#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtx h LEU 3 N 0.00 0.00 0.25 -4.53 3.38 -1.99 0.31 115.31 112.73 1jtx h LEU 3 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jtx h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jtx h LEU 3 CO 0.00 0.00 -0.12 0.50 0.09 0.00 0.00 178.44 178.91 1jtx h LYS 4 N 0.00 -0.32 -0.69 1.13 3.64 -1.98 0.43 116.57 118.78 1jtx h LYS 4 Ca 0.03 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1jtx h LYS 4 Cb 0.19 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1jtx h LYS 4 CO -0.00 -0.20 0.22 -0.44 -2.27 0.00 0.00 179.45 176.76 1jtx h ASP 5 N -0.35 0.98 -0.36 4.20 3.45 -1.42 -0.67 116.42 122.26 1jtx h ASP 5 Ca -0.03 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 1jtx h ASP 5 Cb 0.27 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1jtx h ASP 5 CO 0.06 0.91 0.07 0.11 -1.57 0.00 0.00 179.24 178.82 1jtx h LYS 6 N 1.01 0.67 0.07 3.56 1.57 -1.06 -1.39 116.57 121.01 1jtx h LYS 6 Ca 0.23 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jtx h LYS 6 Cb 0.27 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jtx h LYS 6 CO -0.01 0.63 -0.03 0.82 -0.57 0.00 0.00 179.45 180.29 1jtx h ILE 7 N 0.64 1.14 -0.95 1.86 2.04 -0.10 -1.69 117.51 120.45 1jtx h ILE 7 Ca 0.14 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1jtx h ILE 7 Cb 0.29 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 1jtx h ILE 7 CO 0.00 0.18 0.61 -0.07 0.00 0.00 0.00 178.15 178.88 1jtx h LEU 8 N -0.43 0.96 0.48 1.44 3.38 -1.02 0.27 115.31 120.38 1jtx h LEU 8 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jtx h LEU 8 Cb 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jtx h LEU 8 CO 0.02 0.61 -0.23 1.23 0.09 0.00 0.00 178.44 180.15 1jtx h GLY 9 N 1.08 -0.68 1.00 0.83 0.00 -1.14 0.08 103.07 104.25 1jtx h GLY 9 Ca 0.41 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 1jtx h GLY 9 CO -0.16 -0.25 0.35 -2.08 0.00 0.00 0.00 176.54 174.41 1jtx h VAL 10 N -0.85 1.22 0.04 4.60 2.07 -1.15 -1.28 116.25 120.90 1jtx h VAL 10 Ca -0.07 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1jtx h VAL 10 Cb 0.58 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1jtx h VAL 10 CO 0.11 0.25 -0.07 0.00 0.02 0.00 0.00 177.57 177.88 1jtx h ALA 11 N 1.17 -0.11 -0.63 1.67 0.00 -0.45 -0.17 119.26 120.74 1jtx h ALA 11 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1jtx h ALA 11 Cb 0.07 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1jtx h ALA 11 CO -0.03 -0.58 0.35 -0.22 0.00 0.00 0.00 179.25 178.77 1jtx h LYS 12 N -0.14 0.63 -0.69 0.00 3.64 -0.65 -0.72 116.57 118.64 1jtx h LYS 12 Ca 0.02 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1jtx h LYS 12 Cb 0.16 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1jtx h LYS 12 CO -0.05 0.42 0.14 0.93 -2.27 0.00 0.00 179.45 178.62 1jtx h GLU 13 N 0.65 1.12 -0.28 1.90 4.39 -0.90 -1.40 114.58 120.06 1jtx h GLU 13 Ca 0.28 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1jtx h GLU 13 Cb 0.16 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1jtx h GLU 13 CO -0.17 1.00 0.07 -0.07 -1.16 0.00 0.00 179.01 178.69 1jtx h LEU 14 N 1.05 0.41 -0.71 1.33 3.38 -0.48 0.77 115.31 121.06 1jtx h LEU 14 Ca 0.21 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1jtx h LEU 14 Cb 0.41 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1jtx h LEU 14 CO 0.01 0.52 0.41 -0.26 0.09 0.00 0.00 178.44 179.22 1jtx h PHE 15 N 0.28 0.77 -0.44 1.13 0.05 -1.01 0.71 116.94 118.42 1jtx h PHE 15 Ca 0.09 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.89 1jtx h PHE 15 Cb 0.27 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.96 1jtx h PHE 15 CO 0.01 0.38 0.24 0.82 -0.18 0.00 0.00 178.31 179.58 1jtx h ILE 16 N 0.77 1.16 -0.15 -0.55 2.04 -0.76 0.25 117.51 120.27 1jtx h ILE 16 Ca 0.31 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 1jtx h ILE 16 Cb 0.15 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1jtx h ILE 16 CO -0.17 0.17 -0.25 0.50 0.00 0.00 0.00 178.15 178.40 1jtx h LYS 17 N 0.57 0.43 0.00 2.37 3.64 0.08 -3.38 116.57 120.28 1jtx h LYS 17 Ca 0.15 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1jtx h LYS 17 Cb 0.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jtx h LYS 17 CO -0.02 0.86 -1.38 0.09 -2.27 0.00 0.00 179.45 176.73 1jtx n ASN 18 N -4.44 1.18 0.00 4.20 5.03 0.24 -5.09 115.26 116.38 1jtx n ASN 18 Ca -0.06 -0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.10 1jtx n ASN 18 Cb 0.44 1.48 0.00 0.00 -1.02 0.00 0.00 39.78 40.68 1jtx n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jtx n GLY 19 N 1.53 -3.04 0.09 7.41 0.00 0.87 -4.42 105.19 107.63 1jtx n GLY 19 Ca -0.01 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 1jtx n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jtx h TYR 20 N 0.00 0.24 0.50 1.61 3.20 -1.79 -3.33 116.97 117.40 1jtx h TYR 20 Ca 0.00 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 1jtx h TYR 20 Cb 0.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1jtx h TYR 20 CO 0.00 1.12 -0.24 -0.91 -1.64 0.00 0.00 178.16 176.49 1jtx h ASN 21 N -0.71 -0.57 0.00 -2.11 2.35 -1.92 -2.78 115.58 109.84 1jtx h ASN 21 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1jtx h ASN 21 Cb 1.26 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1jtx h ASN 21 CO 0.07 -0.38 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 1jtx n ALA 22 N -2.40 1.89 -2.73 -0.83 0.00 -1.26 -4.51 120.51 110.67 1jtx n ALA 22 Ca -0.12 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 1jtx n ALA 22 Cb 0.29 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.00 4.82 0.09 0.00 2.01 -1.05 -5.00 115.64 114.50 1jtx s THR 23 Ca 0.16 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1jtx s THR 23 Cb 0.07 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1jtx s THR 23 CO 0.12 -0.09 0.11 0.42 -0.69 0.00 0.00 174.62 174.49 1jtx s THR 24 N 1.63 4.66 0.52 -0.82 -4.23 -1.26 -4.99 115.64 111.15 1jtx s THR 24 Ca 0.04 -0.74 0.34 0.00 -1.18 0.00 0.00 61.69 60.15 1jtx s THR 24 Cb -0.18 -3.27 0.53 0.00 1.34 0.00 0.00 72.50 70.92 1jtx s THR 24 CO 0.08 0.10 1.80 0.00 -0.54 0.00 0.00 174.62 176.06 1jtx h THR 25 N 2.43 0.42 0.57 3.99 1.03 -1.98 -2.57 112.91 116.81 1jtx h THR 25 Ca -0.47 -0.02 -0.03 0.00 -0.01 0.00 0.00 66.41 65.89 1jtx h THR 25 Cb 1.17 0.36 0.01 0.00 -1.07 0.00 0.00 68.15 68.62 1jtx h THR 25 CO 0.67 0.01 -0.27 1.23 -0.01 0.00 0.00 175.52 177.15 1jtx h GLY 26 N 0.05 -0.80 0.16 2.99 0.00 -1.99 -2.31 103.07 101.17 1jtx h GLY 26 Ca 0.57 0.30 0.12 0.00 0.00 0.00 0.00 47.33 48.32 1jtx h GLY 26 CO -0.05 -0.29 0.18 -2.09 0.00 0.00 0.00 176.54 174.29 1jtx h GLU 27 N -1.14 0.30 -0.46 4.80 4.81 -1.87 1.28 114.58 122.29 1jtx h GLU 27 Ca -0.08 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1jtx h GLU 27 Cb 0.63 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 1jtx h GLU 27 CO 0.13 0.20 -0.15 0.82 -0.73 0.00 0.00 179.01 179.28 1jtx h ILE 28 N 0.31 0.47 -0.16 2.32 2.04 -1.46 0.78 117.51 121.81 1jtx h ILE 28 Ca 0.35 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.18 1jtx h ILE 28 Cb 0.53 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1jtx h ILE 28 CO -0.41 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.32 1jtx h VAL 29 N -0.04 1.26 0.00 1.67 2.07 -0.37 -2.18 116.25 118.64 1jtx h VAL 29 Ca 0.22 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1jtx h VAL 29 Cb 0.39 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1jtx h VAL 29 CO -0.50 0.25 0.06 1.17 0.02 0.00 0.00 177.57 178.58 1jtx n LYS 30 N -4.74 0.13 0.00 1.57 3.00 0.42 -1.88 118.16 116.65 1jtx n LYS 30 Ca -0.05 0.62 0.02 0.00 -0.00 0.00 0.00 58.31 58.90 1jtx n LYS 30 Cb 0.22 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.27 1jtx n LYS 30 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1jtx n LEU 31 N -2.20 0.91 -0.74 3.14 4.77 0.15 -4.51 117.00 118.51 1jtx n LEU 31 Ca -0.01 -0.81 0.08 0.00 -0.03 0.00 0.00 56.01 55.23 1jtx n LEU 31 Cb 0.09 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 1jtx n LEU 31 CO 0.09 0.20 0.67 -1.54 -1.33 0.00 0.00 177.39 175.48 1jtx n SER 32 N -0.26 3.45 -4.12 -1.43 3.41 -0.79 -4.95 113.62 108.92 1jtx n SER 32 Ca 0.02 -2.69 -0.32 0.00 -0.26 0.00 0.00 58.87 55.62 1jtx n SER 32 Cb 0.09 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.27 -1.58 -0.79 4.33 1.02 -1.09 -4.86 120.64 117.41 1jtx n GLU 33 Ca 0.17 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 1jtx n GLU 33 Cb 0.72 -3.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.40 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 -2.79 1.31 -4.04 1.62 2.88 -1.05 -5.09 113.62 106.46 1jtx n SER 34 Ca -0.27 -0.39 -0.15 0.00 -1.33 0.00 0.00 58.87 56.72 1jtx n SER 34 Cb 0.67 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.21 0.90 0.33 -3.46 1.04 -1.26 -4.72 113.70 106.74 1jtx s SER 35 Ca 0.00 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.10 1jtx s SER 35 Cb 0.00 -0.02 0.73 0.00 0.10 0.00 0.00 66.02 66.83 1jtx s SER 35 CO 0.00 -0.08 1.85 0.11 0.98 0.00 0.00 173.24 176.10 1jtx h LYS 36 N 5.05 0.77 0.27 4.02 1.57 -1.95 0.18 116.57 126.49 1jtx h LYS 36 Ca -0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1jtx h LYS 36 Cb 1.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1jtx h LYS 36 CO 0.44 0.51 -0.26 0.78 -0.57 0.00 0.00 179.45 180.35 1jtx h GLY 37 N 0.80 -0.99 0.24 3.86 0.00 -2.00 -1.75 103.07 103.24 1jtx h GLY 37 Ca 0.47 0.45 0.14 0.00 0.00 0.00 0.00 47.33 48.38 1jtx h GLY 37 CO -0.23 -0.32 0.38 -0.57 0.00 0.00 0.00 176.54 175.80 1jtx h ASN 38 N -0.53 0.43 0.50 0.19 -1.24 -1.72 -2.30 115.58 110.91 1jtx h ASN 38 Ca -0.03 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1jtx h ASN 38 Cb 0.46 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1jtx h ASN 38 CO -0.03 0.19 -0.49 0.25 -1.29 0.00 0.00 177.43 176.06 1jtx h LEU 39 N 0.56 -1.34 -1.58 0.34 6.46 -0.55 -2.67 115.31 116.53 1jtx h LEU 39 Ca 0.43 0.11 0.23 0.00 -0.12 0.00 0.00 57.88 58.53 1jtx h LEU 39 Cb 0.59 0.44 -0.07 0.00 -0.73 0.00 0.00 40.66 40.90 1jtx h LEU 39 CO -0.36 -0.66 0.63 1.88 -0.62 0.00 0.00 178.44 179.32 1jtx h TYR 40 N -0.99 0.45 0.76 1.25 0.05 -0.79 -1.31 116.97 116.39 1jtx h TYR 40 Ca -0.06 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1jtx h TYR 40 Cb 0.86 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.47 1jtx h TYR 40 CO -0.25 0.10 -0.36 -0.92 -1.05 0.00 0.00 178.16 175.68 1jtx h TYR 41 N 0.32 -0.94 -0.74 4.88 3.20 -1.09 -3.26 116.97 119.34 1jtx h TYR 41 Ca 0.49 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.34 1jtx h TYR 41 Cb 1.37 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.92 1jtx h TYR 41 CO -0.00 -0.57 0.48 0.45 -1.64 0.00 0.00 178.16 176.88 1jtx h HIS 42 N -1.12 0.95 -3.20 -3.82 3.86 -1.17 -3.40 115.15 107.24 1jtx h HIS 42 Ca -0.10 0.01 -0.62 0.00 -1.16 0.00 0.00 60.37 58.50 1jtx h HIS 42 Cb 0.80 -0.32 -0.35 0.00 1.06 0.00 0.00 27.41 28.60 1jtx h HIS 42 CO -0.01 0.61 -0.85 -0.06 0.86 0.00 0.00 177.93 178.49 1jtx s PHE 43 N -6.08 2.28 0.31 2.45 0.40 -0.57 -5.03 117.98 111.74 1jtx s PHE 43 Ca -0.13 -1.16 0.00 0.00 -0.60 0.00 0.00 56.93 55.04 1jtx s PHE 43 Cb 0.15 -1.61 0.53 0.00 0.51 0.00 0.00 43.02 42.59 1jtx s PHE 43 CO 0.78 -0.58 1.95 1.57 0.70 0.00 0.00 175.22 179.64 1jtx h LYS 44 N 7.55 0.99 -4.04 0.44 2.10 -1.78 -3.33 116.57 118.50 1jtx h LYS 44 Ca -0.34 -0.06 -0.19 0.00 -2.00 0.00 0.00 60.65 58.06 1jtx h LYS 44 Cb 1.17 -0.22 -0.10 0.00 -0.90 0.00 0.00 32.23 32.18 1jtx h LYS 44 CO 0.53 0.66 -0.25 0.95 -2.00 0.00 0.00 179.45 179.34 1jtx s THR 45 N -5.88 0.00 0.07 0.07 -4.23 -1.26 -4.88 115.64 99.53 1jtx s THR 45 Ca -0.11 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1jtx s THR 45 Cb 0.19 -2.45 -0.18 0.00 1.34 0.00 0.00 72.50 71.40 1jtx s THR 45 CO 0.79 0.00 1.60 0.50 -0.54 0.00 0.00 174.62 176.97 1jtx h LYS 46 N 2.26 -0.67 -0.87 3.99 3.64 -1.99 -1.29 116.57 121.63 1jtx h LYS 46 Ca -0.29 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.34 1jtx h LYS 46 Cb 1.25 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 33.10 1jtx h LYS 46 CO 0.40 -0.43 0.39 0.93 -2.27 0.00 0.00 179.45 178.47 1jtx h GLU 47 N -0.74 0.43 -0.00 1.90 3.07 -1.98 0.47 114.58 117.72 1jtx h GLU 47 Ca -0.07 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 1jtx h GLU 47 Cb 0.55 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1jtx h GLU 47 CO 0.12 0.29 -0.47 -0.97 -1.40 0.00 0.00 179.01 176.57 1jtx h ASN 48 N 0.44 0.01 0.05 1.42 -1.24 -1.89 -0.80 115.58 113.57 1jtx h ASN 48 Ca 0.53 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.53 1jtx h ASN 48 Cb 0.94 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1jtx h ASN 48 CO -0.49 0.48 -0.03 0.25 -1.29 0.00 0.00 177.43 176.36 1jtx h LEU 49 N 0.01 -0.06 -1.24 0.34 5.85 0.99 -2.29 115.31 118.91 1jtx h LEU 49 Ca -0.00 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.44 1jtx h LEU 49 Cb 0.84 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 1jtx h LEU 49 CO 0.06 0.35 0.56 0.15 -0.34 0.00 0.00 178.44 179.23 1jtx h PHE 50 N -0.49 0.90 -0.27 1.25 3.04 -0.61 -1.13 116.94 119.64 1jtx h PHE 50 Ca -0.01 0.02 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1jtx h PHE 50 Cb 0.44 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1jtx h PHE 50 CO 0.06 0.41 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.37 1jtx h LEU 51 N 0.83 0.58 -0.89 0.59 3.38 -1.02 -0.60 115.31 118.19 1jtx h LEU 51 Ca 0.40 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1jtx h LEU 51 Cb 0.44 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jtx h LEU 51 CO -0.17 0.87 -0.54 -0.33 0.09 0.00 0.00 178.44 178.36 1jtx h GLU 52 N 0.48 0.00 0.04 1.13 5.08 -0.65 -1.95 114.58 118.72 1jtx h GLU 52 Ca 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1jtx h GLU 52 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1jtx h GLU 52 CO 0.07 0.54 -0.02 0.82 -1.00 0.00 0.00 179.01 179.41 1jtx h ILE 53 N 0.00 1.25 -0.91 3.13 2.04 -0.98 -2.28 117.51 119.77 1jtx h ILE 53 Ca -0.01 -0.98 0.17 0.00 1.00 0.00 0.00 64.86 65.04 1jtx h ILE 53 Cb 0.98 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1jtx h ILE 53 CO 0.07 0.25 0.59 -0.07 0.00 0.00 0.00 178.15 178.98 1jtx h LEU 54 N -0.49 0.59 0.57 1.44 4.07 -1.00 -0.05 115.31 120.45 1jtx h LEU 54 Ca -0.01 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1jtx h LEU 54 Cb 0.45 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.13 1jtx h LEU 54 CO 0.01 0.27 -0.27 0.78 -1.08 0.00 0.00 178.44 178.14 1jtx h ASN 55 N 0.61 -0.65 -0.26 -0.43 4.21 -1.21 -2.08 115.58 115.76 1jtx h ASN 55 Ca 0.47 -0.04 0.06 0.00 1.21 0.00 0.00 56.30 58.01 1jtx h ASN 55 Cb 0.88 0.17 -0.07 0.00 -1.12 0.00 0.00 38.32 38.18 1jtx h ASN 55 CO -0.22 -0.29 -0.23 0.40 -1.29 0.00 0.00 177.43 175.80 1jtx h ILE 56 N -1.06 0.41 -0.36 2.81 2.04 -0.80 -0.97 117.51 119.57 1jtx h ILE 56 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1jtx h ILE 56 Cb 0.65 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 1jtx h ILE 56 CO 0.13 0.00 -0.45 -0.33 0.00 0.00 0.00 178.15 177.49 1jtx h GLU 57 N -0.22 -0.36 -0.47 2.37 4.39 -1.02 0.16 114.58 119.42 1jtx h GLU 57 Ca 0.14 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.93 1jtx h GLU 57 Cb 0.45 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.12 1jtx h GLU 57 CO -0.40 -0.24 0.15 1.05 -1.16 0.00 0.00 179.01 178.41 1jtx h GLU 58 N -0.37 0.30 -0.09 2.33 -0.00 -0.70 -0.77 114.58 115.28 1jtx h GLU 58 Ca 0.11 -0.02 0.03 0.00 -0.00 0.00 0.00 59.36 59.48 1jtx h GLU 58 Cb 0.60 -0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.25 1jtx h GLU 58 CO -0.55 0.20 -0.08 1.03 -0.00 0.00 0.00 179.01 179.61 1jtx h SER 59 N 0.31 -0.24 -0.60 3.06 0.87 -0.02 0.20 113.55 117.13 1jtx h SER 59 Ca 0.23 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.91 1jtx h SER 59 Cb 0.25 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1jtx h SER 59 CO -0.25 -0.11 0.40 0.11 -0.53 0.00 0.00 176.83 176.45 1jtx h LYS 60 N -0.09 0.51 -0.17 2.24 1.79 -0.27 -1.74 116.57 118.84 1jtx h LYS 60 Ca 0.06 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.29 1jtx h LYS 60 Cb 0.18 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1jtx h LYS 60 CO -0.15 0.34 -0.71 2.35 -1.08 0.00 0.00 179.45 180.20 1jtx h TRP 61 N 0.53 1.04 -0.51 -1.35 -0.00 0.28 -1.86 115.95 114.07 1jtx h TRP 61 Ca 0.26 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.89 58.67 1jtx h TRP 61 Cb 0.35 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.32 1jtx h TRP 61 CO -0.00 1.28 0.17 1.96 -0.00 0.00 0.00 178.44 181.85 1jtx h GLN 62 N 0.51 0.78 -0.13 2.65 4.20 -0.02 -1.22 115.11 121.89 1jtx h GLN 62 Ca -0.04 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1jtx h GLN 62 Cb 1.34 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1jtx h GLN 62 CO 0.15 0.71 0.07 1.49 -0.67 0.00 0.00 178.83 180.58 1jtx h GLU 63 N 0.69 0.15 -0.68 1.46 4.57 -1.35 0.11 114.58 119.52 1jtx h GLU 63 Ca 0.17 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1jtx h GLU 63 Cb 0.25 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1jtx h GLU 63 CO -0.01 0.10 0.37 0.37 -1.18 0.00 0.00 179.01 178.66 1jtx h GLN 64 N 0.15 0.95 -0.20 1.92 4.15 -1.22 -1.53 115.11 119.33 1jtx h GLN 64 Ca 0.05 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1jtx h GLN 64 Cb -0.01 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1jtx h GLN 64 CO -0.02 0.70 -0.41 2.35 -1.93 0.00 0.00 178.83 179.52 1jtx h TRP 65 N 0.95 0.56 -0.05 3.99 -0.00 -0.55 -2.04 115.95 118.81 1jtx h TRP 65 Ca 0.24 -0.16 -0.00 0.00 -0.00 0.00 0.00 58.89 58.97 1jtx h TRP 65 Cb 0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 29.16 29.07 1jtx h TRP 65 CO 0.01 0.81 0.02 -0.22 -0.00 0.00 0.00 178.44 179.06 1jtx h LYS 66 N 0.39 0.06 0.00 2.65 3.64 0.04 -0.75 116.57 122.60 1jtx h LYS 66 Ca 0.03 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jtx h LYS 66 Cb 0.89 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1jtx h LYS 66 CO 0.08 0.15 -0.14 0.87 -2.27 0.00 0.00 179.45 178.13 1jtx h LYS 67 N -0.03 0.00 0.01 1.90 1.57 -1.25 -3.30 116.57 115.46 1jtx h LYS 67 Ca 0.02 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.47 1jtx h LYS 67 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 1jtx h LYS 67 CO -0.00 0.14 -1.96 -1.91 -0.57 0.00 0.00 179.45 175.15 1jtx n GLU 68 N -3.31 0.66 0.23 3.15 4.07 -0.77 -4.29 120.64 120.37 1jtx n GLU 68 Ca 0.00 0.20 0.07 0.00 -0.06 0.00 0.00 57.16 57.36 1jtx n GLU 68 Cb 0.38 -1.69 0.54 0.00 -0.06 0.00 0.00 31.44 30.60 1jtx n GLU 68 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1jtx h GLN 69 N 0.00 0.00 -0.55 5.31 3.07 -1.22 -1.69 115.11 120.03 1jtx h GLN 69 Ca -0.39 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.51 1jtx h GLN 69 Cb 2.09 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.62 1jtx h GLN 69 CO 0.06 0.19 0.50 0.82 0.09 0.00 0.00 178.83 180.49 1jtx h ILE 70 N 0.00 0.46 0.00 1.86 1.08 -1.75 0.18 117.51 119.34 1jtx h ILE 70 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jtx h ILE 70 Cb 0.37 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.75 1jtx h ILE 70 CO 0.03 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 177.78 1jtx n LYS 71 N -3.92 0.07 -3.94 2.37 5.02 -0.63 -4.63 118.16 112.50 1jtx n LYS 71 Ca 0.11 0.27 -0.35 0.00 -2.02 0.00 0.00 58.31 56.32 1jtx n LYS 71 Cb 0.72 -1.63 -0.14 0.00 -0.02 0.00 0.00 35.03 33.96 1jtx n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jtx s ALA 72 N -3.10 2.73 0.00 7.82 0.00 0.63 -5.04 121.76 124.81 1jtx s ALA 72 Ca 0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1jtx s ALA 72 Cb 0.11 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 1jtx s ALA 72 CO 0.36 -0.52 1.00 -0.22 0.00 0.00 0.00 175.76 176.38 1jtx h LYS 73 N 8.07 -0.00 -6.48 0.00 3.64 -1.83 -3.44 116.57 116.54 1jtx h LYS 73 Ca -0.40 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.51 1jtx h LYS 73 Cb 1.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1jtx h LYS 73 CO 0.60 -0.00 -0.22 0.95 -2.27 0.00 0.00 179.45 178.51 1jtx s THR 74 N -3.00 5.12 0.30 1.00 -4.23 -1.26 -4.98 115.64 108.59 1jtx s THR 74 Ca -0.00 -0.53 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1jtx s THR 74 Cb 0.00 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.08 1jtx s THR 74 CO 0.00 -0.53 1.78 0.78 -0.54 0.00 0.00 174.62 176.11 1jtx h ASN 75 N 0.80 0.52 -0.95 3.99 2.35 -1.92 0.20 115.58 120.57 1jtx h ASN 75 Ca -0.50 -0.14 0.23 0.00 -0.55 0.00 0.00 56.30 55.33 1jtx h ASN 75 Cb 1.22 -0.14 -0.12 0.00 0.05 0.00 0.00 38.32 39.33 1jtx h ASN 75 CO 0.61 0.68 0.50 -0.09 -1.65 0.00 0.00 177.43 177.48 1jtx h ARG 76 N 0.49 0.50 -0.02 0.81 1.12 -1.95 -1.33 114.38 113.99 1jtx h ARG 76 Ca 0.09 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1jtx h ARG 76 Cb 0.53 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 1jtx h ARG 76 CO 0.03 0.33 -0.02 0.93 -3.11 0.00 0.00 179.97 178.14 1jtx h GLU 77 N 0.51 0.04 -0.76 0.20 5.08 -1.39 -2.92 114.58 115.35 1jtx h GLU 77 Ca 0.59 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 59.06 1jtx h GLU 77 Cb 1.10 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1jtx h GLU 77 CO -0.49 0.51 0.50 0.87 -1.00 0.00 0.00 179.01 179.40 1jtx h LYS 78 N -0.43 0.50 -0.54 2.33 1.57 -0.57 0.16 116.57 119.59 1jtx h LYS 78 Ca 0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1jtx h LYS 78 Cb 0.50 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1jtx h LYS 78 CO 0.00 0.33 0.11 0.35 -0.57 0.00 0.00 179.45 179.67 1jtx h PHE 79 N 0.52 0.94 -0.18 -1.35 3.57 -1.19 0.17 116.94 119.40 1jtx h PHE 79 Ca 0.36 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1jtx h PHE 79 Cb 0.70 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1jtx h PHE 79 CO -0.00 0.82 -0.12 1.88 -2.23 0.00 0.00 178.31 178.66 1jtx h TYR 80 N 0.78 0.47 0.57 0.41 0.05 -1.02 -2.83 116.97 115.39 1jtx h TYR 80 Ca 0.17 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 1jtx h TYR 80 Cb 0.38 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1jtx h TYR 80 CO 0.03 0.73 -0.32 1.25 -1.05 0.00 0.00 178.16 178.79 1jtx h LEU 81 N 0.07 -0.80 -0.82 3.88 5.85 -0.58 -2.32 115.31 120.59 1jtx h LEU 81 Ca 0.04 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.99 1jtx h LEU 81 Cb 0.62 0.23 -0.15 0.00 0.37 0.00 0.00 40.66 41.73 1jtx h LEU 81 CO 0.03 -0.51 -0.05 0.22 -0.34 0.00 0.00 178.44 177.80 1jtx h TYR 82 N -0.82 -0.15 0.00 1.25 3.20 -0.77 0.31 116.97 119.99 1jtx h TYR 82 Ca -0.08 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1jtx h TYR 82 Cb 0.65 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1jtx h TYR 82 CO 0.00 -0.31 -0.02 -0.91 -1.64 0.00 0.00 178.16 175.28 1jtx h ASN 83 N 0.06 0.00 0.20 -2.11 -0.26 -1.33 -1.18 115.58 110.96 1jtx h ASN 83 Ca 0.45 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.86 1jtx h ASN 83 Cb 0.80 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 38.07 1jtx h ASN 83 CO -0.77 0.02 -1.58 -0.08 -1.06 0.00 0.00 177.43 173.96 1jtx h GLU 84 N 0.00 0.43 0.24 0.81 4.81 0.12 -3.32 114.58 117.66 1jtx h GLU 84 Ca -0.00 -0.73 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 1jtx h GLU 84 Cb 0.22 0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1jtx h GLU 84 CO 0.00 1.35 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.43 1jtx h LEU 85 N 0.05 -0.32 -1.62 1.64 4.07 -0.52 -1.17 115.31 117.45 1jtx h LEU 85 Ca -0.30 0.02 0.50 0.00 0.08 0.00 0.00 57.88 58.17 1jtx h LEU 85 Cb 2.07 0.09 -0.10 0.00 1.08 0.00 0.00 40.66 43.80 1jtx h LEU 85 CO 0.20 -0.22 1.12 -1.20 -1.08 0.00 0.00 178.44 177.27 1jtx n SER 86 N -5.25 0.08 0.14 -0.43 7.64 -0.51 0.17 113.62 115.46 1jtx n SER 86 Ca -0.09 1.06 0.01 0.00 1.01 0.00 0.00 58.87 60.87 1jtx n SER 86 Cb 0.17 -0.53 0.11 0.00 -1.01 0.00 0.00 64.21 62.95 1jtx n SER 86 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jtx h LEU 87 N 0.00 0.00 0.00 -3.43 3.38 -1.31 -3.38 115.31 110.57 1jtx h LEU 87 Ca 0.85 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.71 1jtx h LEU 87 Cb 3.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 43.89 1jtx h LEU 87 CO -0.18 0.57 -1.52 0.35 0.09 0.00 0.00 178.44 177.75 1jtx n THR 88 N -3.39 0.41 -1.15 0.22 -2.24 0.45 -5.04 114.28 103.54 1jtx n THR 88 Ca 0.01 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.12 1jtx n THR 88 Cb 0.69 -0.49 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1jtx n THR 88 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jtx n THR 89 N -2.17 1.11 0.69 4.28 5.66 0.57 -4.88 114.28 119.55 1jtx n THR 89 Ca -0.10 -0.39 0.11 0.00 -3.05 0.00 0.00 64.05 60.62 1jtx n THR 89 Cb 0.62 -0.56 0.13 0.00 -1.55 0.00 0.00 70.33 68.96 1jtx n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jtx n GLU 90 N -0.31 2.16 -3.95 1.09 0.28 -1.26 -4.85 120.64 113.80 1jtx n GLU 90 Ca 0.08 -1.94 -0.32 0.00 -0.16 0.00 0.00 57.16 54.82 1jtx n GLU 90 Cb 0.51 -1.44 -0.05 0.00 1.43 0.00 0.00 31.44 31.89 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 -1.68 3.47 0.00 -1.84 1.51 -1.26 -4.67 117.35 112.87 1jtx s TYR 91 Ca 0.29 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 1jtx s TYR 91 Cb 0.19 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 1jtx s TYR 91 CO 0.28 0.61 0.00 0.98 -1.11 0.00 0.00 175.55 176.31 1jtx n TYR 92 N 0.74 0.00 -0.31 2.71 4.19 -1.26 -4.17 117.16 119.05 1jtx n TYR 92 Ca -0.09 0.00 0.21 0.00 3.31 0.00 0.00 57.90 61.33 1jtx n TYR 92 Cb 0.52 0.00 0.48 0.00 0.49 0.00 0.00 39.34 40.83 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 0.70 0.00 2.98 0.05 -1.91 0.15 116.97 118.94 1jtx h TYR 93 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jtx h TYR 93 Cb 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.54 1jtx h TYR 93 CO 0.00 0.10 0.00 -1.35 -1.05 0.00 0.00 178.16 175.86 1jtx h PRO 94 N 0.45 0.00 -0.61 4.88 0.11 -1.83 -2.72 132.00 132.27 1jtx h PRO 94 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1jtx h PRO 94 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1jtx h PRO 94 CO -0.29 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.78 1jtx n LEU 95 N -2.62 3.38 0.14 2.35 4.77 0.53 -4.53 117.00 121.01 1jtx n LEU 95 Ca 0.01 -1.70 -0.13 0.00 -0.03 0.00 0.00 56.01 54.16 1jtx n LEU 95 Cb 0.25 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1jtx n LEU 95 CO 0.23 0.57 0.73 1.56 -1.33 0.00 0.00 177.39 179.15 1jtx h GLN 96 N 2.73 -0.41 -0.87 3.23 1.08 -1.52 -0.81 115.11 118.54 1jtx h GLN 96 Ca 0.00 0.03 0.18 0.00 -1.45 0.00 0.00 58.65 57.40 1jtx h GLN 96 Cb 1.07 0.09 -0.11 0.00 -0.05 0.00 0.00 27.48 28.49 1jtx h GLN 96 CO 0.17 -0.27 0.42 -0.97 -0.95 0.00 0.00 178.83 177.23 1jtx h ASN 97 N -0.42 0.46 0.23 1.46 -1.24 -1.85 0.64 115.58 114.85 1jtx h ASN 97 Ca 0.01 0.12 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 1jtx h ASN 97 Cb 0.41 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1jtx h ASN 97 CO -0.07 0.14 -0.47 0.00 -1.29 0.00 0.00 177.43 175.74 1jtx h ALA 98 N 1.62 0.99 -0.35 1.57 0.00 -1.72 -2.63 119.26 118.75 1jtx h ALA 98 Ca 0.50 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1jtx h ALA 98 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jtx h ALA 98 CO -0.43 0.64 -0.14 0.82 0.00 0.00 0.00 179.25 180.14 1jtx h ILE 99 N 0.23 1.28 -0.59 0.00 2.04 0.15 0.20 117.51 120.83 1jtx h ILE 99 Ca 0.01 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 1jtx h ILE 99 Cb 0.92 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1jtx h ILE 99 CO 0.07 0.41 0.04 0.16 0.00 0.00 0.00 178.15 178.84 1jtx h ILE 100 N 0.49 1.26 0.62 -0.67 -0.00 -0.28 0.57 117.51 119.50 1jtx h ILE 100 Ca 0.08 -1.06 -0.03 0.00 -0.00 0.00 0.00 64.86 63.85 1jtx h ILE 100 Cb 0.67 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.24 1jtx h ILE 100 CO 0.05 0.39 -0.34 -0.33 -0.00 0.00 0.00 178.15 177.92 1jtx h GLU 101 N 0.93 -0.85 -0.94 0.16 5.08 -1.26 -1.56 114.58 116.14 1jtx h GLU 101 Ca 0.18 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 1jtx h GLU 101 Cb 0.48 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1jtx h GLU 101 CO 0.02 -0.57 0.61 0.35 -1.00 0.00 0.00 179.01 178.42 1jtx h PHE 102 N -0.88 0.69 -0.09 4.33 3.04 -0.44 -1.25 116.94 122.34 1jtx h PHE 102 Ca -0.08 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.72 1jtx h PHE 102 Cb 0.69 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1jtx h PHE 102 CO 0.01 0.17 -0.68 -0.92 -2.02 0.00 0.00 178.31 174.88 1jtx h TYR 103 N 0.51 0.51 -0.07 0.41 5.03 -0.71 -2.27 116.97 120.39 1jtx h TYR 103 Ca 0.50 -0.21 -0.05 0.00 2.58 0.00 0.00 58.73 61.54 1jtx h TYR 103 Cb 1.10 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.30 1jtx h TYR 103 CO -0.00 0.95 -0.17 1.79 -1.32 0.00 0.00 178.16 179.41 1jtx h THR 104 N 0.27 1.42 0.00 1.81 1.35 -0.22 -1.25 112.91 116.30 1jtx h THR 104 Ca -0.02 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1jtx h THR 104 Cb 1.23 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1jtx h THR 104 CO 0.12 0.42 0.00 1.21 -0.25 0.00 0.00 175.52 177.02 1jtx n GLU 105 N -4.58 0.03 -1.68 4.72 2.13 -0.67 -3.34 120.64 117.25 1jtx n GLU 105 Ca -0.08 0.34 0.02 0.00 0.66 0.00 0.00 57.16 58.11 1jtx n GLU 105 Cb 0.40 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.63 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 -1.42 0.16 1.46 4.31 4.01 -0.86 -4.86 117.16 119.96 1jtx n TYR 106 Ca 0.02 -0.77 0.14 0.00 -0.16 0.00 0.00 57.90 57.13 1jtx n TYR 106 Cb 0.06 -0.09 0.75 0.00 -0.31 0.00 0.00 39.34 39.76 1jtx n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jtx n TYR 107 N 0.26 0.00 -3.86 -0.72 4.11 -0.49 -4.19 117.16 112.27 1jtx n TYR 107 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.62 1jtx n TYR 107 Cb 1.06 -0.22 -0.12 0.00 -0.00 0.00 0.00 39.34 40.06 1jtx n TYR 107 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1jtx s LYS 108 N -2.44 2.34 -0.30 -3.48 -0.14 -1.26 -4.79 119.74 109.67 1jtx s LYS 108 Ca 0.31 -2.85 -0.11 0.00 -1.36 0.00 0.00 55.97 51.96 1jtx s LYS 108 Cb 0.19 -3.49 0.19 0.00 -1.68 0.00 0.00 37.83 33.04 1jtx s LYS 108 CO 0.41 -1.18 1.04 0.99 -0.76 0.00 0.00 175.35 175.86 1jtx s THR 109 N -0.64 -0.25 0.04 2.17 2.01 -1.26 -5.00 115.64 112.71 1jtx s THR 109 Ca 0.20 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 1jtx s THR 109 Cb -0.18 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1jtx s THR 109 CO -0.06 0.00 0.57 0.59 -0.69 0.00 0.00 174.62 175.03 1jtx n ASN 110 N 5.01 -0.28 0.28 3.53 5.03 -1.26 -0.29 115.26 127.28 1jtx n ASN 110 Ca 0.09 0.63 -0.15 0.00 0.87 0.00 0.00 54.58 56.03 1jtx n ASN 110 Cb 0.58 -0.14 -0.08 0.00 -1.02 0.00 0.00 39.78 39.13 1jtx n ASN 110 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1jtx h SER 111 N 0.00 -1.04 0.34 6.41 4.64 -1.99 -2.80 113.55 119.10 1jtx h SER 111 Ca 0.04 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jtx h SER 111 Cb 0.11 0.33 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1jtx h SER 111 CO -0.25 -0.55 -0.38 0.40 -0.87 0.00 0.00 176.83 175.18 1jtx h ILE 112 N -0.86 0.23 -1.03 0.95 2.04 -1.55 0.17 117.51 117.47 1jtx h ILE 112 Ca -0.06 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.06 1jtx h ILE 112 Cb 0.72 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 1jtx h ILE 112 CO 0.01 0.00 0.67 -1.13 0.00 0.00 0.00 178.15 177.69 1jtx h ASN 113 N -0.75 0.41 0.03 1.72 -1.24 -0.71 0.17 115.58 115.21 1jtx h ASN 113 Ca -0.02 0.07 -0.11 0.00 0.71 0.00 0.00 56.30 56.95 1jtx h ASN 113 Cb 0.69 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 1jtx h ASN 113 CO -0.09 0.10 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.22 1jtx h GLU 114 N 0.37 0.06 -1.04 6.67 5.08 -1.23 -2.17 114.58 122.32 1jtx h GLU 114 Ca 0.57 -0.10 0.28 0.00 -1.00 0.00 0.00 59.36 59.12 1jtx h GLU 114 Cb 1.49 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.71 1jtx h GLU 114 CO -0.26 1.05 0.71 -0.22 -1.00 0.00 0.00 179.01 179.29 1jtx h LYS 115 N -0.86 0.18 0.02 2.33 1.63 -0.46 -0.84 116.57 118.58 1jtx h LYS 115 Ca -0.15 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1jtx h LYS 115 Cb 1.24 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 1jtx h LYS 115 CO -0.04 0.12 -0.01 1.98 -3.45 0.00 0.00 179.45 178.05 1jtx h MET 116 N 0.19 -0.03 -0.93 1.90 4.05 -0.74 -3.25 114.93 116.12 1jtx h MET 116 Ca 0.54 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 60.04 1jtx h MET 116 Cb 1.75 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 32.50 1jtx h MET 116 CO -0.13 0.71 0.60 -0.91 0.23 0.00 0.00 176.91 177.40 1jtx h ASN 117 N -0.89 0.89 -0.41 1.39 -0.26 -0.58 0.32 115.58 116.04 1jtx h ASN 117 Ca -0.00 0.02 0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1jtx h ASN 117 Cb 0.75 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1jtx h ASN 117 CO 0.00 0.54 0.27 0.11 -1.06 0.00 0.00 177.43 177.30 1jtx h LYS 118 N 0.99 0.42 -0.07 0.81 1.57 -1.31 0.13 116.57 119.11 1jtx h LYS 118 Ca 0.42 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.93 1jtx h LYS 118 Cb 0.31 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1jtx h LYS 118 CO -0.18 0.28 -0.90 -0.07 -0.57 0.00 0.00 179.45 178.00 1jtx h LEU 119 N 0.43 0.89 -0.34 2.94 3.38 -0.50 -3.04 115.31 119.07 1jtx h LEU 119 Ca 0.17 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1jtx h LEU 119 Cb 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1jtx h LEU 119 CO -0.04 1.44 0.19 -0.33 0.09 0.00 0.00 178.44 179.79 1jtx h GLU 120 N 0.45 0.37 -0.93 1.13 4.39 0.90 -2.55 114.58 118.34 1jtx h GLU 120 Ca -0.09 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1jtx h GLU 120 Cb 1.54 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 30.06 1jtx h GLU 120 CO 0.18 0.24 0.61 -0.91 -1.16 0.00 0.00 179.01 177.98 1jtx h ASN 121 N 0.38 1.05 -0.69 1.42 -0.26 -0.87 -2.12 115.58 114.49 1jtx h ASN 121 Ca 0.14 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.81 1jtx h ASN 121 Cb 0.02 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.00 1jtx h ASN 121 CO -0.08 0.75 0.27 0.11 -1.06 0.00 0.00 177.43 177.42 1jtx h LYS 122 N 1.23 1.04 0.00 0.81 1.57 -1.34 0.35 116.57 120.23 1jtx h LYS 122 Ca 0.35 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1jtx h LYS 122 Cb -0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1jtx h LYS 122 CO -0.09 0.86 -0.18 1.88 -0.57 0.00 0.00 179.45 181.35 1jtx h TYR 123 N 0.98 0.00 0.00 -1.35 -1.99 -1.11 -2.71 116.97 110.80 1jtx h TYR 123 Ca 0.23 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.86 1jtx h TYR 123 Cb 0.22 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 1jtx h TYR 123 CO 0.02 0.18 -1.32 1.51 -0.00 0.00 0.00 178.16 178.55 1jtx n ILE 124 N -3.54 0.91 -0.04 -2.88 3.06 -0.77 -4.11 119.36 111.99 1jtx n ILE 124 Ca -0.01 -0.63 0.03 0.00 -2.50 0.00 0.00 62.75 59.64 1jtx n ILE 124 Cb 0.33 -0.54 0.38 0.00 0.54 0.00 0.00 39.64 40.35 1jtx n ILE 124 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1jtx h ASP 125 N 0.00 0.54 -1.01 9.51 3.58 0.02 -1.33 116.42 127.74 1jtx h ASP 125 Ca -0.10 -0.02 0.12 0.00 0.42 0.00 0.00 57.03 57.44 1jtx h ASP 125 Cb 1.35 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 1jtx h ASP 125 CO 0.03 0.41 0.63 0.00 -2.88 0.00 0.00 179.24 177.43 1jtx h ALA 126 N 1.68 1.51 -0.15 -0.78 0.00 -1.71 0.25 119.26 120.06 1jtx h ALA 126 Ca 0.17 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1jtx h ALA 126 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jtx h ALA 126 CO -0.03 0.24 -0.76 1.88 0.00 0.00 0.00 179.25 180.58 1jtx h TYR 127 N 1.01 0.98 -0.01 0.00 0.05 -1.51 -2.63 116.97 114.85 1jtx h TYR 127 Ca 0.49 -0.43 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1jtx h TYR 127 Cb 0.47 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1jtx h TYR 127 CO -0.00 1.25 -0.20 1.25 -1.05 0.00 0.00 178.16 179.41 1jtx h HIS 128 N 0.50 -0.51 -0.80 4.88 2.76 -0.29 -0.67 115.15 121.01 1jtx h HIS 128 Ca -0.05 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1jtx h HIS 128 Cb 1.38 0.23 -0.04 0.00 1.55 0.00 0.00 27.41 30.53 1jtx h HIS 128 CO 0.08 -0.28 0.46 0.28 -1.30 0.00 0.00 177.93 177.17 1jtx h VAL 129 N -0.31 1.23 -0.54 5.26 2.07 -0.62 0.85 116.25 124.19 1jtx h VAL 129 Ca 0.06 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1jtx h VAL 129 Cb 0.39 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1jtx h VAL 129 CO -0.19 0.25 0.03 0.40 0.02 0.00 0.00 177.57 178.08 1jtx h ILE 130 N 1.11 1.25 -0.02 4.57 2.04 -1.03 -2.08 117.51 123.35 1jtx h ILE 130 Ca 0.29 -1.02 -0.26 0.00 1.00 0.00 0.00 64.86 64.87 1jtx h ILE 130 Cb -0.01 0.80 0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1jtx h ILE 130 CO -0.05 0.37 -0.99 -0.26 0.00 0.00 0.00 178.15 177.22 1jtx h PHE 131 N 0.84 1.03 -0.00 1.37 0.04 -0.52 -1.21 116.94 118.49 1jtx h PHE 131 Ca 0.16 -0.55 -0.00 0.00 2.80 0.00 0.00 57.97 60.39 1jtx h PHE 131 Cb 0.45 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1jtx h PHE 131 CO 0.03 1.38 0.00 -0.22 -0.60 0.00 0.00 178.31 178.90 1jtx h LYS 132 N 0.39 0.00 -0.50 1.51 3.64 -0.86 -1.52 116.57 119.23 1jtx h LYS 132 Ca -0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1jtx h LYS 132 Cb 1.64 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.44 1jtx h LYS 132 CO 0.20 0.20 0.33 1.49 -2.27 0.00 0.00 179.45 179.40 1jtx h GLU 133 N -0.20 0.62 -0.54 1.90 4.57 -1.45 -0.28 114.58 119.20 1jtx h GLU 133 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1jtx h GLU 133 Cb 0.20 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1jtx h GLU 133 CO -0.00 0.41 0.35 0.78 -1.18 0.00 0.00 179.01 179.37 1jtx h GLY 134 N 0.64 0.76 0.00 1.92 0.00 -0.77 -3.23 103.07 102.39 1jtx h GLY 134 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1jtx h GLY 134 CO -0.04 0.26 0.00 0.70 0.00 0.00 0.00 176.54 177.46 1jtx n ASN 135 N -4.73 0.00 -2.19 0.19 3.02 -0.15 -2.28 115.26 109.12 1jtx n ASN 135 Ca 0.03 0.75 -0.02 0.00 -0.03 0.00 0.00 54.58 55.31 1jtx n ASN 135 Cb 0.03 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 1jtx n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jtx n LEU 136 N -1.51 1.37 0.00 3.41 -0.00 -1.02 -0.30 117.00 118.96 1jtx n LEU 136 Ca 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 56.01 55.02 1jtx n LEU 136 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1jtx n LEU 136 CO 0.00 0.14 0.00 0.59 -0.00 0.00 0.00 177.39 178.12 1jtx n ASN 137 N 2.52 0.00 -4.00 1.45 3.02 -1.05 -5.00 115.26 112.19 1jtx n ASN 137 Ca 0.07 -0.95 -0.30 0.00 -0.03 0.00 0.00 54.58 53.37 1jtx n ASN 137 Cb 0.20 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1jtx n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jtx n GLY 138 N 0.00 -0.37 0.09 7.41 0.00 0.59 -4.81 105.19 108.10 1jtx n GLY 138 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1jtx n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jtx n GLU 139 N -4.46 0.66 -3.96 1.61 1.02 -0.97 -5.02 120.64 109.53 1jtx n GLU 139 Ca -0.10 0.13 -0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1jtx n GLU 139 Cb 0.58 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1jtx n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1jtx s TRP 140 N -2.60 0.06 -0.04 -0.32 -2.14 -1.25 -4.97 118.94 107.67 1jtx s TRP 140 Ca -0.07 -0.31 -0.02 0.00 2.66 0.00 0.00 56.10 58.36 1jtx s TRP 140 Cb 0.07 0.63 0.03 0.00 -3.10 0.00 0.00 33.47 31.10 1jtx s TRP 140 CO 0.83 -0.58 0.05 0.45 -2.66 0.00 0.00 176.95 175.04 1jtx s SER 141 N -3.67 1.04 -0.13 -2.66 0.15 -1.14 -4.02 113.70 103.27 1jtx s SER 141 Ca 0.27 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1jtx s SER 141 Cb -0.02 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1jtx s SER 141 CO 0.02 -0.23 -0.09 -0.63 1.20 0.00 0.00 173.24 173.51 1jtx s ILE 142 N 2.04 3.45 0.00 6.45 -1.09 -1.26 -4.83 121.20 125.96 1jtx s ILE 142 Ca 0.03 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1jtx s ILE 142 Cb -0.12 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 1jtx s ILE 142 CO -0.03 0.52 0.14 -0.46 -1.23 0.00 0.00 174.94 173.88 1jtx n ASN 143 N 3.39 0.00 -4.17 3.58 6.94 -1.26 -4.39 115.26 119.35 1jtx n ASN 143 Ca -0.18 0.14 -0.35 0.00 -0.02 0.00 0.00 54.58 54.18 1jtx n ASN 143 Cb 0.53 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.81 1jtx n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jtx s ASP 144 N -2.74 4.88 0.12 0.53 2.15 -1.26 -4.98 116.67 115.37 1jtx s ASP 144 Ca 0.00 -1.29 -0.25 0.00 0.43 0.00 0.00 52.55 51.45 1jtx s ASP 144 Cb 0.00 -1.71 -0.05 0.00 -0.30 0.00 0.00 42.92 40.86 1jtx s ASP 144 CO 0.00 -0.26 1.65 0.58 -0.17 0.00 0.00 175.17 176.97 1jtx h VAL 145 N 6.48 0.50 -1.06 1.11 2.07 -1.98 -2.25 116.25 121.11 1jtx h VAL 145 Ca -0.21 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.59 1jtx h VAL 145 Cb 1.06 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 1jtx h VAL 145 CO 0.53 0.00 0.68 -1.13 0.02 0.00 0.00 177.57 177.67 1jtx h ASN 146 N -0.33 0.45 0.45 0.57 -1.24 -1.95 0.99 115.58 114.52 1jtx h ASN 146 Ca 0.07 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1jtx h ASN 146 Cb 0.42 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1jtx h ASN 146 CO -0.21 0.06 -0.22 0.00 -1.29 0.00 0.00 177.43 175.77 1jtx h ALA 147 N 1.63 -0.74 -0.82 1.57 0.00 -1.84 -2.85 119.26 116.21 1jtx h ALA 147 Ca 0.62 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.60 1jtx h ALA 147 Cb 1.59 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1jtx h ALA 147 CO -0.33 -0.70 0.56 0.28 0.00 0.00 0.00 179.25 179.06 1jtx h VAL 148 N -0.92 0.68 -0.19 0.00 2.07 -1.13 -0.30 116.25 116.46 1jtx h VAL 148 Ca -0.06 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1jtx h VAL 148 Cb 0.46 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1jtx h VAL 148 CO 0.10 0.04 0.10 0.28 0.02 0.00 0.00 177.57 178.12 1jtx h SER 149 N 0.24 0.23 -0.28 0.57 0.02 -0.82 0.12 113.55 113.63 1jtx h SER 149 Ca 0.41 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1jtx h SER 149 Cb 1.22 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1jtx h SER 149 CO -0.10 0.25 0.14 0.11 -1.14 0.00 0.00 176.83 176.09 1jtx h LYS 150 N 0.20 0.28 0.09 3.45 1.57 -0.83 -0.84 116.57 120.49 1jtx h LYS 150 Ca 0.07 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1jtx h LYS 150 Cb 0.07 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1jtx h LYS 150 CO -0.01 0.19 -0.28 0.82 -0.57 0.00 0.00 179.45 179.60 1jtx h ILE 151 N 0.29 0.39 0.33 1.86 1.08 -1.05 -0.76 117.51 119.65 1jtx h ILE 151 Ca 0.12 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1jtx h ILE 151 Cb 0.04 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1jtx h ILE 151 CO -0.08 0.00 -0.34 0.00 -0.69 0.00 0.00 178.15 177.03 1jtx h ALA 152 N 0.26 -1.02 -0.64 1.87 0.00 -0.64 0.45 119.26 119.53 1jtx h ALA 152 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1jtx h ALA 152 Cb 0.52 0.58 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 1jtx h ALA 152 CO -0.18 -1.04 -0.56 0.00 0.00 0.00 0.00 179.25 177.46 1jtx h ALA 153 N -1.18 -0.66 -0.11 0.00 0.00 -1.05 0.30 119.26 116.56 1jtx h ALA 153 Ca -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jtx h ALA 153 Cb 0.59 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1jtx h ALA 153 CO -0.05 -1.01 -0.19 -0.91 0.00 0.00 0.00 179.25 177.10 1jtx h ASN 154 N -0.24 0.18 -0.22 0.00 2.35 -0.97 0.11 115.58 116.79 1jtx h ASN 154 Ca 0.11 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1jtx h ASN 154 Cb 0.53 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1jtx h ASN 154 CO -0.73 0.38 -0.17 0.00 -1.65 0.00 0.00 177.43 175.26 1jtx h ALA 155 N 1.64 0.31 -0.37 -0.83 0.00 0.18 -2.39 119.26 117.80 1jtx h ALA 155 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jtx h ALA 155 Cb 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jtx h ALA 155 CO 0.03 0.22 0.24 0.28 0.00 0.00 0.00 179.25 180.02 1jtx h VAL 156 N 0.19 1.10 -0.45 0.00 2.07 -0.14 -0.50 116.25 118.52 1jtx h VAL 156 Ca 0.04 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.47 1jtx h VAL 156 Cb 0.70 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1jtx h VAL 156 CO 0.04 0.10 0.32 -1.13 0.02 0.00 0.00 177.57 176.92 1jtx h ASN 157 N 0.50 0.11 0.69 0.57 -0.73 -0.77 0.12 115.58 116.07 1jtx h ASN 157 Ca 0.14 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.12 1jtx h ASN 157 Cb -0.04 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.51 1jtx h ASN 157 CO -0.03 0.07 -0.86 1.23 -0.37 0.00 0.00 177.43 177.46 1jtx h GLY 158 N 0.13 0.13 0.95 1.57 0.00 -0.59 -1.83 103.07 103.43 1jtx h GLY 158 Ca 0.21 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 1jtx h GLY 158 CO -0.03 0.21 -0.38 -2.22 0.00 0.00 0.00 176.54 174.12 1jtx h ILE 159 N 0.06 1.32 0.56 2.60 1.08 0.19 -2.59 117.51 120.73 1jtx h ILE 159 Ca -0.03 -1.60 -0.03 0.00 -0.39 0.00 0.00 64.86 62.82 1jtx h ILE 159 Cb 1.50 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 1jtx h ILE 159 CO 0.12 0.50 -0.29 0.58 -0.69 0.00 0.00 178.15 178.38 1jtx h VAL 160 N 0.35 0.00 0.00 1.67 2.07 -0.93 -3.12 116.25 116.29 1jtx h VAL 160 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1jtx h VAL 160 Cb 0.98 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jtx h VAL 160 CO 0.09 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.03 1jtx n THR 161 N -4.15 0.00 -0.78 2.57 -2.24 -0.69 -3.45 114.28 105.54 1jtx n THR 161 Ca -0.10 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1jtx n THR 161 Cb 0.31 -0.26 0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1jtx n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jtx n PHE 162 N -0.69 0.00 -0.84 4.78 3.01 -0.97 -4.51 117.46 118.23 1jtx n PHE 162 Ca 0.08 -0.57 0.01 0.00 1.01 0.00 0.00 57.45 57.98 1jtx n PHE 162 Cb 0.04 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.43 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 -0.74 0.39 0.00 4.37 -2.24 -1.18 -4.80 114.28 110.08 1jtx n THR 163 Ca 0.06 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1jtx n THR 163 Cb 0.48 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.22 0.00 -0.01 4.78 -0.00 -1.24 -1.95 115.22 116.57 1jtx n HIS 164 Ca 0.01 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.19 1jtx n HIS 164 Cb 0.46 -0.16 -0.00 0.00 -0.12 0.00 0.00 29.99 30.17 1jtx n HIS 164 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1jtx h GLU 165 N 0.00 0.00 -5.43 1.57 3.07 -1.92 -3.49 114.58 108.38 1jtx h GLU 165 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 1jtx h GLU 165 Cb 0.03 0.00 0.23 0.00 -0.84 0.00 0.00 28.75 28.18 1jtx h GLU 165 CO 0.00 0.00 -2.44 1.04 -1.40 0.00 0.00 179.01 176.21 1jtx n GLN 166 N -2.62 0.00 -2.72 2.33 6.02 -0.82 -4.90 117.38 114.66 1jtx n GLN 166 Ca -0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1jtx n GLN 166 Cb 0.01 -0.91 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 1jtx n GLN 166 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1jtx s ASN 167 N -0.91 7.36 0.16 1.08 2.47 -1.26 -4.92 114.94 118.93 1jtx s ASN 167 Ca 0.33 1.65 -0.07 0.00 0.42 0.00 0.00 52.86 55.18 1jtx s ASN 167 Cb 0.08 -2.57 0.23 0.00 -1.45 0.00 0.00 41.25 37.55 1jtx s ASN 167 CO 0.61 -0.25 0.97 -0.38 -3.72 0.00 0.00 177.10 174.33 1jtx n ILE 168 N 3.87 -0.29 0.35 -5.21 2.08 -1.26 0.25 119.36 119.16 1jtx n ILE 168 Ca 0.06 1.44 0.14 0.00 0.56 0.00 0.00 62.75 64.94 1jtx n ILE 168 Cb 0.51 -1.96 0.57 0.00 -0.75 0.00 0.00 39.64 38.01 1jtx n ILE 168 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1jtx h ASN 169 N 0.00 0.00 0.53 4.38 -1.24 -2.00 -2.59 115.58 114.66 1jtx h ASN 169 Ca 0.27 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.12 1jtx h ASN 169 Cb 0.42 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.44 1jtx h ASN 169 CO -0.63 0.00 -1.59 1.21 -1.29 0.00 0.00 177.43 175.13 1jtx n GLU 170 N -2.48 0.63 -0.14 6.67 0.00 0.14 -3.40 120.64 122.06 1jtx n GLU 170 Ca 0.01 0.12 -0.11 0.00 0.00 0.00 0.00 57.16 57.19 1jtx n GLU 170 Cb 0.23 -1.73 -0.01 0.00 0.00 0.00 0.00 31.44 29.93 1jtx n GLU 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jtx h ARG 171 N 0.00 0.82 0.00 5.31 3.08 -1.07 -2.23 114.38 120.29 1jtx h ARG 171 Ca -0.18 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 1jtx h ARG 171 Cb 1.54 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 1jtx h ARG 171 CO 0.03 0.94 -0.19 0.82 -1.07 0.00 0.00 179.97 180.50 1jtx h ILE 172 N 0.64 0.85 0.24 2.04 2.04 -1.60 0.05 117.51 121.77 1jtx h ILE 172 Ca 0.11 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1jtx h ILE 172 Cb 0.63 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1jtx h ILE 172 CO 0.04 0.19 -0.12 0.50 0.00 0.00 0.00 178.15 178.76 1jtx h LYS 173 N 0.00 -0.31 -0.27 2.37 3.64 -1.45 -1.39 116.57 119.17 1jtx h LYS 173 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1jtx h LYS 173 Cb 0.41 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1jtx h LYS 173 CO 0.02 0.05 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.07 1jtx h LEU 174 N -0.78 -0.39 -1.57 5.20 3.38 -1.08 -0.46 115.31 119.61 1jtx h LEU 174 Ca -0.03 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1jtx h LEU 174 Cb 0.51 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1jtx h LEU 174 CO 0.05 -0.15 0.45 -0.03 0.09 0.00 0.00 178.44 178.86 1jtx h MET 175 N -0.07 0.45 -0.05 1.13 4.05 -1.02 0.39 114.93 119.81 1jtx h MET 175 Ca 0.14 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.29 1jtx h MET 175 Cb 0.28 -0.10 0.02 0.00 -0.80 0.00 0.00 31.60 30.99 1jtx h MET 175 CO -0.31 0.30 -0.89 -0.91 0.23 0.00 0.00 176.91 175.32 1jtx h ASN 176 N 0.47 0.87 -0.64 1.39 2.35 0.04 -0.84 115.58 119.21 1jtx h ASN 176 Ca 0.32 -0.71 -0.04 0.00 -0.55 0.00 0.00 56.30 55.33 1jtx h ASN 176 Cb 0.62 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1jtx h ASN 176 CO -0.10 1.45 0.25 0.50 -1.65 0.00 0.00 177.43 177.89 1jtx h LYS 177 N 0.36 0.96 0.21 0.81 1.63 -0.75 -0.64 116.57 119.16 1jtx h LYS 177 Ca -0.10 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 1jtx h LYS 177 Cb 1.55 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 33.01 1jtx h LYS 177 CO 0.18 0.81 -0.20 0.35 -3.45 0.00 0.00 179.45 177.14 1jtx h PHE 178 N 0.90 -0.52 -0.67 1.91 3.57 -0.84 0.36 116.94 121.65 1jtx h PHE 178 Ca 0.21 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.83 1jtx h PHE 178 Cb 0.21 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1jtx h PHE 178 CO 0.01 -0.30 0.45 0.77 -2.23 0.00 0.00 178.31 177.01 1jtx h SER 179 N -0.44 0.41 0.10 0.41 0.02 -0.83 0.54 113.55 113.76 1jtx h SER 179 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jtx h SER 179 Cb 0.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1jtx h SER 179 CO -0.04 0.24 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.23 1jtx h GLN 180 N 0.45 -0.13 -1.00 3.45 4.15 -0.08 -1.46 115.11 120.50 1jtx h GLN 180 Ca 0.31 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.88 1jtx h GLN 180 Cb 0.62 0.03 -0.15 0.00 0.21 0.00 0.00 27.48 28.19 1jtx h GLN 180 CO -0.10 -0.08 -0.44 -0.89 -1.93 0.00 0.00 178.83 175.39 1jtx n ILE 181 N -2.46 -0.57 -0.27 2.39 5.41 0.02 -0.31 119.36 123.56 1jtx n ILE 181 Ca -0.02 2.36 -0.00 0.00 1.00 0.00 0.00 62.75 66.09 1jtx n ILE 181 Cb 0.05 -3.06 0.12 0.00 -0.71 0.00 0.00 39.64 36.04 1jtx n ILE 181 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1jtx h PHE 182 N 0.00 0.83 -0.20 1.39 3.04 -0.95 -1.24 116.94 119.80 1jtx h PHE 182 Ca 0.30 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.14 1jtx h PHE 182 Cb 0.55 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1jtx h PHE 182 CO -0.91 0.41 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.26 1jtx h LEU 183 N 0.82 0.55 0.70 0.59 4.07 0.47 -3.24 115.31 119.26 1jtx h LEU 183 Ca 0.34 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1jtx h LEU 183 Cb 0.19 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.78 1jtx h LEU 183 CO -0.18 0.92 -0.34 -1.13 -1.08 0.00 0.00 178.44 176.63 1jtx h ASN 184 N 0.41 -0.81 0.00 -0.43 -0.00 0.11 -2.62 115.58 112.25 1jtx h ASN 184 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1jtx h ASN 184 Cb 0.95 0.21 0.00 0.00 -0.00 0.00 0.00 38.32 39.48 1jtx h ASN 184 CO 0.08 -0.57 0.00 0.61 -0.00 0.00 0.00 177.43 177.55 1jtx n GLY 185 N -1.47 0.00 0.13 1.57 0.00 -0.55 -2.28 105.19 102.60 1jtx n GLY 185 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1jtx n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jtx n LEU 186 N -0.43 2.51 0.00 0.99 4.77 -0.99 -5.07 117.00 118.79 1jtx n LEU 186 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1jtx n LEU 186 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1jtx n LEU 186 CO 0.00 0.76 0.00 -0.24 -1.33 0.00 0.00 177.39 176.58