#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 1.71 -0.52 1.12 4.02 -1.26 -5.02 115.29 115.35 2jsx s HIS 2 Ca 0.00 -1.36 0.24 0.00 1.02 0.00 0.00 55.06 54.96 2jsx s HIS 2 Cb 0.00 -0.97 0.28 0.00 -1.02 0.00 0.00 32.58 30.87 2jsx s HIS 2 CO 0.00 -0.46 1.30 1.79 1.02 0.00 0.00 174.74 178.39 2jsx h THR 3 N 2.03 0.00 -3.68 1.30 1.35 -2.04 -3.42 112.91 108.46 2jsx h THR 3 Ca -0.33 -0.67 -0.65 0.00 -0.55 0.00 0.00 66.41 64.21 2jsx h THR 3 Cb 1.26 1.29 -0.39 0.00 -1.73 0.00 0.00 68.15 68.58 2jsx h THR 3 CO 0.52 0.00 -0.76 0.20 -0.25 0.00 0.00 175.52 175.24 2jsx s ASN 4 N -4.73 4.44 0.49 5.36 0.02 -1.26 -5.10 114.94 114.17 2jsx s ASN 4 Ca 0.05 -1.71 -0.21 0.00 -1.02 0.00 0.00 52.86 49.96 2jsx s ASN 4 Cb 0.12 -1.45 -0.07 0.00 0.02 0.00 0.00 41.25 39.86 2jsx s ASN 4 CO 0.73 -0.30 1.12 -1.66 0.02 0.00 0.00 177.10 177.00 2jsx s TRP 5 N 1.12 2.84 -0.02 2.20 1.48 -1.26 -5.00 118.94 120.30 2jsx s TRP 5 Ca 0.02 1.56 -0.27 0.00 -1.06 0.00 0.00 56.10 56.35 2jsx s TRP 5 Cb -0.19 -3.26 -0.04 0.00 -1.16 0.00 0.00 33.47 28.82 2jsx s TRP 5 CO -0.08 -1.34 0.84 1.14 -4.06 0.00 0.00 176.95 173.45 2jsx s GLN 6 N -3.03 4.51 0.22 3.25 -2.07 -0.70 -4.90 119.66 116.94 2jsx s GLN 6 Ca 0.68 1.16 0.11 0.00 -1.82 0.00 0.00 55.36 55.49 2jsx s GLN 6 Cb -0.24 -3.44 -0.05 0.00 -1.09 0.00 0.00 33.01 28.19 2jsx s GLN 6 CO 0.28 0.04 -0.21 0.14 -1.32 0.00 0.00 175.29 174.22 2jsx s VAL 7 N 0.77 2.30 -0.01 3.63 -7.23 -1.26 -1.64 120.40 116.96 2jsx s VAL 7 Ca 0.44 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 2jsx s VAL 7 Cb -0.20 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.61 2jsx s VAL 7 CO 0.23 -0.27 0.23 0.00 -0.31 0.00 0.00 175.10 174.99 2jsx s SER 9 N -1.27 5.34 -0.09 0.00 0.01 -0.96 -0.26 113.70 116.48 2jsx s SER 9 Ca -0.13 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.08 2jsx s SER 9 Cb -0.06 -1.38 0.01 0.00 0.21 0.00 0.00 66.02 64.80 2jsx s SER 9 CO 0.03 0.17 -0.14 -0.76 0.41 0.00 0.00 173.24 172.95 2jsx s LEU 10 N -2.35 1.70 -0.54 2.44 1.43 0.23 0.22 118.68 121.80 2jsx s LEU 10 Ca 0.28 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 2jsx s LEU 10 Cb -0.12 -0.99 0.09 0.00 0.03 0.00 0.00 46.19 45.20 2jsx s LEU 10 CO 0.21 0.03 0.61 -0.69 0.23 0.00 0.00 176.35 176.74 2jsx s VAL 11 N 0.80 4.95 -0.54 -1.59 1.01 0.39 -0.32 120.40 125.09 2jsx s VAL 11 Ca -0.11 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 2jsx s VAL 11 Cb -0.16 -4.36 0.05 0.00 0.00 0.00 0.00 36.38 31.91 2jsx s VAL 11 CO 0.02 -0.92 0.85 -0.69 0.00 0.00 0.00 175.10 174.36 2jsx s VAL 12 N 2.38 4.53 -0.34 2.92 1.01 0.11 -0.71 120.40 130.29 2jsx s VAL 12 Ca 0.10 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.91 2jsx s VAL 12 Cb -0.23 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.68 2jsx s VAL 12 CO 0.08 -1.03 0.69 -1.10 0.00 0.00 0.00 175.10 173.73 2jsx s GLN 13 N 3.56 3.77 0.25 2.72 -0.21 0.00 -0.60 119.66 129.15 2jsx s GLN 13 Ca 0.26 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.84 2jsx s GLN 13 Cb -0.15 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.05 2jsx s GLN 13 CO 0.17 -0.73 0.27 0.00 -2.12 0.00 0.00 175.29 172.88 2jsx s ALA 14 N 2.82 0.99 0.04 6.09 0.00 -0.03 -0.33 121.76 131.34 2jsx s ALA 14 Ca 0.27 -1.60 -0.31 0.00 0.00 0.00 0.00 51.96 50.33 2jsx s ALA 14 Cb -0.14 1.32 -0.07 0.00 0.00 0.00 0.00 23.12 24.23 2jsx s ALA 14 CO 0.14 -0.68 1.49 0.15 0.00 0.00 0.00 175.76 176.86 2jsx s LYS 15 N -3.85 4.26 0.39 0.00 3.01 -1.22 -4.64 119.74 117.69 2jsx s LYS 15 Ca 0.35 2.11 0.09 0.00 -1.01 0.00 0.00 55.97 57.51 2jsx s LYS 15 Cb 0.04 -3.52 0.86 0.00 -1.01 0.00 0.00 37.83 34.20 2jsx s LYS 15 CO 0.16 -0.61 1.98 0.66 0.51 0.00 0.00 175.35 178.05 2jsx h SER 16 N 7.80 0.53 1.06 2.83 4.64 -1.85 -0.89 113.55 127.68 2jsx h SER 16 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2jsx h SER 16 Cb 1.19 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2jsx h SER 16 CO 0.91 0.34 0.00 -0.62 -0.87 0.00 0.00 176.83 176.59 2jsx n GLU 17 N -4.48 0.13 -0.12 4.77 -0.58 -1.26 -2.97 120.64 116.13 2jsx n GLU 17 Ca 0.09 0.18 0.06 0.00 -0.42 0.00 0.00 57.16 57.07 2jsx n GLU 17 Cb 0.25 -1.67 0.08 0.00 -0.57 0.00 0.00 31.44 29.53 2jsx n GLU 17 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jsx n ARG 18 N -1.90 1.36 -0.31 3.49 0.63 -0.38 -4.76 116.66 114.81 2jsx n ARG 18 Ca 0.05 -2.03 -0.04 0.00 -0.92 0.00 0.00 57.85 54.91 2jsx n ARG 18 Cb 0.33 -1.20 0.08 0.00 0.45 0.00 0.00 32.46 32.12 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 1.22 -0.46 5.15 1.08 -1.34 -2.18 117.51 122.17 2jsx h ILE 19 Ca 0.00 -0.40 0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2jsx h ILE 19 Cb 0.96 -0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 2jsx h ILE 19 CO 0.00 0.21 0.26 0.28 -0.69 0.00 0.00 178.15 178.20 2jsx h SER 20 N 1.13 0.40 0.01 1.72 0.02 -1.85 0.48 113.55 115.46 2jsx h SER 20 Ca 0.30 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2jsx h SER 20 Cb -0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2jsx h SER 20 CO -0.06 0.28 -0.01 0.44 -1.14 0.00 0.00 176.83 176.34 2jsx h ASP 21 N 0.51 -0.02 -0.31 3.07 5.19 -1.83 -1.81 116.42 121.23 2jsx h ASP 21 Ca 0.19 -0.11 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 2jsx h ASP 21 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2jsx h ASP 21 CO -0.11 0.10 -0.01 0.40 -3.12 0.00 0.00 179.24 176.49 2jsx h ILE 22 N -0.13 1.26 -0.18 0.35 2.04 -1.07 -1.97 117.51 117.82 2jsx h ILE 22 Ca -0.00 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2jsx h ILE 22 Cb 0.12 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2jsx h ILE 22 CO 0.00 0.32 -0.05 -1.28 0.00 0.00 0.00 178.15 177.14 2jsx h SER 23 N 0.36 0.24 0.00 1.72 0.87 0.03 0.24 113.55 117.02 2jsx h SER 23 Ca 0.09 -0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.38 2jsx h SER 23 Cb 0.46 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2jsx h SER 23 CO 0.02 0.34 -0.88 0.74 -0.53 0.00 0.00 176.83 176.52 2jsx h THR 24 N 0.26 1.30 -0.28 2.23 2.02 -1.11 -1.67 112.91 115.66 2jsx h THR 24 Ca 0.06 -2.13 -0.02 0.00 0.77 0.00 0.00 66.41 65.08 2jsx h THR 24 Cb 0.27 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2jsx h THR 24 CO 0.01 0.66 0.08 1.56 0.37 0.00 0.00 175.52 178.20 2jsx h GLN 25 N 0.43 0.44 -0.59 6.66 4.20 -0.64 -2.38 115.11 123.23 2jsx h GLN 25 Ca -0.08 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 2jsx h GLN 25 Cb 1.51 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.20 2jsx h GLN 25 CO 0.17 0.51 0.16 -0.07 -0.67 0.00 0.00 178.83 178.94 2jsx h LEU 26 N 0.28 0.87 -0.02 1.46 3.38 -0.47 -2.18 115.31 118.64 2jsx h LEU 26 Ca 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2jsx h LEU 26 Cb 0.27 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jsx h LEU 26 CO -0.00 0.86 0.00 0.59 0.09 0.00 0.00 178.44 179.98 2jsx n ASN 27 N -4.39 0.03 0.06 -0.43 3.02 -0.64 -2.77 115.26 110.14 2jsx n ASN 27 Ca 0.03 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.21 2jsx n ASN 27 Cb 0.22 -0.51 0.30 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.51 2.76 -1.77 5.41 0.00 -0.82 -4.85 120.51 119.73 2jsx n ALA 28 Ca 0.05 -0.18 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 2jsx n ALA 28 Cb 0.25 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 2jsx n ALA 28 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jsx s PHE 29 N -3.11 3.73 -0.75 0.00 0.08 -1.12 -4.98 117.98 111.85 2jsx s PHE 29 Ca 0.09 1.80 -0.26 0.00 0.12 0.00 0.00 56.93 58.69 2jsx s PHE 29 Cb 0.14 -2.96 0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2jsx s PHE 29 CO 0.66 0.19 1.22 -1.25 -0.10 0.00 0.00 175.22 175.94 2jsx s PRO 30 N -1.85 3.21 0.00 0.24 0.04 -1.26 -2.92 135.00 132.46 2jsx s PRO 30 Ca 0.48 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2jsx s PRO 30 Cb -0.21 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2jsx s PRO 30 CO 0.27 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.64 2jsx n GLY 31 N 5.48 0.98 3.39 0.56 0.00 -1.26 -4.98 105.19 109.36 2jsx n GLY 31 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2jsx n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsx s GLU 33 N 0.06 0.14 -0.22 0.00 2.12 -0.31 -4.50 118.70 115.99 2jsx s GLU 33 Ca -0.05 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.08 2jsx s GLU 33 Cb -0.15 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 2jsx s GLU 33 CO 0.04 -0.02 1.35 0.08 -0.54 0.00 0.00 175.26 176.18 2jsx s VAL 34 N -0.05 4.10 -0.13 3.70 1.01 -1.26 -0.26 120.40 127.51 2jsx s VAL 34 Ca -0.01 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 2jsx s VAL 34 Cb -0.01 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.13 2jsx s VAL 34 CO 0.00 -0.29 0.34 0.00 0.00 0.00 0.00 175.10 175.15 2jsx n ALA 35 N 7.30 0.95 -3.69 5.51 0.00 0.16 -4.87 120.51 125.87 2jsx n ALA 35 Ca 0.15 -0.64 -0.22 0.00 0.00 0.00 0.00 53.44 52.73 2jsx n ALA 35 Cb 0.45 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.56 0.62 -0.33 0.00 1.01 -0.93 -4.98 120.40 113.22 2jsx s VAL 36 Ca -0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2jsx s VAL 36 Cb 0.07 -0.67 0.08 0.00 0.00 0.00 0.00 36.38 35.86 2jsx s VAL 36 CO 0.76 0.27 0.05 -0.94 0.00 0.00 0.00 175.10 175.24 2jsx s SER 37 N 1.31 4.91 -0.43 3.32 1.04 -1.26 -0.13 113.70 122.46 2jsx s SER 37 Ca -0.04 -1.69 0.04 0.00 0.48 0.00 0.00 55.95 54.74 2jsx s SER 37 Cb -0.14 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.39 2jsx s SER 37 CO -0.02 -0.36 0.15 -0.62 0.98 0.00 0.00 173.24 173.38 2jsx s ASP 38 N 1.32 4.55 0.17 7.02 -1.08 -0.87 -4.97 116.67 122.82 2jsx s ASP 38 Ca 0.01 -2.58 -0.11 0.00 -0.52 0.00 0.00 52.55 49.35 2jsx s ASP 38 Cb -0.20 -1.64 0.08 0.00 -1.46 0.00 0.00 42.92 39.70 2jsx s ASP 38 CO -0.04 -0.31 1.72 0.00 0.52 0.00 0.00 175.17 177.06 2jsx h ALA 39 N 7.07 0.80 -0.85 3.66 0.00 -1.95 -1.05 119.26 126.94 2jsx h ALA 39 Ca -0.06 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.87 2jsx h ALA 39 Cb 0.96 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 2jsx h ALA 39 CO 0.60 0.44 0.27 -1.00 0.00 0.00 0.00 179.25 179.56 2jsx h PRO 40 N 0.86 0.28 0.00 0.00 0.13 -1.95 -1.50 132.00 129.82 2jsx h PRO 40 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2jsx h PRO 40 Cb 0.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2jsx h PRO 40 CO -0.01 0.19 -1.21 -1.13 -0.23 0.00 0.00 178.00 175.61 2jsx n SER 41 N -5.15 0.58 -0.10 1.44 3.41 -1.22 -4.96 113.62 107.63 2jsx n SER 41 Ca 0.20 0.06 -0.01 0.00 -0.26 0.00 0.00 58.87 58.86 2jsx n SER 41 Cb 0.61 0.88 -0.00 0.00 -0.26 0.00 0.00 64.21 65.45 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 1.27 0.39 3.25 5.00 0.00 -0.46 -4.89 105.19 109.74 2jsx n GLY 42 Ca -0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 2jsx n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jsx s GLN 43 N -3.19 3.06 -0.10 1.61 -0.21 -0.80 -0.85 119.66 119.17 2jsx s GLN 43 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.57 2jsx s GLN 43 Cb 0.00 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.66 2jsx s GLN 43 CO 0.00 0.21 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.65 2jsx s LEU 44 N 0.29 2.20 -0.30 2.90 1.43 0.23 -2.06 118.68 123.37 2jsx s LEU 44 Ca -0.16 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 2jsx s LEU 44 Cb -0.17 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 2jsx s LEU 44 CO 0.08 0.17 0.36 -0.63 0.23 0.00 0.00 176.35 176.55 2jsx s ILE 45 N 0.31 5.18 -0.09 -0.59 -1.09 0.82 0.09 121.20 125.83 2jsx s ILE 45 Ca -0.17 0.36 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2jsx s ILE 45 Cb -0.17 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2jsx s ILE 45 CO 0.08 0.08 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.11 2jsx s VAL 46 N 2.04 3.70 -0.12 2.92 1.01 0.56 0.37 120.40 130.88 2jsx s VAL 46 Ca 0.13 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2jsx s VAL 46 Cb -0.16 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2jsx s VAL 46 CO 0.11 0.57 -0.05 0.54 0.00 0.00 0.00 175.10 176.27 2jsx s VAL 47 N -0.49 3.84 -0.13 2.92 0.11 0.63 0.74 120.40 128.03 2jsx s VAL 47 Ca 0.07 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2jsx s VAL 47 Cb -0.12 -2.64 0.01 0.00 -1.53 0.00 0.00 36.38 32.10 2jsx s VAL 47 CO 0.02 0.54 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.45 2jsx s VAL 48 N -0.09 1.78 -0.14 2.04 1.01 0.64 -1.16 120.40 124.48 2jsx s VAL 48 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2jsx s VAL 48 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2jsx s VAL 48 CO 0.03 0.49 0.02 -1.61 0.00 0.00 0.00 175.10 174.03 2jsx s GLU 49 N 0.98 3.51 0.28 2.72 8.01 0.12 -1.24 118.70 133.07 2jsx s GLU 49 Ca -0.05 -0.41 -0.13 0.00 0.01 0.00 0.00 54.97 54.40 2jsx s GLU 49 Cb -0.15 -2.97 0.01 0.00 -4.31 0.00 0.00 34.13 26.70 2jsx s GLU 49 CO -0.03 0.45 0.54 0.00 0.01 0.00 0.00 175.26 176.22 2jsx s ALA 50 N -0.16 -0.29 0.00 5.21 0.00 -0.65 -4.72 121.76 121.16 2jsx s ALA 50 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2jsx s ALA 50 Cb -0.12 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 2jsx s ALA 50 CO 0.02 -0.88 -0.05 -1.91 0.00 0.00 0.00 175.76 172.94 2jsx n GLU 51 N -0.43 0.07 -2.46 0.00 4.07 -1.26 -1.72 120.64 118.91 2jsx n GLU 51 Ca -0.02 0.03 -0.42 0.00 -0.06 0.00 0.00 57.16 56.69 2jsx n GLU 51 Cb 0.61 -0.44 -0.03 0.00 -0.06 0.00 0.00 31.44 31.52 2jsx n GLU 51 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2jsx s ASP 52 N -5.20 7.14 0.28 4.31 2.15 -1.26 -4.69 116.67 119.40 2jsx s ASP 52 Ca -0.04 2.02 0.01 0.00 0.43 0.00 0.00 52.55 54.97 2jsx s ASP 52 Cb 0.01 -2.59 0.42 0.00 -0.30 0.00 0.00 42.92 40.46 2jsx s ASP 52 CO 0.06 -0.40 1.77 0.28 -0.17 0.00 0.00 175.17 176.71 2jsx h SER 53 N 6.34 0.60 0.38 -0.34 0.02 -1.99 0.10 113.55 118.66 2jsx h SER 53 Ca -0.42 -0.16 -0.17 0.00 -0.84 0.00 0.00 61.79 60.19 2jsx h SER 53 Cb 1.21 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2jsx h SER 53 CO 0.78 0.74 -0.73 1.05 -1.14 0.00 0.00 176.83 177.54 2jsx h GLU 54 N 0.57 0.29 -0.38 3.45 4.11 -2.00 -1.86 114.58 118.76 2jsx h GLU 54 Ca 0.10 -0.24 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2jsx h GLU 54 Cb 0.52 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jsx h GLU 54 CO 0.03 0.89 0.25 1.15 0.07 0.00 0.00 179.01 181.40 2jsx h THR 55 N 0.19 1.11 -0.25 -1.06 2.02 -1.87 -1.00 112.91 112.05 2jsx h THR 55 Ca -0.03 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.99 2jsx h THR 55 Cb 1.29 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 2jsx h THR 55 CO 0.12 0.10 -0.05 0.25 0.37 0.00 0.00 175.52 176.31 2jsx h LEU 56 N 0.51 -0.20 -0.15 2.58 5.85 -0.60 0.51 115.31 123.81 2jsx h LEU 56 Ca 0.14 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2jsx h LEU 56 Cb -0.04 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2jsx h LEU 56 CO -0.03 -0.07 -0.02 0.40 -0.34 0.00 0.00 178.44 178.39 2jsx h ILE 57 N 0.02 0.88 -0.12 4.05 1.08 -1.00 -1.59 117.51 120.82 2jsx h ILE 57 Ca 0.12 -0.01 -0.05 0.00 -0.39 0.00 0.00 64.86 64.53 2jsx h ILE 57 Cb 0.18 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2jsx h ILE 57 CO -0.24 0.00 -0.15 1.56 -0.69 0.00 0.00 178.15 178.63 2jsx h GLN 58 N 0.03 0.18 -0.46 2.37 4.20 -0.82 -0.63 115.11 119.98 2jsx h GLN 58 Ca 0.07 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2jsx h GLN 58 Cb 0.09 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 2jsx h GLN 58 CO -0.13 0.34 -0.15 1.15 -0.67 0.00 0.00 178.83 179.37 2jsx h THR 59 N 0.17 1.27 -0.30 -0.54 2.02 -0.25 -1.50 112.91 113.78 2jsx h THR 59 Ca 0.04 -1.27 -0.10 0.00 0.77 0.00 0.00 66.41 65.85 2jsx h THR 59 Cb 0.38 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2jsx h THR 59 CO 0.02 0.44 -0.23 0.40 0.37 0.00 0.00 175.52 176.52 2jsx h ILE 60 N 0.78 1.27 -0.73 3.11 2.04 -0.31 -2.08 117.51 121.58 2jsx h ILE 60 Ca 0.12 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 2jsx h ILE 60 Cb 0.67 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 2jsx h ILE 60 CO 0.05 0.41 0.44 -0.33 0.00 0.00 0.00 178.15 178.72 2jsx h GLU 61 N 0.50 0.99 -0.74 2.37 5.08 -0.67 -0.95 114.58 121.16 2jsx h GLU 61 Ca 0.07 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2jsx h GLU 61 Cb 0.67 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2jsx h GLU 61 CO 0.05 0.70 0.45 0.77 -1.00 0.00 0.00 179.01 179.98 2jsx h SER 62 N 1.00 0.70 -0.65 1.42 0.02 -0.82 -1.13 113.55 114.10 2jsx h SER 62 Ca 0.26 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2jsx h SER 62 Cb -0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2jsx h SER 62 CO -0.05 0.47 0.36 0.58 -1.14 0.00 0.00 176.83 177.05 2jsx h VAL 63 N 0.84 1.20 0.00 2.27 2.07 -0.72 -0.92 116.25 120.99 2jsx h VAL 63 Ca 0.31 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2jsx h VAL 63 Cb 0.11 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2jsx h VAL 63 CO -0.15 0.23 0.00 0.54 0.02 0.00 0.00 177.57 178.21 2jsx n ARG 64 N -4.37 0.03 0.00 1.57 1.74 -0.42 -2.03 116.66 113.17 2jsx n ARG 64 Ca 0.06 0.20 0.15 0.00 -0.77 0.00 0.00 57.85 57.49 2jsx n ARG 64 Cb 0.10 -1.50 0.75 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.48 0.19 -4.60 0.55 5.03 -0.35 -4.72 115.26 109.89 2jsx n ASN 65 Ca 0.05 -0.52 -0.43 0.00 0.87 0.00 0.00 54.58 54.55 2jsx n ASN 65 Cb 0.19 -0.14 -0.02 0.00 -1.02 0.00 0.00 39.78 38.79 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 -2.39 3.80 0.43 2.41 1.01 -0.86 -4.89 120.40 119.91 2jsx s VAL 66 Ca 0.34 0.81 0.25 0.00 0.00 0.00 0.00 61.98 63.37 2jsx s VAL 66 Cb 0.21 -4.10 0.45 0.00 0.00 0.00 0.00 36.38 32.93 2jsx s VAL 66 CO 0.44 -0.72 1.71 1.05 0.00 0.00 0.00 175.10 177.58 2jsx h GLU 67 N 11.22 0.23 -0.62 2.72 4.11 -1.90 -1.64 114.58 128.69 2jsx h GLU 67 Ca -0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2jsx h GLU 67 Cb 1.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jsx h GLU 67 CO 1.08 0.15 0.00 0.41 0.07 0.00 0.00 179.01 180.72 2jsx n GLY 68 N -1.52 2.12 3.77 1.06 0.00 -1.26 -4.92 105.19 104.44 2jsx n GLY 68 Ca 0.30 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 2jsx n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsx s VAL 69 N -1.60 4.25 -0.15 1.61 0.11 -0.62 -3.45 120.40 120.55 2jsx s VAL 69 Ca 0.42 1.81 -0.12 0.00 -2.93 0.00 0.00 61.98 61.15 2jsx s VAL 69 Cb 0.25 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2jsx s VAL 69 CO 0.23 0.36 -0.24 0.18 -3.33 0.00 0.00 175.10 172.30 2jsx n LEU 70 N 1.13 1.79 -3.73 2.54 4.77 0.55 -4.99 117.00 119.07 2jsx n LEU 70 Ca -0.02 0.50 -0.12 0.00 -0.03 0.00 0.00 56.01 56.34 2jsx n LEU 70 Cb 0.49 -0.81 -0.13 0.00 -2.33 0.00 0.00 43.42 40.65 2jsx n LEU 70 CO 0.46 -0.40 -0.09 0.00 -1.33 0.00 0.00 177.39 176.03 2jsx s ALA 71 N -2.81 -0.63 -0.34 -1.18 0.00 -1.05 -5.03 121.76 110.72 2jsx s ALA 71 Ca -0.20 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 2jsx s ALA 71 Cb 0.03 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.55 2jsx s ALA 71 CO 0.29 -0.19 0.12 0.54 0.00 0.00 0.00 175.76 176.52 2jsx s VAL 72 N 1.06 3.91 -0.25 0.00 0.11 -1.26 -0.82 120.40 123.15 2jsx s VAL 72 Ca -0.08 -1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 57.71 2jsx s VAL 72 Cb -0.09 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.56 2jsx s VAL 72 CO -0.07 -0.16 0.68 -0.44 -3.33 0.00 0.00 175.10 171.78 2jsx s SER 73 N 1.43 6.66 -0.27 3.54 0.01 0.11 -4.89 113.70 120.28 2jsx s SER 73 Ca -0.01 0.81 -0.27 0.00 1.31 0.00 0.00 55.95 57.79 2jsx s SER 73 Cb -0.19 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2jsx s SER 73 CO 0.03 -0.40 0.93 -0.22 0.41 0.00 0.00 173.24 174.00 2jsx s LEU 74 N 2.55 4.05 -0.97 2.44 0.20 -1.26 -0.46 118.68 125.22 2jsx s LEU 74 Ca 0.29 1.04 -0.02 0.00 0.69 0.00 0.00 54.13 56.13 2jsx s LEU 74 Cb -0.15 -3.34 0.28 0.00 -0.43 0.00 0.00 46.19 42.54 2jsx s LEU 74 CO 0.08 -0.67 1.16 0.52 -0.29 0.00 0.00 176.35 177.15 2jsx n VAL 75 N 5.48 4.23 0.00 1.68 0.31 0.13 -4.58 118.33 125.59 2jsx n VAL 75 Ca 0.08 -5.57 0.00 0.00 -0.01 0.00 0.00 64.34 58.85 2jsx n VAL 75 Cb 0.47 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 2jsx n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jsx n TYR 76 N 1.61 0.00 -3.20 3.52 9.36 -1.26 -2.27 117.16 124.91 2jsx n TYR 76 Ca 0.26 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 61.23 2jsx n TYR 76 Cb 0.36 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.01 2jsx n TYR 76 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2jsx n HIS 77 N 0.00 2.20 -3.43 2.98 -0.00 -1.26 -4.97 115.22 110.74 2jsx n HIS 77 Ca 0.00 -3.92 -0.44 0.00 0.46 0.00 0.00 57.72 53.82 2jsx n HIS 77 Cb 0.00 -0.47 -0.03 0.00 -0.12 0.00 0.00 29.99 29.37 2jsx n HIS 77 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2jsx s GLN 78 N -2.43 3.48 -0.69 1.57 0.74 -1.26 -4.99 119.66 116.09 2jsx s GLN 78 Ca 0.41 -2.66 -0.18 0.00 0.05 0.00 0.00 55.36 52.98 2jsx s GLN 78 Cb 0.22 -4.29 0.13 0.00 1.10 0.00 0.00 33.01 30.18 2jsx s GLN 78 CO -0.08 -1.26 0.79 -1.14 -0.55 0.00 0.00 175.29 173.05 2jsx s GLN 79 N -0.22 3.23 -0.10 1.67 -0.44 -1.26 -5.01 119.66 117.54 2jsx s GLN 79 Ca 0.20 -1.59 -0.20 0.00 -2.50 0.00 0.00 55.36 51.28 2jsx s GLN 79 Cb -0.12 -4.40 -0.04 0.00 -1.64 0.00 0.00 33.01 26.81 2jsx s GLN 79 CO -0.08 -1.54 0.54 -1.21 0.50 0.00 0.00 175.29 173.50 2jsx s GLU 80 N 2.27 4.36 0.07 1.67 2.02 -1.26 -4.99 118.70 122.83 2jsx s GLU 80 Ca 0.16 0.57 -0.20 0.00 0.02 0.00 0.00 54.97 55.52 2jsx s GLU 80 Cb -0.19 -3.43 -0.11 0.00 0.10 0.00 0.00 34.13 30.50 2jsx s GLU 80 CO 0.01 0.16 1.48 1.49 0.02 0.00 0.00 175.26 178.41 2jsx h GLU 81 N 6.63 0.35 0.00 1.61 4.81 -2.06 -3.49 114.58 122.44 2jsx h GLU 81 Ca -0.41 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2jsx h GLU 81 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2jsx h GLU 81 CO 0.75 0.58 0.00 1.04 -0.73 0.00 0.00 179.01 180.65 2jsx n GLN 82 N -4.67 0.00 -3.07 1.92 6.02 -1.26 -4.09 117.38 112.23 2jsx n GLN 82 Ca -0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.68 2jsx n GLN 82 Cb 0.25 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.46 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 0.00 5.33 3.73 1.08 0.00 -1.26 -5.07 105.19 109.00 2jsx n GLY 83 Ca 0.00 -2.73 -0.42 0.00 0.00 0.00 0.00 46.02 42.87 2jsx n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jsx s GLU 84 N -3.18 4.15 0.00 1.61 2.02 -1.26 -4.88 118.70 117.16 2jsx s GLU 84 Ca 0.46 2.54 0.23 0.00 0.02 0.00 0.00 54.97 58.23 2jsx s GLU 84 Cb 0.25 -3.07 0.15 0.00 0.10 0.00 0.00 34.13 31.55 2jsx s GLU 84 CO -0.11 -0.67 1.19 -0.85 0.02 0.00 0.00 175.26 174.84 2jsx n GLU 85 N 3.31 1.31 -3.84 1.61 0.28 -1.26 -4.69 120.64 117.37 2jsx n GLU 85 Ca 0.13 -1.05 -0.30 0.00 -0.16 0.00 0.00 57.16 55.78 2jsx n GLU 85 Cb 0.37 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.62 2jsx n GLU 85 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2jsx s THR 86 N -2.41 1.69 0.29 3.84 -4.23 -1.26 -5.12 115.64 108.43 2jsx s THR 86 Ca 0.21 -2.30 -0.05 0.00 -1.18 0.00 0.00 61.69 58.37 2jsx s THR 86 Cb 0.19 -2.22 0.07 0.00 1.34 0.00 0.00 72.50 71.87 2jsx s THR 86 CO 0.53 -0.74 0.38 -0.81 -0.54 0.00 0.00 174.62 173.44 2jsx n PRO 87 N 4.03 -0.44 -3.44 3.99 -0.04 -1.26 -5.04 135.00 132.80 2jsx n PRO 87 Ca 0.04 -0.59 -0.38 0.00 -0.04 0.00 0.00 63.50 62.53 2jsx n PRO 87 Cb 0.38 -0.40 -0.06 0.00 -0.04 0.00 0.00 33.50 33.38 2jsx n PRO 87 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2jsx s ARG 88 N -3.84 4.07 -0.41 0.54 1.70 -1.26 -5.03 118.95 114.73 2jsx s ARG 88 Ca 0.22 0.43 -0.24 0.00 -0.47 0.00 0.00 55.73 55.67 2jsx s ARG 88 Cb -0.01 -3.29 0.02 0.00 -0.57 0.00 0.00 34.95 31.10 2jsx s ARG 88 CO 0.15 0.53 0.83 0.45 -1.08 0.00 0.00 175.30 176.18 2jsx s SER 89 N -0.56 6.51 -0.39 -2.89 0.15 -1.26 -4.86 113.70 110.40 2jsx s SER 89 Ca 0.24 0.20 0.09 0.00 0.70 0.00 0.00 55.95 57.18 2jsx s SER 89 Cb -0.16 -2.41 0.44 0.00 -1.71 0.00 0.00 66.02 62.17 2jsx s SER 89 CO 0.12 -0.86 1.09 1.57 1.20 0.00 0.00 173.24 176.36 2jsx n HIS 90 N 6.69 2.77 0.20 3.44 -0.00 -1.26 -4.82 115.22 122.24 2jsx n HIS 90 Ca 0.04 -2.89 0.04 0.00 -0.00 0.00 0.00 57.72 54.90 2jsx n HIS 90 Cb 0.48 -0.18 0.42 0.00 -0.00 0.00 0.00 29.99 30.71 2jsx n HIS 90 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2jsx h HIS 91 N 2.62 0.00 -3.12 1.57 2.07 -2.05 -3.39 115.15 112.85 2jsx h HIS 91 Ca 0.21 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 57.11 2jsx h HIS 91 Cb 1.07 0.00 -0.36 0.00 2.57 0.00 0.00 27.41 30.69 2jsx h HIS 91 CO 0.74 0.29 -0.84 -1.58 -3.07 0.00 0.00 177.93 173.48 2jsx s HIS 92 N -4.38 2.27 -0.71 6.12 5.65 -1.26 -5.06 115.29 117.92 2jsx s HIS 92 Ca -0.03 -1.28 -0.26 0.00 0.25 0.00 0.00 55.06 53.74 2jsx s HIS 92 Cb 0.15 -1.64 -0.02 0.00 -1.18 0.00 0.00 32.58 29.89 2jsx s HIS 92 CO 0.71 -0.68 1.78 -1.58 -0.65 0.00 0.00 174.74 174.32 2jsx s HIS 93 N 1.41 1.81 0.05 3.88 2.46 -1.26 -4.95 115.29 118.70 2jsx s HIS 93 Ca 0.04 0.56 -0.10 0.00 0.47 0.00 0.00 55.06 56.04 2jsx s HIS 93 Cb -0.13 -4.18 -0.06 0.00 -0.13 0.00 0.00 32.58 28.08 2jsx s HIS 93 CO -0.10 -2.15 0.37 -3.38 -2.47 0.00 0.00 174.74 167.01 2jsx s HIS 94 N 8.64 3.60 -2.93 3.88 -3.43 -1.26 -5.24 115.29 118.55 2jsx s HIS 94 Ca 0.62 0.77 0.25 0.00 -0.80 0.00 0.00 55.06 55.90 2jsx s HIS 94 Cb -0.10 -2.14 0.30 0.00 -1.43 0.00 0.00 32.58 29.21 2jsx s HIS 94 CO 0.14 0.55 1.32 0.72 -2.00 0.00 0.00 174.74 175.48