#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 0.06 3.17 -0.00 -1.26 -4.85 115.22 112.33 2jsx n HIS 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2jsx n HIS 2 Cb 0.00 0.13 0.20 0.00 -0.00 0.00 0.00 29.99 30.32 2jsx n HIS 2 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 2jsx h THR 3 N 0.00 1.29 -3.13 1.59 2.02 -2.08 -3.44 112.91 109.16 2jsx h THR 3 Ca 0.00 -1.43 -0.13 0.00 0.77 0.00 0.00 66.41 65.62 2jsx h THR 3 Cb 0.00 1.55 -0.22 0.00 -1.74 0.00 0.00 68.15 67.75 2jsx h THR 3 CO 0.00 0.44 -0.35 0.21 0.37 0.00 0.00 175.52 176.19 2jsx s ASN 4 N -6.86 -0.18 0.00 4.18 3.84 -1.26 -5.16 114.94 109.51 2jsx s ASN 4 Ca -0.06 0.16 0.00 0.00 0.21 0.00 0.00 52.86 53.18 2jsx s ASN 4 Cb 0.13 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 41.20 2jsx s ASN 4 CO 0.78 -0.33 0.00 -2.67 -2.79 0.00 0.00 177.10 172.09 2jsx n TRP 5 N 1.77 0.00 -2.91 0.43 4.27 -1.26 -1.36 117.44 118.38 2jsx n TRP 5 Ca -0.19 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.00 2jsx n TRP 5 Cb 0.56 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.47 2jsx n TRP 5 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2jsx s GLN 6 N -2.00 4.16 -0.29 -2.67 -0.21 -0.20 -4.95 119.66 113.50 2jsx s GLN 6 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.27 2jsx s GLN 6 Cb 0.00 -3.65 0.09 0.00 1.00 0.00 0.00 33.01 30.45 2jsx s GLN 6 CO 0.00 -0.53 0.06 0.14 -2.12 0.00 0.00 175.29 172.84 2jsx s VAL 7 N 2.83 1.20 -0.12 1.09 -7.23 -1.26 -0.80 120.40 116.11 2jsx s VAL 7 Ca 0.34 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 2jsx s VAL 7 Cb -0.15 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 2jsx s VAL 7 CO 0.08 -0.53 -0.09 0.00 -0.31 0.00 0.00 175.10 174.25 2jsx s SER 9 N 0.03 7.32 -0.07 0.00 0.15 -1.26 -0.59 113.70 119.28 2jsx s SER 9 Ca -0.02 1.64 0.04 0.00 0.70 0.00 0.00 55.95 58.31 2jsx s SER 9 Cb -0.14 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2jsx s SER 9 CO 0.04 0.13 -0.18 -0.76 1.20 0.00 0.00 173.24 173.66 2jsx s LEU 10 N -1.47 1.90 -0.54 3.45 1.43 0.14 -0.94 118.68 122.64 2jsx s LEU 10 Ca 0.40 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 2jsx s LEU 10 Cb -0.21 -1.11 0.10 0.00 0.03 0.00 0.00 46.19 45.00 2jsx s LEU 10 CO 0.25 0.12 0.60 -0.69 0.23 0.00 0.00 176.35 176.86 2jsx s VAL 11 N 0.34 4.98 -0.51 -1.59 1.01 0.08 -1.07 120.40 123.65 2jsx s VAL 11 Ca -0.13 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2jsx s VAL 11 Cb -0.15 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.91 2jsx s VAL 11 CO 0.05 -0.92 0.78 -0.69 0.00 0.00 0.00 175.10 174.32 2jsx s VAL 12 N 2.27 4.63 -0.31 2.92 1.01 0.68 -0.91 120.40 130.69 2jsx s VAL 12 Ca 0.09 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2jsx s VAL 12 Cb -0.24 -4.39 -0.00 0.00 0.00 0.00 0.00 36.38 31.74 2jsx s VAL 12 CO 0.07 -0.90 0.70 -1.58 0.00 0.00 0.00 175.10 173.39 2jsx s GLN 13 N 3.30 3.90 0.26 2.72 -0.44 0.84 -0.89 119.66 129.35 2jsx s GLN 13 Ca 0.24 0.40 0.02 0.00 -2.50 0.00 0.00 55.36 53.52 2jsx s GLN 13 Cb -0.15 -3.74 -0.03 0.00 -1.64 0.00 0.00 33.01 27.45 2jsx s GLN 13 CO 0.17 -0.64 0.21 0.00 0.50 0.00 0.00 175.29 175.54 2jsx s ALA 14 N 2.77 1.39 -0.18 1.58 0.00 -0.11 -0.68 121.76 126.55 2jsx s ALA 14 Ca 0.28 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.12 2jsx s ALA 14 Cb -0.14 1.41 -0.07 0.00 0.00 0.00 0.00 23.12 24.31 2jsx s ALA 14 CO 0.12 -0.64 2.15 1.63 0.00 0.00 0.00 175.76 179.02 2jsx n LYS 15 N -0.43 2.03 0.02 0.00 4.01 -0.23 -4.70 118.16 118.86 2jsx n LYS 15 Ca 0.04 0.62 0.06 0.00 -0.51 0.00 0.00 58.31 58.52 2jsx n LYS 15 Cb 0.64 -3.04 0.47 0.00 -0.51 0.00 0.00 35.03 32.59 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 13.39 0.38 0.90 4.39 0.02 -1.85 -0.26 113.55 130.51 2jsx h SER 16 Ca -0.41 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2jsx h SER 16 Cb 1.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2jsx h SER 16 CO 0.96 0.27 0.00 -1.84 -1.14 0.00 0.00 176.83 175.08 2jsx n GLU 17 N -4.48 0.08 0.00 3.45 0.28 -1.26 -3.34 120.64 115.36 2jsx n GLU 17 Ca 0.03 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2jsx n GLU 17 Cb 0.12 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.37 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 -1.77 2.68 -0.32 3.44 0.63 -0.15 -4.80 116.66 116.37 2jsx n ARG 18 Ca 0.05 -1.39 0.08 0.00 -0.92 0.00 0.00 57.85 55.67 2jsx n ARG 18 Cb 0.29 -0.95 0.25 0.00 0.45 0.00 0.00 32.46 32.50 2jsx n ARG 18 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jsx h ILE 19 N 0.30 0.78 -0.78 5.15 1.08 -1.45 -1.43 117.51 121.16 2jsx h ILE 19 Ca 0.00 -0.26 -0.05 0.00 -0.39 0.00 0.00 64.86 64.16 2jsx h ILE 19 Cb 0.55 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 2jsx h ILE 19 CO 0.00 0.14 0.29 0.28 -0.69 0.00 0.00 178.15 178.17 2jsx h SER 20 N 0.75 1.10 -0.18 1.72 0.02 -1.87 0.12 113.55 115.21 2jsx h SER 20 Ca 0.49 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 2jsx h SER 20 Cb 0.65 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2jsx h SER 20 CO -0.34 0.98 -0.53 0.44 -1.14 0.00 0.00 176.83 176.25 2jsx h ASP 21 N 1.15 0.78 -0.63 3.07 3.32 -1.73 -3.12 116.42 119.27 2jsx h ASP 21 Ca 0.26 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 2jsx h ASP 21 Cb 0.24 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2jsx h ASP 21 CO -0.02 1.23 0.28 0.40 -1.72 0.00 0.00 179.24 179.41 2jsx h ILE 22 N 0.37 1.22 -0.91 0.35 2.04 -0.89 -1.69 117.51 118.00 2jsx h ILE 22 Ca -0.02 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.22 2jsx h ILE 22 Cb 1.15 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 2jsx h ILE 22 CO 0.11 0.27 0.59 -1.28 0.00 0.00 0.00 178.15 177.85 2jsx h SER 23 N 0.87 0.97 0.30 1.72 0.87 -0.78 0.24 113.55 117.74 2jsx h SER 23 Ca 0.21 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.55 2jsx h SER 23 Cb 0.16 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2jsx h SER 23 CO -0.02 0.66 -0.86 0.74 -0.53 0.00 0.00 176.83 176.81 2jsx h THR 24 N 1.12 1.39 -0.31 2.23 2.02 -1.37 -0.13 112.91 117.86 2jsx h THR 24 Ca 0.36 -2.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.16 2jsx h THR 24 Cb 0.04 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2jsx h THR 24 CO -0.11 0.70 0.01 1.56 0.37 0.00 0.00 175.52 178.04 2jsx h GLN 25 N 0.25 0.55 -0.22 6.66 4.20 -0.60 -2.52 115.11 123.42 2jsx h GLN 25 Ca -0.06 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.36 2jsx h GLN 25 Cb 1.48 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 2jsx h GLN 25 CO 0.15 0.68 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.55 2jsx h LEU 26 N 0.35 0.52 -0.60 1.46 3.38 -0.37 -2.15 115.31 117.89 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 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jsx h LEU 26 CO 0.01 0.85 0.00 -3.20 0.09 0.00 0.00 178.44 176.20 2jsx n ASN 27 N -4.04 0.53 -0.82 -0.43 2.85 -0.08 -2.01 115.26 111.26 2jsx n ASN 27 Ca -0.01 0.64 0.11 0.00 -0.11 0.00 0.00 54.58 55.20 2jsx n ASN 27 Cb 0.49 -0.75 0.29 0.00 1.24 0.00 0.00 39.78 41.06 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 -1.72 2.47 -2.21 5.20 0.00 -0.81 -4.76 120.51 118.69 2jsx n ALA 28 Ca 0.02 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.41 2jsx n ALA 28 Cb 0.20 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.66 3.42 -0.51 0.00 0.40 -0.85 -4.96 117.98 113.82 2jsx s PHE 29 Ca 0.34 1.15 -0.26 0.00 -0.60 0.00 0.00 56.93 57.56 2jsx s PHE 29 Cb 0.19 -2.47 -0.07 0.00 0.51 0.00 0.00 43.02 41.19 2jsx s PHE 29 CO 0.28 0.17 2.36 -2.14 0.70 0.00 0.00 175.22 176.59 2jsx s PRO 30 N -2.81 2.13 0.00 0.24 0.02 -1.26 -1.53 135.00 131.80 2jsx s PRO 30 Ca 0.51 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2jsx s PRO 30 Cb -0.11 -4.57 0.00 0.00 0.02 0.00 0.00 34.50 29.84 2jsx s PRO 30 CO 0.19 -3.25 0.00 0.41 -0.33 0.00 0.00 177.00 174.02 2jsx n GLY 31 N 5.99 0.58 3.31 0.52 0.00 -1.26 -4.76 105.19 109.56 2jsx n GLY 31 Ca 0.35 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 1.45 1.93 -0.20 0.00 2.12 -0.84 -3.94 118.70 119.21 2jsx s GLU 33 Ca -0.00 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.20 2jsx s GLU 33 Cb -0.19 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2jsx s GLU 33 CO 0.03 0.49 1.03 0.08 -0.54 0.00 0.00 175.26 176.35 2jsx s VAL 34 N -0.52 4.71 -0.18 3.70 1.01 -1.26 -0.32 120.40 127.53 2jsx s VAL 34 Ca 0.08 2.02 -0.10 0.00 0.00 0.00 0.00 61.98 63.98 2jsx s VAL 34 Cb -0.09 -4.30 -0.21 0.00 0.00 0.00 0.00 36.38 31.77 2jsx s VAL 34 CO -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 175.10 175.10 2jsx n ALA 35 N 6.01 1.00 -3.58 5.51 0.00 0.10 -4.92 120.51 124.63 2jsx n ALA 35 Ca 0.11 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.63 2jsx n ALA 35 Cb 0.47 -0.46 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.50 0.61 -0.12 0.00 1.01 -1.18 -5.01 120.40 113.20 2jsx s VAL 36 Ca -0.28 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2jsx s VAL 36 Cb 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 2jsx s VAL 36 CO 0.66 0.24 -0.15 -0.44 0.00 0.00 0.00 175.10 175.41 2jsx s SER 37 N 0.83 3.81 -0.41 3.32 0.01 -1.26 -0.38 113.70 119.62 2jsx s SER 37 Ca -0.12 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2jsx s SER 37 Cb -0.14 -1.54 0.14 0.00 0.21 0.00 0.00 66.02 64.68 2jsx s SER 37 CO 0.01 0.17 0.24 -0.62 0.41 0.00 0.00 173.24 173.44 2jsx s ASP 38 N 0.31 3.30 0.24 2.44 2.15 0.13 -4.99 116.67 120.26 2jsx s ASP 38 Ca -0.12 -2.50 -0.06 0.00 0.43 0.00 0.00 52.55 50.30 2jsx s ASP 38 Cb -0.16 -0.77 0.27 0.00 -0.30 0.00 0.00 42.92 41.96 2jsx s ASP 38 CO 0.06 -0.28 1.89 0.00 -0.17 0.00 0.00 175.17 176.68 2jsx h ALA 39 N 6.77 1.19 -0.71 3.66 0.00 -1.91 -1.05 119.26 127.20 2jsx h ALA 39 Ca 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2jsx h ALA 39 Cb 0.94 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2jsx h ALA 39 CO 0.40 0.46 0.25 -1.00 0.00 0.00 0.00 179.25 179.36 2jsx h PRO 40 N 1.15 0.38 -0.01 0.00 0.13 -1.94 -2.14 132.00 129.57 2jsx h PRO 40 Ca 0.36 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 2jsx h PRO 40 Cb -0.02 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.02 2jsx h PRO 40 CO -0.11 0.25 -0.30 0.43 -0.23 0.00 0.00 178.00 178.04 2jsx n SER 41 N -5.03 1.52 -0.76 1.44 7.64 -1.15 -4.93 113.62 112.35 2jsx n SER 41 Ca 0.13 -1.22 -0.08 0.00 1.01 0.00 0.00 58.87 58.71 2jsx n SER 41 Cb 0.39 0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 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 1.36 0.41 3.31 0.23 0.00 -0.65 -4.89 105.19 104.95 2jsx n GLY 42 Ca 0.12 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.71 3.26 -0.14 1.61 -0.21 -0.49 -0.93 119.66 119.05 2jsx s GLN 43 Ca 0.00 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.65 2jsx s GLN 43 Cb 0.00 -2.53 0.01 0.00 1.00 0.00 0.00 33.01 31.49 2jsx s GLN 43 CO 0.00 0.18 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.62 2jsx s LEU 44 N 0.41 2.08 -0.29 2.90 1.43 -0.07 -0.69 118.68 124.44 2jsx s LEU 44 Ca -0.13 -0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 52.20 2jsx s LEU 44 Cb -0.16 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 2jsx s LEU 44 CO 0.06 0.08 0.51 -0.63 0.23 0.00 0.00 176.35 176.60 2jsx s ILE 45 N 0.82 5.05 -0.10 -0.59 -1.09 0.49 -0.23 121.20 125.54 2jsx s ILE 45 Ca -0.07 0.68 0.04 0.00 -2.23 0.00 0.00 60.65 59.06 2jsx s ILE 45 Cb -0.15 -3.88 -0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2jsx s ILE 45 CO -0.02 -0.03 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.74 2jsx s VAL 46 N 2.35 2.14 -0.32 2.92 1.01 -0.23 0.03 120.40 128.30 2jsx s VAL 46 Ca 0.20 -0.99 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 2jsx s VAL 46 Cb -0.15 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2jsx s VAL 46 CO 0.11 0.56 0.17 -0.69 0.00 0.00 0.00 175.10 175.24 2jsx s VAL 47 N 0.34 4.65 -0.26 2.92 1.01 0.56 0.28 120.40 129.90 2jsx s VAL 47 Ca -0.18 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 2jsx s VAL 47 Cb -0.18 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2jsx s VAL 47 CO 0.09 0.02 0.16 -0.69 0.00 0.00 0.00 175.10 174.68 2jsx s VAL 48 N 1.61 5.20 -0.12 2.92 1.01 0.25 -1.99 120.40 129.28 2jsx s VAL 48 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2jsx s VAL 48 Cb -0.17 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2jsx s VAL 48 CO 0.07 0.30 -0.01 -1.83 0.00 0.00 0.00 175.10 173.63 2jsx s GLU 49 N 1.45 3.38 0.20 2.72 -1.05 -0.39 -1.15 118.70 123.86 2jsx s GLU 49 Ca 0.07 -0.44 -0.22 0.00 -0.15 0.00 0.00 54.97 54.23 2jsx s GLU 49 Cb -0.15 -2.89 0.05 0.00 -0.44 0.00 0.00 34.13 30.70 2jsx s GLU 49 CO 0.08 0.47 0.63 0.00 0.95 0.00 0.00 175.26 177.38 2jsx s ALA 50 N -0.25 -1.43 -0.17 -0.84 0.00 0.02 -4.68 121.76 114.40 2jsx s ALA 50 Ca 0.05 0.20 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2jsx s ALA 50 Cb -0.12 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2jsx s ALA 50 CO 0.02 -0.85 -0.21 -1.91 0.00 0.00 0.00 175.76 172.81 2jsx n GLU 51 N -0.40 0.50 -2.98 0.00 4.07 -1.26 -1.03 120.64 119.55 2jsx n GLU 51 Ca -0.13 0.40 -0.35 0.00 -0.06 0.00 0.00 57.16 57.03 2jsx n GLU 51 Cb 0.63 -1.59 -0.06 0.00 -0.06 0.00 0.00 31.44 30.36 2jsx n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jsx s ASP 52 N -6.07 7.01 0.07 4.31 1.01 -1.26 -4.61 116.67 117.14 2jsx s ASP 52 Ca -0.23 1.53 -0.19 0.00 0.71 0.00 0.00 52.55 54.37 2jsx s ASP 52 Cb 0.04 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.40 2jsx s ASP 52 CO 0.36 -0.15 1.47 0.77 0.21 0.00 0.00 175.17 177.83 2jsx h SER 53 N 2.68 0.41 0.20 0.27 4.64 -1.99 -1.27 113.55 118.49 2jsx h SER 53 Ca -0.48 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.32 2jsx h SER 53 Cb 1.18 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2jsx h SER 53 CO 0.64 0.67 -0.66 1.05 -0.87 0.00 0.00 176.83 177.66 2jsx h GLU 54 N 0.14 0.43 -0.49 4.77 9.09 -1.99 -1.62 114.58 124.92 2jsx h GLU 54 Ca 0.06 -0.32 -0.03 0.00 0.05 0.00 0.00 59.36 59.12 2jsx h GLU 54 Cb 0.48 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.61 2jsx h GLU 54 CO 0.02 0.94 0.18 1.15 0.05 0.00 0.00 179.01 181.35 2jsx h THR 55 N 0.31 1.19 0.07 -1.06 2.02 -1.95 0.27 112.91 113.76 2jsx h THR 55 Ca -0.02 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2jsx h THR 55 Cb 1.21 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2jsx h THR 55 CO 0.11 0.23 -0.03 0.25 0.37 0.00 0.00 175.52 176.45 2jsx h LEU 56 N 0.69 -0.08 -0.23 2.58 5.85 -0.78 -2.29 115.31 121.05 2jsx h LEU 56 Ca 0.17 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2jsx h LEU 56 Cb 0.16 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2jsx h LEU 56 CO -0.01 0.10 0.08 0.40 -0.34 0.00 0.00 178.44 178.66 2jsx h ILE 57 N -0.26 0.94 -0.53 4.05 2.04 -0.57 -0.74 117.51 122.44 2jsx h ILE 57 Ca -0.01 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.89 2jsx h ILE 57 Cb 0.23 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 2jsx h ILE 57 CO 0.02 0.03 0.06 1.56 0.00 0.00 0.00 178.15 179.82 2jsx h GLN 58 N 0.18 0.18 -0.45 2.37 4.20 -0.45 0.31 115.11 121.46 2jsx h GLN 58 Ca 0.10 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2jsx h GLN 58 Cb 0.07 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2jsx h GLN 58 CO -0.11 0.12 0.09 1.15 -0.67 0.00 0.00 178.83 179.41 2jsx h THR 59 N 0.19 1.24 -0.72 -0.54 2.02 -0.99 -1.36 112.91 112.76 2jsx h THR 59 Ca 0.27 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 2jsx h THR 59 Cb 0.39 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2jsx h THR 59 CO -0.39 0.30 0.28 0.40 0.37 0.00 0.00 175.52 176.48 2jsx h ILE 60 N 0.60 1.25 -0.81 3.11 2.04 -0.05 -1.10 117.51 122.54 2jsx h ILE 60 Ca 0.14 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 2jsx h ILE 60 Cb 0.36 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2jsx h ILE 60 CO 0.01 0.31 0.38 -0.33 0.00 0.00 0.00 178.15 178.53 2jsx h GLU 61 N 1.04 1.16 -0.56 2.37 4.39 -0.13 -1.72 114.58 121.14 2jsx h GLU 61 Ca 0.24 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2jsx h GLU 61 Cb 0.21 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2jsx h GLU 61 CO -0.02 0.89 0.05 1.03 -1.16 0.00 0.00 179.01 179.80 2jsx h SER 62 N 1.15 0.88 -0.91 1.42 0.87 -0.49 -2.29 113.55 114.18 2jsx h SER 62 Ca 0.28 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2jsx h SER 62 Cb 0.12 -0.23 -0.06 0.00 -0.44 0.00 0.00 62.40 61.79 2jsx h SER 62 CO -0.03 0.92 0.59 0.58 -0.53 0.00 0.00 176.83 178.35 2jsx h VAL 63 N 0.86 1.11 0.00 2.23 2.07 -0.38 -1.24 116.25 120.89 2jsx h VAL 63 Ca 0.17 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2jsx h VAL 63 Cb 0.44 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2jsx h VAL 63 CO 0.02 0.20 -0.08 0.03 0.02 0.00 0.00 177.57 177.76 2jsx h ARG 64 N 1.10 0.00 -0.03 1.57 3.08 -0.78 -2.58 114.38 116.74 2jsx h ARG 64 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2jsx h ARG 64 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jsx h ARG 64 CO -0.15 0.08 0.00 0.09 -1.07 0.00 0.00 179.97 178.93 2jsx n ASN 65 N -3.39 0.58 -4.74 7.04 3.02 -0.47 -4.85 115.26 112.45 2jsx n ASN 65 Ca -0.01 -1.34 -0.41 0.00 -0.03 0.00 0.00 54.58 52.79 2jsx n ASN 65 Cb 0.24 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.35 2jsx n ASN 65 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jsx s VAL 66 N -1.96 4.08 0.19 2.41 1.01 -0.98 -4.95 120.40 120.20 2jsx s VAL 66 Ca 0.37 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 64.01 2jsx s VAL 66 Cb 0.18 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.46 2jsx s VAL 66 CO 0.30 0.37 1.56 -0.08 0.00 0.00 0.00 175.10 177.25 2jsx h GLU 67 N 4.83 -0.12 0.00 2.72 4.81 -1.91 -1.41 114.58 123.50 2jsx h GLU 67 Ca -0.44 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2jsx h GLU 67 Cb 1.21 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2jsx h GLU 67 CO 0.70 -0.08 0.00 0.41 -0.73 0.00 0.00 179.01 179.31 2jsx n GLY 68 N -1.41 -1.09 3.84 1.92 0.00 -1.26 -4.79 105.19 102.39 2jsx n GLY 68 Ca 0.05 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2jsx n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jsx s VAL 69 N -2.74 4.77 -0.10 1.61 1.01 -0.53 -1.07 120.40 123.36 2jsx s VAL 69 Ca 0.16 0.96 -0.11 0.00 0.00 0.00 0.00 61.98 63.00 2jsx s VAL 69 Cb 0.14 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2jsx s VAL 69 CO 0.35 0.24 -0.23 0.18 0.00 0.00 0.00 175.10 175.64 2jsx n LEU 70 N 0.80 1.59 -3.80 3.92 4.77 0.15 -4.86 117.00 119.57 2jsx n LEU 70 Ca -0.05 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2jsx n LEU 70 Cb 0.52 -0.59 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 2jsx n LEU 70 CO 0.43 -0.32 -0.32 0.00 -1.33 0.00 0.00 177.39 175.85 2jsx s ALA 71 N -2.55 -0.04 -0.35 -1.18 0.00 -0.05 -5.02 121.76 112.57 2jsx s ALA 71 Ca -0.20 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 2jsx s ALA 71 Cb 0.04 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.98 2jsx s ALA 71 CO 0.28 -0.09 0.14 0.08 0.00 0.00 0.00 175.76 176.17 2jsx s VAL 72 N 0.73 3.89 -0.15 0.00 1.01 -1.26 -0.11 120.40 124.51 2jsx s VAL 72 Ca -0.06 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 2jsx s VAL 72 Cb -0.08 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2jsx s VAL 72 CO -0.02 -0.24 0.48 -0.44 0.00 0.00 0.00 175.10 174.87 2jsx s SER 73 N 1.52 6.63 -0.42 3.32 0.01 -0.09 -4.95 113.70 119.72 2jsx s SER 73 Ca -0.00 0.75 -0.21 0.00 1.31 0.00 0.00 55.95 57.79 2jsx s SER 73 Cb -0.20 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2jsx s SER 73 CO 0.03 -0.05 0.65 -0.22 0.41 0.00 0.00 173.24 174.06 2jsx s LEU 74 N 0.96 4.42 -0.04 2.44 0.20 -1.26 -0.74 118.68 124.66 2jsx s LEU 74 Ca 0.25 -0.21 -0.23 0.00 0.69 0.00 0.00 54.13 54.63 2jsx s LEU 74 Cb -0.15 -2.76 -0.17 0.00 -0.43 0.00 0.00 46.19 42.68 2jsx s LEU 74 CO 0.10 -0.75 0.99 0.58 -0.29 0.00 0.00 176.35 176.98 2jsx h VAL 75 N 5.84 0.93 -3.63 1.68 2.07 -1.41 -3.38 116.25 118.35 2jsx h VAL 75 Ca -0.26 -1.08 -0.79 0.00 0.82 0.00 0.00 66.70 65.39 2jsx h VAL 75 Cb 1.10 1.52 -0.27 0.00 -1.52 0.00 0.00 31.29 32.12 2jsx h VAL 75 CO 0.89 0.22 0.34 -0.47 0.02 0.00 0.00 177.57 178.57 2jsx s TYR 76 N -3.72 4.06 -0.24 1.57 5.04 -1.24 -4.91 117.35 117.91 2jsx s TYR 76 Ca -0.14 -2.41 -0.01 0.00 -2.44 0.00 0.00 57.07 52.07 2jsx s TYR 76 Cb 0.01 -3.84 0.07 0.00 0.35 0.00 0.00 41.96 38.55 2jsx s TYR 76 CO 0.52 -0.98 0.04 -1.58 -1.34 0.00 0.00 175.55 172.22 2jsx s HIS 77 N -0.64 1.54 -0.24 4.97 2.46 -1.26 -4.84 115.29 117.27 2jsx s HIS 77 Ca 0.26 -1.35 0.02 0.00 0.47 0.00 0.00 55.06 54.46 2jsx s HIS 77 Cb -0.10 -1.38 0.06 0.00 -0.13 0.00 0.00 32.58 31.03 2jsx s HIS 77 CO -0.08 -0.74 -0.08 -0.65 -2.47 0.00 0.00 174.74 170.72 2jsx s GLN 78 N 1.68 1.91 -0.04 2.88 -1.52 -1.26 -5.01 119.66 118.30 2jsx s GLN 78 Ca 0.02 -1.14 -0.03 0.00 -1.95 0.00 0.00 55.36 52.26 2jsx s GLN 78 Cb -0.17 -2.72 -0.01 0.00 -0.22 0.00 0.00 33.01 29.89 2jsx s GLN 78 CO -0.14 -0.58 -0.05 0.94 -0.25 0.00 0.00 175.29 175.21 2jsx n GLN 79 N 4.57 0.12 -3.64 2.91 7.27 -1.26 -5.05 117.38 122.30 2jsx n GLN 79 Ca -0.13 0.31 -0.10 0.00 0.07 0.00 0.00 57.00 57.15 2jsx n GLN 79 Cb 0.43 -0.99 -0.07 0.00 2.41 0.00 0.00 30.24 32.02 2jsx n GLN 79 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jsx s GLU 80 N -1.34 0.60 -0.01 3.69 2.56 -1.26 -5.07 118.70 117.87 2jsx s GLU 80 Ca -0.04 0.75 -0.09 0.00 0.00 0.00 0.00 54.97 55.59 2jsx s GLU 80 Cb 0.01 0.27 -0.31 0.00 2.00 0.00 0.00 34.13 36.10 2jsx s GLU 80 CO 0.06 -0.08 0.83 0.93 -0.56 0.00 0.00 175.26 176.45 2jsx h GLU 81 N 4.73 0.38 -5.14 4.30 5.08 -1.96 -3.47 114.58 118.50 2jsx h GLU 81 Ca -0.29 -0.65 -0.62 0.00 -1.00 0.00 0.00 59.36 56.81 2jsx h GLU 81 Cb 1.18 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 30.54 2jsx h GLU 81 CO 0.10 1.28 -0.52 1.14 -1.00 0.00 0.00 179.01 180.01 2jsx s GLN 82 N -2.60 2.05 0.00 2.33 -2.07 -1.26 -4.65 119.66 113.46 2jsx s GLN 82 Ca -0.11 -2.28 0.00 0.00 -1.82 0.00 0.00 55.36 51.15 2jsx s GLN 82 Cb 0.06 -1.09 0.00 0.00 -1.09 0.00 0.00 33.01 30.89 2jsx s GLN 82 CO 0.88 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.85 2jsx n GLY 83 N -1.08 2.04 0.06 2.60 0.00 -1.26 -4.63 105.19 102.92 2jsx n GLY 83 Ca -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 2jsx n GLY 83 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jsx h GLU 84 N 0.00 0.00 -6.36 1.61 4.81 -1.91 -3.46 114.58 109.27 2jsx h GLU 84 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 2jsx h GLU 84 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2jsx h GLU 84 CO 0.00 0.03 -0.20 -1.21 -0.73 0.00 0.00 179.01 176.90 2jsx s GLU 85 N -1.83 3.67 -0.43 1.92 0.41 -1.26 -5.06 118.70 116.13 2jsx s GLU 85 Ca -0.06 0.04 0.05 0.00 -0.41 0.00 0.00 54.97 54.58 2jsx s GLU 85 Cb 0.01 -2.72 0.17 0.00 -1.78 0.00 0.00 34.13 29.81 2jsx s GLU 85 CO 0.10 0.33 0.47 0.99 -0.49 0.00 0.00 175.26 176.66 2jsx s THR 86 N -1.86 -0.29 0.04 3.63 2.01 -1.26 -4.25 115.64 113.65 2jsx s THR 86 Ca 0.44 -1.56 -0.18 0.00 0.31 0.00 0.00 61.69 60.70 2jsx s THR 86 Cb -0.11 -0.68 -0.19 0.00 0.01 0.00 0.00 72.50 71.53 2jsx s THR 86 CO 0.25 -0.65 1.21 -0.65 -0.69 0.00 0.00 174.62 174.10 2jsx h PRO 87 N 5.99 0.51 -2.61 4.92 0.11 -1.97 -3.47 132.00 135.47 2jsx h PRO 87 Ca 0.13 -0.43 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 2jsx h PRO 87 Cb 1.02 0.09 -0.22 0.00 0.11 0.00 0.00 31.00 32.00 2jsx h PRO 87 CO 0.20 1.06 -0.14 -0.98 -0.21 0.00 0.00 178.00 177.94 2jsx s ARG 88 N -3.62 0.64 -0.67 1.05 1.70 -1.26 -5.10 118.95 111.69 2jsx s ARG 88 Ca -0.13 0.42 -0.02 0.00 -0.47 0.00 0.00 55.73 55.54 2jsx s ARG 88 Cb 0.05 0.30 0.17 0.00 -0.57 0.00 0.00 34.95 34.91 2jsx s ARG 88 CO 0.83 -0.12 0.49 -1.12 -1.08 0.00 0.00 175.30 174.29 2jsx s SER 89 N -0.28 5.27 -0.99 -2.89 0.01 -1.26 -4.99 113.70 108.57 2jsx s SER 89 Ca -0.04 -3.08 -0.12 0.00 1.31 0.00 0.00 55.95 54.02 2jsx s SER 89 Cb -0.03 -1.84 0.23 0.00 0.21 0.00 0.00 66.02 64.59 2jsx s SER 89 CO 0.03 -0.31 1.00 -1.00 0.41 0.00 0.00 173.24 173.37 2jsx s HIS 90 N -0.39 3.92 -1.00 2.43 3.76 -1.26 -4.94 115.29 117.82 2jsx s HIS 90 Ca 0.19 -2.27 -0.04 0.00 -0.15 0.00 0.00 55.06 52.79 2jsx s HIS 90 Cb -0.18 -3.90 0.27 0.00 1.11 0.00 0.00 32.58 29.88 2jsx s HIS 90 CO -0.05 -1.04 1.08 -2.39 -0.85 0.00 0.00 174.74 171.49 2jsx n HIS 91 N 3.74 4.00 -2.32 1.40 1.44 -1.26 -5.00 115.22 117.21 2jsx n HIS 91 Ca 0.21 -3.65 -0.42 0.00 -2.01 0.00 0.00 57.72 51.85 2jsx n HIS 91 Cb 0.43 -1.31 -0.03 0.00 0.12 0.00 0.00 29.99 29.21 2jsx n HIS 91 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2jsx s HIS 92 N -1.84 2.99 -0.84 -1.40 -3.43 -1.26 -4.93 115.29 104.58 2jsx s HIS 92 Ca 0.31 0.98 -0.25 0.00 -0.80 0.00 0.00 55.06 55.30 2jsx s HIS 92 Cb -0.03 -3.56 0.03 0.00 -1.43 0.00 0.00 32.58 27.59 2jsx s HIS 92 CO -0.04 -1.97 1.46 -1.01 -2.00 0.00 0.00 174.74 171.18 2jsx s HIS 93 N 2.34 2.26 0.00 0.38 3.76 -1.26 -4.58 115.29 118.19 2jsx s HIS 93 Ca 0.60 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.33 2jsx s HIS 93 Cb -0.28 -4.55 0.00 0.00 1.11 0.00 0.00 32.58 28.85 2jsx s HIS 93 CO 0.24 -2.03 0.00 0.72 -0.85 0.00 0.00 174.74 172.83 2jsx n HIS 94 N 9.94 0.00 0.00 1.40 8.25 -1.26 -5.36 115.22 128.19 2jsx n HIS 94 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2jsx n HIS 94 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2jsx n HIS 94 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56