#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 0.04 0.00 2.03 3.14 -1.26 -4.80 118.33 117.48 2jtg n VAL 2 Ca 0.00 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2jtg n VAL 2 Cb 0.00 0.21 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 2jtg n VAL 2 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2jtg n GLN 3 N -1.73 0.00 -1.56 1.45 7.27 -1.26 -5.00 117.38 116.55 2jtg n GLN 3 Ca -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.77 2jtg n GLN 3 Cb 0.19 0.00 0.13 0.00 2.41 0.00 0.00 30.24 32.97 2jtg n GLN 3 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2jtg s SER 4 N 0.00 3.62 0.35 1.69 1.04 -1.26 -4.73 113.70 114.41 2jtg s SER 4 Ca 0.00 0.97 0.04 0.00 0.48 0.00 0.00 55.95 57.43 2jtg s SER 4 Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 2jtg s SER 4 CO 0.00 -2.48 0.13 0.00 0.98 0.00 0.00 173.24 171.87 2jtg h SER 6 N 2.03 0.65 -1.03 0.00 0.87 -1.69 -3.46 113.55 110.92 2jtg h SER 6 Ca -0.35 -0.76 -0.80 0.00 -1.23 0.00 0.00 61.79 58.65 2jtg h SER 6 Cb 1.26 -0.20 0.04 0.00 -0.44 0.00 0.00 62.40 63.06 2jtg h SER 6 CO 0.57 1.32 0.17 0.00 -0.53 0.00 0.00 176.83 178.37 2jtg n ALA 7 N -2.61 -3.19 -1.67 6.23 0.00 -1.26 -4.77 120.51 113.24 2jtg n ALA 7 Ca -0.11 0.58 -0.47 0.00 0.00 0.00 0.00 53.44 53.45 2jtg n ALA 7 Cb 0.74 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 1.94 2.26 -4.12 0.00 9.36 -1.26 -2.30 117.16 123.04 2jtg n TYR 8 Ca 0.22 0.22 -0.30 0.00 3.32 0.00 0.00 57.90 61.36 2jtg n TYR 8 Cb 0.06 -2.56 -0.04 0.00 -0.63 0.00 0.00 39.34 36.17 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 3.59 -0.28 3.82 2.98 0.00 -1.26 -4.93 105.19 109.11 2jtg n GLY 9 Ca 0.18 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.88 1.47 -0.81 0.00 3.00 -1.26 -4.99 118.16 112.69 2jtg n LYS 11 Ca 0.08 -3.15 -0.33 0.00 -0.00 0.00 0.00 58.31 54.91 2jtg n LYS 11 Cb 0.53 -1.52 0.13 0.00 0.00 0.00 0.00 35.03 34.18 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 -1.07 -1.16 -3.16 3.14 0.23 -1.26 -5.02 115.26 106.96 2jtg n ASN 12 Ca 0.18 0.39 0.05 0.00 -0.53 0.00 0.00 54.58 54.67 2jtg n ASN 12 Cb 0.71 -1.30 -0.02 0.00 -2.08 0.00 0.00 39.78 37.08 2jtg n ASN 12 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jtg s ARG 13 N -3.89 0.08 -1.29 -3.83 1.70 -1.26 -4.58 118.95 105.89 2jtg s ARG 13 Ca 0.61 0.16 -0.18 0.00 -0.47 0.00 0.00 55.73 55.85 2jtg s ARG 13 Cb -0.23 0.09 0.07 0.00 -0.57 0.00 0.00 34.95 34.31 2jtg s ARG 13 CO 0.63 -0.08 1.72 -0.47 -1.08 0.00 0.00 175.30 176.03 2jtg s TYR 14 N 2.82 2.78 0.57 5.89 5.04 -1.26 -4.45 117.35 128.73 2jtg s TYR 14 Ca -0.06 -1.60 -0.08 0.00 -2.44 0.00 0.00 57.07 52.88 2jtg s TYR 14 Cb -0.08 -4.75 -0.03 0.00 0.35 0.00 0.00 41.96 37.45 2jtg s TYR 14 CO -0.10 -1.81 0.93 0.34 -1.34 0.00 0.00 175.55 173.57 2jtg s ASP 15 N 4.24 6.17 0.54 4.32 2.15 -1.14 -4.57 116.67 128.38 2jtg s ASP 15 Ca 0.53 1.18 0.30 0.00 0.43 0.00 0.00 52.55 54.99 2jtg s ASP 15 Cb 0.04 -2.32 1.46 0.00 -0.30 0.00 0.00 42.92 41.80 2jtg s ASP 15 CO 0.07 -0.79 1.92 0.50 -0.17 0.00 0.00 175.17 176.70 2jtg h LYS 16 N -0.12 0.00 0.00 4.34 3.11 -2.03 -2.31 116.57 119.57 2jtg h LYS 16 Ca -0.45 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.20 2jtg h LYS 16 Cb 1.20 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.40 2jtg h LYS 16 CO 0.62 0.00 -1.15 -0.25 -2.81 0.00 0.00 179.45 175.86 2jtg n ASP 17 N -4.28 1.85 -4.59 4.20 8.00 -1.26 -4.82 116.55 115.66 2jtg n ASP 17 Ca 0.16 0.46 -0.42 0.00 0.71 0.00 0.00 54.79 55.70 2jtg n ASP 17 Cb 0.85 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2jtg n ASP 17 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2jtg s LYS 18 N -2.34 3.22 0.00 -1.24 2.47 -0.87 -4.88 119.74 116.10 2jtg s LYS 18 Ca -0.26 1.09 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2jtg s LYS 18 Cb 0.05 -4.20 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 2jtg s LYS 18 CO 0.51 -2.00 1.87 -0.35 0.16 0.00 0.00 175.35 175.55 2jtg n PRO 19 N 8.54 1.00 -2.37 4.03 -0.04 -1.26 -2.88 135.00 142.02 2jtg n PRO 19 Ca 0.20 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2jtg n PRO 19 Cb 0.48 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.01 4.05 0.34 0.52 0.11 -1.26 -5.01 120.40 119.15 2jtg s VAL 20 Ca 0.00 1.17 0.04 0.00 -2.93 0.00 0.00 61.98 60.26 2jtg s VAL 20 Cb 0.00 -4.09 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2jtg s VAL 20 CO 0.00 -0.48 0.50 -0.94 -3.33 0.00 0.00 175.10 170.85 2jtg s SER 21 N 3.13 6.04 0.09 3.54 1.04 -1.26 -4.43 113.70 121.85 2jtg s SER 21 Ca 0.59 0.03 0.10 0.00 0.48 0.00 0.00 55.95 57.15 2jtg s SER 21 Cb -0.18 -1.50 -0.03 0.00 0.10 0.00 0.00 66.02 64.41 2jtg s SER 21 CO 0.25 -0.41 -0.26 -0.36 0.98 0.00 0.00 173.24 173.44 2jtg s PHE 22 N -2.23 2.28 -0.04 5.02 0.40 -1.26 -1.39 117.98 120.76 2jtg s PHE 22 Ca 0.43 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2jtg s PHE 22 Cb -0.10 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.16 2jtg s PHE 22 CO 0.33 0.23 0.01 -1.01 0.70 0.00 0.00 175.22 175.47 2jtg s HIS 23 N -0.94 0.38 0.75 0.36 3.76 0.64 -4.71 115.29 115.54 2jtg s HIS 23 Ca 0.13 -0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 2jtg s HIS 23 Cb -0.10 -0.51 0.04 0.00 1.11 0.00 0.00 32.58 33.13 2jtg s HIS 23 CO 0.04 -0.18 1.09 0.15 -0.85 0.00 0.00 174.74 174.99 2jtg s LYS 24 N 1.34 2.42 0.12 1.40 3.01 -1.26 0.13 119.74 126.89 2jtg s LYS 24 Ca -0.05 1.14 -0.31 0.00 -1.01 0.00 0.00 55.97 55.74 2jtg s LYS 24 Cb -0.13 -1.92 -0.10 0.00 -1.01 0.00 0.00 37.83 34.67 2jtg s LYS 24 CO -0.02 -1.52 1.77 -0.06 0.51 0.00 0.00 175.35 176.02 2jtg s PHE 25 N -2.89 2.32 0.39 3.18 0.40 -0.46 -4.73 117.98 116.18 2jtg s PHE 25 Ca 0.61 0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.99 2jtg s PHE 25 Cb -0.17 -4.11 -0.05 0.00 0.51 0.00 0.00 43.02 39.20 2jtg s PHE 25 CO 0.55 -4.52 0.70 -1.25 0.70 0.00 0.00 175.22 171.39 2jtg s PRO 26 N 2.51 3.64 -0.07 0.24 0.04 -1.26 -4.96 135.00 135.14 2jtg s PRO 26 Ca 0.78 0.19 0.09 0.00 0.04 0.00 0.00 61.00 62.10 2jtg s PRO 26 Cb -0.45 -2.48 -0.12 0.00 0.04 0.00 0.00 34.50 31.49 2jtg s PRO 26 CO 0.35 -0.00 0.08 1.47 0.04 0.00 0.00 177.00 178.94 2jtg n LEU 27 N -1.52 0.00 0.23 -3.56 -0.00 -1.26 -4.51 117.00 106.38 2jtg n LEU 27 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2jtg n LEU 27 Cb 0.54 0.17 0.53 0.00 -0.00 0.00 0.00 43.42 44.66 2jtg n LEU 27 CO 0.49 0.17 0.91 0.71 -0.00 0.00 0.00 177.39 179.67 2jtg h THR 28 N 0.00 1.07 -3.46 1.47 1.35 -2.01 -3.34 112.91 108.00 2jtg h THR 28 Ca -0.19 -0.61 -0.74 0.00 -0.55 0.00 0.00 66.41 64.32 2jtg h THR 28 Cb 1.28 1.34 -0.29 0.00 -1.73 0.00 0.00 68.15 68.74 2jtg h THR 28 CO 0.01 0.17 -0.25 -0.60 -0.25 0.00 0.00 175.52 174.60 2jtg s ARG 29 N -4.60 2.82 0.00 4.72 3.00 -1.26 -4.96 118.95 118.67 2jtg s ARG 29 Ca -0.04 -2.10 0.00 0.00 -1.00 0.00 0.00 55.73 52.59 2jtg s ARG 29 Cb 0.15 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 31.07 2jtg s ARG 29 CO 0.69 -1.23 0.00 -0.35 0.00 0.00 0.00 175.30 174.41 2jtg n PRO 30 N 4.40 0.00 -0.06 5.12 -0.04 -1.26 -3.25 135.00 139.91 2jtg n PRO 30 Ca 0.00 0.13 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2jtg n PRO 30 Cb 0.42 -0.60 -0.01 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 -0.70 -0.52 3.54 4.64 -1.95 0.66 113.55 119.22 2jtg h SER 31 Ca 0.00 0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.51 2jtg h SER 31 Cb 0.00 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 2jtg h SER 31 CO 0.00 -0.25 0.35 0.25 -0.87 0.00 0.00 176.83 176.31 2jtg h LEU 32 N -0.20 0.46 -1.94 5.97 5.85 -1.98 -0.72 115.31 122.74 2jtg h LEU 32 Ca 0.15 -0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.06 2jtg h LEU 32 Cb 0.43 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2jtg h LEU 32 CO -0.40 0.31 0.49 0.00 -0.34 0.00 0.00 178.44 178.50 2jtg h LYS 34 N 0.05 0.56 -0.91 0.00 3.64 -0.60 0.86 116.57 120.17 2jtg h LYS 34 Ca 0.33 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.75 2jtg h LYS 34 Cb 1.23 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 2jtg h LYS 34 CO -0.02 0.37 0.57 0.93 -2.27 0.00 0.00 179.45 179.03 2jtg h GLU 35 N 0.58 0.97 -0.34 1.90 5.08 -0.62 0.10 114.58 122.26 2jtg h GLU 35 Ca 0.54 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.86 2jtg h GLU 35 Cb 1.08 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2jtg h GLU 35 CO -0.28 0.64 0.22 -1.49 -1.00 0.00 0.00 179.01 177.11 2jtg h TRP 36 N 1.00 0.36 -0.83 4.33 4.06 0.66 0.15 115.95 125.69 2jtg h TRP 36 Ca 0.41 0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.44 2jtg h TRP 36 Cb 0.23 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.22 2jtg h TRP 36 CO -0.02 0.22 0.54 0.93 -3.56 0.00 0.00 178.44 176.54 2jtg h GLU 37 N 0.38 0.84 -0.37 0.49 5.08 -0.42 0.32 114.58 120.90 2jtg h GLU 37 Ca 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2jtg h GLU 37 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2jtg h GLU 37 CO -0.03 0.56 0.13 0.00 -1.00 0.00 0.00 179.01 178.67 2jtg h ALA 38 N 1.56 1.54 -0.33 3.43 0.00 -0.61 0.44 119.26 125.29 2jtg h ALA 38 Ca 0.36 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2jtg h ALA 38 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jtg h ALA 38 CO -0.14 0.36 0.33 0.00 0.00 0.00 0.00 179.25 179.80 2jtg h ALA 39 N 1.62 2.05 0.00 0.00 0.00 -0.16 -3.27 119.26 119.51 2jtg h ALA 39 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jtg h ALA 39 Cb 0.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jtg h ALA 39 CO -0.01 -0.50 -0.26 0.28 0.00 0.00 0.00 179.25 178.76 2jtg n VAL 40 N -3.88 0.52 -1.66 0.00 0.31 -0.07 -4.21 118.33 109.33 2jtg n VAL 40 Ca 0.05 0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 64.49 2jtg n VAL 40 Cb 0.49 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.70 2jtg n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2jtg n ARG 41 N -3.11 -1.40 0.00 5.55 3.00 0.13 -4.61 116.66 116.22 2jtg n ARG 41 Ca -0.04 1.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.99 2jtg n ARG 41 Cb 0.14 -5.54 0.00 0.00 0.00 0.00 0.00 32.46 27.05 2jtg n ARG 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2jtg n ARG 42 N -2.47 3.73 0.00 -0.14 0.63 -1.26 -5.11 116.66 112.04 2jtg n ARG 42 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 2jtg n ARG 42 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2jtg n ARG 42 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2jtg n LYS 43 N 0.00 -1.12 -0.98 -0.14 5.02 -1.26 -4.62 118.16 115.05 2jtg n LYS 43 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2jtg n LYS 43 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 34.94 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jtg n ASN 44 N -2.30 2.17 -1.31 4.39 3.02 -1.26 -4.81 115.26 115.17 2jtg n ASN 44 Ca 0.00 -2.63 -0.03 0.00 -0.03 0.00 0.00 54.58 51.89 2jtg n ASN 44 Cb 0.00 -0.96 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jtg n PHE 45 N 7.79 0.00 -1.58 3.10 1.16 -1.26 -4.71 117.46 121.96 2jtg n PHE 45 Ca 0.49 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.66 2jtg n PHE 45 Cb 0.40 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 38.09 2jtg n PHE 45 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2jtg n LYS 46 N 1.53 1.62 0.00 3.97 3.00 -1.26 -4.80 118.16 122.22 2jtg n LYS 46 Ca 0.09 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 2jtg n LYS 46 Cb 0.11 -3.28 0.00 0.00 0.00 0.00 0.00 35.03 31.86 2jtg n LYS 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2jtg n PRO 47 N 8.83 0.00 0.36 1.64 -0.02 -1.26 -2.40 135.00 142.16 2jtg n PRO 47 Ca 0.33 0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.67 2jtg n PRO 47 Cb 0.47 -1.50 -0.07 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 0.00 0.00 3.45 1.03 -1.96 -3.27 112.91 112.16 2jtg h THR 48 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2jtg h THR 48 Cb 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 67.08 2jtg h THR 48 CO 0.00 0.00 -0.92 2.29 -0.01 0.00 0.00 175.52 176.88 2jtg n LYS 49 N -4.66 0.46 0.18 0.00 2.85 -1.22 -4.65 118.16 111.12 2jtg n LYS 49 Ca -0.12 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.21 2jtg n LYS 49 Cb 0.38 -0.96 0.21 0.00 -0.65 0.00 0.00 35.03 34.01 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2jtg h TYR 50 N 0.00 0.00 -0.01 5.58 0.05 -1.69 -3.41 116.97 117.49 2jtg h TYR 50 Ca 0.00 0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.41 2jtg h TYR 50 Cb 0.00 0.00 0.09 0.00 1.01 0.00 0.00 36.73 37.83 2jtg h TYR 50 CO 0.00 0.32 1.02 0.45 -1.05 0.00 0.00 178.16 178.91 2jtg n SER 51 N -3.27 0.43 -3.61 3.88 2.88 -1.23 -4.42 113.62 108.28 2jtg n SER 51 Ca 0.02 -1.97 -0.04 0.00 -1.33 0.00 0.00 58.87 55.55 2jtg n SER 51 Cb 0.59 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jtg s SER 52 N 5.90 -0.12 0.07 -3.46 1.04 -1.26 -1.35 113.70 114.52 2jtg s SER 52 Ca 0.51 0.07 0.01 0.00 0.48 0.00 0.00 55.95 57.02 2jtg s SER 52 Cb 0.09 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 2jtg s SER 52 CO 0.24 -0.16 -0.06 -0.63 0.98 0.00 0.00 173.24 173.61 2jtg s ILE 53 N -1.71 0.52 0.14 -1.02 -1.09 0.34 -2.43 121.20 115.94 2jtg s ILE 53 Ca 0.08 -1.56 0.06 0.00 -2.23 0.00 0.00 60.65 57.00 2jtg s ILE 53 Cb -0.01 -1.20 -0.04 0.00 -1.58 0.00 0.00 42.46 39.64 2jtg s ILE 53 CO -0.05 -0.71 0.02 0.00 -1.23 0.00 0.00 174.94 172.98 2jtg h SER 55 N 2.93 0.37 -1.18 0.00 0.02 -1.57 -2.77 113.55 111.35 2jtg h SER 55 Ca -0.47 0.03 0.34 0.00 -0.84 0.00 0.00 61.79 60.85 2jtg h SER 55 Cb 1.19 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 2jtg h SER 55 CO 0.60 0.16 1.11 -0.33 -1.14 0.00 0.00 176.83 177.23 2jtg h GLU 56 N 0.38 0.00 -0.00 3.45 5.08 -1.95 0.91 114.58 122.44 2jtg h GLU 56 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2jtg h GLU 56 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jtg h GLU 56 CO -0.14 0.00 -0.71 0.72 -1.00 0.00 0.00 179.01 177.87 2jtg n HIS 57 N -3.58 0.00 -3.43 4.33 8.25 -1.05 -4.97 115.22 114.78 2jtg n HIS 57 Ca 0.26 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.44 2jtg n HIS 57 Cb 1.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.56 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 -2.57 3.48 0.15 4.41 0.08 0.31 -3.54 117.98 120.31 2jtg s PHE 58 Ca 0.10 0.58 -0.18 0.00 0.12 0.00 0.00 56.93 57.56 2jtg s PHE 58 Cb 0.15 -2.05 -0.07 0.00 -0.57 0.00 0.00 43.02 40.47 2jtg s PHE 58 CO 0.67 0.23 0.63 0.95 -0.10 0.00 0.00 175.22 177.60 2jtg s THR 59 N -2.01 4.70 0.31 0.64 -4.23 -1.24 -4.97 115.64 108.84 2jtg s THR 59 Ca 0.43 1.13 0.07 0.00 -1.18 0.00 0.00 61.69 62.14 2jtg s THR 59 Cb -0.11 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.20 2jtg s THR 59 CO 0.29 0.33 1.79 -0.65 -0.54 0.00 0.00 174.62 175.84 2jtg h PRO 60 N 3.81 0.73 0.00 3.99 0.11 -1.97 0.19 132.00 138.85 2jtg h PRO 60 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 2jtg h PRO 60 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2jtg h PRO 60 CO 0.65 0.48 -0.13 0.22 -0.21 0.00 0.00 178.00 179.01 2jtg h ASP 61 N 0.75 0.00 0.29 -2.05 1.82 -2.02 -1.28 116.42 113.93 2jtg h ASP 61 Ca 0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.21 2jtg h ASP 61 Cb 0.90 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.91 2jtg h ASP 61 CO -0.35 0.13 0.00 0.00 -1.61 0.00 0.00 179.24 177.41 2jtg n PHE 63 N -1.18 3.11 0.14 0.00 3.01 -0.48 -4.43 117.46 117.63 2jtg n PHE 63 Ca 0.15 -2.68 0.16 0.00 1.01 0.00 0.00 57.45 56.08 2jtg n PHE 63 Cb 0.16 -0.72 0.72 0.00 -0.01 0.00 0.00 39.48 39.63 2jtg n PHE 63 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2jtg h LYS 64 N 2.48 0.00 -6.21 -1.08 2.10 -1.74 -3.41 116.57 108.71 2jtg h LYS 64 Ca 0.45 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 58.45 2jtg h LYS 64 Cb 0.80 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.01 2jtg h LYS 64 CO 1.14 0.00 -0.64 1.03 -2.00 0.00 0.00 179.45 178.98 2jtg s ARG 65 N -4.92 2.74 -0.14 0.07 1.81 -1.26 -5.11 118.95 112.14 2jtg s ARG 65 Ca -0.05 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 2jtg s ARG 65 Cb 0.18 -2.65 -0.01 0.00 -0.45 0.00 0.00 34.95 32.02 2jtg s ARG 65 CO 0.66 0.59 -0.15 -2.00 -0.68 0.00 0.00 175.30 173.72 2jtg s GLU 66 N -1.94 3.27 0.17 3.54 2.56 -1.26 -4.84 118.70 120.20 2jtg s GLU 66 Ca 0.23 -0.73 -0.06 0.00 0.00 0.00 0.00 54.97 54.41 2jtg s GLU 66 Cb -0.12 -2.60 0.02 0.00 2.00 0.00 0.00 34.13 33.44 2jtg s GLU 66 CO 0.15 0.12 0.34 0.00 -0.56 0.00 0.00 175.26 175.31 2jtg h ASN 68 N 0.86 -0.30 -0.13 0.00 -1.24 -2.00 -3.42 115.58 109.34 2jtg h ASN 68 Ca -0.15 0.02 -0.20 0.00 0.71 0.00 0.00 56.30 56.68 2jtg h ASN 68 Cb 0.54 0.09 -0.20 0.00 0.73 0.00 0.00 38.32 39.47 2jtg h ASN 68 CO 0.18 -0.19 -0.48 -0.46 -1.29 0.00 0.00 177.43 175.20 2jtg n ASN 69 N -2.95 -0.93 -2.85 1.15 6.94 -1.26 -4.81 115.26 110.55 2jtg n ASN 69 Ca -0.04 -2.28 -0.19 0.00 -0.02 0.00 0.00 54.58 52.05 2jtg n ASN 69 Cb 0.13 0.51 -0.01 0.00 -2.36 0.00 0.00 39.78 38.05 2jtg n ASN 69 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2jtg n LYS 70 N -1.10 1.97 -3.87 -3.83 3.00 -1.26 -4.70 118.16 108.37 2jtg n LYS 70 Ca -0.09 -3.88 -0.30 0.00 -0.00 0.00 0.00 58.31 54.04 2jtg n LYS 70 Cb 0.86 -1.79 -0.14 0.00 0.00 0.00 0.00 35.03 33.95 2jtg n LYS 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jtg s LEU 71 N -3.06 3.69 -0.37 3.14 1.43 -1.26 -4.88 118.68 117.37 2jtg s LEU 71 Ca 0.40 -2.51 0.05 0.00 -1.03 0.00 0.00 54.13 51.04 2jtg s LEU 71 Cb 0.38 -1.37 0.29 0.00 0.03 0.00 0.00 46.19 45.52 2jtg s LEU 71 CO -0.08 -0.30 1.26 0.00 0.23 0.00 0.00 176.35 177.46 2jtg n LEU 72 N 3.74 -1.64 0.00 1.79 -0.00 -1.26 -4.90 117.00 114.73 2jtg n LEU 72 Ca 0.05 -2.61 -0.21 0.00 -0.00 0.00 0.00 56.01 53.23 2jtg n LEU 72 Cb 0.36 0.85 0.18 0.00 -0.00 0.00 0.00 43.42 44.82 2jtg n LEU 72 CO 0.25 1.72 0.41 0.29 -0.00 0.00 0.00 177.39 180.06 2jtg n LYS 73 N 0.18 -2.74 -0.42 1.47 4.76 -1.26 -4.58 118.16 115.57 2jtg n LYS 73 Ca -0.05 -1.23 0.40 0.00 -2.87 0.00 0.00 58.31 54.56 2jtg n LYS 73 Cb 0.73 -1.20 0.73 0.00 -1.84 0.00 0.00 35.03 33.46 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jtg h GLU 74 N 0.00 0.00 -0.31 1.97 4.81 -1.99 0.96 114.58 120.02 2jtg h GLU 74 Ca -0.29 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.82 2jtg h GLU 74 Cb 0.91 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2jtg h GLU 74 CO 0.19 0.00 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.29 2jtg h ASN 75 N 0.00 0.78 -0.70 1.04 2.35 -1.91 -3.46 115.58 113.68 2jtg h ASN 75 Ca 0.66 -0.46 -0.48 0.00 -0.55 0.00 0.00 56.30 55.48 2jtg h ASN 75 Cb 2.83 -0.22 0.07 0.00 0.05 0.00 0.00 38.32 41.05 2jtg h ASN 75 CO -0.01 1.07 -0.31 0.00 -1.65 0.00 0.00 177.43 176.53 2jtg n ALA 76 N -2.49 -2.36 -3.64 -0.83 0.00 0.33 -4.89 120.51 106.63 2jtg n ALA 76 Ca -0.03 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.68 2jtg n ALA 76 Cb 0.46 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.60 0.00 -0.32 0.00 1.01 -1.26 -4.95 120.40 114.28 2jtg s VAL 77 Ca 0.47 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.46 2jtg s VAL 77 Cb -0.68 -1.00 0.34 0.00 0.00 0.00 0.00 36.38 35.04 2jtg s VAL 77 CO 0.39 0.00 1.75 -0.81 0.00 0.00 0.00 175.10 176.43 2jtg n PRO 78 N 2.30 1.85 0.00 2.72 -0.04 -1.26 -3.70 135.00 136.87 2jtg n PRO 78 Ca -0.13 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 2jtg n PRO 78 Cb 0.56 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 2jtg n PRO 78 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jtg n THR 79 N -0.25 0.00 -0.70 0.52 -1.04 -1.23 -0.63 114.28 110.96 2jtg n THR 79 Ca 0.36 0.00 0.53 0.00 -2.04 0.00 0.00 64.05 62.90 2jtg n THR 79 Cb 0.94 0.00 0.82 0.00 -1.82 0.00 0.00 70.33 70.28 2jtg n THR 79 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jtg h ILE 80 N 0.00 0.02 0.00 12.58 2.04 -1.88 0.72 117.51 130.99 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 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2jtg h ILE 80 CO 0.00 0.00 -1.14 0.49 0.00 0.00 0.00 178.15 177.50 2jtg n PHE 81 N -3.94 0.00 -1.55 1.37 3.01 0.20 -4.93 117.46 111.63 2jtg n PHE 81 Ca 0.44 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.55 2jtg n PHE 81 Cb 2.00 -0.16 -0.04 0.00 -0.01 0.00 0.00 39.48 41.27 2jtg n PHE 81 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2jtg n LEU 82 N -1.66 2.19 -0.23 4.37 -0.00 0.25 -4.80 117.00 117.13 2jtg n LEU 82 Ca -0.00 -0.52 0.03 0.00 -0.00 0.00 0.00 56.01 55.52 2jtg n LEU 82 Cb 0.26 -1.56 0.15 0.00 -0.00 0.00 0.00 43.42 42.27 2jtg n LEU 82 CO 0.25 -1.59 0.91 -0.08 -0.00 0.00 0.00 177.39 176.88 2jtg h GLU 83 N 19.03 0.23 -5.15 1.96 4.81 -1.92 -3.38 114.58 130.17 2jtg h GLU 83 Ca -0.22 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.85 2jtg h GLU 83 Cb 1.26 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 2jtg h GLU 83 CO 1.17 0.15 0.90 1.28 -0.73 0.00 0.00 179.01 181.78 2jtg n LEU 84 N -5.17 0.11 -3.69 1.64 4.32 -1.26 -4.79 117.00 108.15 2jtg n LEU 84 Ca 0.12 -1.21 -0.28 0.00 -0.02 0.00 0.00 56.01 54.62 2jtg n LEU 84 Cb 0.40 -1.13 -0.12 0.00 -1.62 0.00 0.00 43.42 40.96 2jtg n LEU 84 CO 0.13 -2.17 -0.17 -0.69 -1.22 0.00 0.00 177.39 173.27 2jtg s VAL 85 N 7.89 1.74 -0.08 4.08 1.01 -1.26 -5.09 120.40 128.68 2jtg s VAL 85 Ca 0.99 -3.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.26 2jtg s VAL 85 Cb -0.40 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.74 2jtg s VAL 85 CO 0.28 -1.07 2.06 -2.65 0.00 0.00 0.00 175.10 173.72 2jtg n PRO 86 N 2.55 2.41 -0.53 2.72 -0.02 -1.26 -5.27 135.00 135.60 2jtg n PRO 86 Ca 0.21 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 2jtg n PRO 86 Cb 0.39 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 2jtg n PRO 86 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35