56 Ca 0.20 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2jsx h LEU 56 Cb 0.14 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2jsx h LEU 56 CO -0.02 0.09 0.12 0.40 -0.34 0.00 0.00 178.44 178.69 2jsx h ILE 57 N -0.23 0.83 -0.74 4.05 2.04 -1.17 -0.04 117.51 122.25 2jsx h ILE 57 Ca -0.01 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 2jsx h ILE 57 Cb 0.20 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2jsx h ILE 57 CO 0.01 0.05 0.25 1.56 0.00 0.00 0.00 178.15 180.02 2jsx h GLN 58 N 0.27 1.14 -0.25 2.37 1.08 -1.01 -0.76 115.11 117.95 2jsx h GLN 58 Ca 0.20 -0.23 -0.15 0.00 -1.45 0.00 0.00 58.65 57.01 2jsx h GLN 58 Cb 0.21 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 2jsx h GLN 58 CO -0.23 0.96 -0.45 1.15 -0.95 0.00 0.00 178.83 179.31 2jsx h THR 59 N 1.10 1.30 -0.31 -0.54 2.02 -0.53 -2.39 112.91 113.55 2jsx h THR 59 Ca 0.24 -1.64 -0.08 0.00 0.77 0.00 0.00 66.41 65.70 2jsx h THR 59 Cb 0.28 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2jsx h THR 59 CO -0.01 0.52 -0.13 0.40 0.37 0.00 0.00 175.52 176.67 2jsx h ILE 60 N 0.52 1.24 -0.61 3.11 2.04 -0.72 -2.47 117.51 120.61 2jsx h ILE 60 Ca 0.03 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.84 2jsx h ILE 60 Cb 0.99 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2jsx h ILE 60 CO 0.09 0.35 0.39 -0.08 0.00 0.00 0.00 178.15 178.90 2jsx h GLU 61 N 0.49 0.76 -0.70 2.37 4.81 -0.77 -1.74 114.58 119.81 2jsx h GLU 61 Ca 0.09 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2jsx h GLU 61 Cb 0.52 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 2jsx h GLU 61 CO 0.03 0.51 0.42 0.77 -0.73 0.00 0.00 179.01 180.01 2jsx h SER 62 N 0.79 0.67 -0.94 1.04 0.02 -1.00 -1.88 113.55 112.24 2jsx h SER 62 Ca 0.24 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2jsx h SER 62 Cb -0.04 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2jsx h SER 62 CO -0.07 0.45 0.61 0.58 -1.14 0.00 0.00 176.83 177.26 2jsx h VAL 63 N 0.80 1.19 0.00 2.27 2.07 -0.99 -1.18 116.25 120.42 2jsx h VAL 63 Ca 0.29 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2jsx h VAL 63 Cb 0.09 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2jsx h VAL 63 CO -0.14 0.22 -0.28 0.03 0.02 0.00 0.00 177.57 177.42 2jsx h ARG 64 N 1.22 0.00 0.00 1.57 3.08 -0.68 -2.94 114.38 116.63 2jsx h ARG 64 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2jsx h ARG 64 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jsx h ARG 64 CO -0.10 0.28 0.00 0.09 -1.07 0.00 0.00 179.97 179.17 2jsx n ASN 65 N -3.79 0.00 -4.69 7.04 3.02 -0.45 -4.77 115.26 111.62 2jsx n ASN 65 Ca -0.01 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 2jsx n ASN 65 Cb 0.37 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 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 -2.82 4.30 -0.21 2.41 1.01 -1.11 -4.94 120.40 119.04 2jsx s VAL 66 Ca 0.18 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 2jsx s VAL 66 Cb 0.17 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2jsx s VAL 66 CO 0.44 -0.01 1.43 -1.61 0.00 0.00 0.00 175.10 175.36 2jsx s GLU 67 N 2.23 3.99 0.00 2.72 2.02 -1.26 -2.29 118.70 126.11 2jsx s GLU 67 Ca 0.55 1.58 0.00 0.00 0.02 0.00 0.00 54.97 57.13 2jsx s GLU 67 Cb -0.24 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.08 2jsx s GLU 67 CO 0.21 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.87 2jsx n GLY 68 N 4.22 0.68 3.76 -1.39 0.00 -1.26 -4.94 105.19 106.26 2jsx n GLY 68 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 4.62 -0.24 1.61 1.01 -0.97 -1.11 120.40 124.45 2jsx s VAL 69 Ca 0.00 1.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.58 2jsx s VAL 69 Cb 0.00 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 2jsx s VAL 69 CO 0.00 0.43 -0.23 0.18 0.00 0.00 0.00 175.10 175.48 2jsx n LEU 70 N 2.33 2.74 -3.66 3.92 4.77 0.12 -4.96 117.00 122.26 2jsx n LEU 70 Ca -0.04 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 2jsx n LEU 70 Cb 0.50 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 2jsx n LEU 70 CO 0.46 0.82 0.26 0.00 -1.33 0.00 0.00 177.39 177.60 2jsx s ALA 71 N -2.47 -1.63 -0.37 -1.18 0.00 -0.80 -5.00 121.76 110.32 2jsx s ALA 71 Ca -0.32 2.15 -0.09 0.00 0.00 0.00 0.00 51.96 53.70 2jsx s ALA 71 Cb 0.09 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.97 2jsx s ALA 71 CO 0.52 -0.35 0.17 0.08 0.00 0.00 0.00 175.76 176.18 2jsx s VAL 72 N 1.59 4.15 0.01 0.00 1.01 -1.26 -0.08 120.40 125.82 2jsx s VAL 72 Ca -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.81 2jsx s VAL 72 Cb -0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2jsx s VAL 72 CO -0.18 -0.26 0.07 -0.44 0.00 0.00 0.00 175.10 174.30 2jsx s SER 73 N 1.57 5.60 -0.32 3.32 0.01 0.71 -4.94 113.70 119.65 2jsx s SER 73 Ca 0.00 0.11 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2jsx s SER 73 Cb -0.20 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.44 2jsx s SER 73 CO 0.04 0.26 0.42 -0.76 0.41 0.00 0.00 173.24 173.61 2jsx s LEU 74 N -1.83 4.28 0.09 2.44 1.43 -1.26 0.01 118.68 123.84 2jsx s LEU 74 Ca 0.24 0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 2jsx s LEU 74 Cb -0.12 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.57 2jsx s LEU 74 CO 0.15 -0.34 1.49 0.58 0.23 0.00 0.00 176.35 178.46 2jsx h VAL 75 N 5.51 1.28 -3.29 -1.59 2.07 -1.17 -3.40 116.25 115.66 2jsx h VAL 75 Ca -0.30 -1.08 -0.48 0.00 0.82 0.00 0.00 66.70 65.67 2jsx h VAL 75 Cb 1.14 1.40 -0.36 0.00 -1.52 0.00 0.00 31.29 31.95 2jsx h VAL 75 CO 0.71 0.34 -0.79 -0.47 0.02 0.00 0.00 177.57 177.38 2jsx s TYR 76 N -4.80 1.14 0.33 1.57 5.04 -1.25 -4.99 117.35 114.40 2jsx s TYR 76 Ca -0.13 -0.46 0.07 0.00 -2.44 0.00 0.00 57.07 54.10 2jsx s TYR 76 Cb 0.08 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.39 2jsx s TYR 76 CO 0.77 -0.37 0.45 -3.38 -1.34 0.00 0.00 175.55 171.69 2jsx s HIS 77 N 1.43 3.10 0.69 4.97 -3.43 -1.26 -4.43 115.29 116.37 2jsx s HIS 77 Ca -0.02 -0.22 -0.16 0.00 -0.80 0.00 0.00 55.06 53.86 2jsx s HIS 77 Cb -0.13 -1.96 0.02 0.00 -1.43 0.00 0.00 32.58 29.07 2jsx s HIS 77 CO -0.04 0.02 1.23 1.14 -2.00 0.00 0.00 174.74 175.10 2jsx s GLN 78 N -4.15 2.35 -0.64 -0.38 -2.07 -1.26 -4.90 119.66 108.62 2jsx s GLN 78 Ca 0.44 1.86 -0.27 0.00 -1.82 0.00 0.00 55.36 55.57 2jsx s GLN 78 Cb -0.09 -1.85 0.01 0.00 -1.09 0.00 0.00 33.01 29.99 2jsx s GLN 78 CO 0.31 -1.70 1.50 -0.65 -1.32 0.00 0.00 175.29 173.43 2jsx s GLN 79 N -3.68 3.07 0.49 9.60 -0.21 -1.26 -4.96 119.66 122.71 2jsx s GLN 79 Ca 0.77 0.27 0.04 0.00 0.02 0.00 0.00 55.36 56.45 2jsx s GLN 79 Cb -0.32 -4.22 0.02 0.00 1.00 0.00 0.00 33.01 29.49 2jsx s GLN 79 CO 0.42 -2.24 0.68 -1.21 -2.12 0.00 0.00 175.29 170.83 2jsx s GLU 80 N 6.03 2.71 -0.10 2.91 2.02 -1.26 -5.04 118.70 125.97 2jsx s GLU 80 Ca 0.51 -0.92 -0.26 0.00 0.02 0.00 0.00 54.97 54.32 2jsx s GLU 80 Cb -0.10 -2.60 -0.22 0.00 0.10 0.00 0.00 34.13 31.31 2jsx s GLU 80 CO 0.20 -0.50 0.85 1.49 0.02 0.00 0.00 175.26 177.33 2jsx h GLU 81 N 0.32 -0.02 0.00 1.61 4.81 -2.06 -3.50 114.58 115.75 2jsx h GLU 81 Ca -0.42 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.96 2jsx h GLU 81 Cb 1.29 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 2jsx h GLU 81 CO 0.50 0.74 -0.20 1.04 -0.73 0.00 0.00 179.01 180.37 2jsx n GLN 82 N -4.71 -1.10 -0.43 1.92 6.02 -1.26 -4.93 117.38 112.90 2jsx n GLN 82 Ca -0.09 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 2jsx n GLN 82 Cb 0.38 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2jsx n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jsx n GLY 83 N -1.63 1.21 0.15 1.08 0.00 -1.26 -5.01 105.19 99.73 2jsx n GLY 83 Ca 0.00 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.87 2jsx n GLY 83 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jsx h GLU 84 N 0.00 0.44 -6.68 1.61 4.11 -2.06 -3.44 114.58 108.57 2jsx h GLU 84 Ca 0.00 -0.58 -0.50 0.00 0.07 0.00 0.00 59.36 58.35 2jsx h GLU 84 Cb 0.00 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2jsx h GLU 84 CO 0.00 1.23 0.24 -1.21 0.07 0.00 0.00 179.01 179.34 2jsx s GLU 85 N -3.00 4.55 -0.27 1.06 0.41 -1.26 -5.05 118.70 115.14 2jsx s GLU 85 Ca -0.06 1.20 -0.01 0.00 -0.41 0.00 0.00 54.97 55.68 2jsx s GLU 85 Cb 0.07 -3.04 0.09 0.00 -1.78 0.00 0.00 34.13 29.47 2jsx s GLU 85 CO 0.89 0.44 0.07 0.95 -0.49 0.00 0.00 175.26 177.12 2jsx s THR 86 N -1.38 0.77 0.80 3.63 -4.23 -1.26 -5.09 115.64 108.88 2jsx s THR 86 Ca 0.43 -1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 59.71 2jsx s THR 86 Cb -0.21 -1.46 0.07 0.00 1.34 0.00 0.00 72.50 72.25 2jsx s THR 86 CO 0.25 -0.50 1.15 -2.16 -0.54 0.00 0.00 174.62 172.83 2jsx s PRO 87 N 1.70 2.09 -0.03 3.99 0.04 -1.26 -5.03 135.00 136.49 2jsx s PRO 87 Ca 0.05 0.24 -0.02 0.00 0.04 0.00 0.00 61.00 61.31 2jsx s PRO 87 Cb -0.17 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2jsx s PRO 87 CO -0.19 -1.53 -0.03 0.00 0.04 0.00 0.00 177.00 175.28 2jsx h ARG 88 N -1.01 0.00 0.00 4.56 3.08 -2.00 -3.44 114.38 115.56 2jsx h ARG 88 Ca -0.46 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.45 2jsx h ARG 88 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2jsx h ARG 88 CO 0.65 0.00 -1.49 0.43 -1.07 0.00 0.00 179.97 178.49 2jsx n SER 89 N -2.80 2.83 0.00 7.04 7.64 -1.26 -5.11 113.62 121.96 2jsx n SER 89 Ca -0.01 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2jsx n SER 89 Cb 0.05 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2jsx n SER 89 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jsx n HIS 90 N -2.87 0.00 -1.94 1.43 -0.00 -1.26 -5.04 115.22 105.54 2jsx n HIS 90 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.18 2jsx n HIS 90 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.61 2jsx n HIS 90 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2jsx s HIS 91 N -3.71 1.55 0.11 1.57 2.46 -1.26 -4.63 115.29 111.37 2jsx s HIS 91 Ca 0.00 0.93 0.00 0.00 0.47 0.00 0.00 55.06 56.46 2jsx s HIS 91 Cb 0.00 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.46 2jsx s HIS 91 CO 0.00 -2.40 0.00 0.72 -2.47 0.00 0.00 174.74 170.59 2jsx n HIS 92 N 13.24 -0.95 -0.03 3.88 -0.00 -1.26 -4.88 115.22 125.22 2jsx n HIS 92 Ca 0.24 0.48 -0.02 0.00 -0.00 0.00 0.00 57.72 58.42 2jsx n HIS 92 Cb 0.52 -0.86 -0.01 0.00 -0.00 0.00 0.00 29.99 29.65 2jsx n HIS 92 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsx n HIS 93 N -2.46 0.12 -1.77 4.41 -0.00 -1.26 -4.30 115.22 109.96 2jsx n HIS 93 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2jsx n HIS 93 Cb 0.17 -0.26 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 2jsx n HIS 93 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jsx n HIS 94 N -3.08 0.00 -1.87 4.41 -0.00 -1.26 -4.89 115.22 108.53 2jsx n HIS 94 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 2jsx n HIS 94 Cb 0.13 0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2jsx n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06