#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtg n VAL 2 N 0.00 1.84 0.00 2.03 0.31 -1.26 -4.94 118.33 116.31 2jtg n VAL 2 Ca 0.00 -1.86 0.00 0.00 -0.01 0.00 0.00 64.34 62.47 2jtg n VAL 2 Cb 0.00 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2jtg n VAL 2 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jtg n GLN 3 N -0.82 0.00 -3.18 5.55 -0.06 -1.26 -4.51 117.38 113.09 2jtg n GLN 3 Ca 0.15 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.98 2jtg n GLN 3 Cb 0.66 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.85 2jtg n GLN 3 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2jtg s SER 4 N 0.00 5.78 0.29 1.69 1.04 -1.26 -4.49 113.70 116.75 2jtg s SER 4 Ca 0.00 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.15 2jtg s SER 4 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2jtg s SER 4 CO 0.00 -0.64 0.14 0.00 0.98 0.00 0.00 173.24 173.72 2jtg h SER 6 N 2.26 0.32 -1.02 0.00 0.87 -1.68 -3.44 113.55 110.87 2jtg h SER 6 Ca -0.35 -0.40 -0.75 0.00 -1.23 0.00 0.00 61.79 59.06 2jtg h SER 6 Cb 1.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2jtg h SER 6 CO 0.55 0.65 1.10 0.00 -0.53 0.00 0.00 176.83 178.60 2jtg n ALA 7 N -2.37 0.08 -1.62 6.23 0.00 -1.26 -4.78 120.51 116.79 2jtg n ALA 7 Ca -0.06 0.24 -0.53 0.00 0.00 0.00 0.00 53.44 53.10 2jtg n ALA 7 Cb 0.29 -2.24 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 2jtg n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jtg n TYR 8 N 6.83 1.66 -4.03 0.00 9.36 -1.26 -2.01 117.16 127.71 2jtg n TYR 8 Ca 0.37 0.59 -0.35 0.00 3.32 0.00 0.00 57.90 61.83 2jtg n TYR 8 Cb 0.09 -2.37 -0.01 0.00 -0.63 0.00 0.00 39.34 36.42 2jtg n TYR 8 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2jtg n GLY 9 N 2.90 -0.56 3.84 2.98 0.00 -1.26 -4.92 105.19 108.17 2jtg n GLY 9 Ca 0.20 0.28 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 2jtg n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtg n LYS 11 N -2.75 0.21 -0.97 0.00 3.00 -1.26 -4.97 118.16 111.43 2jtg n LYS 11 Ca 0.07 -0.10 -0.35 0.00 -0.00 0.00 0.00 58.31 57.93 2jtg n LYS 11 Cb 0.54 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 34.11 2jtg n LYS 11 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jtg n ASN 12 N -1.31 -5.50 -3.27 3.14 6.94 -1.26 -4.88 115.26 109.13 2jtg n ASN 12 Ca 0.08 0.15 0.03 0.00 -0.02 0.00 0.00 54.58 54.83 2jtg n ASN 12 Cb 0.33 -0.70 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 2jtg n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jtg s ARG 13 N -1.93 0.25 -1.23 -3.83 1.70 -1.26 -4.34 118.95 108.30 2jtg s ARG 13 Ca 0.38 0.55 -0.20 0.00 -0.47 0.00 0.00 55.73 55.99 2jtg s ARG 13 Cb -0.14 0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.57 2jtg s ARG 13 CO 0.78 -0.17 1.80 -0.47 -1.08 0.00 0.00 175.30 176.16 2jtg s TYR 14 N 2.65 2.43 0.16 5.89 5.04 -1.26 -4.66 117.35 127.59 2jtg s TYR 14 Ca 0.00 -0.74 0.10 0.00 -2.44 0.00 0.00 57.07 53.99 2jtg s TYR 14 Cb -0.08 -4.45 -0.04 0.00 0.35 0.00 0.00 41.96 37.74 2jtg s TYR 14 CO -0.15 -1.59 -0.19 0.34 -1.34 0.00 0.00 175.55 172.62 2jtg s ASP 15 N 5.22 3.76 0.54 4.32 2.15 -1.26 -4.57 116.67 126.84 2jtg s ASP 15 Ca 0.59 -0.70 0.23 0.00 0.43 0.00 0.00 52.55 53.11 2jtg s ASP 15 Cb 0.02 -0.45 1.52 0.00 -0.30 0.00 0.00 42.92 43.70 2jtg s ASP 15 CO 0.09 0.14 2.17 0.07 -0.17 0.00 0.00 175.17 177.47 2jtg h LYS 16 N 3.32 0.00 0.00 4.34 2.10 -2.01 -3.01 116.57 121.32 2jtg h LYS 16 Ca -0.48 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 2jtg h LYS 16 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2jtg h LYS 16 CO 0.48 0.03 -0.31 -0.44 -2.00 0.00 0.00 179.45 177.22 2jtg h ASP 17 N 0.00 0.00 -2.48 7.07 5.19 -1.96 -3.44 116.42 120.80 2jtg h ASP 17 Ca -0.00 -0.34 -0.58 0.00 -0.62 0.00 0.00 57.03 55.49 2jtg h ASP 17 Cb 0.07 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2jtg h ASP 17 CO 0.00 0.84 1.33 -0.75 -3.12 0.00 0.00 179.24 177.55 2jtg s LYS 18 N -2.00 3.30 0.00 3.56 2.47 -1.14 -4.85 119.74 121.08 2jtg s LYS 18 Ca -0.13 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 55.90 2jtg s LYS 18 Cb 0.01 -4.24 0.00 0.00 -1.46 0.00 0.00 37.83 32.13 2jtg s LYS 18 CO 0.32 -1.90 0.74 -0.35 0.16 0.00 0.00 175.35 174.32 2jtg n PRO 19 N 8.50 0.70 -2.62 4.03 -0.04 -1.26 -4.11 135.00 140.19 2jtg n PRO 19 Ca 0.25 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 2jtg n PRO 19 Cb 0.46 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 2jtg n PRO 19 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2jtg s VAL 20 N 0.32 4.14 0.48 0.52 0.11 -1.26 -5.02 120.40 119.69 2jtg s VAL 20 Ca 0.00 0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 60.01 2jtg s VAL 20 Cb 0.00 -4.65 -0.00 0.00 -1.53 0.00 0.00 36.38 30.20 2jtg s VAL 20 CO 0.00 -1.17 0.73 -0.94 -3.33 0.00 0.00 175.10 170.39 2jtg s SER 21 N 2.71 5.80 0.10 3.54 1.04 -1.26 -4.71 113.70 120.91 2jtg s SER 21 Ca 0.44 0.42 0.08 0.00 0.48 0.00 0.00 55.95 57.37 2jtg s SER 21 Cb -0.08 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.40 2jtg s SER 21 CO 0.28 -0.78 -0.21 -0.36 0.98 0.00 0.00 173.24 173.15 2jtg s PHE 22 N -2.66 1.80 -0.03 5.02 0.40 -1.26 -1.15 117.98 120.08 2jtg s PHE 22 Ca 0.50 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 2jtg s PHE 22 Cb -0.10 -0.99 0.03 0.00 0.51 0.00 0.00 43.02 42.47 2jtg s PHE 22 CO 0.40 0.20 0.05 -1.01 0.70 0.00 0.00 175.22 175.56 2jtg s HIS 23 N -1.12 0.02 0.72 0.36 3.76 0.93 -4.97 115.29 114.99 2jtg s HIS 23 Ca 0.07 0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.07 2jtg s HIS 23 Cb -0.10 -0.32 0.03 0.00 1.11 0.00 0.00 32.58 33.30 2jtg s HIS 23 CO 0.04 -0.14 1.09 0.15 -0.85 0.00 0.00 174.74 175.03 2jtg s LYS 24 N 1.53 2.59 0.22 1.40 1.02 -1.26 0.14 119.74 125.38 2jtg s LYS 24 Ca -0.03 1.17 -0.32 0.00 0.02 0.00 0.00 55.97 56.81 2jtg s LYS 24 Cb -0.13 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.13 2jtg s LYS 24 CO -0.03 -1.38 1.70 1.19 -0.92 0.00 0.00 175.35 175.91 2jtg n PHE 25 N -3.10 2.78 -3.10 3.18 3.01 -0.62 -4.76 117.46 114.85 2jtg n PHE 25 Ca 0.09 0.07 -0.28 0.00 1.01 0.00 0.00 57.45 58.34 2jtg n PHE 25 Cb 0.53 -2.66 -0.03 0.00 -0.01 0.00 0.00 39.48 37.31 2jtg n PHE 25 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2jtg s PRO 26 N 0.87 3.65 -0.08 -1.08 0.04 -1.26 -4.96 135.00 132.17 2jtg s PRO 26 Ca 0.73 0.14 0.08 0.00 0.04 0.00 0.00 61.00 61.99 2jtg s PRO 26 Cb -0.50 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 31.39 2jtg s PRO 26 CO 0.35 0.07 0.05 1.47 0.04 0.00 0.00 177.00 178.98 2jtg n LEU 27 N -1.31 0.00 0.24 -3.56 -0.00 -1.26 -4.51 117.00 106.59 2jtg n LEU 27 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 2jtg n LEU 27 Cb 0.54 0.20 0.58 0.00 -0.00 0.00 0.00 43.42 44.75 2jtg n LEU 27 CO 0.49 0.20 0.91 0.71 -0.00 0.00 0.00 177.39 179.70 2jtg h THR 28 N 0.00 0.87 -3.49 1.47 1.35 -1.98 -3.35 112.91 107.80 2jtg h THR 28 Ca -0.22 -0.69 -0.73 0.00 -0.55 0.00 0.00 66.41 64.21 2jtg h THR 28 Cb 1.46 1.40 -0.31 0.00 -1.73 0.00 0.00 68.15 68.98 2jtg h THR 28 CO 0.01 0.18 -0.28 -0.60 -0.25 0.00 0.00 175.52 174.58 2jtg s ARG 29 N -4.34 2.74 0.00 4.72 3.00 -1.26 -4.96 118.95 118.84 2jtg s ARG 29 Ca -0.03 -2.15 0.00 0.00 -1.00 0.00 0.00 55.73 52.55 2jtg s ARG 29 Cb 0.14 -3.97 0.00 0.00 0.00 0.00 0.00 34.95 31.12 2jtg s ARG 29 CO 0.65 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.39 2jtg n PRO 30 N 4.26 0.00 -0.08 5.12 -0.04 -1.26 -3.19 135.00 139.82 2jtg n PRO 30 Ca 0.02 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.55 2jtg n PRO 30 Cb 0.41 -0.60 -0.00 0.00 -0.04 0.00 0.00 33.50 33.27 2jtg n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2jtg h SER 31 N 0.00 -0.54 -0.55 3.54 4.64 -1.95 0.67 113.55 119.35 2jtg h SER 31 Ca 0.00 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2jtg h SER 31 Cb 0.00 0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2jtg h SER 31 CO 0.00 -0.20 0.37 0.25 -0.87 0.00 0.00 176.83 176.38 2jtg h LEU 32 N -0.12 0.50 -1.92 5.97 5.85 -1.98 -0.67 115.31 122.94 2jtg h LEU 32 Ca 0.16 -0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.07 2jtg h LEU 32 Cb 0.36 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2jtg h LEU 32 CO -0.39 0.33 0.50 0.00 -0.34 0.00 0.00 178.44 178.55 2jtg h LYS 34 N 0.07 0.60 -0.84 0.00 3.64 -0.60 0.83 116.57 120.28 2jtg h LYS 34 Ca 0.34 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 2jtg h LYS 34 Cb 1.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2jtg h LYS 34 CO -0.03 0.40 0.51 0.93 -2.27 0.00 0.00 179.45 178.98 2jtg h GLU 35 N 0.62 0.88 -0.49 1.90 5.08 -0.52 0.11 114.58 122.15 2jtg h GLU 35 Ca 0.53 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.89 2jtg h GLU 35 Cb 1.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2jtg h GLU 35 CO -0.28 0.58 0.33 -1.49 -1.00 0.00 0.00 179.01 177.15 2jtg h TRP 36 N 0.90 0.46 -0.90 4.33 4.06 0.62 0.14 115.95 125.56 2jtg h TRP 36 Ca 0.38 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.48 2jtg h TRP 36 Cb 0.23 -0.15 -0.09 0.00 -1.00 0.00 0.00 29.16 28.14 2jtg h TRP 36 CO -0.04 0.26 0.51 0.93 -3.56 0.00 0.00 178.44 176.54 2jtg h GLU 37 N 0.47 0.73 -0.56 0.49 5.08 -0.33 0.57 114.58 121.03 2jtg h GLU 37 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2jtg h GLU 37 Cb 0.24 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2jtg h GLU 37 CO -0.05 0.48 0.20 0.00 -1.00 0.00 0.00 179.01 178.63 2jtg h ALA 38 N 1.55 1.29 -0.55 3.43 0.00 -0.70 -0.83 119.26 123.45 2jtg h ALA 38 Ca 0.48 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.38 2jtg h ALA 38 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jtg h ALA 38 CO -0.32 0.51 0.54 0.00 0.00 0.00 0.00 179.25 179.98 2jtg h ALA 39 N 1.41 2.33 0.00 0.00 0.00 0.52 -2.77 119.26 120.74 2jtg h ALA 39 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jtg h ALA 39 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jtg h ALA 39 CO -0.01 -0.82 -0.40 0.28 0.00 0.00 0.00 179.25 178.29 2jtg h VAL 40 N 0.00 0.00 0.00 0.00 2.07 -0.86 -3.39 116.25 114.07 2jtg h VAL 40 Ca 0.26 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2jtg h VAL 40 Cb 1.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2jtg h VAL 40 CO -0.00 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 2jtg n ARG 41 N -4.42 0.00 -0.17 1.57 0.00 -1.01 -4.42 116.66 108.21 2jtg n ARG 41 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2jtg n ARG 41 Cb 0.21 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.68 2jtg n ARG 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jtg n ARG 42 N -1.84 0.62 -0.00 -0.14 5.12 -1.26 -5.07 116.66 114.09 2jtg n ARG 42 Ca 0.00 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2jtg n ARG 42 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2jtg n ARG 42 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2jtg n LYS 43 N -0.69 -1.07 -1.46 5.56 -0.00 -1.26 -4.52 118.16 114.71 2jtg n LYS 43 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 58.31 58.19 2jtg n LYS 43 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 35.03 34.92 2jtg n LYS 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jtg n ASN 44 N -2.30 0.62 -1.38 -5.58 6.94 -1.26 -4.71 115.26 107.58 2jtg n ASN 44 Ca 0.00 -2.26 -0.05 0.00 -0.02 0.00 0.00 54.58 52.25 2jtg n ASN 44 Cb 0.00 -1.50 -0.05 0.00 -2.36 0.00 0.00 39.78 35.87 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 2jtg n PHE 45 N 16.83 0.00 -2.25 -2.53 -1.74 -1.26 -4.76 117.46 121.75 2jtg n PHE 45 Ca 0.32 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.79 2jtg n PHE 45 Cb 0.48 -0.16 -0.02 0.00 1.52 0.00 0.00 39.48 41.29 2jtg n PHE 45 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 2jtg s LYS 46 N 2.02 3.46 0.00 3.97 2.20 -1.26 -4.87 119.74 125.26 2jtg s LYS 46 Ca 0.29 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 2jtg s LYS 46 Cb -0.19 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 2jtg s LYS 46 CO 0.12 -1.71 0.52 -2.30 -0.36 0.00 0.00 175.35 171.62 2jtg n PRO 47 N 8.26 0.00 0.09 4.03 -0.02 -1.26 -2.39 135.00 143.71 2jtg n PRO 47 Ca 0.18 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 2jtg n PRO 47 Cb 0.48 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2jtg n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jtg h THR 48 N 0.00 0.91 0.00 3.45 1.03 -1.96 -3.23 112.91 113.11 2jtg h THR 48 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 2jtg h THR 48 Cb 0.00 0.98 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 2jtg h THR 48 CO 0.00 0.03 -0.68 0.29 -0.01 0.00 0.00 175.52 175.14 2jtg n LYS 49 N -5.13 2.71 0.05 0.00 4.76 -1.20 -4.74 118.16 114.61 2jtg n LYS 49 Ca -0.08 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.49 2jtg n LYS 49 Cb 0.11 -0.84 0.37 0.00 -1.84 0.00 0.00 35.03 32.82 2jtg n LYS 49 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2jtg n TYR 50 N -1.51 0.49 -0.41 2.13 4.01 -1.00 -4.66 117.16 116.21 2jtg n TYR 50 Ca 0.00 0.14 -0.13 0.00 -0.16 0.00 0.00 57.90 57.75 2jtg n TYR 50 Cb 0.33 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.65 2jtg n TYR 50 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2jtg n SER 51 N -1.94 0.13 -3.62 7.72 3.41 -1.22 -4.37 113.62 113.73 2jtg n SER 51 Ca 0.05 -1.62 -0.04 0.00 -0.26 0.00 0.00 58.87 57.01 2jtg n SER 51 Cb 0.40 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jtg s SER 52 N 4.50 -0.11 0.09 4.04 1.04 -1.26 -1.59 113.70 120.41 2jtg s SER 52 Ca 0.20 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.72 2jtg s SER 52 Cb 0.04 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 2jtg s SER 52 CO 0.10 -0.14 -0.08 -0.63 0.98 0.00 0.00 173.24 173.47 2jtg s ILE 53 N -1.70 0.76 0.21 -1.02 -1.09 0.36 -2.41 121.20 116.31 2jtg s ILE 53 Ca 0.08 -1.65 0.07 0.00 -2.23 0.00 0.00 60.65 56.92 2jtg s ILE 53 Cb -0.01 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 2jtg s ILE 53 CO -0.05 -0.65 0.07 0.00 -1.23 0.00 0.00 174.94 173.08 2jtg h SER 55 N 2.21 0.62 -1.30 0.00 4.64 -1.48 -3.02 113.55 115.23 2jtg h SER 55 Ca -0.47 -0.00 0.38 0.00 -0.47 0.00 0.00 61.79 61.22 2jtg h SER 55 Cb 1.22 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 2jtg h SER 55 CO 0.60 0.41 1.25 -0.62 -0.87 0.00 0.00 176.83 177.60 2jtg n GLU 56 N -4.47 0.01 -0.08 4.77 1.02 -1.26 0.11 120.64 120.73 2jtg n GLU 56 Ca 0.09 1.00 -0.07 0.00 -0.02 0.00 0.00 57.16 58.16 2jtg n GLU 56 Cb 0.18 -2.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.00 2jtg n GLU 56 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jtg n HIS 57 N -3.39 0.07 -1.59 -0.32 8.25 -1.14 -4.98 115.22 112.12 2jtg n HIS 57 Ca 0.29 0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.47 2jtg n HIS 57 Cb 1.64 -0.94 0.07 0.00 1.12 0.00 0.00 29.99 31.88 2jtg n HIS 57 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2jtg s PHE 58 N -2.65 3.00 0.34 4.41 0.08 0.29 -3.64 117.98 119.83 2jtg s PHE 58 Ca -0.09 1.27 -0.26 0.00 0.12 0.00 0.00 56.93 57.96 2jtg s PHE 58 Cb 0.07 -3.00 -0.09 0.00 -0.57 0.00 0.00 43.02 39.43 2jtg s PHE 58 CO 0.84 -1.48 1.07 0.95 -0.10 0.00 0.00 175.22 176.50 2jtg s THR 59 N -3.12 3.63 0.35 0.64 -4.23 -1.26 -4.94 115.64 106.71 2jtg s THR 59 Ca 0.59 1.41 0.10 0.00 -1.18 0.00 0.00 61.69 62.62 2jtg s THR 59 Cb -0.14 -3.82 0.33 0.00 1.34 0.00 0.00 72.50 70.22 2jtg s THR 59 CO 0.54 0.17 1.81 -0.65 -0.54 0.00 0.00 174.62 175.96 2jtg h PRO 60 N 3.10 0.62 0.00 3.99 0.11 -1.95 0.11 132.00 137.97 2jtg h PRO 60 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jtg h PRO 60 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2jtg h PRO 60 CO 0.64 0.41 -0.01 0.22 -0.21 0.00 0.00 178.00 179.05 2jtg h ASP 61 N 0.63 0.00 -0.36 -2.05 3.58 -2.02 -2.42 116.42 113.78 2jtg h ASP 61 Ca 0.53 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.91 2jtg h ASP 61 Cb 1.00 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.00 2jtg h ASP 61 CO -0.29 0.01 0.10 0.00 -2.88 0.00 0.00 179.24 176.18 2jtg n PHE 63 N 0.13 1.05 0.00 0.00 3.72 -0.91 -4.84 117.46 116.61 2jtg n PHE 63 Ca 0.19 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 2jtg n PHE 63 Cb 0.85 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2jtg n PHE 63 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2jtg n LYS 64 N -1.08 0.00 0.00 -1.08 5.02 -1.26 -5.02 118.16 114.73 2jtg n LYS 64 Ca 0.32 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2jtg n LYS 64 Cb 0.94 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 2jtg n LYS 64 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2jtg n ARG 65 N -0.14 0.00 -2.03 1.97 -4.01 -1.26 -5.15 116.66 106.05 2jtg n ARG 65 Ca 0.00 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.40 2jtg n ARG 65 Cb 0.00 0.00 -0.02 0.00 -3.04 0.00 0.00 32.46 29.40 2jtg n ARG 65 CO 0.00 0.00 0.00 -1.83 -3.04 0.00 0.00 177.63 172.76 2jtg s GLU 66 N -2.00 4.28 0.07 2.89 -1.05 -1.26 -4.44 118.70 117.20 2jtg s GLU 66 Ca 0.00 2.31 -0.09 0.00 -0.15 0.00 0.00 54.97 57.05 2jtg s GLU 66 Cb 0.00 -3.05 0.03 0.00 -0.44 0.00 0.00 34.13 30.67 2jtg s GLU 66 CO 0.00 -0.30 0.41 0.00 0.95 0.00 0.00 175.26 176.32 2jtg h ASN 68 N 0.78 0.09 -0.09 0.00 -0.73 -2.04 -3.30 115.58 110.30 2jtg h ASN 68 Ca -0.11 0.00 -0.25 0.00 1.87 0.00 0.00 56.30 57.82 2jtg h ASN 68 Cb 0.48 -0.02 -0.16 0.00 0.27 0.00 0.00 38.32 38.89 2jtg h ASN 68 CO 0.14 0.05 -0.46 0.59 -0.37 0.00 0.00 177.43 177.39 2jtg n ASN 69 N -4.42 -2.09 -2.74 1.15 3.02 -1.26 -4.99 115.26 103.93 2jtg n ASN 69 Ca 0.08 -3.41 -0.05 0.00 -0.03 0.00 0.00 54.58 51.18 2jtg n ASN 69 Cb 0.49 1.62 0.04 0.00 -0.61 0.00 0.00 39.78 41.32 2jtg n ASN 69 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jtg n LYS 70 N 0.15 1.42 -4.13 3.52 5.02 -1.24 -5.07 118.16 117.82 2jtg n LYS 70 Ca 0.05 -3.31 -0.09 0.00 -2.02 0.00 0.00 58.31 52.94 2jtg n LYS 70 Cb 0.73 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 2jtg n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jtg s LEU 71 N -3.46 2.45 0.00 -0.35 1.43 -1.26 -4.04 118.68 113.45 2jtg s LEU 71 Ca 0.27 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2jtg s LEU 71 Cb 0.39 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.69 2jtg s LEU 71 CO -0.00 -0.55 0.09 0.00 0.23 0.00 0.00 176.35 176.12 2jtg n LEU 72 N 0.02 -0.18 0.00 1.79 -0.00 -1.26 -4.77 117.00 112.60 2jtg n LEU 72 Ca -0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2jtg n LEU 72 Cb 0.61 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2jtg n LEU 72 CO 0.29 -0.16 0.00 1.17 -0.00 0.00 0.00 177.39 178.69 2jtg n LYS 73 N 0.49 1.14 -0.59 1.47 3.00 -1.26 -4.79 118.16 117.62 2jtg n LYS 73 Ca 0.00 0.00 0.48 0.00 -0.00 0.00 0.00 58.31 58.79 2jtg n LYS 73 Cb 0.05 0.00 0.76 0.00 0.00 0.00 0.00 35.03 35.84 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2jtg h GLU 74 N 0.00 0.00 -0.06 1.64 4.57 -1.96 1.22 114.58 119.99 2jtg h GLU 74 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 2jtg h GLU 74 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2jtg h GLU 74 CO 0.00 0.00 -0.51 -0.91 -1.18 0.00 0.00 179.01 176.41 2jtg h ASN 75 N 0.00 0.55 -1.32 1.04 2.35 -1.93 -3.46 115.58 112.81 2jtg h ASN 75 Ca 0.83 -0.68 -0.65 0.00 -0.55 0.00 0.00 56.30 55.24 2jtg h ASN 75 Cb 3.48 -0.17 0.13 0.00 0.05 0.00 0.00 38.32 41.81 2jtg h ASN 75 CO -0.01 1.15 -0.65 0.00 -1.65 0.00 0.00 177.43 176.27 2jtg n ALA 76 N -2.55 -2.80 -3.64 -0.83 0.00 0.42 -5.00 120.51 106.10 2jtg n ALA 76 Ca -0.09 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2jtg n ALA 76 Cb 0.61 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 2jtg n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jtg s VAL 77 N -1.25 0.00 -0.27 0.00 1.01 -1.26 -4.88 120.40 113.75 2jtg s VAL 77 Ca 0.62 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.61 2jtg s VAL 77 Cb -0.81 -1.00 0.29 0.00 0.00 0.00 0.00 36.38 34.86 2jtg s VAL 77 CO 0.59 0.00 1.69 -0.81 0.00 0.00 0.00 175.10 176.56 2jtg n PRO 78 N 2.01 1.71 0.00 2.72 -0.04 -1.26 -4.07 135.00 136.07 2jtg n PRO 78 Ca -0.12 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2jtg n PRO 78 Cb 0.56 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2jtg n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jtg n THR 79 N -0.07 0.00 -0.41 0.52 -2.24 -1.25 -0.48 114.28 110.35 2jtg n THR 79 Ca 0.30 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.45 2jtg n THR 79 Cb 0.88 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.75 2jtg n THR 79 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jtg h ILE 80 N 0.00 0.01 0.00 2.28 2.04 -1.89 0.76 117.51 120.71 2jtg h ILE 80 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jtg h ILE 80 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2jtg h ILE 80 CO 0.00 0.00 -1.63 0.49 0.00 0.00 0.00 178.15 177.01 2jtg n PHE 81 N -4.94 0.00 -2.36 1.37 3.01 0.37 -4.90 117.46 110.00 2jtg n PHE 81 Ca 0.39 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.43 2jtg n PHE 81 Cb 1.45 -0.32 -0.02 0.00 -0.01 0.00 0.00 39.48 40.58 2jtg n PHE 81 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2jtg s LEU 82 N -3.96 4.15 0.33 4.37 2.96 0.26 -4.77 118.68 122.02 2jtg s LEU 82 Ca -0.02 1.69 0.10 0.00 -0.22 0.00 0.00 54.13 55.68 2jtg s LEU 82 Cb 0.15 -3.54 0.87 0.00 0.50 0.00 0.00 46.19 44.17 2jtg s LEU 82 CO 0.89 -0.84 1.76 -0.33 -1.32 0.00 0.00 176.35 176.51 2jtg h GLU 83 N 8.60 0.61 0.00 1.98 3.07 -1.91 -3.41 114.58 123.52 2jtg h GLU 83 Ca -0.28 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2jtg h GLU 83 Cb 1.11 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 2jtg h GLU 83 CO 0.98 0.40 0.00 1.28 -1.40 0.00 0.00 179.01 180.27 2jtg n LEU 84 N -4.77 0.00 -4.70 1.33 4.77 -1.26 -5.07 117.00 107.30 2jtg n LEU 84 Ca 0.25 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 2jtg n LEU 84 Cb 0.69 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2jtg n LEU 84 CO 0.21 -0.77 -0.27 0.68 -1.33 0.00 0.00 177.39 175.91 2jtg s VAL 85 N -0.71 3.53 0.00 4.08 -7.23 -1.26 -4.98 120.40 113.83 2jtg s VAL 85 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2jtg s VAL 85 Cb 0.00 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.96 2jtg s VAL 85 CO 0.00 -0.33 0.00 -2.65 -0.31 0.00 0.00 175.10 171.81 2jtg n PRO 86 N -1.01 1.52 0.00 4.82 -0.02 -1.26 -5.04 135.00 134.01 2jtg n PRO 86 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2jtg n PRO 86 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 2jtg n PRO 86 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35