#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtx n LEU 3 N 0.00 0.00 0.02 1.20 -0.00 -1.26 -4.78 117.00 112.18 1jtx n LEU 3 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 1jtx n LEU 3 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1jtx n LEU 3 CO 0.00 0.00 -0.55 0.50 -0.00 0.00 0.00 177.39 177.34 1jtx h LYS 4 N 0.00 0.27 0.00 1.96 3.11 -2.00 -3.23 116.57 116.68 1jtx h LYS 4 Ca 0.00 -0.47 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 1jtx h LYS 4 Cb 0.00 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.40 1jtx h LYS 4 CO 0.00 1.22 0.00 -0.44 -2.81 0.00 0.00 179.45 177.42 1jtx h ASP 5 N -0.16 0.00 -0.17 4.20 5.19 -2.00 -2.61 116.42 120.88 1jtx h ASP 5 Ca -0.34 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.97 1jtx h ASP 5 Cb 1.88 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.38 1jtx h ASP 5 CO 0.08 0.00 -0.20 0.50 -3.12 0.00 0.00 179.24 176.50 1jtx h LYS 6 N 0.00 0.59 0.18 3.56 1.63 -1.86 -2.62 116.57 118.04 1jtx h LYS 6 Ca 0.00 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1jtx h LYS 6 Cb 0.70 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1jtx h LYS 6 CO 0.00 0.76 -0.08 0.82 -3.45 0.00 0.00 179.45 177.49 1jtx h ILE 7 N 0.53 0.90 -1.01 2.00 5.03 -1.49 -2.35 117.51 121.12 1jtx h ILE 7 Ca 0.08 -0.98 0.25 0.00 -0.12 0.00 0.00 64.86 64.09 1jtx h ILE 7 Cb 0.64 1.44 -0.09 0.00 -3.03 0.00 0.00 36.82 35.77 1jtx h ILE 7 CO 0.05 0.20 0.65 -0.07 -0.68 0.00 0.00 178.15 178.30 1jtx h LEU 8 N -0.76 0.46 0.09 1.44 3.38 -1.51 0.47 115.31 118.88 1jtx h LEU 8 Ca -0.02 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jtx h LEU 8 Cb 0.52 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1jtx h LEU 8 CO 0.04 0.12 -0.04 1.23 0.09 0.00 0.00 178.44 179.87 1jtx h GLY 9 N 0.42 -0.13 1.25 0.83 0.00 -1.44 -1.69 103.07 102.32 1jtx h GLY 9 Ca 0.57 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.97 1jtx h GLY 9 CO -0.28 -0.05 0.46 -2.08 0.00 0.00 0.00 176.54 174.60 1jtx h VAL 10 N -0.83 1.13 0.37 4.60 2.07 -1.01 -1.90 116.25 120.69 1jtx h VAL 10 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1jtx h VAL 10 Cb 0.58 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1jtx h VAL 10 CO 0.02 0.16 -0.18 0.00 0.02 0.00 0.00 177.57 177.59 1jtx h ALA 11 N 1.58 -0.50 -0.81 1.67 0.00 -0.95 -2.09 119.26 118.16 1jtx h ALA 11 Ca 0.27 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1jtx h ALA 11 Cb -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1jtx h ALA 11 CO -0.07 -0.69 0.53 -0.22 0.00 0.00 0.00 179.25 178.80 1jtx h LYS 12 N -0.69 0.59 -0.31 0.00 3.64 -1.04 0.16 116.57 118.93 1jtx h LYS 12 Ca -0.05 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1jtx h LYS 12 Cb 0.49 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1jtx h LYS 12 CO 0.08 0.39 -0.32 1.49 -2.27 0.00 0.00 179.45 178.82 1jtx h GLU 13 N 0.60 0.66 -0.02 1.90 4.57 -1.13 -2.49 114.58 118.68 1jtx h GLU 13 Ca 0.40 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 58.16 1jtx h GLU 13 Cb 0.68 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1jtx h GLU 13 CO -0.16 0.90 -0.43 -0.07 -1.18 0.00 0.00 179.01 178.07 1jtx h LEU 14 N 0.56 0.42 -1.98 1.64 3.38 -0.38 -2.52 115.31 116.42 1jtx h LEU 14 Ca 0.06 -0.73 0.13 0.00 0.09 0.00 0.00 57.88 57.43 1jtx h LEU 14 Cb 0.83 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1jtx h LEU 14 CO 0.07 1.09 0.33 -0.26 0.09 0.00 0.00 178.44 179.76 1jtx h PHE 15 N -0.22 0.02 0.00 1.13 0.05 -0.74 0.42 116.94 117.60 1jtx h PHE 15 Ca -0.05 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.54 1jtx h PHE 15 Cb 1.14 -0.01 -0.03 0.00 2.00 0.00 0.00 35.95 39.05 1jtx h PHE 15 CO 0.15 0.01 -1.05 0.82 -0.18 0.00 0.00 178.31 178.06 1jtx h ILE 16 N 0.02 1.34 0.00 -0.55 2.04 -1.41 -0.99 117.51 117.96 1jtx h ILE 16 Ca 0.22 -2.99 -0.23 0.00 1.00 0.00 0.00 64.86 62.86 1jtx h ILE 16 Cb 0.85 2.65 -0.04 0.00 -0.74 0.00 0.00 36.82 39.54 1jtx h ILE 16 CO -0.01 0.76 -1.84 2.29 0.00 0.00 0.00 178.15 179.36 1jtx n LYS 17 N -3.25 0.65 -0.00 2.37 2.85 -0.24 -4.52 118.16 116.03 1jtx n LYS 17 Ca -0.03 0.11 0.01 0.00 -1.05 0.00 0.00 58.31 57.35 1jtx n LYS 17 Cb 0.91 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 33.60 1jtx n LYS 17 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jtx n ASN 18 N -2.78 1.24 0.00 -5.58 3.02 0.13 -5.09 115.26 106.20 1jtx n ASN 18 Ca -0.17 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1jtx n ASN 18 Cb 0.93 1.04 0.00 0.00 -0.61 0.00 0.00 39.78 41.14 1jtx n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jtx n GLY 19 N 1.40 -0.68 0.00 7.41 0.00 -0.38 -4.42 105.19 108.52 1jtx n GLY 19 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1jtx n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jtx n TYR 20 N -0.66 0.00 -0.52 1.61 9.36 -1.26 -3.57 117.16 122.12 1jtx n TYR 20 Ca 0.00 0.00 0.43 0.00 3.32 0.00 0.00 57.90 61.65 1jtx n TYR 20 Cb 0.00 -0.16 0.70 0.00 -0.63 0.00 0.00 39.34 39.25 1jtx n TYR 20 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1jtx n ASN 21 N -0.99 0.16 0.00 2.98 3.02 -1.26 0.72 115.26 119.89 1jtx n ASN 21 Ca 0.00 1.30 0.16 0.00 -0.03 0.00 0.00 54.58 56.00 1jtx n ASN 21 Cb 0.00 -0.64 0.91 0.00 -0.61 0.00 0.00 39.78 39.44 1jtx n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jtx n ALA 22 N -2.61 2.65 -3.32 5.41 0.00 -1.25 -4.68 120.51 116.70 1jtx n ALA 22 Ca 0.41 -0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 1jtx n ALA 22 Cb 1.66 -1.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1jtx n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jtx s THR 23 N -2.12 3.72 0.06 0.00 2.01 0.22 -4.97 115.64 114.57 1jtx s THR 23 Ca 0.44 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1jtx s THR 23 Cb 0.22 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1jtx s THR 23 CO 0.39 0.30 0.28 0.42 -0.69 0.00 0.00 174.62 175.32 1jtx s THR 24 N 1.51 5.29 0.63 -0.82 -4.23 -1.26 -4.96 115.64 111.80 1jtx s THR 24 Ca 0.05 -0.03 0.35 0.00 -1.18 0.00 0.00 61.69 60.87 1jtx s THR 24 Cb -0.15 -3.60 0.38 0.00 1.34 0.00 0.00 72.50 70.47 1jtx s THR 24 CO -0.00 0.21 2.19 0.71 -0.54 0.00 0.00 174.62 177.19 1jtx h THR 25 N 2.50 0.24 -0.21 3.99 1.35 -1.98 -1.33 112.91 117.46 1jtx h THR 25 Ca -0.47 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.21 1jtx h THR 25 Cb 1.18 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1jtx h THR 25 CO 0.71 0.00 -0.55 1.23 -0.25 0.00 0.00 175.52 176.66 1jtx h GLY 26 N 0.00 0.83 2.00 5.82 0.00 -1.99 -0.64 103.07 109.09 1jtx h GLY 26 Ca 0.03 -1.03 -0.13 0.00 0.00 0.00 0.00 47.33 46.20 1jtx h GLY 26 CO -0.00 0.92 -0.61 -2.09 0.00 0.00 0.00 176.54 174.77 1jtx h GLU 27 N 0.48 0.00 0.64 4.80 4.81 -1.76 -2.36 114.58 121.19 1jtx h GLU 27 Ca -0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1jtx h GLU 27 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1jtx h GLU 27 CO 0.12 0.61 -0.31 0.82 -0.73 0.00 0.00 179.01 179.52 1jtx h ILE 28 N 0.00 0.00 0.06 2.32 1.08 -1.14 -3.08 117.51 116.75 1jtx h ILE 28 Ca -0.01 -0.04 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1jtx h ILE 28 Cb 1.21 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 1jtx h ILE 28 CO 0.08 0.00 -0.25 0.58 -0.69 0.00 0.00 178.15 177.87 1jtx h VAL 29 N -0.90 0.00 0.00 1.67 2.07 -1.13 -2.42 116.25 115.55 1jtx h VAL 29 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1jtx h VAL 29 Cb 0.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1jtx h VAL 29 CO 0.14 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.02 1jtx n LYS 30 N -3.89 0.11 -0.02 1.57 2.85 -0.89 -0.63 118.16 117.27 1jtx n LYS 30 Ca -0.04 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1jtx n LYS 30 Cb 0.20 -1.38 -0.09 0.00 -0.65 0.00 0.00 35.03 33.10 1jtx n LYS 30 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1jtx n LEU 31 N -0.88 0.00 -1.66 -5.58 7.94 -1.01 -4.26 117.00 111.55 1jtx n LEU 31 Ca 0.02 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.85 1jtx n LEU 31 Cb 0.01 0.06 0.25 0.00 0.53 0.00 0.00 43.42 44.27 1jtx n LEU 31 CO 0.02 0.06 0.95 -1.54 -1.11 0.00 0.00 177.39 175.77 1jtx n SER 32 N -2.03 3.88 -3.82 1.96 3.41 0.20 -4.97 113.62 112.26 1jtx n SER 32 Ca -0.06 -3.41 -0.25 0.00 -0.26 0.00 0.00 58.87 54.90 1jtx n SER 32 Cb 0.44 -0.71 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1jtx n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jtx n GLU 33 N -0.66 -0.81 0.00 4.33 1.02 -0.76 -4.84 120.64 118.92 1jtx n GLU 33 Ca 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1jtx n GLU 33 Cb 1.28 -2.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1jtx n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jtx n SER 34 N -1.66 0.00 -3.86 1.62 2.88 -1.06 -5.04 113.62 106.50 1jtx n SER 34 Ca -0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.24 1jtx n SER 34 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1jtx n SER 34 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jtx s SER 35 N 1.00 -0.02 0.21 -3.46 1.04 -1.26 -4.66 113.70 106.54 1jtx s SER 35 Ca 0.00 -0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 1jtx s SER 35 Cb 0.00 0.24 0.26 0.00 0.10 0.00 0.00 66.02 66.61 1jtx s SER 35 CO 0.00 -0.32 1.66 0.50 0.98 0.00 0.00 173.24 176.06 1jtx h LYS 36 N 4.54 0.09 -0.55 4.02 3.64 -1.96 0.12 116.57 126.47 1jtx h LYS 36 Ca -0.30 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1jtx h LYS 36 Cb 1.19 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1jtx h LYS 36 CO 0.40 0.06 0.22 0.78 -2.27 0.00 0.00 179.45 178.65 1jtx h GLY 37 N 0.10 0.86 0.95 5.01 0.00 -1.98 -0.91 103.07 107.09 1jtx h GLY 37 Ca 0.30 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1jtx h GLY 37 CO -0.51 0.41 -0.28 -0.57 0.00 0.00 0.00 176.54 175.59 1jtx h ASN 38 N 0.79 -0.65 -1.00 0.19 -1.24 -1.26 -1.25 115.58 111.16 1jtx h ASN 38 Ca 0.19 -0.00 0.20 0.00 0.71 0.00 0.00 56.30 57.40 1jtx h ASN 38 Cb 0.16 0.17 -0.10 0.00 0.73 0.00 0.00 38.32 39.27 1jtx h ASN 38 CO -0.02 -0.42 0.61 0.25 -1.29 0.00 0.00 177.43 176.56 1jtx h LEU 39 N -0.84 0.71 -1.07 0.34 6.46 -0.76 0.23 115.31 120.38 1jtx h LEU 39 Ca -0.08 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1jtx h LEU 39 Cb 0.62 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1jtx h LEU 39 CO 0.13 0.24 -0.30 1.88 -0.62 0.00 0.00 178.44 179.76 1jtx h TYR 40 N 0.68 0.00 0.06 1.25 0.05 -0.83 -1.01 116.97 117.17 1jtx h TYR 40 Ca 0.57 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.35 1jtx h TYR 40 Cb 1.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.74 1jtx h TYR 40 CO -0.00 0.30 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.46 1jtx h TYR 41 N 0.00 -0.08 -0.18 4.88 3.20 0.65 -3.33 116.97 122.11 1jtx h TYR 41 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1jtx h TYR 41 Cb 0.80 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1jtx h TYR 41 CO 0.00 0.51 -0.06 0.45 -1.64 0.00 0.00 178.16 177.42 1jtx h HIS 42 N -0.76 0.40 -4.35 -3.82 3.86 -1.39 -3.43 115.15 105.67 1jtx h HIS 42 Ca -0.01 -0.09 -0.62 0.00 -1.16 0.00 0.00 60.37 58.49 1jtx h HIS 42 Cb 0.62 -0.10 -0.30 0.00 1.06 0.00 0.00 27.41 28.69 1jtx h HIS 42 CO 0.13 0.64 -0.86 -0.06 0.86 0.00 0.00 177.93 178.64 1jtx s PHE 43 N -4.67 1.93 0.00 2.45 0.40 -0.39 -5.08 117.98 112.62 1jtx s PHE 43 Ca -0.14 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1jtx s PHE 43 Cb 0.06 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1jtx s PHE 43 CO 0.74 -0.06 0.57 1.63 0.70 0.00 0.00 175.22 178.80 1jtx n LYS 44 N 2.66 0.00 -4.18 0.44 5.02 -1.25 -3.41 118.16 117.44 1jtx n LYS 44 Ca -0.16 0.26 -0.27 0.00 -2.02 0.00 0.00 58.31 56.13 1jtx n LYS 44 Cb 0.53 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 1jtx n LYS 44 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jtx s THR 45 N -1.68 3.86 0.29 -0.18 -1.32 -1.26 -4.54 115.64 110.81 1jtx s THR 45 Ca 0.00 -1.32 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 1jtx s THR 45 Cb 0.00 -2.93 0.28 0.00 -1.51 0.00 0.00 72.50 68.34 1jtx s THR 45 CO 0.00 -0.08 1.74 0.50 -2.21 0.00 0.00 174.62 174.58 1jtx h LYS 46 N 2.76 0.58 -0.03 7.08 3.64 -1.96 0.74 116.57 129.38 1jtx h LYS 46 Ca -0.47 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1jtx h LYS 46 Cb 1.20 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1jtx h LYS 46 CO 0.59 0.39 0.04 1.05 -2.27 0.00 0.00 179.45 179.24 1jtx h GLU 47 N 0.60 0.00 0.12 1.90 -0.00 -1.99 -1.26 114.58 113.95 1jtx h GLU 47 Ca 0.55 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.69 1jtx h GLU 47 Cb 0.91 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.67 1jtx h GLU 47 CO -0.43 0.00 -1.05 -0.97 -0.00 0.00 0.00 179.01 176.56 1jtx h ASN 48 N 0.00 0.39 -0.74 3.06 -0.00 0.06 -2.15 115.58 116.21 1jtx h ASN 48 Ca 0.02 -0.90 0.15 0.00 -0.00 0.00 0.00 56.30 55.56 1jtx h ASN 48 Cb 0.10 -0.13 -0.10 0.00 -0.00 0.00 0.00 38.32 38.19 1jtx h ASN 48 CO -0.00 1.48 0.26 0.25 -0.00 0.00 0.00 177.43 179.41 1jtx h LEU 49 N -0.39 0.19 -0.36 0.34 5.85 -0.40 0.21 115.31 120.76 1jtx h LEU 49 Ca -0.21 0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.46 1jtx h LEU 49 Cb 1.65 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1jtx h LEU 49 CO 0.09 0.06 -0.43 0.15 -0.34 0.00 0.00 178.44 177.97 1jtx h PHE 50 N 0.38 1.12 -0.72 1.25 3.04 -1.36 -1.21 116.94 119.44 1jtx h PHE 50 Ca 0.41 -0.35 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1jtx h PHE 50 Cb 0.64 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 1jtx h PHE 50 CO -0.19 1.19 0.48 -0.07 -2.02 0.00 0.00 178.31 177.69 1jtx h LEU 51 N 0.73 0.81 0.44 0.59 3.38 -0.13 -0.85 115.31 120.28 1jtx h LEU 51 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1jtx h LEU 51 Cb 1.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1jtx h LEU 51 CO 0.10 0.58 -0.21 -0.08 0.09 0.00 0.00 178.44 178.92 1jtx h GLU 52 N 0.95 -0.56 -0.99 1.13 4.81 -0.55 -2.42 114.58 116.95 1jtx h GLU 52 Ca 0.27 0.04 0.34 0.00 -0.13 0.00 0.00 59.36 59.88 1jtx h GLU 52 Cb -0.07 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 29.26 1jtx h GLU 52 CO -0.06 -0.27 0.28 0.82 -0.73 0.00 0.00 179.01 179.06 1jtx h ILE 53 N -1.00 0.02 -0.96 2.32 2.04 -0.90 1.02 117.51 120.06 1jtx h ILE 53 Ca -0.06 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1jtx h ILE 53 Cb 0.56 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1jtx h ILE 53 CO 0.10 0.00 0.59 0.25 0.00 0.00 0.00 178.15 179.09 1jtx h LEU 54 N 0.02 1.14 -0.94 1.44 5.85 -0.95 -1.39 115.31 120.48 1jtx h LEU 54 Ca 0.72 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 59.30 1jtx h LEU 54 Cb 1.71 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1jtx h LEU 54 CO -0.84 0.86 -0.40 0.78 -0.34 0.00 0.00 178.44 178.50 1jtx h ASN 55 N 1.31 0.00 0.45 1.25 2.35 0.16 -1.04 115.58 120.06 1jtx h ASN 55 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1jtx h ASN 55 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1jtx h ASN 55 CO -0.07 0.40 -0.22 0.40 -1.65 0.00 0.00 177.43 176.29 1jtx h ILE 56 N 0.00 0.00 -0.98 2.81 2.04 -0.53 -0.83 117.51 120.01 1jtx h ILE 56 Ca -0.00 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.44 1jtx h ILE 56 Cb 0.90 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1jtx h ILE 56 CO 0.05 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.49 1jtx h GLU 57 N -1.15 0.92 -0.99 2.37 4.39 -1.32 0.11 114.58 118.91 1jtx h GLU 57 Ca -0.06 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jtx h GLU 57 Cb 0.46 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1jtx h GLU 57 CO 0.10 0.61 0.65 0.93 -1.16 0.00 0.00 179.01 180.14 1jtx h GLU 58 N 0.95 1.22 0.13 2.33 4.39 -1.16 -2.49 114.58 119.95 1jtx h GLU 58 Ca 0.49 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 1jtx h GLU 58 Cb 0.53 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1jtx h GLU 58 CO -0.26 0.81 -0.06 1.03 -1.16 0.00 0.00 179.01 179.37 1jtx h SER 59 N 1.26 -0.14 0.00 1.42 0.87 0.64 -3.01 113.55 114.59 1jtx h SER 59 Ca 0.39 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1jtx h SER 59 Cb -0.02 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1jtx h SER 59 CO -0.12 0.46 0.07 0.29 -0.53 0.00 0.00 176.83 177.00 1jtx n LYS 60 N -4.87 0.00 -0.06 2.24 5.02 -0.13 -0.38 118.16 119.98 1jtx n LYS 60 Ca -0.07 0.40 -0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1jtx n LYS 60 Cb 0.26 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 1jtx n LYS 60 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1jtx n TRP 61 N -1.39 0.64 0.17 2.13 -0.00 -0.94 -3.17 117.44 114.86 1jtx n TRP 61 Ca 0.00 0.16 0.02 0.00 -0.00 0.00 0.00 57.50 57.68 1jtx n TRP 61 Cb 0.07 -1.09 0.27 0.00 -0.00 0.00 0.00 31.31 30.55 1jtx n TRP 61 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 1jtx h GLN 62 N 0.03 0.00 0.26 5.87 4.15 -0.57 -2.57 115.11 122.28 1jtx h GLN 62 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1jtx h GLN 62 Cb 2.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.72 1jtx h GLN 62 CO 0.02 0.48 -0.13 0.93 -1.93 0.00 0.00 178.83 178.21 1jtx h GLU 63 N 0.00 -0.34 -1.40 1.69 5.08 -1.26 -2.37 114.58 115.98 1jtx h GLU 63 Ca -0.00 0.02 0.41 0.00 -1.00 0.00 0.00 59.36 58.78 1jtx h GLU 63 Cb 0.94 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 1jtx h GLU 63 CO 0.06 -0.23 1.10 0.37 -1.00 0.00 0.00 179.01 179.32 1jtx h GLN 64 N -0.53 0.00 0.09 2.33 4.15 -1.55 0.28 115.11 119.88 1jtx h GLN 64 Ca -0.04 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.08 1jtx h GLN 64 Cb 0.27 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1jtx h GLN 64 CO 0.06 0.00 -1.61 2.35 -1.93 0.00 0.00 178.83 177.70 1jtx h TRP 65 N 0.00 0.33 -0.39 3.99 2.91 -1.45 -2.01 115.95 119.33 1jtx h TRP 65 Ca 0.67 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 60.42 1jtx h TRP 65 Cb 2.86 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 31.48 1jtx h TRP 65 CO 0.00 1.34 0.15 -0.22 -1.03 0.00 0.00 178.44 178.68 1jtx h LYS 66 N 0.05 0.58 -0.52 2.65 1.63 0.07 0.16 116.57 121.19 1jtx h LYS 66 Ca -0.26 -0.11 -0.11 0.00 -0.85 0.00 0.00 60.65 59.32 1jtx h LYS 66 Cb 2.00 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 33.52 1jtx h LYS 66 CO 0.13 0.56 -0.09 0.87 -3.45 0.00 0.00 179.45 177.46 1jtx h LYS 67 N 0.48 0.97 -0.02 1.90 1.57 -1.38 -3.20 116.57 116.89 1jtx h LYS 67 Ca 0.13 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1jtx h LYS 67 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1jtx h LYS 67 CO -0.01 1.01 -0.04 0.39 -0.57 0.00 0.00 179.45 180.23 1jtx n GLU 68 N -4.15 1.64 0.09 3.15 1.02 -0.76 -4.20 120.64 117.43 1jtx n GLU 68 Ca 0.02 -1.01 0.13 0.00 -0.02 0.00 0.00 57.16 56.27 1jtx n GLU 68 Cb 0.39 -1.48 0.32 0.00 -0.02 0.00 0.00 31.44 30.64 1jtx n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1jtx h GLN 69 N 2.48 0.00 -0.73 3.49 3.07 -0.67 -3.34 115.11 119.40 1jtx h GLN 69 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 1jtx h GLN 69 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.07 1jtx h GLN 69 CO 0.00 0.00 0.46 0.82 0.09 0.00 0.00 178.83 180.20 1jtx h ILE 70 N 0.00 1.08 0.00 1.86 2.04 -1.75 -2.61 117.51 118.14 1jtx h ILE 70 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1jtx h ILE 70 Cb 0.75 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1jtx h ILE 70 CO 0.00 0.16 0.00 0.29 0.00 0.00 0.00 178.15 178.60 1jtx n LYS 71 N -4.66 0.07 -3.59 2.37 4.01 -1.25 -4.18 118.16 110.93 1jtx n LYS 71 Ca 0.08 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.64 1jtx n LYS 71 Cb 0.10 -1.11 -0.16 0.00 -0.51 0.00 0.00 35.03 33.36 1jtx n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jtx s ALA 72 N -0.68 0.28 -0.01 7.82 0.00 -0.98 -5.04 121.76 123.14 1jtx s ALA 72 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 1jtx s ALA 72 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1jtx s ALA 72 CO 0.00 -1.18 0.57 1.57 0.00 0.00 0.00 175.76 176.72 1jtx h LYS 73 N 8.40 -0.21 -7.15 0.00 2.10 -1.85 -3.45 116.57 114.41 1jtx h LYS 73 Ca -0.15 0.01 -0.47 0.00 -2.00 0.00 0.00 60.65 58.04 1jtx h LYS 73 Cb 1.15 0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1jtx h LYS 73 CO 0.29 -0.14 0.37 0.95 -2.00 0.00 0.00 179.45 178.92 1jtx s THR 74 N -2.53 4.32 0.41 0.07 -4.23 -1.26 -4.96 115.64 107.46 1jtx s THR 74 Ca -0.03 1.22 0.10 0.00 -1.18 0.00 0.00 61.69 61.79 1jtx s THR 74 Cb 0.00 -3.62 0.19 0.00 1.34 0.00 0.00 72.50 70.42 1jtx s THR 74 CO 0.09 -0.54 1.97 0.78 -0.54 0.00 0.00 174.62 176.39 1jtx h ASN 75 N 1.13 0.26 -0.54 3.99 4.21 -1.90 -0.38 115.58 122.34 1jtx h ASN 75 Ca -0.48 -0.04 0.13 0.00 1.21 0.00 0.00 56.30 57.13 1jtx h ASN 75 Cb 1.19 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 38.30 1jtx h ASN 75 CO 0.61 0.33 0.38 -0.09 -1.29 0.00 0.00 177.43 177.36 1jtx h ARG 76 N 0.27 0.14 0.16 0.81 2.43 -1.93 0.11 114.38 116.38 1jtx h ARG 76 Ca 0.06 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.93 1jtx h ARG 76 Cb 0.23 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1jtx h ARG 76 CO 0.01 0.10 -1.31 0.93 -1.51 0.00 0.00 179.97 178.18 1jtx h GLU 77 N 0.15 0.34 -0.96 0.20 5.08 -1.46 -2.93 114.58 114.99 1jtx h GLU 77 Ca 0.26 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1jtx h GLU 77 Cb 0.82 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 1jtx h GLU 77 CO -0.04 1.27 0.64 0.87 -1.00 0.00 0.00 179.01 180.76 1jtx h LYS 78 N 0.09 1.27 0.87 2.33 1.57 -0.62 0.26 116.57 122.34 1jtx h LYS 78 Ca -0.17 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.49 1jtx h LYS 78 Cb 2.02 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 34.05 1jtx h LYS 78 CO 0.22 0.84 -0.42 0.35 -0.57 0.00 0.00 179.45 179.87 1jtx h PHE 79 N 1.31 -1.08 -0.60 -1.35 3.57 -1.06 0.49 116.94 118.20 1jtx h PHE 79 Ca 0.35 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.95 1jtx h PHE 79 Cb -0.15 0.36 -0.11 0.00 2.79 0.00 0.00 35.95 38.84 1jtx h PHE 79 CO -0.00 -0.67 -0.07 1.88 -2.23 0.00 0.00 178.31 177.22 1jtx h TYR 80 N -1.27 -0.17 -0.08 0.41 0.05 -1.34 -2.35 116.97 112.23 1jtx h TYR 80 Ca -0.12 0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1jtx h TYR 80 Cb 0.90 0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 1jtx h TYR 80 CO 0.01 -0.21 0.01 1.25 -1.05 0.00 0.00 178.16 178.17 1jtx h LEU 81 N 0.06 0.12 -0.43 3.88 5.85 -0.35 -2.17 115.31 122.27 1jtx h LEU 81 Ca 0.31 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1jtx h LEU 81 Cb 0.49 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 1jtx h LEU 81 CO -0.57 0.34 -0.14 0.22 -0.34 0.00 0.00 178.44 177.95 1jtx h TYR 82 N -0.10 -0.33 -0.76 1.25 3.20 0.32 0.32 116.97 120.86 1jtx h TYR 82 Ca 0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1jtx h TYR 82 Cb 0.27 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1jtx h TYR 82 CO 0.01 -0.23 0.42 -0.91 -1.64 0.00 0.00 178.16 175.82 1jtx h ASN 83 N -0.05 0.93 -0.08 -2.11 -0.26 -1.38 -2.11 115.58 110.51 1jtx h ASN 83 Ca 0.21 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1jtx h ASN 83 Cb 0.37 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1jtx h ASN 83 CO -0.47 0.74 0.01 -0.33 -1.06 0.00 0.00 177.43 176.33 1jtx h GLU 84 N 1.05 0.14 -0.20 0.81 5.08 -0.58 -2.97 114.58 117.92 1jtx h GLU 84 Ca 0.27 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1jtx h GLU 84 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1jtx h GLU 84 CO -0.04 0.35 0.13 -0.07 -1.00 0.00 0.00 179.01 178.38 1jtx h LEU 85 N -0.10 0.21 -1.49 1.33 3.38 -0.71 -2.60 115.31 115.33 1jtx h LEU 85 Ca 0.03 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.12 1jtx h LEU 85 Cb 0.28 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1jtx h LEU 85 CO 0.00 0.15 0.51 0.28 0.09 0.00 0.00 178.44 179.47 1jtx h SER 86 N 0.25 0.49 1.45 -0.43 0.02 -1.21 0.52 113.55 114.63 1jtx h SER 86 Ca 0.07 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1jtx h SER 86 Cb -0.00 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1jtx h SER 86 CO -0.02 0.26 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.73 1jtx h LEU 87 N 0.53 0.00 0.00 5.07 3.38 -1.55 -3.33 115.31 119.40 1jtx h LEU 87 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1jtx h LEU 87 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1jtx h LEU 87 CO -0.13 0.14 -0.88 0.35 0.09 0.00 0.00 178.44 178.01 1jtx n THR 88 N -3.18 0.00 -0.99 0.22 -2.24 -0.38 -5.02 114.28 102.69 1jtx n THR 88 Ca 0.02 -0.25 -0.32 0.00 -2.27 0.00 0.00 64.05 61.22 1jtx n THR 88 Cb 0.49 0.68 0.14 0.00 -2.10 0.00 0.00 70.33 69.54 1jtx n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jtx s THR 89 N -2.22 2.12 -1.82 4.28 -1.32 0.03 -4.92 115.64 111.80 1jtx s THR 89 Ca 0.00 0.05 0.23 0.00 -1.21 0.00 0.00 61.69 60.76 1jtx s THR 89 Cb 0.07 -2.32 -0.03 0.00 -1.51 0.00 0.00 72.50 68.71 1jtx s THR 89 CO 0.39 -0.04 1.10 -1.84 -2.21 0.00 0.00 174.62 172.01 1jtx n GLU 90 N -3.61 0.95 -4.04 7.08 0.28 -1.26 -4.91 120.64 115.12 1jtx n GLU 90 Ca 0.13 -0.77 -0.34 0.00 -0.16 0.00 0.00 57.16 56.02 1jtx n GLU 90 Cb 0.51 -1.48 -0.07 0.00 1.43 0.00 0.00 31.44 31.83 1jtx n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jtx s TYR 91 N -2.58 3.40 0.00 -1.84 1.51 -1.26 -4.79 117.35 111.79 1jtx s TYR 91 Ca 0.17 0.31 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 1jtx s TYR 91 Cb 0.18 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1jtx s TYR 91 CO 0.62 0.60 0.00 0.98 -1.11 0.00 0.00 175.55 176.65 1jtx n TYR 92 N 1.45 0.00 -0.11 2.71 4.19 -1.26 -4.39 117.16 119.75 1jtx n TYR 92 Ca -0.15 0.00 0.23 0.00 3.31 0.00 0.00 57.90 61.30 1jtx n TYR 92 Cb 0.53 0.00 0.41 0.00 0.49 0.00 0.00 39.34 40.77 1jtx n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jtx h TYR 93 N 0.00 0.00 0.00 2.98 0.05 -1.91 1.08 116.97 119.17 1jtx h TYR 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jtx h TYR 93 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1jtx h TYR 93 CO 0.00 0.00 0.00 -2.30 -1.05 0.00 0.00 178.16 174.81 1jtx n PRO 94 N -3.17 0.16 0.00 4.88 -0.02 -1.26 -2.71 135.00 132.87 1jtx n PRO 94 Ca 0.18 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1jtx n PRO 94 Cb 1.37 -1.71 0.10 0.00 -0.02 0.00 0.00 33.50 33.24 1jtx n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jtx n LEU 95 N -1.99 1.29 -0.31 2.45 4.77 0.37 -4.59 117.00 118.99 1jtx n LEU 95 Ca 0.05 -0.45 0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1jtx n LEU 95 Cb 0.34 -0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.58 1jtx n LEU 95 CO 0.26 0.26 0.67 1.67 -1.33 0.00 0.00 177.39 178.92 1jtx n GLN 96 N -0.77 -0.07 0.01 3.23 -0.06 -1.10 -0.56 117.38 118.05 1jtx n GLN 96 Ca 0.08 1.35 -0.11 0.00 -2.00 0.00 0.00 57.00 56.32 1jtx n GLN 96 Cb 0.38 -2.10 -0.05 0.00 -4.06 0.00 0.00 30.24 24.41 1jtx n GLN 96 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1jtx h ASN 97 N 0.00 -0.07 -0.79 1.69 -0.73 -1.84 -1.46 115.58 112.38 1jtx h ASN 97 Ca 0.50 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.65 1jtx h ASN 97 Cb 0.97 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 39.57 1jtx h ASN 97 CO -0.86 -0.03 0.31 0.00 -0.37 0.00 0.00 177.43 176.48 1jtx h ALA 98 N 1.08 1.05 -0.23 1.57 0.00 -1.06 -1.94 119.26 119.72 1jtx h ALA 98 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jtx h ALA 98 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jtx h ALA 98 CO -0.08 0.67 0.16 0.82 0.00 0.00 0.00 179.25 180.82 1jtx h ILE 99 N 1.15 0.93 0.07 0.00 5.03 -0.54 0.11 117.51 124.27 1jtx h ILE 99 Ca 0.26 -0.03 -0.00 0.00 -0.12 0.00 0.00 64.86 64.97 1jtx h ILE 99 Cb 0.23 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 1jtx h ILE 99 CO -0.02 0.02 -0.04 0.40 -0.68 0.00 0.00 178.15 177.83 1jtx h ILE 100 N 0.08 0.00 -0.92 -0.67 1.08 -0.52 -2.19 117.51 114.37 1jtx h ILE 100 Ca 0.11 -0.05 0.18 0.00 -0.39 0.00 0.00 64.86 64.71 1jtx h ILE 100 Cb 0.32 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 33.90 1jtx h ILE 100 CO -0.01 0.00 -0.23 -0.62 -0.69 0.00 0.00 178.15 176.60 1jtx n GLU 101 N -2.42 -0.08 0.16 2.37 1.02 -0.97 -0.00 120.64 120.70 1jtx n GLU 101 Ca -0.01 1.43 0.01 0.00 -0.02 0.00 0.00 57.16 58.57 1jtx n GLU 101 Cb 0.04 -2.14 0.32 0.00 -0.02 0.00 0.00 31.44 29.64 1jtx n GLU 101 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jtx h PHE 102 N 0.00 0.09 0.12 -0.32 3.04 -1.05 -2.95 116.94 115.87 1jtx h PHE 102 Ca 0.44 -0.02 -0.27 0.00 3.98 0.00 0.00 57.97 62.10 1jtx h PHE 102 Cb 0.67 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 39.17 1jtx h PHE 102 CO -0.70 0.44 -1.22 -0.92 -2.02 0.00 0.00 178.31 173.89 1jtx h TYR 103 N 0.07 0.57 0.00 0.41 5.03 0.24 -3.00 116.97 120.29 1jtx h TYR 103 Ca 0.01 -0.40 0.00 0.00 2.58 0.00 0.00 58.73 60.92 1jtx h TYR 103 Cb 0.69 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.93 1jtx h TYR 103 CO 0.00 1.29 0.00 0.25 -1.32 0.00 0.00 178.16 178.38 1jtx n THR 104 N -3.59 0.35 -0.05 1.81 -2.24 -0.49 -2.13 114.28 107.93 1jtx n THR 104 Ca -0.09 0.09 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 1jtx n THR 104 Cb 1.00 -0.76 0.13 0.00 -2.10 0.00 0.00 70.33 68.59 1jtx n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jtx n GLU 105 N -1.25 2.43 -0.24 -0.78 2.13 -1.12 -4.65 120.64 117.15 1jtx n GLU 105 Ca 0.10 -1.86 0.00 0.00 0.66 0.00 0.00 57.16 56.06 1jtx n GLU 105 Cb 0.15 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1jtx n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jtx n TYR 106 N 0.50 0.00 0.39 4.31 4.01 -1.02 -4.84 117.16 120.51 1jtx n TYR 106 Ca 0.10 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.98 1jtx n TYR 106 Cb 0.39 0.14 0.45 0.00 -0.31 0.00 0.00 39.34 40.01 1jtx n TYR 106 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1jtx h TYR 107 N 0.00 0.00 0.19 -0.72 -0.00 -1.70 -3.27 116.97 111.48 1jtx h TYR 107 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.72 1jtx h TYR 107 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.79 1jtx h TYR 107 CO -0.09 0.00 -0.09 -0.22 -0.00 0.00 0.00 178.16 177.76 1jtx h LYS 108 N 0.00 -0.25 -5.85 0.10 1.63 -1.88 -3.41 116.57 106.91 1jtx h LYS 108 Ca 0.00 0.02 -0.52 0.00 -0.85 0.00 0.00 60.65 59.29 1jtx h LYS 108 Cb 0.63 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1jtx h LYS 108 CO 0.00 -0.17 1.52 0.95 -3.45 0.00 0.00 179.45 178.31 1jtx s THR 109 N -3.10 3.08 0.57 1.00 -4.23 -1.23 -4.82 115.64 106.91 1jtx s THR 109 Ca -0.04 0.07 0.38 0.00 -1.18 0.00 0.00 61.69 60.92 1jtx s THR 109 Cb 0.00 -3.16 0.56 0.00 1.34 0.00 0.00 72.50 71.25 1jtx s THR 109 CO 0.11 -0.13 1.61 0.78 -0.54 0.00 0.00 174.62 176.45 1jtx h ASN 110 N 16.90 0.00 0.00 3.99 4.21 -1.85 -2.82 115.58 136.01 1jtx h ASN 110 Ca -0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.20 1jtx h ASN 110 Cb 1.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1jtx h ASN 110 CO 1.08 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 176.98 1jtx n SER 111 N -3.80 0.00 0.10 5.81 2.88 -1.26 -2.98 113.62 114.37 1jtx n SER 111 Ca 0.30 0.78 0.18 0.00 -1.33 0.00 0.00 58.87 58.79 1jtx n SER 111 Cb 1.53 -0.28 0.74 0.00 -0.75 0.00 0.00 64.21 65.45 1jtx n SER 111 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jtx h ILE 112 N 0.00 0.62 0.00 2.46 1.08 -1.77 -2.55 117.51 117.35 1jtx h ILE 112 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1jtx h ILE 112 Cb 0.00 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1jtx h ILE 112 CO 0.00 0.00 -0.15 -1.13 -0.69 0.00 0.00 178.15 176.18 1jtx h ASN 113 N 0.00 0.00 -0.17 1.72 -1.24 -1.47 -2.43 115.58 111.99 1jtx h ASN 113 Ca 0.17 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.96 1jtx h ASN 113 Cb 0.76 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.82 1jtx h ASN 113 CO -0.00 0.15 -0.72 -0.33 -1.29 0.00 0.00 177.43 175.23 1jtx h GLU 114 N 0.00 0.81 -0.05 6.67 5.08 -1.41 -1.91 114.58 123.77 1jtx h GLU 114 Ca -0.00 -0.62 -0.08 0.00 -1.00 0.00 0.00 59.36 57.65 1jtx h GLU 114 Cb 0.34 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jtx h GLU 114 CO 0.02 1.23 -0.36 0.87 -1.00 0.00 0.00 179.01 179.78 1jtx h LYS 115 N 0.57 0.09 0.10 2.33 1.79 -1.61 -0.41 116.57 119.44 1jtx h LYS 115 Ca -0.04 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1jtx h LYS 115 Cb 1.35 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1jtx h LYS 115 CO 0.15 0.44 -0.05 0.52 -1.08 0.00 0.00 179.45 179.43 1jtx h MET 116 N 0.08 -0.13 0.00 3.15 2.86 -1.37 -2.23 114.93 117.29 1jtx h MET 116 Ca 0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1jtx h MET 116 Cb 0.67 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1jtx h MET 116 CO 0.05 0.38 0.00 -0.91 1.06 0.00 0.00 176.91 177.49 1jtx h ASN 117 N -0.80 0.00 0.25 1.22 4.21 -1.32 0.37 115.58 119.51 1jtx h ASN 117 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1jtx h ASN 117 Cb 0.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 1jtx h ASN 117 CO 0.02 0.00 -0.12 0.50 -1.29 0.00 0.00 177.43 176.54 1jtx h LYS 118 N 0.00 -0.32 -0.67 0.81 3.64 -0.94 -2.86 116.57 116.23 1jtx h LYS 118 Ca 0.00 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1jtx h LYS 118 Cb 0.14 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1jtx h LYS 118 CO 0.00 -0.22 0.30 -0.07 -2.27 0.00 0.00 179.45 177.20 1jtx h LEU 119 N -0.54 0.36 -0.39 5.20 3.38 -0.76 -2.60 115.31 119.96 1jtx h LEU 119 Ca -0.03 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1jtx h LEU 119 Cb 0.26 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 1jtx h LEU 119 CO 0.06 0.21 -0.16 -0.33 0.09 0.00 0.00 178.44 178.30 1jtx h GLU 120 N 0.52 -0.08 0.00 1.13 4.39 -0.36 0.19 114.58 120.36 1jtx h GLU 120 Ca 0.34 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1jtx h GLU 120 Cb 0.39 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1jtx h GLU 120 CO -0.29 -0.05 0.00 -0.91 -1.16 0.00 0.00 179.01 176.60 1jtx h ASN 121 N -0.08 0.00 0.46 1.42 2.35 -1.22 -1.84 115.58 116.68 1jtx h ASN 121 Ca 0.19 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.64 1jtx h ASN 121 Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.76 1jtx h ASN 121 CO -0.45 0.00 -1.43 0.50 -1.65 0.00 0.00 177.43 174.40 1jtx h LYS 122 N 0.00 0.33 0.00 0.81 3.64 -0.56 -1.48 116.57 119.31 1jtx h LYS 122 Ca 0.00 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1jtx h LYS 122 Cb 0.17 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1jtx h LYS 122 CO 0.00 1.24 0.00 -0.92 -2.27 0.00 0.00 179.45 177.50 1jtx h TYR 123 N 0.09 0.00 0.00 1.91 3.20 -0.52 -2.90 116.97 118.75 1jtx h TYR 123 Ca -0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.66 1jtx h TYR 123 Cb 2.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.31 1jtx h TYR 123 CO 0.08 0.00 -1.91 -0.89 -1.64 0.00 0.00 178.16 173.80 1jtx n ILE 124 N -2.39 0.00 -0.38 1.81 5.41 -0.88 -4.52 119.36 118.41 1jtx n ILE 124 Ca 0.05 -0.46 -0.06 0.00 1.00 0.00 0.00 62.75 63.28 1jtx n ILE 124 Cb 0.43 0.08 -0.03 0.00 -0.71 0.00 0.00 39.64 39.41 1jtx n ILE 124 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1jtx h ASP 125 N 0.00 -1.77 -0.16 4.38 -0.00 -1.04 -2.07 116.42 115.75 1jtx h ASP 125 Ca 0.00 0.31 0.05 0.00 -0.00 0.00 0.00 57.03 57.39 1jtx h ASP 125 Cb 0.94 0.84 -0.07 0.00 -0.00 0.00 0.00 39.33 41.04 1jtx h ASP 125 CO 0.00 -0.27 -0.36 0.00 -0.00 0.00 0.00 179.24 178.62 1jtx h ALA 126 N 0.90 -0.42 -0.97 -0.78 0.00 -1.80 -0.88 119.26 115.31 1jtx h ALA 126 Ca 0.25 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.30 1jtx h ALA 126 Cb 0.51 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1jtx h ALA 126 CO -0.93 -0.83 0.60 1.88 0.00 0.00 0.00 179.25 179.97 1jtx h TYR 127 N -0.41 1.09 -0.34 0.00 0.05 -1.68 0.74 116.97 116.42 1jtx h TYR 127 Ca 0.10 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.96 1jtx h TYR 127 Cb 0.57 -0.34 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 1jtx h TYR 127 CO -0.45 0.42 0.06 1.25 -1.05 0.00 0.00 178.16 178.39 1jtx h HIS 128 N 0.94 0.10 0.47 4.88 2.76 -0.65 -0.06 115.15 123.60 1jtx h HIS 128 Ca 0.49 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.67 1jtx h HIS 128 Cb 0.50 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1jtx h HIS 128 CO -0.01 0.01 -0.38 0.28 -1.30 0.00 0.00 177.93 176.52 1jtx h VAL 129 N 0.18 0.22 -0.59 5.26 2.07 0.09 0.58 116.25 124.05 1jtx h VAL 129 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 1jtx h VAL 129 Cb 0.19 0.22 -0.11 0.00 -1.52 0.00 0.00 31.29 30.08 1jtx h VAL 129 CO -0.22 0.00 -0.07 0.40 0.02 0.00 0.00 177.57 177.70 1jtx h ILE 130 N -0.84 0.46 -0.24 4.57 1.08 -0.50 -1.44 117.51 120.60 1jtx h ILE 130 Ca -0.05 -0.02 -0.16 0.00 -0.39 0.00 0.00 64.86 64.24 1jtx h ILE 130 Cb 0.73 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1jtx h ILE 130 CO -0.01 0.01 -0.48 -0.26 -0.69 0.00 0.00 178.15 176.72 1jtx h PHE 131 N 0.06 0.94 0.22 1.37 0.04 -0.82 -2.47 116.94 116.28 1jtx h PHE 131 Ca 0.30 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1jtx h PHE 131 Cb 0.48 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1jtx h PHE 131 CO -0.42 1.14 -0.20 -0.22 -0.60 0.00 0.00 178.31 178.01 1jtx h LYS 132 N 0.47 -0.40 -0.34 1.51 3.64 -0.42 -1.92 116.57 119.12 1jtx h LYS 132 Ca 0.01 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1jtx h LYS 132 Cb 1.09 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jtx h LYS 132 CO 0.11 -0.27 0.45 0.93 -2.27 0.00 0.00 179.45 178.40 1jtx h GLU 133 N -0.41 0.00 -0.38 1.90 4.39 -1.39 0.46 114.58 119.14 1jtx h GLU 133 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 1jtx h GLU 133 Cb 0.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1jtx h GLU 133 CO -0.02 0.00 -0.38 0.78 -1.16 0.00 0.00 179.01 178.23 1jtx h GLY 134 N 0.00 1.00 1.21 -3.84 0.00 -0.88 0.90 103.07 101.47 1jtx h GLY 134 Ca 0.16 -1.01 -0.14 0.00 0.00 0.00 0.00 47.33 46.34 1jtx h GLY 134 CO -0.00 0.92 -0.28 3.43 0.00 0.00 0.00 176.54 180.61 1jtx h ASN 135 N 0.75 0.92 -0.45 0.19 2.35 0.60 0.72 115.58 120.66 1jtx h ASN 135 Ca 0.06 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 1jtx h ASN 135 Cb 0.97 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 1jtx h ASN 135 CO 0.09 1.13 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.82 1jtx h LEU 136 N 0.75 0.92 -1.34 1.61 3.38 -1.21 -2.18 115.31 117.24 1jtx h LEU 136 Ca 0.09 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jtx h LEU 136 Cb 0.84 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jtx h LEU 136 CO 0.07 1.05 0.00 0.59 0.09 0.00 0.00 178.44 180.24 1jtx n ASN 137 N -4.15 1.84 -1.79 -0.43 4.13 0.30 -4.88 115.26 110.28 1jtx n ASN 137 Ca 0.01 -2.16 -0.16 0.00 1.68 0.00 0.00 54.58 53.95 1jtx n ASN 137 Cb 0.39 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1jtx n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jtx n GLY 138 N 0.41 0.84 0.12 7.41 0.00 -0.76 -4.87 105.19 108.34 1jtx n GLY 138 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1jtx n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jtx h GLU 139 N 0.00 0.00 -2.58 1.61 5.08 0.20 -3.48 114.58 115.42 1jtx h GLU 139 Ca -0.35 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1jtx h GLU 139 Cb 1.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.31 1jtx h GLU 139 CO 0.47 0.68 0.39 1.67 -1.00 0.00 0.00 179.01 181.22 1jtx s TRP 140 N -3.25 -0.16 -0.26 4.33 -2.14 -1.24 -5.00 118.94 111.22 1jtx s TRP 140 Ca 0.00 -0.20 0.02 0.00 2.66 0.00 0.00 56.10 58.58 1jtx s TRP 140 Cb 0.11 0.66 0.07 0.00 -3.10 0.00 0.00 33.47 31.21 1jtx s TRP 140 CO 0.76 -0.97 -0.05 0.45 -2.66 0.00 0.00 176.95 174.49 1jtx s SER 141 N -2.93 4.19 -0.15 -2.66 0.15 -1.15 -4.10 113.70 107.04 1jtx s SER 141 Ca 0.12 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1jtx s SER 141 Cb -0.03 -1.34 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 1jtx s SER 141 CO 0.04 -0.25 -0.11 -0.63 1.20 0.00 0.00 173.24 173.48 1jtx s ILE 142 N 1.24 1.44 0.00 6.45 1.01 -1.26 -4.93 121.20 125.15 1jtx s ILE 142 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1jtx s ILE 142 Cb -0.19 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1jtx s ILE 142 CO -0.07 0.35 0.80 0.59 0.00 0.00 0.00 174.94 176.60 1jtx n ASN 143 N 4.80 0.00 -4.40 3.58 5.03 -1.26 -4.35 115.26 118.66 1jtx n ASN 143 Ca -0.15 0.81 -0.44 0.00 0.87 0.00 0.00 54.58 55.66 1jtx n ASN 143 Cb 0.49 -0.32 -0.05 0.00 -1.02 0.00 0.00 39.78 38.87 1jtx n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jtx s ASP 144 N -2.01 6.20 0.00 6.41 3.68 -1.26 -4.89 116.67 124.81 1jtx s ASP 144 Ca 0.00 -1.24 -0.25 0.00 2.13 0.00 0.00 52.55 53.19 1jtx s ASP 144 Cb 0.00 -2.28 -0.17 0.00 -1.45 0.00 0.00 42.92 39.02 1jtx s ASP 144 CO 0.00 -0.97 1.22 0.58 0.13 0.00 0.00 175.17 176.13 1jtx h VAL 145 N 5.88 0.74 -0.90 1.11 2.07 -2.00 -3.10 116.25 120.06 1jtx h VAL 145 Ca -0.29 -0.64 0.18 0.00 0.82 0.00 0.00 66.70 66.77 1jtx h VAL 145 Cb 1.09 1.08 -0.17 0.00 -1.52 0.00 0.00 31.29 31.77 1jtx h VAL 145 CO 1.03 0.13 -0.22 0.78 0.02 0.00 0.00 177.57 179.31 1jtx h ASN 146 N -0.73 -0.82 0.34 0.57 4.21 -1.96 0.71 115.58 117.89 1jtx h ASN 146 Ca -0.04 0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.74 1jtx h ASN 146 Cb 0.49 0.55 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 1jtx h ASN 146 CO 0.06 -0.30 -0.40 0.00 -1.29 0.00 0.00 177.43 175.51 1jtx h ALA 147 N 1.90 -0.83 -0.67 -0.83 0.00 -1.97 -0.02 119.26 116.83 1jtx h ALA 147 Ca 0.44 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1jtx h ALA 147 Cb 0.67 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1jtx h ALA 147 CO -0.92 -1.01 0.41 0.28 0.00 0.00 0.00 179.25 178.01 1jtx h VAL 148 N -0.77 1.06 -0.36 0.00 2.07 -0.82 0.13 116.25 117.57 1jtx h VAL 148 Ca -0.02 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1jtx h VAL 148 Cb 0.71 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1jtx h VAL 148 CO -0.10 0.15 -0.03 0.28 0.02 0.00 0.00 177.57 177.89 1jtx h SER 149 N 0.80 -0.20 -0.39 0.57 0.02 0.68 0.37 113.55 115.40 1jtx h SER 149 Ca 0.28 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.27 1jtx h SER 149 Cb 0.05 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1jtx h SER 149 CO -0.12 -0.06 0.08 0.11 -1.14 0.00 0.00 176.83 175.70 1jtx h LYS 150 N 0.07 0.63 -0.62 3.45 1.57 -0.17 0.21 116.57 121.71 1jtx h LYS 150 Ca 0.17 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1jtx h LYS 150 Cb 0.25 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1jtx h LYS 150 CO -0.32 0.68 0.28 0.82 -0.57 0.00 0.00 179.45 180.34 1jtx h ILE 151 N 0.49 0.84 0.75 1.86 1.08 -0.23 -0.59 117.51 121.71 1jtx h ILE 151 Ca 0.12 -0.17 -0.04 0.00 -0.39 0.00 0.00 64.86 64.38 1jtx h ILE 151 Cb 0.34 0.30 0.01 0.00 -3.07 0.00 0.00 36.82 34.40 1jtx h ILE 151 CO 0.00 0.09 -0.36 0.00 -0.69 0.00 0.00 178.15 177.19 1jtx h ALA 152 N 1.39 -1.16 -0.95 1.87 0.00 0.07 0.62 119.26 121.11 1jtx h ALA 152 Ca 0.30 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1jtx h ALA 152 Cb 0.32 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1jtx h ALA 152 CO -0.26 -1.09 0.57 0.00 0.00 0.00 0.00 179.25 178.47 1jtx h ALA 153 N -1.44 1.45 0.00 0.00 0.00 -0.51 0.04 119.26 118.80 1jtx h ALA 153 Ca -0.10 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1jtx h ALA 153 Cb 0.77 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jtx h ALA 153 CO 0.17 0.09 -0.99 -0.91 0.00 0.00 0.00 179.25 177.60 1jtx h ASN 154 N 0.85 0.72 0.10 0.00 -0.26 -1.10 -1.97 115.58 113.91 1jtx h ASN 154 Ca 0.49 -0.58 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1jtx h ASN 154 Cb 0.59 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1jtx h ASN 154 CO -0.31 1.38 -0.05 0.00 -1.06 0.00 0.00 177.43 177.40 1jtx h ALA 155 N 0.57 -0.13 -0.11 -0.83 0.00 -0.42 -1.29 119.26 117.05 1jtx h ALA 155 Ca -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1jtx h ALA 155 Cb 1.64 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1jtx h ALA 155 CO 0.18 -0.42 -0.03 0.28 0.00 0.00 0.00 179.25 179.26 1jtx h VAL 156 N -0.44 0.87 -0.74 0.00 2.07 -1.07 -1.06 116.25 115.88 1jtx h VAL 156 Ca -0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.68 1jtx h VAL 156 Cb 0.37 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1jtx h VAL 156 CO 0.02 0.00 0.51 -1.13 0.02 0.00 0.00 177.57 176.99 1jtx h ASN 157 N -0.01 0.25 -0.42 0.57 -0.73 -1.31 0.34 115.58 114.27 1jtx h ASN 157 Ca 0.06 0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.10 1jtx h ASN 157 Cb 0.10 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.65 1jtx h ASN 157 CO -0.12 0.12 -0.29 1.23 -0.37 0.00 0.00 177.43 178.00 1jtx h GLY 158 N 0.26 1.01 0.82 1.57 0.00 0.02 -0.52 103.07 106.24 1jtx h GLY 158 Ca 0.36 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1jtx h GLY 158 CO -0.09 0.88 -0.02 -2.22 0.00 0.00 0.00 176.54 175.09 1jtx h ILE 159 N 0.76 1.27 0.52 2.60 2.04 0.07 0.17 117.51 124.94 1jtx h ILE 159 Ca 0.08 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1jtx h ILE 159 Cb 0.88 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1jtx h ILE 159 CO 0.08 0.29 -0.32 0.58 0.00 0.00 0.00 178.15 178.79 1jtx h VAL 160 N 0.14 0.35 0.00 1.67 2.07 -0.78 -3.01 116.25 116.69 1jtx h VAL 160 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1jtx h VAL 160 Cb 0.45 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1jtx h VAL 160 CO 0.02 0.00 0.00 0.71 0.02 0.00 0.00 177.57 178.32 1jtx h THR 161 N -0.79 0.00 -0.53 2.57 1.35 -1.10 -3.32 112.91 111.09 1jtx h THR 161 Ca -0.06 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1jtx h THR 161 Cb 0.64 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1jtx h THR 161 CO 0.07 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.83 1jtx n PHE 162 N -3.00 1.07 -2.03 4.73 3.01 0.58 -4.40 117.46 117.43 1jtx n PHE 162 Ca 0.03 -0.61 0.03 0.00 1.01 0.00 0.00 57.45 57.91 1jtx n PHE 162 Cb 0.45 -0.16 0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1jtx n PHE 162 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jtx n THR 163 N 0.81 0.35 0.22 4.37 -2.24 -1.14 -4.87 114.28 111.78 1jtx n THR 163 Ca 0.21 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.24 1jtx n THR 163 Cb 0.73 0.53 0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1jtx n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jtx n HIS 164 N -0.07 0.00 -0.06 4.78 -0.00 -1.26 -3.16 115.22 115.45 1jtx n HIS 164 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.62 1jtx n HIS 164 Cb 0.83 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.68 1jtx n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jtx n GLU 165 N -0.66 0.69 -1.87 1.57 0.00 -1.26 -5.03 120.64 114.08 1jtx n GLU 165 Ca 0.01 0.18 -0.12 0.00 0.00 0.00 0.00 57.16 57.23 1jtx n GLU 165 Cb 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 31.44 29.86 1jtx n GLU 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jtx n GLN 166 N -3.16 0.39 -1.64 3.44 10.64 -1.19 -5.01 117.38 120.86 1jtx n GLN 166 Ca -0.32 -1.63 -0.52 0.00 -1.83 0.00 0.00 57.00 52.70 1jtx n GLN 166 Cb 1.06 -0.30 -0.06 0.00 -0.86 0.00 0.00 30.24 30.08 1jtx n GLN 166 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1jtx n ASN 167 N -2.84 2.79 0.02 2.61 4.05 -1.26 -4.81 115.26 115.82 1jtx n ASN 167 Ca 0.09 0.87 0.01 0.00 0.45 0.00 0.00 54.58 56.00 1jtx n ASN 167 Cb 0.34 -1.27 0.06 0.00 1.23 0.00 0.00 39.78 40.14 1jtx n ASN 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jtx n ILE 168 N 5.48 1.45 0.06 -1.44 3.06 -1.26 0.41 119.36 127.12 1jtx n ILE 168 Ca 0.28 0.53 -0.23 0.00 -2.50 0.00 0.00 62.75 60.84 1jtx n ILE 168 Cb 0.22 -1.53 -0.15 0.00 0.54 0.00 0.00 39.64 38.72 1jtx n ILE 168 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 1jtx h ASN 169 N 0.00 0.60 -0.43 9.51 2.35 -1.99 -2.13 115.58 123.49 1jtx h ASN 169 Ca 0.00 -0.94 -0.02 0.00 -0.55 0.00 0.00 56.30 54.78 1jtx h ASN 169 Cb 0.24 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1jtx h ASN 169 CO 0.00 1.80 0.17 -0.08 -1.65 0.00 0.00 177.43 177.67 1jtx h GLU 170 N 0.09 0.64 -0.32 0.81 4.22 -0.41 0.13 114.58 119.74 1jtx h GLU 170 Ca -0.35 -0.11 0.07 0.00 0.08 0.00 0.00 59.36 59.04 1jtx h GLU 170 Cb 2.09 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 31.15 1jtx h GLU 170 CO 0.17 0.59 -0.24 0.00 -2.18 0.00 0.00 179.01 177.34 1jtx h ARG 171 N 0.55 -0.20 0.00 1.92 3.08 -1.11 0.25 114.38 118.86 1jtx h ARG 171 Ca 0.14 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1jtx h ARG 171 Cb 0.19 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1jtx h ARG 171 CO -0.01 -0.14 -0.22 0.82 -1.07 0.00 0.00 179.97 179.36 1jtx h ILE 172 N -0.21 0.99 0.02 2.04 2.04 -0.75 -0.41 117.51 121.23 1jtx h ILE 172 Ca 0.16 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1jtx h ILE 172 Cb 0.47 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1jtx h ILE 172 CO -0.45 0.21 -0.01 0.50 0.00 0.00 0.00 178.15 178.40 1jtx h LYS 173 N 0.00 -0.03 -0.60 2.37 3.64 0.16 -2.40 116.57 119.71 1jtx h LYS 173 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1jtx h LYS 173 Cb 0.42 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1jtx h LYS 173 CO 0.03 0.45 0.30 -0.07 -2.27 0.00 0.00 179.45 177.88 1jtx h LEU 174 N -0.52 0.77 -2.25 5.20 3.38 -0.45 -1.27 115.31 120.18 1jtx h LEU 174 Ca -0.00 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1jtx h LEU 174 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jtx h LEU 174 CO 0.01 0.68 0.16 -0.03 0.09 0.00 0.00 178.44 179.34 1jtx h MET 175 N 0.82 0.00 0.00 1.13 4.05 -1.04 -0.21 114.93 119.68 1jtx h MET 175 Ca 0.21 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.43 1jtx h MET 175 Cb 0.10 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.87 1jtx h MET 175 CO -0.03 0.00 -1.39 -0.91 0.23 0.00 0.00 176.91 174.81 1jtx h ASN 176 N 0.00 0.00 -0.10 1.39 -0.26 -0.74 -2.53 115.58 113.35 1jtx h ASN 176 Ca 0.07 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.68 1jtx h ASN 176 Cb 0.39 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1jtx h ASN 176 CO -0.00 0.70 -0.38 0.50 -1.06 0.00 0.00 177.43 177.19 1jtx h LYS 177 N 0.00 0.61 0.47 0.81 3.11 -0.26 -2.31 116.57 119.00 1jtx h LYS 177 Ca -0.17 -0.30 -0.02 0.00 -2.81 0.00 0.00 60.65 57.34 1jtx h LYS 177 Cb 1.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.92 1jtx h LYS 177 CO 0.06 0.89 -0.22 0.35 -2.81 0.00 0.00 179.45 177.72 1jtx h PHE 178 N 0.51 -0.58 -0.92 1.91 3.57 -1.14 -1.39 116.94 118.90 1jtx h PHE 178 Ca 0.05 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.73 1jtx h PHE 178 Cb 0.89 0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1jtx h PHE 178 CO 0.04 -0.26 0.60 0.77 -2.23 0.00 0.00 178.31 177.23 1jtx h SER 179 N -0.90 0.51 0.78 0.41 0.02 -1.41 0.37 113.55 113.32 1jtx h SER 179 Ca -0.06 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1jtx h SER 179 Cb 0.58 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.08 1jtx h SER 179 CO 0.10 0.21 -0.38 -0.61 -1.14 0.00 0.00 176.83 175.02 1jtx h GLN 180 N 0.51 -1.01 -0.46 3.45 4.15 -1.22 -0.21 115.11 120.32 1jtx h GLN 180 Ca 0.49 0.07 0.09 0.00 0.77 0.00 0.00 58.65 60.07 1jtx h GLN 180 Cb 1.05 0.23 -0.10 0.00 0.21 0.00 0.00 27.48 28.87 1jtx h GLN 180 CO -0.22 -0.67 -0.27 0.82 -1.93 0.00 0.00 178.83 176.57 1jtx h ILE 181 N -1.26 0.28 0.30 2.39 1.08 -0.13 0.41 117.51 120.59 1jtx h ILE 181 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1jtx h ILE 181 Cb 0.81 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1jtx h ILE 181 CO 0.18 0.00 -0.48 0.15 -0.69 0.00 0.00 178.15 177.30 1jtx h PHE 182 N -0.17 -1.36 -0.40 1.37 3.57 -0.27 0.19 116.94 119.86 1jtx h PHE 182 Ca 0.21 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jtx h PHE 182 Cb 0.50 0.55 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1jtx h PHE 182 CO -0.52 -0.61 0.24 -0.07 -2.23 0.00 0.00 178.31 175.12 1jtx h LEU 183 N -0.84 0.47 -0.43 0.59 3.38 -0.39 -0.39 115.31 117.71 1jtx h LEU 183 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jtx h LEU 183 Cb 0.79 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1jtx h LEU 183 CO -0.17 0.37 0.21 -1.13 0.09 0.00 0.00 178.44 177.80 1jtx h ASN 184 N 0.55 0.57 -0.07 -0.43 -1.24 0.49 -2.37 115.58 113.08 1jtx h ASN 184 Ca 0.15 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.05 1jtx h ASN 184 Cb -0.02 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 38.88 1jtx h ASN 184 CO -0.03 0.53 0.20 1.23 -1.29 0.00 0.00 177.43 178.08 1jtx h GLY 185 N 0.56 0.00 1.80 1.57 0.00 0.11 -2.93 103.07 104.18 1jtx h GLY 185 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.25 1jtx h GLY 185 CO -0.02 0.00 -1.03 1.41 0.00 0.00 0.00 176.54 176.90 1jtx h LEU 186 N 0.00 0.23 0.00 3.11 3.38 -1.18 -3.51 115.31 117.34 1jtx h LEU 186 Ca 0.03 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1jtx h LEU 186 Cb 0.43 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jtx h LEU 186 CO -0.00 1.11 0.00 -1.54 0.09 0.00 0.00 178.44 178.10