#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtg h PRO 27 N 0.00 0.00 -0.18 1.57 0.13 -1.98 -0.48 132.00 131.05 1jtg h PRO 27 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 1jtg h PRO 27 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1jtg h PRO 27 CO 0.00 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 178.44 1jtg h GLU 28 N 0.00 0.34 -0.61 0.86 4.39 -1.99 -1.76 114.58 115.80 1jtg h GLU 28 Ca 0.33 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 1jtg h GLU 28 Cb 1.42 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1jtg h GLU 28 CO -0.00 0.59 0.02 1.15 -1.16 0.00 0.00 179.01 179.60 1jtg h THR 29 N 0.31 1.26 -0.32 1.13 2.02 -1.39 -1.88 112.91 114.04 1jtg h THR 29 Ca 0.05 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 1jtg h THR 29 Cb 0.63 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1jtg h THR 29 CO 0.05 0.41 0.02 -0.07 0.37 0.00 0.00 175.52 176.30 1jtg h LEU 30 N 0.98 0.44 -0.76 2.58 4.07 -1.35 0.13 115.31 121.39 1jtg h LEU 30 Ca 0.18 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1jtg h LEU 30 Cb 0.54 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1jtg h LEU 30 CO 0.03 0.49 0.05 0.58 -1.08 0.00 0.00 178.44 178.51 1jtg h VAL 31 N 0.46 1.26 -0.26 1.22 2.07 -0.74 -1.73 116.25 118.53 1jtg h VAL 31 Ca 0.10 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.45 1jtg h VAL 31 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1jtg h VAL 31 CO 0.01 0.38 -0.34 0.50 0.02 0.00 0.00 177.57 178.13 1jtg h LYS 32 N 0.92 0.57 -0.61 1.57 1.63 -0.33 -1.60 116.57 118.72 1jtg h LYS 32 Ca 0.18 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1jtg h LYS 32 Cb 0.47 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 1jtg h LYS 32 CO 0.02 0.84 0.19 0.28 -3.45 0.00 0.00 179.45 177.33 1jtg h VAL 33 N 0.48 1.24 -0.58 2.00 2.07 -0.45 -0.06 116.25 120.96 1jtg h VAL 33 Ca 0.05 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1jtg h VAL 33 Cb 0.83 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1jtg h VAL 33 CO 0.07 0.31 -0.00 0.11 0.02 0.00 0.00 177.57 178.08 1jtg h LYS 34 N 0.87 1.00 -0.59 1.57 1.57 -1.08 -1.76 116.57 118.15 1jtg h LYS 34 Ca 0.20 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1jtg h LYS 34 Cb 0.28 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1jtg h LYS 34 CO -0.01 0.98 0.35 0.22 -0.57 0.00 0.00 179.45 180.42 1jtg h ASP 35 N 0.92 0.71 -0.65 0.86 -0.00 -0.96 -1.87 116.42 115.44 1jtg h ASP 35 Ca 0.17 -0.07 0.04 0.00 -0.00 0.00 0.00 57.03 57.17 1jtg h ASP 35 Cb 0.54 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.33 39.64 1jtg h ASP 35 CO 0.03 0.57 0.38 0.00 -0.00 0.00 0.00 179.24 180.22 1jtg h ALA 36 N 1.17 0.86 -0.55 -0.78 0.00 -0.55 0.94 119.26 120.34 1jtg h ALA 36 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jtg h ALA 36 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1jtg h ALA 36 CO -0.04 0.09 0.32 0.93 0.00 0.00 0.00 179.25 180.56 1jtg h GLU 37 N 0.73 0.75 0.06 0.00 5.08 -0.70 0.20 114.58 120.69 1jtg h GLU 37 Ca 0.28 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jtg h GLU 37 Cb 0.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1jtg h GLU 37 CO -0.14 0.53 -0.03 -0.44 -1.00 0.00 0.00 179.01 177.93 1jtg h ASP 38 N 0.76 -0.07 0.13 1.42 3.32 -0.43 0.23 116.42 121.77 1jtg h ASP 38 Ca 0.20 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.82 1jtg h ASP 38 Cb -0.02 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1jtg h ASP 38 CO -0.04 0.43 -0.28 1.56 -1.72 0.00 0.00 179.24 179.19 1jtg h GLN 39 N -0.60 -0.48 0.00 3.56 1.08 -0.65 -2.61 115.11 115.40 1jtg h GLN 39 Ca -0.01 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1jtg h GLN 39 Cb 0.51 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1jtg h GLN 39 CO 0.01 -0.32 -0.15 -0.07 -0.95 0.00 0.00 178.83 177.35 1jtg h LEU 40 N -0.50 0.00 -1.09 1.46 4.07 -1.05 -3.48 115.31 114.73 1jtg h LEU 40 Ca 0.03 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.63 1jtg h LEU 40 Cb 0.52 0.00 0.14 0.00 1.08 0.00 0.00 40.66 42.40 1jtg h LEU 40 CO -0.16 0.15 -0.67 0.61 -1.08 0.00 0.00 178.44 177.30 1jtg n GLY 41 N 0.53 -0.42 3.61 0.83 0.00 0.78 -4.27 105.19 106.25 1jtg n GLY 41 Ca 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 1jtg n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jtg s ALA 42 N -3.31 -0.59 0.30 4.61 0.00 -1.02 -4.57 121.76 117.18 1jtg s ALA 42 Ca 0.40 -0.61 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 1jtg s ALA 42 Cb -0.18 0.96 -0.10 0.00 0.00 0.00 0.00 23.12 23.81 1jtg s ALA 42 CO 0.69 -0.87 0.91 1.03 0.00 0.00 0.00 175.76 177.52 1jtg s ARG 43 N -3.96 4.57 -0.08 0.00 0.52 -1.24 -4.40 118.95 114.35 1jtg s ARG 43 Ca 0.17 1.28 0.03 0.00 -0.52 0.00 0.00 55.73 56.70 1jtg s ARG 43 Cb -0.02 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1jtg s ARG 43 CO 0.05 0.32 -0.19 0.08 0.02 0.00 0.00 175.30 175.58 1jtg s VAL 44 N -1.56 1.66 -0.12 3.52 1.01 -1.26 -3.20 120.40 120.44 1jtg s VAL 44 Ca 0.48 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1jtg s VAL 44 Cb -0.19 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1jtg s VAL 44 CO 0.24 0.47 -0.03 -0.83 0.00 0.00 0.00 175.10 174.95 1jtg s GLY 45 N 0.41 1.75 -0.05 4.51 0.00 0.76 -4.57 107.32 110.13 1jtg s GLY 45 Ca -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1jtg s GLY 45 CO 0.06 -0.30 0.12 -0.47 0.00 0.00 0.00 173.10 172.51 1jtg s TYR 46 N -0.15 -0.13 -0.05 1.90 5.04 0.10 -1.25 117.35 122.82 1jtg s TYR 46 Ca 0.03 0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.97 1jtg s TYR 46 Cb -0.13 -0.00 0.02 0.00 0.35 0.00 0.00 41.96 42.20 1jtg s TYR 46 CO 0.02 -0.09 0.12 0.42 -1.34 0.00 0.00 175.55 174.68 1jtg s ILE 47 N 0.40 -0.01 -0.15 3.14 -1.09 -0.55 -0.93 121.20 122.00 1jtg s ILE 47 Ca -0.03 0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1jtg s ILE 47 Cb -0.04 -0.18 0.02 0.00 -1.58 0.00 0.00 42.46 40.68 1jtg s ILE 47 CO -0.02 0.02 -0.20 -1.61 -1.23 0.00 0.00 174.94 171.91 1jtg s GLU 48 N 0.36 2.87 -0.05 2.79 2.02 -0.36 -1.36 118.70 124.97 1jtg s GLU 48 Ca -0.02 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.23 1jtg s GLU 48 Cb -0.04 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1jtg s GLU 48 CO -0.01 -0.11 -0.22 -1.17 0.02 0.00 0.00 175.26 173.76 1jtg s LEU 49 N 1.07 2.01 -0.03 1.80 2.96 0.58 -0.13 118.68 126.94 1jtg s LEU 49 Ca -0.01 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 1jtg s LEU 49 Cb -0.14 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1jtg s LEU 49 CO -0.07 0.21 1.25 -0.62 -1.32 0.00 0.00 176.35 175.80 1jtg s ASP 50 N -0.09 7.01 0.19 3.68 -1.08 0.02 -0.68 116.67 125.71 1jtg s ASP 50 Ca -0.04 1.91 -0.10 0.00 -0.52 0.00 0.00 52.55 53.80 1jtg s ASP 50 Cb -0.13 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.87 1jtg s ASP 50 CO 0.03 -0.60 1.74 0.25 0.52 0.00 0.00 175.17 177.11 1jtg h LEU 51 N 8.06 0.93 0.22 -1.34 5.85 -1.37 0.15 115.31 127.81 1jtg h LEU 51 Ca -0.36 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1jtg h LEU 51 Cb 1.17 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1jtg h LEU 51 CO 0.88 0.86 -0.10 0.78 -0.34 0.00 0.00 178.44 180.51 1jtg h ASN 52 N 0.94 -0.25 1.03 1.25 2.35 -1.92 -3.36 115.58 115.63 1jtg h ASN 52 Ca 0.22 -0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 1jtg h ASN 52 Cb 0.23 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1jtg h ASN 52 CO -0.01 0.21 -1.03 0.77 -1.65 0.00 0.00 177.43 175.72 1jtg h SER 53 N -0.78 0.00 -0.02 5.81 4.64 -1.95 -3.48 113.55 117.77 1jtg h SER 53 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1jtg h SER 53 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jtg h SER 53 CO 0.05 0.51 -0.01 0.61 -0.87 0.00 0.00 176.83 177.12 1jtg n GLY 54 N 1.31 0.45 3.83 -0.77 0.00 0.52 -5.02 105.19 105.51 1jtg n GLY 54 Ca -0.04 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1jtg n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtg s LYS 55 N -1.35 4.12 -0.14 1.61 1.02 -1.25 -4.78 119.74 118.97 1jtg s LYS 55 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.42 1jtg s LYS 55 Cb 0.00 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1jtg s LYS 55 CO 0.00 0.35 1.18 0.42 -0.92 0.00 0.00 175.35 176.39 1jtg s ILE 56 N -1.63 4.39 -0.07 2.17 1.01 -1.26 -0.80 121.20 125.02 1jtg s ILE 56 Ca 0.45 1.69 -0.03 0.00 0.00 0.00 0.00 60.65 62.75 1jtg s ILE 56 Cb -0.15 -4.09 -0.27 0.00 0.01 0.00 0.00 42.46 37.97 1jtg s ILE 56 CO 0.20 -0.10 0.58 -0.07 0.00 0.00 0.00 174.94 175.55 1jtg h LEU 57 N 9.11 0.37 -7.33 2.97 3.38 -0.88 -3.48 115.31 119.45 1jtg h LEU 57 Ca -0.28 -0.70 -0.09 0.00 0.09 0.00 0.00 57.88 56.90 1jtg h LEU 57 Cb 1.11 -0.12 -0.19 0.00 0.09 0.00 0.00 40.66 41.55 1jtg h LEU 57 CO 0.94 1.61 -0.10 -1.61 0.09 0.00 0.00 178.44 179.37 1jtg s GLU 58 N -2.58 0.83 0.00 1.13 0.41 -1.14 -4.74 118.70 112.62 1jtg s GLU 58 Ca -0.15 -0.07 -0.21 0.00 -0.41 0.00 0.00 54.97 54.12 1jtg s GLU 58 Cb 0.07 0.38 0.04 0.00 -1.78 0.00 0.00 34.13 32.84 1jtg s GLU 58 CO 0.81 -0.25 0.47 -1.54 -0.49 0.00 0.00 175.26 174.26 1jtg s SER 59 N -1.38 -0.38 -0.17 -0.19 1.04 -1.26 -1.22 113.70 110.13 1jtg s SER 59 Ca -0.12 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.49 1jtg s SER 59 Cb -0.03 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.60 1jtg s SER 59 CO 0.05 -0.60 0.38 0.12 0.98 0.00 0.00 173.24 174.18 1jtg s PHE 60 N -1.79 -0.65 -1.40 5.02 5.36 -0.11 -4.87 117.98 119.54 1jtg s PHE 60 Ca -0.09 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 57.20 1jtg s PHE 60 Cb -0.02 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1jtg s PHE 60 CO 0.03 -0.40 0.42 0.54 -1.46 0.00 0.00 175.22 174.34 1jtg n ARG 61 N 4.95 -3.20 0.31 10.12 1.74 -1.26 -0.72 116.66 128.60 1jtg n ARG 61 Ca -0.14 0.40 0.20 0.00 -0.77 0.00 0.00 57.85 57.54 1jtg n ARG 61 Cb 0.52 -4.50 0.95 0.00 -1.02 0.00 0.00 32.46 28.41 1jtg n ARG 61 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jtg h PRO 62 N -1.84 0.00 -0.12 5.56 0.13 -1.89 -3.02 132.00 130.81 1jtg h PRO 62 Ca -0.63 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.49 1jtg h PRO 62 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1jtg h PRO 62 CO 0.62 0.00 -0.02 0.39 -0.23 0.00 0.00 178.00 178.76 1jtg n GLU 63 N -3.09 2.01 -3.69 0.86 1.02 -1.26 -1.84 120.64 114.64 1jtg n GLU 63 Ca -0.01 -2.74 -0.31 0.00 -0.02 0.00 0.00 57.16 54.07 1jtg n GLU 63 Cb 0.19 -1.66 -0.05 0.00 -0.02 0.00 0.00 31.44 29.90 1jtg n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1jtg s GLU 64 N -2.89 3.60 0.16 3.49 2.02 -1.14 -5.00 118.70 118.94 1jtg s GLU 64 Ca 0.37 -0.13 -0.18 0.00 0.02 0.00 0.00 54.97 55.05 1jtg s GLU 64 Cb 0.32 -2.86 -0.07 0.00 0.10 0.00 0.00 34.13 31.61 1jtg s GLU 64 CO 0.05 0.47 0.63 1.03 0.02 0.00 0.00 175.26 177.46 1jtg s ARG 65 N -2.68 4.16 0.02 1.61 0.52 -1.26 -4.11 118.95 117.21 1jtg s ARG 65 Ca 0.40 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.33 1jtg s ARG 65 Cb -0.12 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 1jtg s ARG 65 CO 0.25 0.49 -0.04 -0.06 0.02 0.00 0.00 175.30 175.96 1jtg s PHE 66 N -1.40 0.34 0.23 -0.53 0.40 -0.27 -4.96 117.98 111.79 1jtg s PHE 66 Ca 0.38 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 1jtg s PHE 66 Cb -0.17 -0.23 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 1jtg s PHE 66 CO 0.20 -0.17 1.44 -2.14 0.70 0.00 0.00 175.22 175.25 1jtg s PRO 67 N -1.52 4.27 0.19 0.24 0.02 -1.26 -1.16 135.00 135.79 1jtg s PRO 67 Ca -0.15 2.28 -0.00 0.00 0.02 0.00 0.00 61.00 63.15 1jtg s PRO 67 Cb -0.10 -3.13 0.11 0.00 0.02 0.00 0.00 34.50 31.41 1jtg s PRO 67 CO -0.01 -0.43 1.48 0.52 -0.33 0.00 0.00 177.00 178.23 1jtg h MET 68 N 5.36 0.38 0.00 5.54 2.86 -1.66 -3.46 114.93 123.96 1jtg h MET 68 Ca -0.45 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1jtg h MET 68 Cb 1.22 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1jtg h MET 68 CO 0.80 0.92 0.00 -1.33 1.06 0.00 0.00 176.91 178.36 1jtg n MET 69 N -3.86 0.00 0.00 1.72 2.81 -1.26 -1.93 117.12 114.60 1jtg n MET 69 Ca -0.04 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.89 1jtg n MET 69 Cb 0.67 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 33.36 1jtg n MET 69 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jtg n SER 70 N -2.70 0.00 0.30 7.83 7.64 -1.26 -2.33 113.62 123.10 1jtg n SER 70 Ca 0.00 0.27 0.20 0.00 1.01 0.00 0.00 58.87 60.35 1jtg n SER 70 Cb 0.00 -0.35 0.94 0.00 -1.01 0.00 0.00 64.21 63.79 1jtg n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1jtg h THR 71 N 0.00 0.00 0.00 0.44 1.35 -1.47 -2.00 112.91 111.23 1jtg h THR 71 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1jtg h THR 71 Cb 0.09 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1jtg h THR 71 CO 0.00 0.00 0.00 2.19 -0.25 0.00 0.00 175.52 177.46 1jtg h PHE 72 N 0.00 0.00 0.00 4.73 -5.15 -1.63 -2.98 116.94 111.91 1jtg h PHE 72 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1jtg h PHE 72 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.43 1jtg h PHE 72 CO 0.00 0.00 -0.05 0.87 -2.00 0.00 0.00 178.31 177.13 1jtg h LYS 73 N 0.00 0.00 -0.37 6.09 1.57 -1.61 -0.37 116.57 121.88 1jtg h LYS 73 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1jtg h LYS 73 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jtg h LYS 73 CO 0.00 0.05 -0.39 0.28 -0.57 0.00 0.00 179.45 178.82 1jtg h VAL 74 N 0.00 1.27 -0.49 0.50 2.07 -1.74 -2.08 116.25 115.79 1jtg h VAL 74 Ca -0.00 -1.56 -0.12 0.00 0.82 0.00 0.00 66.70 65.84 1jtg h VAL 74 Cb 0.14 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1jtg h VAL 74 CO 0.01 0.52 -0.18 -0.07 0.02 0.00 0.00 177.57 177.87 1jtg h LEU 75 N 0.72 0.98 0.04 2.57 3.38 -1.39 -0.87 115.31 120.73 1jtg h LEU 75 Ca 0.06 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1jtg h LEU 75 Cb 0.98 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1jtg h LEU 75 CO 0.10 1.13 -0.21 0.25 0.09 0.00 0.00 178.44 179.79 1jtg h LEU 76 N 0.84 -0.62 -1.46 1.67 5.85 -1.03 -0.08 115.31 120.48 1jtg h LEU 76 Ca 0.12 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1jtg h LEU 76 Cb 0.74 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1jtg h LEU 76 CO 0.06 -0.29 -0.23 0.00 -0.34 0.00 0.00 178.44 177.64 1jtg h GLY 78 N 1.36 1.17 1.30 0.00 0.00 -0.34 -0.64 103.07 105.92 1jtg h GLY 78 Ca -0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 47.33 46.37 1jtg h GLY 78 CO 0.03 0.77 -0.21 0.00 0.00 0.00 0.00 176.54 177.13 1jtg h ALA 79 N 1.01 0.86 -0.44 3.60 0.00 -0.12 -1.67 119.26 122.49 1jtg h ALA 79 Ca 0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1jtg h ALA 79 Cb 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jtg h ALA 79 CO 0.03 0.64 0.19 0.28 0.00 0.00 0.00 179.25 180.38 1jtg h VAL 80 N 0.70 1.19 -0.22 0.00 2.07 -0.77 -2.70 116.25 116.53 1jtg h VAL 80 Ca 0.10 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1jtg h VAL 80 Cb 0.73 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1jtg h VAL 80 CO 0.06 0.22 -0.07 -0.07 0.02 0.00 0.00 177.57 177.72 1jtg h LEU 81 N 0.57 0.33 -0.94 2.57 3.38 -0.90 -1.68 115.31 118.63 1jtg h LEU 81 Ca 0.15 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1jtg h LEU 81 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jtg h LEU 81 CO -0.02 0.45 0.11 0.77 0.09 0.00 0.00 178.44 179.84 1jtg h SER 82 N 0.34 0.83 -0.07 -0.43 4.64 -0.99 0.13 113.55 118.00 1jtg h SER 82 Ca 0.07 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 1jtg h SER 82 Cb 0.35 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1jtg h SER 82 CO 0.02 0.83 -0.39 0.03 -0.87 0.00 0.00 176.83 176.44 1jtg h ARG 83 N 0.85 0.59 -0.50 4.77 3.08 -1.12 -1.42 114.38 120.62 1jtg h ARG 83 Ca 0.18 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1jtg h ARG 83 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1jtg h ARG 83 CO 0.00 0.88 0.18 0.82 -1.07 0.00 0.00 179.97 180.78 1jtg h ILE 84 N 0.49 1.22 -0.87 2.04 2.04 -0.69 0.71 117.51 122.45 1jtg h ILE 84 Ca 0.04 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1jtg h ILE 84 Cb 0.90 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1jtg h ILE 84 CO 0.08 0.27 0.57 0.44 0.00 0.00 0.00 178.15 179.51 1jtg h ASP 85 N 0.67 0.98 0.43 1.72 3.45 -0.45 -0.65 116.42 122.59 1jtg h ASP 85 Ca 0.16 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1jtg h ASP 85 Cb 0.24 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1jtg h ASP 85 CO -0.01 0.71 0.00 0.00 -1.57 0.00 0.00 179.24 178.37 1jtg n ALA 86 N -2.40 2.15 -1.24 3.45 0.00 -0.56 -4.88 120.51 117.03 1jtg n ALA 86 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1jtg n ALA 86 Cb 0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 1jtg n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtg n GLY 87 N 0.63 0.62 0.78 0.00 0.00 -0.25 -4.91 105.19 102.06 1jtg n GLY 87 Ca 0.10 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1jtg n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jtg n GLN 88 N -2.69 1.72 -3.69 1.61 6.02 0.16 -4.96 117.38 115.55 1jtg n GLN 88 Ca -0.04 -1.66 -0.12 0.00 -0.01 0.00 0.00 57.00 55.18 1jtg n GLN 88 Cb 0.18 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 1jtg n GLN 88 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1jtg s GLU 89 N -1.64 0.91 0.01 -1.09 2.56 -1.17 -4.91 118.70 113.38 1jtg s GLU 89 Ca 0.23 -0.50 0.05 0.00 0.00 0.00 0.00 54.97 54.75 1jtg s GLU 89 Cb 0.16 0.40 -0.02 0.00 2.00 0.00 0.00 34.13 36.68 1jtg s GLU 89 CO 0.25 -0.32 -0.16 -0.65 -0.56 0.00 0.00 175.26 173.82 1jtg s GLN 90 N -2.82 1.20 0.40 4.30 1.11 -1.26 -4.25 119.66 118.34 1jtg s GLN 90 Ca -0.03 -0.67 0.07 0.00 0.01 0.00 0.00 55.36 54.74 1jtg s GLN 90 Cb -0.00 -1.20 0.81 0.00 -1.01 0.00 0.00 33.01 31.61 1jtg s GLN 90 CO -0.05 0.32 2.01 -0.07 0.01 0.00 0.00 175.29 177.51 1jtg h LEU 91 N 5.41 0.44 -1.04 2.90 3.38 -1.97 -2.75 115.31 121.67 1jtg h LEU 91 Ca -0.37 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1jtg h LEU 91 Cb 1.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1jtg h LEU 91 CO 0.47 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1jtg n GLY 92 N -1.30 0.20 3.69 0.83 0.00 -1.26 -1.14 105.19 106.21 1jtg n GLY 92 Ca 0.02 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1jtg n GLY 92 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jtg s ARG 93 N -1.82 4.22 -0.05 1.61 3.52 -1.04 -4.78 118.95 120.61 1jtg s ARG 93 Ca 0.33 2.22 -0.25 0.00 -0.13 0.00 0.00 55.73 57.90 1jtg s ARG 93 Cb 0.18 -3.63 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1jtg s ARG 93 CO 0.27 -0.70 0.76 0.50 -0.81 0.00 0.00 175.30 175.32 1jtg s ARG 94 N 2.70 4.46 -0.19 5.12 3.52 -1.26 -1.49 118.95 131.80 1jtg s ARG 94 Ca 0.71 1.00 -0.06 0.00 -0.13 0.00 0.00 55.73 57.25 1jtg s ARG 94 Cb -0.37 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.54 1jtg s ARG 94 CO 0.30 0.03 0.03 0.42 -0.81 0.00 0.00 175.30 175.28 1jtg s ILE 95 N 0.86 4.31 -0.11 4.11 1.01 0.14 -4.93 121.20 126.59 1jtg s ILE 95 Ca 0.41 -0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 1jtg s ILE 95 Cb -0.18 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1jtg s ILE 95 CO 0.20 0.44 0.12 -1.00 0.00 0.00 0.00 174.94 174.70 1jtg s HIS 96 N 0.74 3.53 0.33 3.97 3.76 -1.26 -1.67 115.29 124.69 1jtg s HIS 96 Ca 0.01 0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1jtg s HIS 96 Cb -0.14 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1jtg s HIS 96 CO 0.02 0.70 0.39 2.48 -0.85 0.00 0.00 174.74 177.48 1jtg n TYR 97 N 1.97 -1.16 -3.85 1.40 4.11 -1.26 -5.05 117.16 113.32 1jtg n TYR 97 Ca -0.19 -2.40 -0.04 0.00 -0.00 0.00 0.00 57.90 55.27 1jtg n TYR 97 Cb 0.55 0.43 -0.01 0.00 -0.00 0.00 0.00 39.34 40.31 1jtg n TYR 97 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73 1jtg n SER 98 N -1.69 -0.25 -0.19 9.48 3.41 -1.26 -4.91 113.62 118.21 1jtg n SER 98 Ca 0.03 -1.46 0.10 0.00 -0.26 0.00 0.00 58.87 57.28 1jtg n SER 98 Cb 0.56 0.50 0.41 0.00 -0.26 0.00 0.00 64.21 65.42 1jtg n SER 98 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1jtg h GLN 99 N 0.00 0.61 0.00 4.33 7.50 -1.98 -1.30 115.11 124.26 1jtg h GLN 99 Ca -0.06 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.05 1jtg h GLN 99 Cb 0.27 -0.14 -0.00 0.00 0.05 0.00 0.00 27.48 27.66 1jtg h GLN 99 CO 0.08 0.40 -0.01 -0.97 -1.50 0.00 0.00 178.83 176.83 1jtg h ASN 100 N 0.63 0.00 1.10 1.46 -1.24 -2.05 -2.20 115.58 113.28 1jtg h ASN 100 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1jtg h ASN 100 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 1jtg h ASN 100 CO -0.13 0.01 -0.57 0.44 -1.29 0.00 0.00 177.43 175.89 1jtg h ASP 101 N 0.00 0.00 -3.41 1.15 3.32 -1.64 -3.47 116.42 112.37 1jtg h ASP 101 Ca -0.00 -0.11 -0.52 0.00 0.02 0.00 0.00 57.03 56.42 1jtg h ASP 101 Cb 0.05 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.63 1jtg h ASP 101 CO 0.00 0.05 0.62 -0.76 -1.72 0.00 0.00 179.24 177.44 1jtg s LEU 102 N -4.79 4.42 0.27 1.55 1.43 -0.83 -4.83 118.68 115.91 1jtg s LEU 102 Ca 0.05 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 1jtg s LEU 102 Cb 0.11 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 1jtg s LEU 102 CO 0.72 -0.48 0.03 0.68 0.23 0.00 0.00 176.35 177.53 1jtg s VAL 103 N 0.07 1.04 0.25 -1.59 -7.23 -1.26 -5.07 120.40 106.62 1jtg s VAL 103 Ca 0.55 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.42 1jtg s VAL 103 Cb -0.35 -2.56 -0.15 0.00 0.56 0.00 0.00 36.38 33.88 1jtg s VAL 103 CO 0.38 -0.16 0.93 1.21 -0.31 0.00 0.00 175.10 177.15 1jtg n GLU 104 N -0.53 1.04 -2.57 4.82 2.13 -1.26 -3.71 120.64 120.56 1jtg n GLU 104 Ca -0.03 0.37 -0.06 0.00 0.66 0.00 0.00 57.16 58.10 1jtg n GLU 104 Cb 0.65 -1.68 0.03 0.00 0.27 0.00 0.00 31.44 30.71 1jtg n GLU 104 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jtg n TYR 105 N 0.34 -1.72 -2.98 4.31 4.02 -1.26 -4.52 117.16 115.35 1jtg n TYR 105 Ca 0.12 0.62 -0.21 0.00 -0.01 0.00 0.00 57.90 58.43 1jtg n TYR 105 Cb 0.29 -3.39 -0.02 0.00 -0.02 0.00 0.00 39.34 36.20 1jtg n TYR 105 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1jtg n SER 106 N -2.14 2.44 -0.29 7.72 7.64 -1.24 -0.84 113.62 126.91 1jtg n SER 106 Ca -0.03 -3.26 -0.00 0.00 1.01 0.00 0.00 58.87 56.59 1jtg n SER 106 Cb 0.54 -0.58 0.12 0.00 -1.01 0.00 0.00 64.21 63.29 1jtg n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jtg h PRO 107 N 2.96 0.88 0.02 1.43 0.13 -1.93 -0.82 132.00 134.66 1jtg h PRO 107 Ca 0.10 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1jtg h PRO 107 Cb 0.84 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jtg h PRO 107 CO 0.63 0.58 -0.55 0.28 -0.23 0.00 0.00 178.00 178.71 1jtg h VAL 108 N 0.90 1.45 -0.21 1.56 2.07 -1.95 -3.23 116.25 116.85 1jtg h VAL 108 Ca 0.35 -2.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.51 1jtg h VAL 108 Cb 0.15 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1jtg h VAL 108 CO -0.16 0.54 -0.02 0.71 0.02 0.00 0.00 177.57 178.65 1jtg h THR 109 N -0.89 1.15 -0.40 2.57 1.35 -1.97 -2.10 112.91 112.62 1jtg h THR 109 Ca -0.14 -0.60 -0.11 0.00 -0.55 0.00 0.00 66.41 65.01 1jtg h THR 109 Cb 1.20 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1jtg h THR 109 CO -0.05 0.20 -0.20 -0.08 -0.25 0.00 0.00 175.52 175.15 1jtg h GLU 110 N 0.31 0.78 -0.31 4.72 4.22 -1.27 -2.45 114.58 120.57 1jtg h GLU 110 Ca 0.07 -0.30 -0.07 0.00 0.08 0.00 0.00 59.36 59.15 1jtg h GLU 110 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1jtg h GLU 110 CO 0.01 0.91 -0.09 -0.22 -2.18 0.00 0.00 179.01 177.44 1jtg h LYS 111 N 0.68 0.51 -0.63 1.92 3.11 -1.41 -2.99 116.57 117.77 1jtg h LYS 111 Ca 0.10 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1jtg h LYS 111 Cb 0.70 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1jtg h LYS 111 CO 0.05 0.61 0.00 0.72 -2.81 0.00 0.00 179.45 178.02 1jtg n HIS 112 N -4.22 0.85 -0.31 1.91 8.25 -0.91 -4.63 115.22 116.16 1jtg n HIS 112 Ca 0.01 -0.42 0.16 0.00 -0.26 0.00 0.00 57.72 57.21 1jtg n HIS 112 Cb 0.30 -0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.75 1jtg n HIS 112 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1jtg h LEU 113 N 3.67 0.21 -0.08 2.41 5.85 -1.29 -0.21 115.31 125.87 1jtg h LEU 113 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1jtg h LEU 113 Cb 0.85 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1jtg h LEU 113 CO 0.00 -0.12 0.00 0.71 -0.34 0.00 0.00 178.44 178.70 1jtg h THR 114 N 0.28 0.00 0.00 1.05 1.35 -1.86 -3.33 112.91 110.40 1jtg h THR 114 Ca 0.60 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1jtg h THR 114 Cb 1.25 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1jtg h THR 114 CO -0.62 0.00 -1.51 0.47 -0.25 0.00 0.00 175.52 173.62 1jtg n ASP 115 N -2.85 0.95 0.00 5.36 8.00 -0.25 -5.09 116.55 122.67 1jtg n ASP 115 Ca 0.04 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1jtg n ASP 115 Cb 0.49 1.57 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 1jtg n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtg n GLY 116 N 1.48 -1.66 3.08 0.44 0.00 -0.26 -4.97 105.19 103.30 1jtg n GLY 116 Ca -0.01 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 1jtg n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jtg s MET 117 N -1.65 0.43 0.64 1.61 -1.94 -0.67 -4.88 119.30 112.83 1jtg s MET 117 Ca 0.00 -0.37 -0.08 0.00 -1.71 0.00 0.00 55.69 53.53 1jtg s MET 117 Cb 0.00 0.18 0.01 0.00 2.01 0.00 0.00 34.83 37.03 1jtg s MET 117 CO 0.00 -0.10 0.98 0.95 -0.01 0.00 0.00 175.02 176.84 1jtg s THR 118 N -1.25 3.60 0.19 2.05 -4.23 -1.26 0.24 115.64 114.98 1jtg s THR 118 Ca -0.13 0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.45 1jtg s THR 118 Cb -0.07 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.41 1jtg s THR 118 CO 0.01 -0.54 1.73 0.58 -0.54 0.00 0.00 174.62 175.86 1jtg h VAL 119 N -0.36 0.74 -0.55 2.29 2.07 -1.18 0.68 116.25 119.94 1jtg h VAL 119 Ca -0.45 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.02 1jtg h VAL 119 Cb 1.25 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1jtg h VAL 119 CO 0.62 0.05 0.27 -0.09 0.02 0.00 0.00 177.57 178.44 1jtg h ARG 120 N 0.28 0.51 -0.16 1.57 2.43 -1.43 -1.45 114.38 116.13 1jtg h ARG 120 Ca 0.26 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1jtg h ARG 120 Cb 0.33 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1jtg h ARG 120 CO -0.31 0.33 -0.32 0.93 -1.51 0.00 0.00 179.97 179.10 1jtg h GLU 121 N 0.52 0.32 -0.43 0.20 5.08 -1.48 -1.88 114.58 116.92 1jtg h GLU 121 Ca 0.25 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1jtg h GLU 121 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1jtg h GLU 121 CO -0.18 0.61 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.16 1jtg h LEU 122 N 0.28 0.93 -0.53 1.33 3.38 -0.27 0.06 115.31 120.49 1jtg h LEU 122 Ca 0.04 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 1jtg h LEU 122 Cb 0.70 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1jtg h LEU 122 CO 0.05 1.13 -0.09 0.00 0.09 0.00 0.00 178.44 179.62 1jtg h SER 124 N 0.86 0.77 -0.44 0.00 0.87 -1.18 -0.91 113.55 113.52 1jtg h SER 124 Ca 0.14 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1jtg h SER 124 Cb 0.65 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1jtg h SER 124 CO 0.05 0.55 -0.14 0.00 -0.53 0.00 0.00 176.83 176.76 1jtg h ALA 125 N 1.26 0.62 -0.30 6.23 0.00 -0.61 0.28 119.26 126.73 1jtg h ALA 125 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jtg h ALA 125 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jtg h ALA 125 CO -0.06 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.79 1jtg h ALA 126 N 0.86 0.39 0.11 0.00 0.00 -0.90 -1.59 119.26 118.13 1jtg h ALA 126 Ca 0.11 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1jtg h ALA 126 Cb 0.69 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1jtg h ALA 126 CO 0.05 0.06 -0.71 0.82 0.00 0.00 0.00 179.25 179.47 1jtg h ILE 127 N 0.32 1.52 0.00 0.00 2.04 -1.14 -1.98 117.51 118.26 1jtg h ILE 127 Ca 0.09 -2.43 -0.19 0.00 1.00 0.00 0.00 64.86 63.33 1jtg h ILE 127 Cb 0.30 3.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.45 1jtg h ILE 127 CO 0.00 0.69 -1.07 0.71 0.00 0.00 0.00 178.15 178.48 1jtg h THR 128 N -0.37 1.10 -0.00 -0.27 1.35 -1.05 -3.37 112.91 110.29 1jtg h THR 128 Ca -0.12 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1jtg h THR 128 Cb 1.53 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 1jtg h THR 128 CO 0.13 0.63 -0.01 0.23 -0.25 0.00 0.00 175.52 176.25 1jtg n MET 129 N -3.18 -0.14 -3.51 4.72 2.81 -0.65 -2.24 117.12 114.93 1jtg n MET 129 Ca -0.04 -0.64 -0.26 0.00 -1.81 0.00 0.00 57.70 54.95 1jtg n MET 129 Cb 0.89 -1.03 0.03 0.00 -0.71 0.00 0.00 33.22 32.40 1jtg n MET 129 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1jtg n SER 130 N 0.10 -5.29 -4.64 7.83 7.64 -0.75 -4.88 113.62 113.63 1jtg n SER 130 Ca 0.02 -0.53 -0.43 0.00 1.01 0.00 0.00 58.87 58.95 1jtg n SER 130 Cb 0.08 -4.24 -0.03 0.00 -1.01 0.00 0.00 64.21 59.01 1jtg n SER 130 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jtg s ASP 131 N -3.03 6.45 0.19 6.43 2.15 -0.87 -4.90 116.67 123.09 1jtg s ASP 131 Ca 0.51 1.82 -0.07 0.00 0.43 0.00 0.00 52.55 55.24 1jtg s ASP 131 Cb -0.24 -2.53 0.11 0.00 -0.30 0.00 0.00 42.92 39.95 1jtg s ASP 131 CO 0.62 -1.17 1.61 0.78 -0.17 0.00 0.00 175.17 176.84 1jtg h ASN 132 N 10.46 0.92 -0.13 -0.34 -0.26 -1.22 -2.69 115.58 122.32 1jtg h ASN 132 Ca -0.35 -0.32 -0.11 0.00 -0.56 0.00 0.00 56.30 54.95 1jtg h ASN 132 Cb 1.16 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.16 1jtg h ASN 132 CO 0.98 1.08 -0.29 0.74 -1.06 0.00 0.00 177.43 178.88 1jtg h THR 133 N 0.80 1.28 -0.57 2.81 2.02 -1.83 -1.74 112.91 115.68 1jtg h THR 133 Ca 0.12 -1.39 0.03 0.00 0.77 0.00 0.00 66.41 65.94 1jtg h THR 133 Cb 0.72 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1jtg h THR 133 CO 0.06 0.45 0.33 0.00 0.37 0.00 0.00 175.52 176.73 1jtg h ALA 134 N 1.16 0.73 -0.72 6.16 0.00 -1.86 0.00 119.26 124.73 1jtg h ALA 134 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jtg h ALA 134 Cb 0.77 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1jtg h ALA 134 CO 0.06 0.04 0.18 0.00 0.00 0.00 0.00 179.25 179.54 1jtg h ALA 135 N 1.26 0.95 -0.66 0.00 0.00 -1.14 -1.30 119.26 118.37 1jtg h ALA 135 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1jtg h ALA 135 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1jtg h ALA 135 CO -0.11 0.66 0.16 -0.91 0.00 0.00 0.00 179.25 179.05 1jtg h ASN 136 N 1.08 0.99 -0.52 0.00 2.35 -0.56 0.76 115.58 119.68 1jtg h ASN 136 Ca 0.23 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1jtg h ASN 136 Cb 0.36 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1jtg h ASN 136 CO 0.00 0.95 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.56 1jtg h LEU 137 N 1.00 1.01 -0.58 1.61 3.38 -0.71 -0.70 115.31 120.32 1jtg h LEU 137 Ca 0.21 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1jtg h LEU 137 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jtg h LEU 137 CO 0.00 1.12 -0.15 -0.07 0.09 0.00 0.00 178.44 179.42 1jtg h LEU 138 N 0.90 0.99 -0.65 1.67 3.38 -1.01 -2.36 115.31 118.23 1jtg h LEU 138 Ca 0.14 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1jtg h LEU 138 Cb 0.66 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1jtg h LEU 138 CO 0.05 1.12 0.38 -0.07 0.09 0.00 0.00 178.44 180.01 1jtg h LEU 139 N 0.86 0.58 -1.24 1.67 3.38 -0.47 -1.56 115.31 118.53 1jtg h LEU 139 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1jtg h LEU 139 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1jtg h LEU 139 CO 0.05 0.39 0.34 0.71 0.09 0.00 0.00 178.44 180.02 1jtg h THR 140 N 0.71 1.19 0.00 0.22 1.35 -0.72 0.75 112.91 116.41 1jtg h THR 140 Ca 0.28 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1jtg h THR 140 Cb 0.12 0.35 -0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1jtg h THR 140 CO -0.15 0.21 -0.04 0.71 -0.25 0.00 0.00 175.52 176.00 1jtg h THR 141 N 0.87 0.23 -0.35 6.82 1.35 -0.78 -2.38 112.91 118.67 1jtg h THR 141 Ca 0.22 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1jtg h THR 141 Cb 0.03 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1jtg h THR 141 CO -0.04 0.04 0.00 2.30 -0.25 0.00 0.00 175.52 177.58 1jtg n ILE 142 N -3.32 0.70 -0.07 6.82 -5.35 -0.82 -4.97 119.36 112.35 1jtg n ILE 142 Ca -0.02 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1jtg n ILE 142 Cb 0.19 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 1jtg n ILE 142 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jtg n GLY 143 N 0.92 0.85 0.00 3.28 0.00 -0.89 -4.71 105.19 104.63 1jtg n GLY 143 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jtg n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtg n GLY 144 N -2.05 0.43 0.26 -0.02 0.00 0.20 -4.28 105.19 99.72 1jtg n GLY 144 Ca 0.00 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 44.10 1jtg n GLY 144 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtg h PRO 145 N 0.00 0.30 -0.96 1.61 0.11 -1.86 -1.25 132.00 129.95 1jtg h PRO 145 Ca 0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.17 1jtg h PRO 145 Cb 0.00 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 30.98 1jtg h PRO 145 CO 0.00 0.20 0.62 -0.22 -0.21 0.00 0.00 178.00 178.39 1jtg h LYS 146 N 0.30 1.04 0.00 1.05 3.64 -1.83 -0.54 116.57 120.24 1jtg h LYS 146 Ca 0.39 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1jtg h LYS 146 Cb 0.63 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1jtg h LYS 146 CO -0.46 0.69 -0.61 0.93 -2.27 0.00 0.00 179.45 177.73 1jtg h GLU 147 N 1.07 0.00 -0.38 1.90 5.08 -1.44 -1.28 114.58 119.53 1jtg h GLU 147 Ca 0.43 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.65 1jtg h GLU 147 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1jtg h GLU 147 CO -0.18 0.61 -0.31 1.25 -1.00 0.00 0.00 179.01 179.38 1jtg h LEU 148 N 0.00 0.93 -0.86 1.33 5.85 -0.71 -1.68 115.31 120.18 1jtg h LEU 148 Ca -0.01 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1jtg h LEU 148 Cb 1.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1jtg h LEU 148 CO 0.08 1.19 0.14 0.74 -0.34 0.00 0.00 178.44 180.24 1jtg h THR 149 N 0.69 1.25 -0.86 1.05 2.02 -0.97 -1.67 112.91 114.42 1jtg h THR 149 Ca 0.07 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 1jtg h THR 149 Cb 0.90 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1jtg h THR 149 CO 0.08 0.35 0.44 0.00 0.37 0.00 0.00 175.52 176.76 1jtg h ALA 150 N 1.20 1.16 -0.73 6.16 0.00 -1.05 -0.86 119.26 125.14 1jtg h ALA 150 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jtg h ALA 150 Cb 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jtg h ALA 150 CO 0.00 0.66 0.36 0.35 0.00 0.00 0.00 179.25 180.62 1jtg h PHE 151 N 1.21 1.03 -0.36 0.00 3.57 -0.79 -0.81 116.94 120.79 1jtg h PHE 151 Ca 0.30 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1jtg h PHE 151 Cb 0.07 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1jtg h PHE 151 CO 0.01 0.75 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.71 1jtg h LEU 152 N 1.01 0.67 -0.69 0.59 3.38 -0.75 -2.65 115.31 116.87 1jtg h LEU 152 Ca 0.25 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jtg h LEU 152 Cb 0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1jtg h LEU 152 CO -0.03 0.87 0.41 -0.74 0.09 0.00 0.00 178.44 179.03 1jtg h HIS 153 N 0.47 0.75 0.00 1.13 2.76 -0.84 -1.09 115.15 118.34 1jtg h HIS 153 Ca 0.09 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1jtg h HIS 153 Cb 0.56 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1jtg h HIS 153 CO 0.05 0.38 -0.14 -0.91 -1.30 0.00 0.00 177.93 176.01 1jtg h ASN 154 N 0.76 0.00 -0.47 3.26 -0.26 -0.91 -1.72 115.58 116.24 1jtg h ASN 154 Ca 0.30 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 1jtg h ASN 154 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1jtg h ASN 154 CO -0.16 0.14 0.00 1.15 -1.06 0.00 0.00 177.43 177.50 1jtg n MET 155 N -4.13 3.42 -0.27 0.81 0.00 -0.58 -4.91 117.12 111.46 1jtg n MET 155 Ca -0.02 -2.24 0.00 0.00 0.00 0.00 0.00 57.70 55.43 1jtg n MET 155 Cb 0.21 -1.88 0.00 0.00 0.00 0.00 0.00 33.22 31.56 1jtg n MET 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jtg n GLY 156 N 0.75 0.66 3.35 3.17 0.00 -0.65 -5.04 105.19 107.43 1jtg n GLY 156 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 1jtg n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jtg s ASP 157 N -2.90 6.18 -0.11 1.61 -1.08 -0.52 -4.87 116.67 114.99 1jtg s ASP 157 Ca 0.00 -1.54 0.18 0.00 -0.52 0.00 0.00 52.55 50.67 1jtg s ASP 157 Cb 0.00 -2.24 0.70 0.00 -1.46 0.00 0.00 42.92 39.92 1jtg s ASP 157 CO 0.00 -0.92 1.61 1.41 0.52 0.00 0.00 175.17 177.78 1jtg n HIS 158 N 5.69 1.45 -0.07 -5.34 8.25 -1.26 -3.00 115.22 120.93 1jtg n HIS 158 Ca -0.12 -0.58 -0.14 0.00 -0.26 0.00 0.00 57.72 56.63 1jtg n HIS 158 Cb 0.42 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1jtg n HIS 158 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1jtg n VAL 159 N 1.12 0.99 -1.89 1.59 0.31 -1.26 -5.00 118.33 114.19 1jtg n VAL 159 Ca 0.25 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 64.07 1jtg n VAL 159 Cb 0.86 -1.79 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 1jtg n VAL 159 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1jtg s THR 160 N -2.34 2.43 -0.02 2.52 2.01 -1.26 -4.79 115.64 114.19 1jtg s THR 160 Ca -0.20 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1jtg s THR 160 Cb 0.07 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.38 1jtg s THR 160 CO 0.27 0.04 0.05 0.00 -0.69 0.00 0.00 174.62 174.28 1jtg s ARG 161 N 0.48 0.03 -0.14 4.92 1.70 -0.74 -4.89 118.95 120.31 1jtg s ARG 161 Ca 0.67 0.12 -0.01 0.00 -0.47 0.00 0.00 55.73 56.04 1jtg s ARG 161 Cb -0.45 -0.06 -0.01 0.00 -0.57 0.00 0.00 34.95 33.86 1jtg s ARG 161 CO 0.37 -0.06 -0.12 -1.17 -1.08 0.00 0.00 175.30 173.25 1jtg s LEU 162 N 0.37 2.76 -0.01 -1.89 2.96 -1.26 -2.69 118.68 118.92 1jtg s LEU 162 Ca -0.03 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1jtg s LEU 162 Cb -0.04 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1jtg s LEU 162 CO -0.01 0.14 0.01 0.47 -1.32 0.00 0.00 176.35 175.64 1jtg n ASP 163 N 3.68 4.66 -4.58 3.68 9.92 -1.26 -4.27 116.55 128.37 1jtg n ASP 163 Ca -0.18 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.79 1jtg n ASP 163 Cb 0.52 0.61 -0.09 0.00 -0.64 0.00 0.00 41.12 41.52 1jtg n ASP 163 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1jtg s ARG 164 N -2.04 2.03 0.53 -1.24 0.52 -1.26 -4.85 118.95 112.64 1jtg s ARG 164 Ca -0.01 -2.24 0.09 0.00 -0.52 0.00 0.00 55.73 53.06 1jtg s ARG 164 Cb 0.00 -1.32 0.07 0.00 0.52 0.00 0.00 34.95 34.22 1jtg s ARG 164 CO 0.06 -0.28 0.73 -1.58 0.02 0.00 0.00 175.30 174.25 1jtg s TRP 165 N -2.94 1.77 0.34 -0.53 0.52 -1.26 -4.73 118.94 112.11 1jtg s TRP 165 Ca 0.20 -0.64 -0.26 0.00 0.02 0.00 0.00 56.10 55.42 1jtg s TRP 165 Cb 0.05 -2.25 -0.10 0.00 -1.15 0.00 0.00 33.47 30.02 1jtg s TRP 165 CO 0.10 -0.96 1.00 -1.21 0.02 0.00 0.00 176.95 175.90 1jtg s GLU 166 N -4.58 4.47 0.00 4.98 0.41 -1.26 -1.73 118.70 120.99 1jtg s GLU 166 Ca 0.60 1.45 0.25 0.00 -0.41 0.00 0.00 54.97 56.85 1jtg s GLU 166 Cb -0.07 -2.78 0.36 0.00 -1.78 0.00 0.00 34.13 29.85 1jtg s GLU 166 CO 0.37 0.15 1.34 -0.35 -0.49 0.00 0.00 175.26 176.28 1jtg n PRO 167 N 0.47 1.89 0.24 0.39 -0.04 -1.26 -4.92 135.00 131.77 1jtg n PRO 167 Ca 0.02 -1.47 0.13 0.00 -0.04 0.00 0.00 63.50 62.14 1jtg n PRO 167 Cb 0.49 -1.47 0.77 0.00 -0.04 0.00 0.00 33.50 33.26 1jtg n PRO 167 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jtg h GLU 168 N 3.59 0.00 0.00 0.54 3.07 -1.81 -2.65 114.58 117.33 1jtg h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jtg h GLU 168 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1jtg h GLU 168 CO 0.00 0.00 0.00 1.47 -1.40 0.00 0.00 179.01 179.08 1jtg n LEU 169 N -4.15 0.00 -0.92 1.33 -0.00 -0.71 -2.06 117.00 110.49 1jtg n LEU 169 Ca -0.01 0.41 0.11 0.00 -0.00 0.00 0.00 56.01 56.52 1jtg n LEU 169 Cb 0.18 -0.41 0.27 0.00 -0.00 0.00 0.00 43.42 43.45 1jtg n LEU 169 CO 0.31 -0.32 0.73 0.59 -0.00 0.00 0.00 177.39 178.69 1jtg n ASN 170 N -1.41 2.75 -0.35 1.45 3.02 -1.00 -4.51 115.26 115.21 1jtg n ASN 170 Ca 0.02 -1.89 0.02 0.00 -0.03 0.00 0.00 54.58 52.70 1jtg n ASN 170 Cb 0.07 -0.20 0.18 0.00 -0.61 0.00 0.00 39.78 39.22 1jtg n ASN 170 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1jtg h GLU 171 N 3.56 1.15 -6.09 3.52 4.81 -1.63 -0.59 114.58 119.31 1jtg h GLU 171 Ca 0.00 -0.07 -0.42 0.00 -0.13 0.00 0.00 59.36 58.74 1jtg h GLU 171 Cb 0.78 -0.26 0.05 0.00 0.63 0.00 0.00 28.75 29.95 1jtg h GLU 171 CO 0.00 0.76 -0.80 0.00 -0.73 0.00 0.00 179.01 178.24 1jtg n ALA 172 N -2.38 -1.81 -2.06 2.92 0.00 -1.26 -4.44 120.51 111.48 1jtg n ALA 172 Ca 0.14 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1jtg n ALA 172 Cb 0.14 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 16.79 1jtg n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jtg s ILE 173 N -3.54 3.14 0.28 0.00 -1.09 -1.26 -4.79 121.20 113.94 1jtg s ILE 173 Ca 0.19 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.18 1jtg s ILE 173 Cb -0.09 -3.56 -0.13 0.00 -1.58 0.00 0.00 42.46 37.10 1jtg s ILE 173 CO 0.81 0.10 1.38 -2.65 -1.23 0.00 0.00 174.94 173.34 1jtg n PRO 174 N 3.31 2.14 -0.81 2.79 -0.02 -1.26 -1.79 135.00 139.36 1jtg n PRO 174 Ca 0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1jtg n PRO 174 Cb 0.42 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1jtg n PRO 174 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jtg n ASN 175 N 1.62 0.00 -4.70 2.55 3.02 -1.26 -4.98 115.26 111.50 1jtg n ASN 175 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1jtg n ASN 175 Cb 0.34 -0.92 -0.04 0.00 -0.61 0.00 0.00 39.78 38.55 1jtg n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jtg s ASP 176 N -2.64 7.05 0.00 6.41 -1.08 -0.74 -4.94 116.67 120.72 1jtg s ASP 176 Ca 0.00 1.27 0.26 0.00 -0.52 0.00 0.00 52.55 53.56 1jtg s ASP 176 Cb 0.00 -2.45 0.75 0.00 -1.46 0.00 0.00 42.92 39.76 1jtg s ASP 176 CO 0.00 -0.22 1.57 -0.62 0.52 0.00 0.00 175.17 176.42 1jtg n GLU 177 N 4.20 0.96 -2.01 4.34 1.02 -1.26 -4.86 120.64 123.02 1jtg n GLU 177 Ca 0.02 -0.58 -0.40 0.00 -0.02 0.00 0.00 57.16 56.18 1jtg n GLU 177 Cb 0.51 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1jtg n GLU 177 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1jtg s ARG 178 N -2.44 3.93 -1.43 3.49 0.52 -1.26 -3.15 118.95 118.60 1jtg s ARG 178 Ca 0.26 2.20 -0.11 0.00 -0.52 0.00 0.00 55.73 57.56 1jtg s ARG 178 Cb 0.19 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.96 1jtg s ARG 178 CO 0.50 -0.54 1.11 -0.25 0.02 0.00 0.00 175.30 176.13 1jtg n ASP 179 N 0.08 -5.76 -4.50 0.23 10.43 -1.15 -4.93 116.55 110.96 1jtg n ASP 179 Ca 0.04 -0.64 -0.24 0.00 2.57 0.00 0.00 54.79 56.52 1jtg n ASP 179 Cb 0.43 -4.56 -0.10 0.00 1.84 0.00 0.00 41.12 38.73 1jtg n ASP 179 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1jtg s THR 180 N -3.31 2.06 0.32 -3.53 -4.23 -1.09 -1.70 115.64 104.15 1jtg s THR 180 Ca 0.62 -2.20 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 1jtg s THR 180 Cb -0.29 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1jtg s THR 180 CO 0.77 -0.25 0.31 0.28 -0.54 0.00 0.00 174.62 175.19 1jtg s THR 181 N -2.74 0.00 0.08 3.99 -1.32 -0.31 -1.78 115.64 113.56 1jtg s THR 181 Ca 0.31 -1.89 0.08 0.00 -1.21 0.00 0.00 61.69 58.98 1jtg s THR 181 Cb 0.02 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1jtg s THR 181 CO 0.15 0.00 -0.19 -0.04 -2.21 0.00 0.00 174.62 172.33 1jtg s MET 182 N -3.43 1.91 0.23 7.08 -1.94 -1.26 -1.11 119.30 120.78 1jtg s MET 182 Ca 0.38 -1.09 -0.08 0.00 -1.71 0.00 0.00 55.69 53.19 1jtg s MET 182 Cb 0.02 -2.14 0.38 0.00 2.01 0.00 0.00 34.83 35.10 1jtg s MET 182 CO 0.24 0.51 1.67 -1.35 -0.01 0.00 0.00 175.02 176.08 1jtg h PRO 183 N 4.16 0.17 -0.26 2.03 0.11 -1.69 -0.69 132.00 135.83 1jtg h PRO 183 Ca -0.49 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1jtg h PRO 183 Cb 1.16 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1jtg h PRO 183 CO 0.46 0.11 -0.21 -0.24 -0.21 0.00 0.00 178.00 177.92 1jtg h VAL 184 N 0.18 1.25 -0.17 3.15 3.04 -1.71 -1.23 116.25 120.75 1jtg h VAL 184 Ca 0.37 -1.18 -0.07 0.00 -1.01 0.00 0.00 66.70 64.81 1jtg h VAL 184 Cb 0.63 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1jtg h VAL 184 CO -0.54 0.38 -0.17 0.00 -1.01 0.00 0.00 177.57 176.23 1jtg h ALA 185 N 1.35 0.25 -0.68 3.17 0.00 -1.46 -2.06 119.26 119.83 1jtg h ALA 185 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1jtg h ALA 185 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1jtg h ALA 185 CO 0.04 0.15 0.36 1.98 0.00 0.00 0.00 179.25 181.78 1jtg h MET 186 N 0.07 0.96 -0.53 0.00 -1.53 -1.04 -0.57 114.93 112.29 1jtg h MET 186 Ca 0.03 -0.12 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 1jtg h MET 186 Cb 0.70 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.54 1jtg h MET 186 CO 0.04 0.74 0.26 0.00 0.14 0.00 0.00 176.91 178.09 1jtg h ALA 187 N 1.17 0.68 -0.30 0.39 0.00 -1.18 0.15 119.26 120.17 1jtg h ALA 187 Ca 0.24 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1jtg h ALA 187 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jtg h ALA 187 CO -0.04 0.24 -0.43 1.15 0.00 0.00 0.00 179.25 180.18 1jtg h THR 188 N 0.71 1.29 -0.37 0.00 2.02 -1.17 -1.36 112.91 114.02 1jtg h THR 188 Ca 0.18 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.64 1jtg h THR 188 Cb 0.10 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1jtg h THR 188 CO -0.02 0.52 -0.20 0.74 0.37 0.00 0.00 175.52 176.93 1jtg h THR 189 N 0.61 1.28 -0.76 3.16 2.02 -0.95 -1.71 112.91 116.57 1jtg h THR 189 Ca 0.04 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1jtg h THR 189 Cb 0.98 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1jtg h THR 189 CO 0.09 0.44 0.38 0.25 0.37 0.00 0.00 175.52 177.05 1jtg h LEU 190 N 0.58 0.99 -0.49 2.58 5.85 -0.89 -1.21 115.31 122.72 1jtg h LEU 190 Ca 0.08 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jtg h LEU 190 Cb 0.75 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1jtg h LEU 190 CO 0.06 0.84 0.27 -0.09 -0.34 0.00 0.00 178.44 179.18 1jtg h ARG 191 N 1.07 0.53 -0.78 1.25 2.43 -1.00 -0.90 114.38 116.99 1jtg h ARG 191 Ca 0.26 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1jtg h ARG 191 Cb 0.11 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1jtg h ARG 191 CO -0.03 0.35 0.41 0.87 -1.51 0.00 0.00 179.97 180.06 1jtg h LYS 192 N 0.54 1.08 -0.39 0.20 1.57 -0.80 0.29 116.57 119.07 1jtg h LYS 192 Ca 0.20 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1jtg h LYS 192 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1jtg h LYS 192 CO -0.11 0.80 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.24 1jtg h LEU 193 N 1.09 0.91 0.00 2.94 3.38 -0.72 -0.53 115.31 122.38 1jtg h LEU 193 Ca 0.27 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 1jtg h LEU 193 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1jtg h LEU 193 CO -0.04 1.14 -0.99 -0.07 0.09 0.00 0.00 178.44 178.57 1jtg h LEU 194 N 0.68 0.00 0.00 1.67 3.38 -0.93 -3.40 115.31 116.71 1jtg h LEU 194 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jtg h LEU 194 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1jtg h LEU 194 CO 0.07 0.71 -0.85 0.35 0.09 0.00 0.00 178.44 178.81 1jtg n THR 195 N -3.15 0.00 -0.75 0.22 -2.24 0.07 -4.97 114.28 103.46 1jtg n THR 195 Ca -0.04 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1jtg n THR 195 Cb 0.85 0.55 0.18 0.00 -2.10 0.00 0.00 70.33 69.81 1jtg n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtg n GLY 196 N 2.24 -2.90 0.91 3.38 0.00 -0.21 -4.94 105.19 103.67 1jtg n GLY 196 Ca 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.69 1jtg n GLY 196 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jtg n GLU 197 N -3.98 2.20 0.08 1.61 0.28 -1.26 -4.33 120.64 115.24 1jtg n GLU 197 Ca 0.10 -1.80 -0.12 0.00 -0.16 0.00 0.00 57.16 55.19 1jtg n GLU 197 Cb 0.41 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 1jtg n GLU 197 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jtg h LEU 198 N 3.65 -0.49 -9.56 -1.84 7.12 -1.92 -3.43 115.31 108.84 1jtg h LEU 198 Ca 0.00 0.06 -0.61 0.00 0.13 0.00 0.00 57.88 57.46 1jtg h LEU 198 Cb 0.80 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 41.02 1jtg h LEU 198 CO 0.00 -0.24 -0.63 -0.76 -0.13 0.00 0.00 178.44 176.67 1jtg s LEU 199 N -10.29 3.51 0.86 2.25 1.43 -1.26 -4.97 118.68 110.21 1jtg s LEU 199 Ca -0.15 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1jtg s LEU 199 Cb 0.08 -2.18 0.11 0.00 0.03 0.00 0.00 46.19 44.22 1jtg s LEU 199 CO 0.66 0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.87 1jtg s THR 200 N -1.57 2.87 0.30 5.49 -4.23 -1.26 -4.73 115.64 112.50 1jtg s THR 200 Ca 0.28 0.28 0.01 0.00 -1.18 0.00 0.00 61.69 61.08 1jtg s THR 200 Cb -0.10 -2.74 0.28 0.00 1.34 0.00 0.00 72.50 71.28 1jtg s THR 200 CO 0.20 -0.37 1.89 0.25 -0.54 0.00 0.00 174.62 176.05 1jtg h LEU 201 N -1.43 0.90 -0.54 4.79 5.85 -1.97 -0.79 115.31 122.13 1jtg h LEU 201 Ca -0.47 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1jtg h LEU 201 Cb 1.27 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1jtg h LEU 201 CO 0.53 0.55 0.24 0.00 -0.34 0.00 0.00 178.44 179.42 1jtg h ALA 202 N 1.52 0.70 -0.26 1.25 0.00 -1.99 -1.61 119.26 118.86 1jtg h ALA 202 Ca 0.42 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1jtg h ALA 202 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1jtg h ALA 202 CO -0.18 0.28 -0.42 0.77 0.00 0.00 0.00 179.25 179.70 1jtg h SER 203 N 0.73 0.68 -0.66 0.00 0.02 -1.76 -1.34 113.55 111.23 1jtg h SER 203 Ca 0.18 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1jtg h SER 203 Cb 0.16 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1jtg h SER 203 CO -0.02 1.02 0.36 0.03 -1.14 0.00 0.00 176.83 177.08 1jtg h ARG 204 N 0.52 0.91 -0.43 3.45 3.08 -0.93 -0.90 114.38 120.08 1jtg h ARG 204 Ca 0.04 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1jtg h ARG 204 Cb 0.95 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1jtg h ARG 204 CO 0.09 0.69 -0.09 1.96 -1.07 0.00 0.00 179.97 181.54 1jtg h GLN 205 N 0.90 0.76 -0.49 0.04 1.08 -1.10 -1.82 115.11 114.48 1jtg h GLN 205 Ca 0.23 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1jtg h GLN 205 Cb 0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1jtg h GLN 205 CO -0.04 0.83 0.08 0.37 -0.95 0.00 0.00 178.83 179.13 1jtg h GLN 206 N 0.69 0.81 -0.13 1.46 5.75 -0.77 0.67 115.11 123.60 1jtg h GLN 206 Ca 0.12 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1jtg h GLN 206 Cb 0.56 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1jtg h GLN 206 CO 0.03 0.81 0.07 1.25 -2.65 0.00 0.00 178.83 178.34 1jtg h LEU 207 N 0.69 0.16 -0.92 -2.39 5.85 -1.02 -1.82 115.31 115.87 1jtg h LEU 207 Ca 0.15 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jtg h LEU 207 Cb 0.39 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1jtg h LEU 207 CO 0.01 0.20 0.59 0.40 -0.34 0.00 0.00 178.44 179.31 1jtg h ILE 208 N 0.11 1.24 -0.79 4.05 2.04 -1.19 -2.19 117.51 120.78 1jtg h ILE 208 Ca 0.05 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1jtg h ILE 208 Cb 0.08 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.02 1jtg h ILE 208 CO -0.01 0.24 0.52 0.44 0.00 0.00 0.00 178.15 179.34 1jtg h ASP 209 N 1.25 0.89 -0.72 1.72 3.32 -0.46 0.18 116.42 122.60 1jtg h ASP 209 Ca 0.33 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1jtg h ASP 209 Cb -0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 1jtg h ASP 209 CO -0.07 0.64 0.22 -0.50 -1.72 0.00 0.00 179.24 177.81 1jtg h TRP 210 N 1.05 1.16 -0.08 4.55 6.55 -0.96 -2.50 115.95 125.73 1jtg h TRP 210 Ca 0.30 -0.12 -0.14 0.00 0.95 0.00 0.00 58.89 59.88 1jtg h TRP 210 Cb -0.09 -0.34 -0.01 0.00 -0.86 0.00 0.00 29.16 27.87 1jtg h TRP 210 CO -0.02 0.93 -0.56 0.52 -1.05 0.00 0.00 178.44 178.25 1jtg h MET 211 N 1.07 0.25 -0.22 0.49 2.86 -0.74 -3.07 114.93 115.56 1jtg h MET 211 Ca 0.23 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1jtg h MET 211 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1jtg h MET 211 CO -0.01 0.74 -0.17 1.49 1.06 0.00 0.00 176.91 180.03 1jtg h GLU 212 N 0.19 0.37 0.00 1.72 4.81 -0.44 -2.59 114.58 118.65 1jtg h GLU 212 Ca -0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1jtg h GLU 212 Cb 1.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1jtg h GLU 212 CO 0.09 0.54 0.00 0.00 -0.73 0.00 0.00 179.01 178.91 1jtg n ALA 213 N -2.48 0.00 -2.28 2.92 0.00 -0.96 -4.88 120.51 112.82 1jtg n ALA 213 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1jtg n ALA 213 Cb 0.33 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.81 1jtg n ALA 213 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jtg n LYS 215 N 0.00 0.38 0.00 0.00 2.85 -0.95 -5.06 118.16 115.38 1jtg n LYS 215 Ca 0.00 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 56.78 1jtg n LYS 215 Cb 0.00 0.29 0.00 0.00 -0.65 0.00 0.00 35.03 34.67 1jtg n LYS 215 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1jtg n VAL 216 N -0.43 0.00 -0.80 0.58 0.24 -1.26 -4.79 118.33 111.87 1jtg n VAL 216 Ca -0.09 -0.19 0.08 0.00 -2.04 0.00 0.00 64.34 62.10 1jtg n VAL 216 Cb 0.59 1.40 0.36 0.00 -1.47 0.00 0.00 33.84 34.72 1jtg n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jtg n ALA 217 N -0.13 3.43 -0.24 2.33 0.00 -1.26 -4.72 120.51 119.92 1jtg n ALA 217 Ca 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 53.44 51.65 1jtg n ALA 217 Cb 0.10 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 18.71 1jtg n ALA 217 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jtg h GLY 218 N 3.69 0.92 0.18 0.00 0.00 -1.98 -1.66 103.07 104.22 1jtg h GLY 218 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jtg h GLY 218 CO 0.35 -0.22 0.00 -1.55 0.00 0.00 0.00 176.54 175.12 1jtg n PRO 219 N -5.22 0.90 0.00 4.80 -0.04 -1.26 -1.94 135.00 132.25 1jtg n PRO 219 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1jtg n PRO 219 Cb 0.45 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1jtg n PRO 219 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jtg n LEU 220 N -0.59 0.00 0.05 1.53 4.77 -0.63 -4.58 117.00 117.55 1jtg n LEU 220 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1jtg n LEU 220 Cb 0.02 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1jtg n LEU 220 CO 0.03 0.00 0.53 -0.07 -1.33 0.00 0.00 177.39 176.55 1jtg h LEU 221 N 0.00 0.41 -1.76 2.23 3.38 -1.83 -3.10 115.31 114.63 1jtg h LEU 221 Ca 0.00 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.83 1jtg h LEU 221 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1jtg h LEU 221 CO 0.00 0.85 0.28 0.03 0.09 0.00 0.00 178.44 179.70 1jtg h ARG 222 N 0.29 0.29 0.00 1.13 3.08 -1.75 -2.10 114.38 115.32 1jtg h ARG 222 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jtg h ARG 222 Cb 1.01 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1jtg h ARG 222 CO 0.09 0.19 0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 1jtg n SER 223 N -4.47 0.19 0.00 7.04 3.41 -0.82 -2.14 113.62 116.84 1jtg n SER 223 Ca 0.05 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1jtg n SER 223 Cb 0.27 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1jtg n SER 223 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jtg n ALA 224 N -1.59 1.95 -2.71 7.33 0.00 -0.79 -5.04 120.51 119.66 1jtg n ALA 224 Ca 0.01 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 1jtg n ALA 224 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1jtg n ALA 224 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jtg s LEU 225 N -0.86 4.35 0.72 0.00 2.96 -0.91 -4.90 118.68 120.04 1jtg s LEU 225 Ca 0.00 1.59 -0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1jtg s LEU 225 Cb 0.00 -3.51 0.03 0.00 0.50 0.00 0.00 46.19 43.21 1jtg s LEU 225 CO 0.00 -0.26 1.07 -2.84 -1.32 0.00 0.00 176.35 173.01 1jtg s PRO 226 N 1.06 2.67 0.46 0.98 0.02 -1.26 -4.96 135.00 133.97 1jtg s PRO 226 Ca 0.50 1.07 -0.25 0.00 0.02 0.00 0.00 61.00 62.34 1jtg s PRO 226 Cb -0.20 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 1jtg s PRO 226 CO 0.26 -1.32 1.37 0.00 -0.33 0.00 0.00 177.00 176.98 1jtg n ALA 227 N -3.22 1.72 0.00 -1.55 0.00 -1.26 -2.59 120.51 113.60 1jtg n ALA 227 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1jtg n ALA 227 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1jtg n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtg n GLY 228 N 0.69 2.68 3.79 0.00 0.00 -1.26 -4.87 105.19 106.22 1jtg n GLY 228 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1jtg n GLY 228 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jtg s TRP 229 N -2.17 2.88 -0.07 1.61 0.52 -1.07 -0.14 118.94 120.51 1jtg s TRP 229 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.62 1jtg s TRP 229 Cb 0.00 -3.10 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1jtg s TRP 229 CO 0.00 -1.21 0.12 0.12 0.02 0.00 0.00 176.95 176.01 1jtg s PHE 230 N -2.19 3.47 -0.18 -1.98 5.36 0.92 -4.65 117.98 118.74 1jtg s PHE 230 Ca 0.67 0.38 -0.14 0.00 -0.96 0.00 0.00 56.93 56.88 1jtg s PHE 230 Cb -0.18 -1.86 0.05 0.00 -0.34 0.00 0.00 43.02 40.69 1jtg s PHE 230 CO 0.31 0.65 0.46 -1.50 -1.46 0.00 0.00 175.22 173.68 1jtg s ILE 231 N -1.12 -0.01 -0.15 3.12 2.07 -1.26 -1.75 121.20 122.10 1jtg s ILE 231 Ca 0.19 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1jtg s ILE 231 Cb -0.12 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 41.87 1jtg s ILE 231 CO 0.09 0.01 0.00 0.00 -1.91 0.00 0.00 174.94 173.14 1jtg s ALA 232 N 0.59 1.03 0.23 1.50 0.00 -0.49 -4.40 121.76 120.21 1jtg s ALA 232 Ca -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1jtg s ALA 232 Cb -0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1jtg s ALA 232 CO -0.04 -0.87 0.09 0.16 0.00 0.00 0.00 175.76 175.11 1jtg s ASP 233 N 1.84 0.86 -0.16 0.00 3.84 -0.98 -1.05 116.67 121.03 1jtg s ASP 233 Ca 0.01 -1.36 -0.06 0.00 -0.00 0.00 0.00 52.55 51.14 1jtg s ASP 233 Cb -0.15 0.22 0.07 0.00 -1.38 0.00 0.00 42.92 41.68 1jtg s ASP 233 CO -0.07 -0.74 0.33 -0.75 -0.00 0.00 0.00 175.17 173.94 1jtg s LYS 234 N -4.06 0.25 0.45 2.11 2.47 -0.27 -4.70 119.74 115.99 1jtg s LYS 234 Ca 0.36 0.83 0.08 0.00 -1.56 0.00 0.00 55.97 55.68 1jtg s LYS 234 Cb 0.07 0.08 0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1jtg s LYS 234 CO 0.12 -0.24 0.62 -1.54 0.16 0.00 0.00 175.35 174.46 1jtg s SER 235 N 2.22 5.54 0.01 1.43 1.04 -1.26 -1.44 113.70 121.24 1jtg s SER 235 Ca -0.02 -0.48 -0.19 0.00 0.48 0.00 0.00 55.95 55.74 1jtg s SER 235 Cb -0.11 -0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.54 1jtg s SER 235 CO -0.11 -0.88 0.41 -0.83 0.98 0.00 0.00 173.24 172.82 1jtg s GLY 236 N -4.41 -0.27 0.02 7.32 0.00 -0.29 -3.73 107.32 105.96 1jtg s GLY 236 Ca 0.56 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.73 1jtg s GLY 236 CO 0.34 0.19 -0.03 0.00 0.00 0.00 0.00 173.10 173.60 1jtg s ALA 237 N -1.92 0.14 0.12 3.20 0.00 -1.26 -1.55 121.76 120.49 1jtg s ALA 237 Ca -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1jtg s ALA 237 Cb -0.02 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1jtg s ALA 237 CO 0.02 -0.13 0.18 0.41 0.00 0.00 0.00 175.76 176.24 1jtg n GLY 238 N 1.75 2.64 3.77 0.00 0.00 -0.60 -4.55 105.19 108.19 1jtg n GLY 238 Ca -0.23 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1jtg n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jtg s GLU 239 N -2.25 0.83 -1.45 1.61 0.41 -0.23 -3.60 118.70 114.02 1jtg s GLU 239 Ca 0.10 0.21 -0.11 0.00 -0.41 0.00 0.00 54.97 54.75 1jtg s GLU 239 Cb -0.01 -1.81 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 1jtg s GLU 239 CO 0.07 -2.39 1.09 0.54 -0.49 0.00 0.00 175.26 174.08 1jtg n ARG 240 N -3.89 -6.80 -1.36 1.61 3.00 -1.26 -2.26 116.66 105.70 1jtg n ARG 240 Ca 0.08 0.72 -0.12 0.00 -0.01 0.00 0.00 57.85 58.51 1jtg n ARG 240 Cb 0.59 -5.70 -0.05 0.00 0.00 0.00 0.00 32.46 27.30 1jtg n ARG 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jtg n GLY 241 N -1.86 1.32 3.74 -0.13 0.00 -1.20 -0.16 105.19 106.90 1jtg n GLY 241 Ca 0.03 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1jtg n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtg s SER 242 N -2.78 7.14 -0.09 1.61 0.01 -0.96 -4.31 113.70 114.32 1jtg s SER 242 Ca 0.00 2.18 -0.27 0.00 1.31 0.00 0.00 55.95 59.17 1jtg s SER 242 Cb 0.00 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.69 1jtg s SER 242 CO 0.00 -0.33 0.63 -0.60 0.41 0.00 0.00 173.24 173.36 1jtg s ARG 243 N -0.25 0.95 0.14 12.44 6.06 -0.55 -1.56 118.95 136.17 1jtg s ARG 243 Ca 0.52 0.36 -0.25 0.00 -2.50 0.00 0.00 55.73 53.86 1jtg s ARG 243 Cb -0.32 0.45 0.07 0.00 0.06 0.00 0.00 34.95 35.22 1jtg s ARG 243 CO 0.36 -0.26 1.02 0.20 -2.50 0.00 0.00 175.30 174.12 1jtg s GLY 244 N -0.85 -0.21 -0.22 8.12 0.00 -0.60 -1.30 107.32 112.27 1jtg s GLY 244 Ca -0.09 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.51 1jtg s GLY 244 CO 0.07 0.32 0.72 -1.50 0.00 0.00 0.00 173.10 172.71 1jtg s ILE 245 N -3.03 0.00 0.02 0.90 2.07 0.28 -1.14 121.20 120.30 1jtg s ILE 245 Ca 0.14 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.45 1jtg s ILE 245 Cb -0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.56 1jtg s ILE 245 CO 0.02 0.00 -0.22 0.27 -1.91 0.00 0.00 174.94 173.10 1jtg s ILE 246 N 0.02 1.78 0.03 2.00 -4.36 -0.52 -0.95 121.20 119.20 1jtg s ILE 246 Ca -0.02 -1.13 -0.22 0.00 -0.26 0.00 0.00 60.65 59.03 1jtg s ILE 246 Cb -0.04 -1.52 0.05 0.00 1.25 0.00 0.00 42.46 42.20 1jtg s ILE 246 CO 0.03 0.35 0.49 0.00 0.24 0.00 0.00 174.94 176.05 1jtg s ALA 247 N -0.68 -1.25 -0.15 2.27 0.00 -0.08 -1.11 121.76 120.76 1jtg s ALA 247 Ca 0.09 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1jtg s ALA 247 Cb -0.09 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1jtg s ALA 247 CO 0.01 -0.46 -0.19 0.00 0.00 0.00 0.00 175.76 175.12 1jtg s ALA 248 N -2.22 2.35 0.15 0.00 0.00 -0.21 -0.74 121.76 121.09 1jtg s ALA 248 Ca -0.07 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1jtg s ALA 248 Cb -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1jtg s ALA 248 CO -0.00 -0.04 0.17 -0.48 0.00 0.00 0.00 175.76 175.42 1jtg s LEU 249 N 0.82 1.36 0.00 0.00 2.34 -0.10 -1.40 118.68 121.70 1jtg s LEU 249 Ca -0.06 -1.03 0.00 0.00 0.06 0.00 0.00 54.13 53.09 1jtg s LEU 249 Cb -0.15 0.76 0.00 0.00 -0.56 0.00 0.00 46.19 46.23 1jtg s LEU 249 CO -0.01 -0.81 0.00 0.61 -1.06 0.00 0.00 176.35 175.07 1jtg n GLY 250 N -0.16 0.65 3.88 -3.48 0.00 -0.72 -1.02 105.19 104.35 1jtg n GLY 250 Ca -0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1jtg n GLY 250 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtg s PRO 251 N -2.00 2.56 -1.38 1.61 0.04 -1.24 -0.05 135.00 134.53 1jtg s PRO 251 Ca 0.00 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1jtg s PRO 251 Cb 0.00 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1jtg s PRO 251 CO 0.00 -1.23 0.45 -3.47 0.04 0.00 0.00 177.00 172.79 1jtg n ASP 252 N -3.12 -0.60 -1.08 6.66 4.64 -1.20 -2.70 116.55 119.16 1jtg n ASP 252 Ca 0.07 -1.00 -0.14 0.00 -1.38 0.00 0.00 54.79 52.34 1jtg n ASP 252 Cb 0.58 -3.12 -0.06 0.00 -1.04 0.00 0.00 41.12 37.48 1jtg n ASP 252 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1jtg n GLY 253 N -1.95 1.39 2.89 0.27 0.00 0.80 -4.94 105.19 103.66 1jtg n GLY 253 Ca -0.30 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1jtg n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtg s LYS 254 N -3.13 0.14 0.36 1.61 -2.85 -1.10 -4.77 119.74 110.00 1jtg s LYS 254 Ca 0.00 -0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 54.67 1jtg s LYS 254 Cb 0.00 -0.16 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 1jtg s LYS 254 CO 0.00 0.02 0.98 -1.25 0.10 0.00 0.00 175.35 175.20 1jtg s PRO 255 N 0.04 4.43 0.00 1.78 0.04 -1.26 -3.57 135.00 136.46 1jtg s PRO 255 Ca -0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1jtg s PRO 255 Cb -0.02 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1jtg s PRO 255 CO -0.00 0.13 0.00 -1.13 0.04 0.00 0.00 177.00 176.03 1jtg n SER 256 N 0.24 0.00 -3.89 6.66 3.41 -0.19 -4.86 113.62 114.99 1jtg n SER 256 Ca 0.03 -0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1jtg n SER 256 Cb 0.50 0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 1jtg n SER 256 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jtg s ARG 257 N -0.23 0.37 -0.10 4.33 0.52 -0.90 -0.93 118.95 122.01 1jtg s ARG 257 Ca 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.85 1jtg s ARG 257 Cb 0.00 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 1jtg s ARG 257 CO 0.00 -0.08 -0.02 0.42 0.02 0.00 0.00 175.30 175.64 1jtg s ILE 258 N -1.11 4.11 -0.04 1.52 1.01 0.14 -0.92 121.20 125.91 1jtg s ILE 258 Ca -0.12 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.25 1jtg s ILE 258 Cb -0.07 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1jtg s ILE 258 CO 0.01 0.57 -0.14 -0.69 0.00 0.00 0.00 174.94 174.69 1jtg s VAL 259 N -0.52 1.17 -0.06 2.92 1.01 0.09 -0.31 120.40 124.70 1jtg s VAL 259 Ca 0.09 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1jtg s VAL 259 Cb -0.12 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.25 1jtg s VAL 259 CO 0.02 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 174.66 1jtg s VAL 260 N 0.13 1.10 -0.05 2.92 1.01 -0.47 -0.90 120.40 124.14 1jtg s VAL 260 Ca -0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1jtg s VAL 260 Cb -0.11 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.30 1jtg s VAL 260 CO 0.02 0.34 -0.01 -0.63 0.00 0.00 0.00 175.10 174.82 1jtg s ILE 261 N 0.61 0.32 0.04 2.22 1.01 -0.13 -1.48 121.20 123.80 1jtg s ILE 261 Ca -0.13 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1jtg s ILE 261 Cb -0.15 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1jtg s ILE 261 CO 0.03 0.21 -0.12 -0.31 0.00 0.00 0.00 174.94 174.76 1jtg s TYR 262 N 1.44 1.01 -0.02 3.97 1.51 -0.38 -0.56 117.35 124.32 1jtg s TYR 262 Ca -0.03 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1jtg s TYR 262 Cb -0.13 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1jtg s TYR 262 CO -0.03 0.01 0.21 -0.08 -1.11 0.00 0.00 175.55 174.55 1jtg s THR 263 N -1.01 0.06 0.03 -0.71 -1.32 -0.42 -0.17 115.64 112.10 1jtg s THR 263 Ca -0.02 -0.51 -0.19 0.00 -1.21 0.00 0.00 61.69 59.76 1jtg s THR 263 Cb -0.08 -0.48 0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1jtg s THR 263 CO 0.01 -0.28 0.44 0.28 -2.21 0.00 0.00 174.62 172.86 1jtg s THR 264 N -1.13 0.05 0.00 5.08 -1.32 -1.19 -1.48 115.64 115.64 1jtg s THR 264 Ca -0.12 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1jtg s THR 264 Cb -0.06 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1jtg s THR 264 CO 0.02 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1jtg n GLY 265 N 0.64 2.41 3.78 6.08 0.00 0.77 -3.67 105.19 115.20 1jtg n GLY 265 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1jtg n GLY 265 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jtg s SER 266 N -1.37 5.18 0.00 1.61 0.15 -1.22 -4.83 113.70 113.22 1jtg s SER 266 Ca 0.00 1.97 0.07 0.00 0.70 0.00 0.00 55.95 58.69 1jtg s SER 266 Cb 0.00 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 61.91 1jtg s SER 266 CO 0.00 -1.58 1.03 0.00 1.20 0.00 0.00 173.24 173.89 1jtg n GLN 267 N -2.40 2.07 -1.27 5.44 6.02 -1.26 -3.22 117.38 122.76 1jtg n GLN 267 Ca 0.10 -1.57 -0.30 0.00 -0.01 0.00 0.00 57.00 55.22 1jtg n GLN 267 Cb 0.52 -1.15 0.11 0.00 1.02 0.00 0.00 30.24 30.74 1jtg n GLN 267 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jtg s ALA 268 N -0.88 1.89 0.86 -1.58 0.00 -1.26 -5.01 121.76 115.78 1jtg s ALA 268 Ca 0.12 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1jtg s ALA 268 Cb 0.07 -3.21 0.11 0.00 0.00 0.00 0.00 23.12 20.09 1jtg s ALA 268 CO 0.09 -2.06 1.11 0.95 0.00 0.00 0.00 175.76 175.85 1jtg s THR 269 N -2.95 2.62 0.33 0.00 -4.23 -1.26 -4.82 115.64 105.33 1jtg s THR 269 Ca 0.62 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.35 1jtg s THR 269 Cb -0.17 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 71.02 1jtg s THR 269 CO 0.56 -0.26 1.95 -0.03 -0.54 0.00 0.00 174.62 176.30 1jtg h MET 270 N -1.36 0.80 -0.47 3.99 4.05 -1.99 -0.84 114.93 119.12 1jtg h MET 270 Ca -0.49 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 58.83 1jtg h MET 270 Cb 1.29 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 1jtg h MET 270 CO 0.59 0.61 0.25 -0.44 0.23 0.00 0.00 176.91 178.14 1jtg h ASP 271 N 0.81 0.59 -0.35 1.39 3.32 -1.99 0.11 116.42 120.30 1jtg h ASP 271 Ca 0.21 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1jtg h ASP 271 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1jtg h ASP 271 CO -0.03 0.53 0.16 -0.08 -1.72 0.00 0.00 179.24 178.09 1jtg h GLU 272 N 0.62 0.52 -0.38 3.56 4.57 -1.76 0.48 114.58 122.19 1jtg h GLU 272 Ca 0.16 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1jtg h GLU 272 Cb 0.07 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1jtg h GLU 272 CO -0.02 0.49 0.22 0.00 -1.18 0.00 0.00 179.01 178.52 1jtg h ARG 273 N 0.43 0.52 -0.56 1.92 3.08 -0.87 -1.43 114.38 117.46 1jtg h ARG 273 Ca 0.12 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1jtg h ARG 273 Cb 0.15 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1jtg h ARG 273 CO -0.01 0.40 0.36 -0.91 -1.07 0.00 0.00 179.97 178.74 1jtg h ASN 274 N 0.49 0.61 -0.07 7.04 4.21 -0.55 -2.58 115.58 124.74 1jtg h ASN 274 Ca 0.14 -0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.67 1jtg h ASN 274 Cb 0.02 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.04 1jtg h ASN 274 CO -0.02 0.43 -0.13 -0.09 -1.29 0.00 0.00 177.43 176.33 1jtg h ARG 275 N 0.73 -0.18 -0.67 0.81 9.65 -0.49 -0.69 114.38 123.54 1jtg h ARG 275 Ca 0.21 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.15 1jtg h ARG 275 Cb -0.04 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 1jtg h ARG 275 CO -0.07 -0.12 0.40 1.96 2.80 0.00 0.00 179.97 184.95 1jtg h GLN 276 N -0.18 0.75 -0.57 0.20 1.08 -1.08 -0.75 115.11 114.55 1jtg h GLN 276 Ca 0.07 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1jtg h GLN 276 Cb 0.28 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1jtg h GLN 276 CO -0.18 0.49 0.16 0.82 -0.95 0.00 0.00 178.83 179.18 1jtg h ILE 277 N 0.77 1.24 -0.66 2.54 2.04 -1.23 -1.97 117.51 120.25 1jtg h ILE 277 Ca 0.28 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1jtg h ILE 277 Cb 0.08 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1jtg h ILE 277 CO -0.13 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.68 1jtg h ALA 278 N 1.04 1.36 -0.26 1.87 0.00 -0.50 -0.90 119.26 121.87 1jtg h ALA 278 Ca 0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1jtg h ALA 278 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jtg h ALA 278 CO -0.00 0.51 -0.35 0.93 0.00 0.00 0.00 179.25 180.34 1jtg h GLU 279 N 0.92 0.57 -0.67 0.00 5.08 -0.81 0.15 114.58 119.83 1jtg h GLU 279 Ca 0.23 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1jtg h GLU 279 Cb 0.05 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1jtg h GLU 279 CO -0.04 0.84 0.10 0.82 -1.00 0.00 0.00 179.01 179.73 1jtg h ILE 280 N 0.48 1.26 -0.63 3.13 2.04 -0.99 -1.91 117.51 120.89 1jtg h ILE 280 Ca 0.05 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 1jtg h ILE 280 Cb 0.83 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1jtg h ILE 280 CO 0.07 0.39 0.17 1.23 0.00 0.00 0.00 178.15 180.01 1jtg h GLY 281 N 1.03 1.06 1.07 5.37 0.00 -0.51 -1.34 103.07 109.74 1jtg h GLY 281 Ca 0.20 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1jtg h GLY 281 CO 0.01 0.59 0.23 0.00 0.00 0.00 0.00 176.54 177.37 1jtg h ALA 282 N 1.23 1.00 -0.32 3.60 0.00 -0.35 -2.12 119.26 122.30 1jtg h ALA 282 Ca 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1jtg h ALA 282 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jtg h ALA 282 CO -0.00 0.67 -0.01 1.03 0.00 0.00 0.00 179.25 180.94 1jtg h SER 283 N 1.11 0.56 -0.72 0.00 0.87 -1.04 -0.71 113.55 113.61 1jtg h SER 283 Ca 0.24 -0.32 0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1jtg h SER 283 Cb 0.31 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 1jtg h SER 283 CO -0.01 0.74 0.36 0.25 -0.53 0.00 0.00 176.83 177.64 1jtg h LEU 284 N 0.36 0.47 -0.04 2.23 7.12 -1.04 0.02 115.31 124.44 1jtg h LEU 284 Ca 0.09 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.07 1jtg h LEU 284 Cb 0.46 -0.02 0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1jtg h LEU 284 CO 0.02 0.26 -0.34 0.40 -0.13 0.00 0.00 178.44 178.65 1jtg h ILE 285 N 0.61 1.46 -0.45 4.05 2.04 -1.29 -2.72 117.51 121.20 1jtg h ILE 285 Ca 0.36 -1.82 0.08 0.00 1.00 0.00 0.00 64.86 64.48 1jtg h ILE 285 Cb 0.39 2.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.87 1jtg h ILE 285 CO -0.28 0.52 0.01 0.50 0.00 0.00 0.00 178.15 178.90 1jtg h LYS 286 N -0.24 0.12 -1.01 2.37 3.64 -0.75 -1.74 116.57 118.95 1jtg h LYS 286 Ca -0.03 -0.01 -0.46 0.00 -1.27 0.00 0.00 60.65 58.88 1jtg h LYS 286 Cb 1.02 -0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.55 1jtg h LYS 286 CO 0.07 0.08 0.59 0.72 -2.27 0.00 0.00 179.45 178.64 1jtg n HIS 287 N -5.20 2.68 0.00 1.91 8.25 -0.04 -5.10 115.22 117.72 1jtg n HIS 287 Ca 0.04 -1.77 0.00 0.00 -0.26 0.00 0.00 57.72 55.73 1jtg n HIS 287 Cb 0.24 -0.90 0.00 0.00 1.12 0.00 0.00 29.99 30.45 1jtg n HIS 287 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85