#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 1.83 0.00 2.03 0.31 -1.26 -4.96 118.33 116.28 2jtg n VAL 2 Ca 0.00 -1.85 0.00 0.00 -0.01 0.00 0.00 64.34 62.48 2jtg n VAL 2 Cb 0.00 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -0.80 0.00 -3.99 5.55 7.27 -1.26 -4.35 117.38 119.81 2jtg n GLN 3 Ca 0.15 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.99 2jtg n GLN 3 Cb 0.66 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.25 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 4.60 0.43 1.69 1.04 -1.26 -4.29 113.70 115.91 2jtg s SER 4 Ca 0.00 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.50 2jtg s SER 4 Cb 0.00 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.58 2jtg s SER 4 CO 0.00 -0.55 0.14 0.00 0.98 0.00 0.00 173.24 173.81 2jtg h SER 6 N 1.70 0.44 -1.25 0.00 0.87 -1.38 -3.44 113.55 110.48 2jtg h SER 6 Ca -0.35 -0.46 -0.81 0.00 -1.23 0.00 0.00 61.79 58.94 2jtg h SER 6 Cb 1.28 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2jtg h SER 6 CO 0.55 0.81 0.76 0.00 -0.53 0.00 0.00 176.83 178.42 2jtg n ALA 7 N -2.42 -0.90 -1.65 6.23 0.00 -1.26 -4.78 120.51 115.72 2jtg n ALA 7 Ca -0.05 0.45 -0.49 0.00 0.00 0.00 0.00 53.44 53.35 2jtg n ALA 7 Cb 0.36 -2.05 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 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 4.52 2.07 -3.77 0.00 9.36 -1.26 -2.77 117.16 125.31 2jtg n TYR 8 Ca 0.29 0.34 -0.30 0.00 3.32 0.00 0.00 57.90 61.54 2jtg n TYR 8 Cb 0.03 -2.50 0.02 0.00 -0.63 0.00 0.00 39.34 36.26 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 3.40 -1.09 3.93 2.98 0.00 -1.26 -4.96 105.19 108.19 2jtg n GLY 9 Ca 0.19 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.19 0.11 -0.96 0.00 3.00 -1.26 -4.99 118.16 111.86 2jtg n LYS 11 Ca 0.01 -0.01 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 2jtg n LYS 11 Cb 0.57 -1.52 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 -1.66 -5.69 -3.34 3.14 0.23 -1.26 -4.89 115.26 101.79 2jtg n ASN 12 Ca 0.03 0.16 0.02 0.00 -0.53 0.00 0.00 54.58 54.27 2jtg n ASN 12 Cb 0.37 -0.72 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 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 -1.93 0.41 -1.25 -3.83 1.70 -1.26 -4.66 118.95 108.13 2jtg s ARG 13 Ca 0.38 0.89 -0.20 0.00 -0.47 0.00 0.00 55.73 56.34 2jtg s ARG 13 Cb -0.16 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2jtg s ARG 13 CO 0.79 -0.28 1.78 -0.47 -1.08 0.00 0.00 175.30 176.04 2jtg s TYR 14 N 2.76 2.54 0.23 5.89 5.04 -1.26 -4.71 117.35 127.84 2jtg s TYR 14 Ca 0.03 -1.03 0.10 0.00 -2.44 0.00 0.00 57.07 53.74 2jtg s TYR 14 Cb -0.11 -4.55 -0.04 0.00 0.35 0.00 0.00 41.96 37.61 2jtg s TYR 14 CO -0.17 -1.66 -0.12 0.34 -1.34 0.00 0.00 175.55 172.59 2jtg s ASP 15 N 4.90 4.02 0.52 4.32 2.15 -1.26 -4.60 116.67 126.71 2jtg s ASP 15 Ca 0.57 -0.75 0.23 0.00 0.43 0.00 0.00 52.55 53.03 2jtg s ASP 15 Cb 0.02 -0.57 1.40 0.00 -0.30 0.00 0.00 42.92 43.48 2jtg s ASP 15 CO 0.08 0.07 2.11 0.50 -0.17 0.00 0.00 175.17 177.76 2jtg h LYS 16 N 2.55 0.00 0.00 4.34 3.64 -2.00 -3.09 116.57 122.02 2jtg h LYS 16 Ca -0.44 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 2jtg h LYS 16 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 2jtg h LYS 16 CO 0.56 0.09 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.02 2jtg h ASP 17 N 0.00 0.00 -1.96 4.20 5.19 -1.96 -3.44 116.42 118.45 2jtg h ASP 17 Ca -0.00 -0.32 -0.58 0.00 -0.62 0.00 0.00 57.03 55.51 2jtg h ASP 17 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2jtg h ASP 17 CO 0.01 0.87 1.51 -0.75 -3.12 0.00 0.00 179.24 177.76 2jtg s LYS 18 N -2.04 3.03 0.00 3.56 2.47 -1.17 -4.82 119.74 120.77 2jtg s LYS 18 Ca -0.14 1.97 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 2jtg s LYS 18 Cb 0.01 -4.40 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 2jtg s LYS 18 CO 0.32 -2.23 0.84 -0.35 0.16 0.00 0.00 175.35 174.09 2jtg n PRO 19 N 8.80 0.66 -3.05 4.03 -0.04 -1.26 -4.24 135.00 139.89 2jtg n PRO 19 Ca 0.31 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.37 2jtg n PRO 19 Cb 0.46 -1.17 -0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.43 4.82 0.30 0.52 0.11 -1.26 -5.07 120.40 120.24 2jtg s VAL 20 Ca 0.00 1.50 0.09 0.00 -2.93 0.00 0.00 61.98 60.64 2jtg s VAL 20 Cb 0.00 -4.05 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 2jtg s VAL 20 CO 0.00 0.37 0.02 -0.94 -3.33 0.00 0.00 175.10 171.22 2jtg s SER 21 N -0.00 4.42 0.05 3.54 1.04 -1.26 -4.84 113.70 116.66 2jtg s SER 21 Ca 0.36 -0.79 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2jtg s SER 21 Cb -0.19 -0.70 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 2jtg s SER 21 CO 0.21 -0.13 -0.18 -0.36 0.98 0.00 0.00 173.24 173.76 2jtg s PHE 22 N -2.41 1.58 -0.06 5.02 0.40 -1.26 -1.35 117.98 119.91 2jtg s PHE 22 Ca 0.34 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2jtg s PHE 22 Cb -0.04 -0.93 0.02 0.00 0.51 0.00 0.00 43.02 42.59 2jtg s PHE 22 CO 0.20 0.09 -0.03 -1.01 0.70 0.00 0.00 175.22 175.17 2jtg s HIS 23 N -0.90 0.76 0.79 0.36 3.76 0.15 -4.94 115.29 115.27 2jtg s HIS 23 Ca 0.05 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 2jtg s HIS 23 Cb -0.09 -0.75 0.07 0.00 1.11 0.00 0.00 32.58 32.93 2jtg s HIS 23 CO 0.02 -0.26 1.10 0.21 -0.85 0.00 0.00 174.74 174.96 2jtg s LYS 24 N 1.37 2.04 0.28 1.40 2.47 -1.26 0.13 119.74 126.16 2jtg s LYS 24 Ca -0.04 1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 55.33 2jtg s LYS 24 Cb -0.13 -1.87 -0.12 0.00 -1.46 0.00 0.00 37.83 34.26 2jtg s LYS 24 CO -0.03 -1.82 1.63 -0.06 0.16 0.00 0.00 175.35 175.23 2jtg s PHE 25 N -2.82 2.77 0.28 4.03 0.40 -1.10 -4.76 117.98 116.77 2jtg s PHE 25 Ca 0.63 0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.56 2jtg s PHE 25 Cb -0.19 -4.10 -0.06 0.00 0.51 0.00 0.00 43.02 39.19 2jtg s PHE 25 CO 0.56 -3.81 0.56 -1.25 0.70 0.00 0.00 175.22 171.97 2jtg s PRO 26 N -0.14 3.68 -0.08 0.24 0.04 -1.26 -5.01 135.00 132.46 2jtg s PRO 26 Ca 0.66 0.09 0.08 0.00 0.04 0.00 0.00 61.00 61.87 2jtg s PRO 26 Cb -0.49 -2.64 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 2jtg s PRO 26 CO 0.45 0.23 0.04 1.47 0.04 0.00 0.00 177.00 179.23 2jtg n LEU 27 N -0.74 0.00 0.21 -3.56 -0.00 -1.26 -4.51 117.00 107.15 2jtg n LEU 27 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.05 2jtg n LEU 27 Cb 0.53 0.21 0.47 0.00 -0.00 0.00 0.00 43.42 44.63 2jtg n LEU 27 CO 0.47 0.21 0.85 0.71 -0.00 0.00 0.00 177.39 179.63 2jtg h THR 28 N 0.00 1.13 -3.50 1.47 1.35 -2.00 -3.34 112.91 108.02 2jtg h THR 28 Ca -0.23 -0.83 -0.73 0.00 -0.55 0.00 0.00 66.41 64.07 2jtg h THR 28 Cb 1.49 1.45 -0.30 0.00 -1.73 0.00 0.00 68.15 69.06 2jtg h THR 28 CO 0.01 0.23 -0.26 -0.60 -0.25 0.00 0.00 175.52 174.66 2jtg s ARG 29 N -4.46 2.80 0.00 4.72 3.00 -1.26 -4.96 118.95 118.79 2jtg s ARG 29 Ca -0.03 -2.17 0.00 0.00 -1.00 0.00 0.00 55.73 52.52 2jtg s ARG 29 Cb 0.15 -4.00 0.00 0.00 0.00 0.00 0.00 34.95 31.10 2jtg s ARG 29 CO 0.70 -1.22 0.00 -0.35 0.00 0.00 0.00 175.30 174.43 2jtg n PRO 30 N 4.25 0.00 -0.09 5.12 -0.04 -1.26 -3.14 135.00 139.85 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 -0.62 -0.01 0.00 -0.04 0.00 0.00 33.50 33.24 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 -0.84 -0.59 3.54 4.64 -1.95 0.83 113.55 119.17 2jtg h SER 31 Ca 0.00 0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.52 2jtg h SER 31 Cb 0.00 0.41 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2jtg h SER 31 CO 0.00 -0.28 0.39 0.25 -0.87 0.00 0.00 176.83 176.32 2jtg h LEU 32 N -0.22 0.55 -1.80 5.97 5.85 -1.98 -0.71 115.31 122.97 2jtg h LEU 32 Ca 0.16 -0.00 0.23 0.00 0.84 0.00 0.00 57.88 59.11 2jtg h LEU 32 Cb 0.48 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2jtg h LEU 32 CO -0.46 0.37 0.61 0.00 -0.34 0.00 0.00 178.44 178.63 2jtg h LYS 34 N 0.16 0.54 -0.93 0.00 3.64 -0.45 0.83 116.57 120.37 2jtg h LYS 34 Ca 0.44 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2jtg h LYS 34 Cb 1.46 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 2jtg h LYS 34 CO -0.08 0.36 0.59 0.93 -2.27 0.00 0.00 179.45 178.98 2jtg h GLU 35 N 0.56 1.05 -0.24 1.90 5.08 -0.08 0.60 114.58 123.45 2jtg h GLU 35 Ca 0.50 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2jtg h GLU 35 Cb 1.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2jtg h GLU 35 CO -0.23 0.70 0.16 -1.49 -1.00 0.00 0.00 179.01 177.15 2jtg h TRP 36 N 1.08 0.18 -0.94 4.33 4.06 0.64 0.11 115.95 125.41 2jtg h TRP 36 Ca 0.40 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.45 2jtg h TRP 36 Cb 0.14 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.17 2jtg h TRP 36 CO -0.02 0.10 0.60 0.93 -3.56 0.00 0.00 178.44 176.50 2jtg h GLU 37 N 0.19 0.93 -0.46 0.49 5.08 -0.53 0.40 114.58 120.67 2jtg h GLU 37 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jtg h GLU 37 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2jtg h GLU 37 CO -0.02 0.61 0.21 0.00 -1.00 0.00 0.00 179.01 178.82 2jtg h ALA 38 N 1.54 1.50 -0.57 3.43 0.00 -0.77 -0.41 119.26 123.97 2jtg h ALA 38 Ca 0.44 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.41 2jtg h ALA 38 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jtg h ALA 38 CO -0.20 0.39 0.55 0.00 0.00 0.00 0.00 179.25 179.99 2jtg h ALA 39 N 1.59 2.36 0.00 0.00 0.00 -0.06 -3.11 119.26 120.04 2jtg h ALA 39 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jtg h ALA 39 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jtg h ALA 39 CO -0.02 -0.85 -0.26 0.28 0.00 0.00 0.00 179.25 178.40 2jtg n VAL 40 N -3.81 0.48 0.00 0.00 0.31 -0.23 -4.23 118.33 110.84 2jtg n VAL 40 Ca 0.11 0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2jtg n VAL 40 Cb 0.77 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 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 -3.09 0.00 -1.39 5.55 0.00 -0.78 -4.51 116.66 112.43 2jtg n ARG 41 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.53 2jtg n ARG 41 Cb 0.14 -0.65 0.22 0.00 0.00 0.00 0.00 32.46 32.17 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 -0.96 -2.24 0.00 -0.14 0.63 -1.26 -5.05 116.66 107.64 2jtg n ARG 42 Ca 0.00 -1.83 0.00 0.00 -0.92 0.00 0.00 57.85 55.10 2jtg n ARG 42 Cb 0.00 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.45 2jtg n ARG 42 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2jtg n LYS 43 N -4.27 0.48 -1.44 -0.14 4.81 -1.26 -4.50 118.16 111.83 2jtg n LYS 43 Ca 0.15 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.44 2jtg n LYS 43 Cb 0.56 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.47 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jtg n ASN 44 N -0.81 -0.45 -4.33 3.14 4.13 -1.26 -4.69 115.26 110.98 2jtg n ASN 44 Ca 0.00 -1.10 -0.14 0.00 1.68 0.00 0.00 54.58 55.03 2jtg n ASN 44 Cb 0.00 -0.94 -0.14 0.00 -1.54 0.00 0.00 39.78 37.16 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 2jtg n PHE 45 N 10.09 0.07 -1.53 3.10 1.16 -1.26 -4.75 117.46 124.33 2jtg n PHE 45 Ca 0.50 -0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.67 2jtg n PHE 45 Cb 0.30 -0.64 -0.05 0.00 -1.61 0.00 0.00 39.48 37.48 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 5.34 1.04 0.00 3.97 3.00 -1.26 -4.79 118.16 125.47 2jtg n LYS 46 Ca 0.43 0.13 0.01 0.00 -0.00 0.00 0.00 58.31 58.87 2jtg n LYS 46 Cb 0.29 -2.97 0.03 0.00 0.00 0.00 0.00 35.03 32.38 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 8.76 0.03 0.49 1.64 -0.02 -1.26 -2.48 135.00 142.17 2jtg n PRO 47 Ca 0.41 0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 2jtg n PRO 47 Cb 0.40 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.29 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 0.09 0.00 3.45 1.03 -1.96 -3.23 112.91 112.28 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 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.17 2jtg h THR 48 CO 0.00 0.00 -0.94 0.29 -0.01 0.00 0.00 175.52 174.86 2jtg n LYS 49 N -5.62 1.88 0.21 0.00 5.02 -1.23 -4.66 118.16 113.75 2jtg n LYS 49 Ca -0.16 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.26 2jtg n LYS 49 Cb 0.49 -0.97 0.24 0.00 -0.02 0.00 0.00 35.03 34.78 2jtg n LYS 49 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jtg h TYR 50 N 0.00 0.00 0.00 2.13 0.05 -1.69 -3.41 116.97 114.05 2jtg h TYR 50 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2jtg h TYR 50 Cb 0.42 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.18 2jtg h TYR 50 CO 0.00 0.00 0.90 -1.13 -1.05 0.00 0.00 178.16 176.88 2jtg n SER 51 N -2.97 0.09 -3.63 3.88 3.41 -1.22 -4.03 113.62 109.15 2jtg n SER 51 Ca 0.04 -1.82 -0.04 0.00 -0.26 0.00 0.00 58.87 56.79 2jtg n SER 51 Cb 0.50 -0.42 -0.04 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 4.65 -0.09 0.14 4.04 1.04 -1.26 -2.71 113.70 119.50 2jtg s SER 52 Ca 0.08 0.07 0.07 0.00 0.48 0.00 0.00 55.95 56.65 2jtg s SER 52 Cb 0.02 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2jtg s SER 52 CO 0.04 -0.11 -0.15 -0.63 0.98 0.00 0.00 173.24 173.37 2jtg s ILE 53 N -1.42 1.51 0.16 -1.02 -1.09 0.35 -1.44 121.20 118.25 2jtg s ILE 53 Ca 0.08 -1.85 0.06 0.00 -2.23 0.00 0.00 60.65 56.71 2jtg s ILE 53 Cb -0.01 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 2jtg s ILE 53 CO -0.05 -0.43 0.04 0.00 -1.23 0.00 0.00 174.94 173.27 2jtg h SER 55 N 2.69 0.73 -1.32 0.00 4.64 -1.59 -2.92 113.55 115.79 2jtg h SER 55 Ca -0.47 0.03 0.38 0.00 -0.47 0.00 0.00 61.79 61.27 2jtg h SER 55 Cb 1.20 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 2jtg h SER 55 CO 0.60 0.40 1.25 -0.62 -0.87 0.00 0.00 176.83 177.59 2jtg n GLU 56 N -4.56 0.01 -0.08 4.77 1.02 -1.26 0.90 120.64 121.45 2jtg n GLU 56 Ca 0.17 1.01 -0.06 0.00 -0.02 0.00 0.00 57.16 58.25 2jtg n GLU 56 Cb 0.39 -2.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.22 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 -3.41 0.08 -1.66 -0.32 8.25 -1.10 -4.98 115.22 112.08 2jtg n HIS 57 Ca 0.30 0.03 -0.30 0.00 -0.26 0.00 0.00 57.72 57.48 2jtg n HIS 57 Cb 1.65 -0.93 0.06 0.00 1.12 0.00 0.00 29.99 31.89 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 -2.67 3.10 0.29 4.41 0.08 0.26 -3.75 117.98 119.69 2jtg s PHE 58 Ca -0.09 1.23 -0.24 0.00 0.12 0.00 0.00 56.93 57.95 2jtg s PHE 58 Cb 0.07 -2.99 -0.09 0.00 -0.57 0.00 0.00 43.02 39.44 2jtg s PHE 58 CO 0.84 -1.37 0.87 0.95 -0.10 0.00 0.00 175.22 176.41 2jtg s THR 59 N -3.16 4.33 0.38 0.64 -4.23 -1.26 -4.95 115.64 107.40 2jtg s THR 59 Ca 0.59 1.64 0.15 0.00 -1.18 0.00 0.00 61.69 62.89 2jtg s THR 59 Cb -0.13 -3.96 0.37 0.00 1.34 0.00 0.00 72.50 70.11 2jtg s THR 59 CO 0.54 0.17 1.80 -0.65 -0.54 0.00 0.00 174.62 175.94 2jtg h PRO 60 N 3.27 0.47 0.00 3.99 0.11 -1.96 0.19 132.00 138.07 2jtg h PRO 60 Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jtg h PRO 60 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jtg h PRO 60 CO 0.65 0.31 -0.04 0.22 -0.21 0.00 0.00 178.00 178.93 2jtg h ASP 61 N 0.48 0.00 -0.37 -2.05 3.58 -2.03 -2.15 116.42 113.89 2jtg h ASP 61 Ca 0.55 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.94 2jtg h ASP 61 Cb 1.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 2jtg h ASP 61 CO -0.28 0.04 0.08 0.00 -2.88 0.00 0.00 179.24 176.21 2jtg n PHE 63 N 0.17 1.53 0.08 0.00 3.72 -0.81 -4.75 117.46 117.40 2jtg n PHE 63 Ca 0.19 -1.90 -0.12 0.00 -0.05 0.00 0.00 57.45 55.58 2jtg n PHE 63 Cb 0.86 -0.48 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 2jtg n PHE 63 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2jtg h LYS 64 N 1.44 -0.35 -4.01 -1.08 5.09 -1.81 -3.45 116.57 112.40 2jtg h LYS 64 Ca 0.25 0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.90 2jtg h LYS 64 Cb 1.41 0.08 -0.13 0.00 0.10 0.00 0.00 32.23 33.69 2jtg h LYS 64 CO 0.52 -0.23 -0.40 0.50 -2.09 0.00 0.00 179.45 177.75 2jtg s ARG 65 N -6.10 1.09 -0.12 0.07 6.06 -1.26 -5.06 118.95 113.64 2jtg s ARG 65 Ca -0.15 -1.23 0.15 0.00 -2.50 0.00 0.00 55.73 52.00 2jtg s ARG 65 Cb 0.08 0.34 0.36 0.00 0.06 0.00 0.00 34.95 35.79 2jtg s ARG 65 CO 0.66 -0.38 1.17 -0.85 -2.50 0.00 0.00 175.30 173.40 2jtg n GLU 66 N -0.18 0.94 -2.79 5.12 -0.00 -1.26 -4.71 120.64 117.75 2jtg n GLU 66 Ca -0.07 -2.59 -0.21 0.00 -0.00 0.00 0.00 57.16 54.29 2jtg n GLU 66 Cb 0.63 -1.05 0.08 0.00 -0.00 0.00 0.00 31.44 31.10 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jtg h ASN 68 N -0.13 0.42 -0.71 0.00 -1.24 -2.03 -3.25 115.58 108.64 2jtg h ASN 68 Ca -0.35 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.35 2jtg h ASN 68 Cb 1.28 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 2jtg h ASN 68 CO 0.42 1.09 0.46 -1.13 -1.29 0.00 0.00 177.43 176.97 2jtg h ASN 69 N 0.21 0.84 -3.60 1.15 -0.00 -2.01 -3.41 115.58 108.75 2jtg h ASN 69 Ca -0.05 -0.04 -0.59 0.00 -0.00 0.00 0.00 56.30 55.62 2jtg h ASN 69 Cb 1.44 -0.21 -0.32 0.00 -0.00 0.00 0.00 38.32 39.23 2jtg h ASN 69 CO 0.14 0.62 -0.85 -0.54 -0.00 0.00 0.00 177.43 176.81 2jtg s LYS 70 N -6.07 2.16 0.18 6.67 1.02 -1.23 -5.13 119.74 117.35 2jtg s LYS 70 Ca -0.13 -0.64 -0.17 0.00 0.02 0.00 0.00 55.97 55.04 2jtg s LYS 70 Cb 0.14 -1.76 0.03 0.00 -0.52 0.00 0.00 37.83 35.73 2jtg s LYS 70 CO 0.78 0.17 0.50 -0.51 -0.92 0.00 0.00 175.35 175.37 2jtg s LEU 71 N 0.31 0.11 0.00 3.17 1.43 -1.26 -3.40 118.68 119.03 2jtg s LEU 71 Ca -0.11 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2jtg s LEU 71 Cb -0.15 2.10 0.00 0.00 0.03 0.00 0.00 46.19 48.17 2jtg s LEU 71 CO 0.05 -1.01 0.00 0.00 0.23 0.00 0.00 176.35 175.62 2jtg n LEU 72 N -0.32 0.00 -4.27 1.79 -0.00 -1.26 -4.78 117.00 108.17 2jtg n LEU 72 Ca -0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.59 2jtg n LEU 72 Cb 0.63 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.34 2jtg n LEU 72 CO 0.17 0.00 0.38 -0.75 -0.00 0.00 0.00 177.39 177.19 2jtg s LYS 73 N 0.00 -3.15 0.54 1.47 2.47 -1.26 -4.56 119.74 115.25 2jtg s LYS 73 Ca 0.00 0.17 0.37 0.00 -1.56 0.00 0.00 55.97 54.95 2jtg s LYS 73 Cb 0.00 -1.35 1.54 0.00 -1.46 0.00 0.00 37.83 36.56 2jtg s LYS 73 CO 0.00 -5.03 1.79 1.49 0.16 0.00 0.00 175.35 173.76 2jtg h GLU 74 N -3.53 0.02 -0.45 4.03 4.57 -2.01 0.86 114.58 118.08 2jtg h GLU 74 Ca -0.43 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.64 2jtg h GLU 74 Cb 1.35 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2jtg h GLU 74 CO 0.28 0.01 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.10 2jtg h ASN 75 N 0.02 0.89 -0.78 1.04 2.35 -1.97 -3.45 115.58 113.67 2jtg h ASN 75 Ca 0.59 -0.36 -0.58 0.00 -0.55 0.00 0.00 56.30 55.40 2jtg h ASN 75 Cb 2.33 -0.24 0.06 0.00 0.05 0.00 0.00 38.32 40.51 2jtg h ASN 75 CO -0.03 1.05 -0.15 0.00 -1.65 0.00 0.00 177.43 176.64 2jtg n ALA 76 N -2.47 -2.75 -3.64 -0.83 0.00 0.30 -4.97 120.51 106.14 2jtg n ALA 76 Ca -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.80 2jtg n ALA 76 Cb 0.39 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.34 0.00 -0.21 0.00 1.01 -1.26 -4.93 120.40 114.66 2jtg s VAL 77 Ca 0.62 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.60 2jtg s VAL 77 Cb -0.88 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 34.73 2jtg s VAL 77 CO 0.44 0.00 1.63 -0.81 0.00 0.00 0.00 175.10 176.36 2jtg n PRO 78 N 2.14 1.56 0.00 2.72 -0.04 -1.26 -3.99 135.00 136.13 2jtg n PRO 78 Ca -0.12 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jtg n PRO 78 Cb 0.56 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.14 0.00 -0.32 0.52 -2.24 -1.25 -0.76 114.28 110.36 2jtg n THR 79 Ca 0.24 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.31 2jtg n THR 79 Cb 0.80 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.88 0.80 117.51 120.76 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 -1.07 0.49 0.00 0.00 0.00 178.15 177.57 2jtg n PHE 81 N -5.29 0.08 -1.46 1.37 3.01 0.06 -4.92 117.46 110.30 2jtg n PHE 81 Ca 0.35 0.02 -0.50 0.00 1.01 0.00 0.00 57.45 58.33 2jtg n PHE 81 Cb 1.19 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 40.37 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 -1.73 2.23 -0.07 4.37 0.00 0.28 -4.79 117.00 117.29 2jtg n LEU 82 Ca 0.03 0.42 -0.13 0.00 0.00 0.00 0.00 56.01 56.32 2jtg n LEU 82 Cb 0.39 -1.28 -0.11 0.00 0.00 0.00 0.00 43.42 42.42 2jtg n LEU 82 CO 0.42 -0.71 0.25 -0.33 0.00 0.00 0.00 177.39 177.02 2jtg h GLU 83 N 12.45 0.00 -5.52 1.96 5.08 -1.91 -3.43 114.58 123.20 2jtg h GLU 83 Ca -0.29 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.69 2jtg h GLU 83 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jtg h GLU 83 CO 1.01 0.86 1.38 1.28 -1.00 0.00 0.00 179.01 182.55 2jtg n LEU 84 N -4.62 2.06 -4.33 1.33 4.77 -1.26 -4.91 117.00 110.05 2jtg n LEU 84 Ca -0.11 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.82 2jtg n LEU 84 Cb 0.43 -1.55 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 2jtg n LEU 84 CO 0.28 -1.71 -0.07 -0.69 -1.33 0.00 0.00 177.39 173.88 2jtg s VAL 85 N 12.36 4.65 0.51 4.08 1.01 -1.26 -5.07 120.40 136.68 2jtg s VAL 85 Ca 1.00 -1.19 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 2jtg s VAL 85 Cb -0.24 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2jtg s VAL 85 CO 0.25 -0.49 1.36 -2.65 0.00 0.00 0.00 175.10 173.57 2jtg n PRO 86 N 5.03 1.84 0.00 2.72 -0.02 -1.26 -5.30 135.00 138.02 2jtg n PRO 86 Ca -0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2jtg n PRO 86 Cb 0.44 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2jtg n PRO 86 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37