#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 1.78 -3.65 1.12 0.24 -1.26 -4.99 118.33 111.58 2jtg n VAL 2 Ca 0.00 -1.83 -0.03 0.00 -2.04 0.00 0.00 64.34 60.43 2jtg n VAL 2 Cb 0.00 -0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.25 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2jtg s GLN 3 N -2.39 0.22 0.41 7.34 2.00 -1.26 -4.57 119.66 121.41 2jtg s GLN 3 Ca 0.29 0.30 0.08 0.00 -2.00 0.00 0.00 55.36 54.03 2jtg s GLN 3 Cb 0.24 0.09 0.00 0.00 0.80 0.00 0.00 33.01 34.14 2jtg s GLN 3 CO 0.06 -0.03 0.53 -1.54 -0.50 0.00 0.00 175.29 173.80 2jtg s SER 4 N 0.47 5.62 0.30 6.67 1.04 -1.26 -4.41 113.70 122.13 2jtg s SER 4 Ca 0.01 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2jtg s SER 4 Cb -0.04 -0.74 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 2jtg s SER 4 CO -0.12 -0.69 0.22 0.00 0.98 0.00 0.00 173.24 173.63 2jtg h SER 6 N 2.25 0.62 -1.22 0.00 0.87 -1.54 -3.46 113.55 111.07 2jtg h SER 6 Ca -0.29 -0.58 -0.71 0.00 -1.23 0.00 0.00 61.79 58.97 2jtg h SER 6 Cb 1.24 -0.18 0.08 0.00 -0.44 0.00 0.00 62.40 63.10 2jtg h SER 6 CO 0.43 1.09 -0.11 0.00 -0.53 0.00 0.00 176.83 177.72 2jtg n ALA 7 N -2.52 -2.70 -2.03 6.23 0.00 -1.26 -4.83 120.51 113.40 2jtg n ALA 7 Ca -0.07 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 2jtg n ALA 7 Cb 0.54 -1.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 2jtg n ALA 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2jtg s TYR 8 N -0.41 2.91 -1.09 0.00 6.14 -1.26 -3.51 117.35 120.12 2jtg s TYR 8 Ca 0.77 0.65 -0.21 0.00 0.64 0.00 0.00 57.07 58.92 2jtg s TYR 8 Cb -1.05 -3.84 0.01 0.00 0.42 0.00 0.00 41.96 37.50 2jtg s TYR 8 CO 0.56 -3.16 0.73 0.41 0.64 0.00 0.00 175.55 174.73 2jtg n GLY 9 N 3.74 -1.01 3.91 8.97 0.00 -1.26 -4.95 105.19 114.58 2jtg n GLY 9 Ca 0.14 0.44 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.17 2.36 -1.01 0.00 3.00 -1.26 -5.03 118.16 114.05 2jtg n LYS 11 Ca 0.00 -2.97 -0.31 0.00 -0.00 0.00 0.00 58.31 55.03 2jtg n LYS 11 Cb 0.55 -1.82 0.13 0.00 0.00 0.00 0.00 35.03 33.89 2jtg n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jtg s ASN 12 N -2.23 3.71 -0.29 3.14 2.20 -1.26 -4.93 114.94 115.27 2jtg s ASN 12 Ca 0.43 1.94 -0.03 0.00 -0.94 0.00 0.00 52.86 54.25 2jtg s ASN 12 Cb 0.37 -2.51 0.17 0.00 -2.00 0.00 0.00 41.25 37.28 2jtg s ASN 12 CO 0.05 -2.56 0.58 -0.13 -2.94 0.00 0.00 177.10 172.09 2jtg s ARG 13 N -4.79 0.54 -1.16 3.55 0.52 -1.26 -4.33 118.95 112.02 2jtg s ARG 13 Ca 0.64 1.05 -0.22 0.00 -0.52 0.00 0.00 55.73 56.68 2jtg s ARG 13 Cb -0.20 0.50 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 2jtg s ARG 13 CO 0.57 -0.52 1.83 -0.47 0.02 0.00 0.00 175.30 176.73 2jtg s TYR 14 N 2.82 2.22 0.10 -0.53 6.14 -1.26 -4.70 117.35 122.14 2jtg s TYR 14 Ca 0.14 -0.21 0.09 0.00 0.64 0.00 0.00 57.07 57.73 2jtg s TYR 14 Cb -0.14 -4.29 -0.04 0.00 0.42 0.00 0.00 41.96 37.91 2jtg s TYR 14 CO -0.20 -1.53 -0.22 0.34 0.64 0.00 0.00 175.55 174.59 2jtg s ASP 15 N 5.96 3.64 0.54 4.32 -1.08 -1.26 -4.81 116.67 123.97 2jtg s ASP 15 Ca 0.62 -0.60 0.20 0.00 -0.52 0.00 0.00 52.55 52.26 2jtg s ASP 15 Cb -0.00 -0.43 1.43 0.00 -1.46 0.00 0.00 42.92 42.45 2jtg s ASP 15 CO 0.07 0.20 2.18 0.50 0.52 0.00 0.00 175.17 178.64 2jtg h LYS 16 N 4.01 0.00 0.00 4.34 3.11 -2.00 -2.84 116.57 123.18 2jtg h LYS 16 Ca -0.50 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.33 2jtg h LYS 16 Cb 1.16 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.39 2jtg h LYS 16 CO 0.44 0.01 -0.10 -0.44 -2.81 0.00 0.00 179.45 176.55 2jtg h ASP 17 N 0.00 0.00 -2.87 4.20 5.19 -1.96 -3.44 116.42 117.54 2jtg h ASP 17 Ca -0.00 -0.69 -0.57 0.00 -0.62 0.00 0.00 57.03 55.15 2jtg h ASP 17 Cb 0.02 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 2jtg h ASP 17 CO 0.00 0.90 1.14 -0.75 -3.12 0.00 0.00 179.24 177.41 2jtg s LYS 18 N -2.06 3.66 0.00 3.56 2.47 -1.07 -4.87 119.74 121.43 2jtg s LYS 18 Ca -0.15 1.44 0.00 0.00 -1.56 0.00 0.00 55.97 55.70 2jtg s LYS 18 Cb -0.02 -4.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 2jtg s LYS 18 CO 0.50 -1.45 0.46 -0.35 0.16 0.00 0.00 175.35 174.66 2jtg n PRO 19 N 7.88 0.54 -2.62 4.03 -0.04 -1.26 -4.16 135.00 139.37 2jtg n PRO 19 Ca 0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 2jtg n PRO 19 Cb 0.46 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.02 4.18 0.80 0.52 0.11 -1.26 -4.96 120.40 119.78 2jtg s VAL 20 Ca 0.00 -1.76 -0.11 0.00 -2.93 0.00 0.00 61.98 57.18 2jtg s VAL 20 Cb 0.00 -5.14 0.07 0.00 -1.53 0.00 0.00 36.38 29.79 2jtg s VAL 20 CO 0.00 -1.96 1.09 -0.94 -3.33 0.00 0.00 175.10 169.96 2jtg s SER 21 N 4.23 4.35 0.05 3.54 1.04 -1.26 -4.65 113.70 121.01 2jtg s SER 21 Ca 0.51 1.49 0.08 0.00 0.48 0.00 0.00 55.95 58.51 2jtg s SER 21 Cb 0.02 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 2jtg s SER 21 CO 0.03 -2.08 -0.23 -0.36 0.98 0.00 0.00 173.24 171.58 2jtg s PHE 22 N -3.04 1.99 -0.06 5.02 0.40 -1.26 -1.22 117.98 119.81 2jtg s PHE 22 Ca 0.61 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.55 2jtg s PHE 22 Cb -0.16 -1.17 0.03 0.00 0.51 0.00 0.00 43.02 42.22 2jtg s PHE 22 CO 0.55 0.13 -0.02 -1.01 0.70 0.00 0.00 175.22 175.57 2jtg s HIS 23 N -0.85 0.71 0.69 0.36 3.76 0.97 -4.96 115.29 115.97 2jtg s HIS 23 Ca 0.09 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 2jtg s HIS 23 Cb -0.09 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.87 2jtg s HIS 23 CO 0.02 -0.27 1.09 0.15 -0.85 0.00 0.00 174.74 174.89 2jtg s LYS 24 N 1.45 2.72 0.15 1.40 1.02 -1.26 0.14 119.74 125.36 2jtg s LYS 24 Ca -0.03 1.27 -0.34 0.00 0.02 0.00 0.00 55.97 56.90 2jtg s LYS 24 Cb -0.13 -1.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.10 2jtg s LYS 24 CO -0.03 -1.30 1.63 1.19 -0.92 0.00 0.00 175.35 175.92 2jtg n PHE 25 N -2.74 2.36 -2.78 3.18 3.01 -0.39 -4.77 117.46 115.34 2jtg n PHE 25 Ca 0.10 0.20 -0.27 0.00 1.01 0.00 0.00 57.45 58.48 2jtg n PHE 25 Cb 0.52 -2.58 -0.01 0.00 -0.01 0.00 0.00 39.48 37.41 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 1.21 3.57 -0.08 -1.08 0.04 -1.26 -4.97 135.00 132.42 2jtg s PRO 26 Ca 0.79 0.16 0.08 0.00 0.04 0.00 0.00 61.00 62.07 2jtg s PRO 26 Cb -0.65 -2.43 -0.11 0.00 0.04 0.00 0.00 34.50 31.36 2jtg s PRO 26 CO 0.38 -0.12 0.04 1.47 0.04 0.00 0.00 177.00 178.81 2jtg n LEU 27 N -2.03 0.00 0.22 -3.56 -0.00 -1.26 -4.52 117.00 105.85 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 0.55 0.20 0.50 0.00 -0.00 0.00 0.00 43.42 44.68 2jtg n LEU 27 CO 0.52 0.20 0.86 0.71 -0.00 0.00 0.00 177.39 179.68 2jtg h THR 28 N 0.00 1.04 -3.52 1.47 1.35 -2.00 -3.35 112.91 107.91 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 1.47 1.46 -0.31 0.00 -1.73 0.00 0.00 68.15 69.05 2jtg h THR 28 CO 0.01 0.23 -0.27 -0.60 -0.25 0.00 0.00 175.52 174.64 2jtg s ARG 29 N -4.37 2.76 0.00 4.72 3.00 -1.26 -4.96 118.95 118.83 2jtg s ARG 29 Ca -0.03 -2.22 0.00 0.00 -1.00 0.00 0.00 55.73 52.48 2jtg s ARG 29 Cb 0.15 -3.96 0.00 0.00 0.00 0.00 0.00 34.95 31.13 2jtg s ARG 29 CO 0.68 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.42 2jtg n PRO 30 N 4.15 0.00 -0.08 5.12 -0.04 -1.26 -3.16 135.00 139.73 2jtg n PRO 30 Ca 0.03 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2jtg n PRO 30 Cb 0.41 -0.62 -0.00 0.00 -0.04 0.00 0.00 33.50 33.25 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 -0.64 -0.59 3.54 4.64 -1.95 0.67 113.55 119.22 2jtg h SER 31 Ca 0.00 0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2jtg h SER 31 Cb 0.00 0.33 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 2jtg h SER 31 CO 0.00 -0.23 0.39 0.25 -0.87 0.00 0.00 176.83 176.37 2jtg h LEU 32 N -0.16 0.55 -1.77 5.97 5.85 -1.98 -0.72 115.31 123.05 2jtg h LEU 32 Ca 0.16 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.12 2jtg h LEU 32 Cb 0.40 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2jtg h LEU 32 CO -0.41 0.37 0.63 0.00 -0.34 0.00 0.00 178.44 178.70 2jtg h LYS 34 N 0.18 0.53 -0.99 0.00 3.64 -0.65 0.81 116.57 120.09 2jtg h LYS 34 Ca 0.46 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.87 2jtg h LYS 34 Cb 1.52 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.15 2jtg h LYS 34 CO -0.09 0.35 0.65 0.93 -2.27 0.00 0.00 179.45 179.01 2jtg h GLU 35 N 0.55 1.15 -0.26 1.90 5.08 0.08 0.77 114.58 123.86 2jtg h GLU 35 Ca 0.49 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.81 2jtg h GLU 35 Cb 1.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2jtg h GLU 35 CO -0.23 0.76 0.17 -1.49 -1.00 0.00 0.00 179.01 177.23 2jtg h TRP 36 N 1.19 0.22 -0.83 4.33 4.06 0.61 0.17 115.95 125.70 2jtg h TRP 36 Ca 0.42 0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.44 2jtg h TRP 36 Cb 0.12 -0.07 -0.05 0.00 -1.00 0.00 0.00 29.16 28.15 2jtg h TRP 36 CO -0.00 0.13 0.54 0.93 -3.56 0.00 0.00 178.44 176.48 2jtg h GLU 37 N 0.23 0.86 -0.30 0.49 5.08 -0.56 0.30 114.58 120.68 2jtg h GLU 37 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2jtg h GLU 37 Cb 0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2jtg h GLU 37 CO -0.02 0.57 0.12 0.00 -1.00 0.00 0.00 179.01 178.68 2jtg h ALA 38 N 1.56 1.65 -0.53 3.43 0.00 -0.63 -0.12 119.26 124.61 2jtg h ALA 38 Ca 0.36 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.34 2jtg h ALA 38 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jtg h ALA 38 CO -0.13 0.28 0.49 0.00 0.00 0.00 0.00 179.25 179.89 2jtg h ALA 39 N 1.72 2.31 0.00 0.00 0.00 -0.26 -3.08 119.26 119.94 2jtg h ALA 39 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 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 -0.01 -0.77 -0.19 0.28 0.00 0.00 0.00 179.25 178.57 2jtg n VAL 40 N -3.87 0.36 -0.92 0.00 0.31 -0.13 -4.32 118.33 109.75 2jtg n VAL 40 Ca 0.10 0.42 -0.05 0.00 -0.01 0.00 0.00 64.34 64.80 2jtg n VAL 40 Cb 0.70 -1.71 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 -2.91 -1.61 0.00 5.55 3.00 -0.74 -4.51 116.66 115.45 2jtg n ARG 41 Ca -0.03 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 2jtg n ARG 41 Cb 0.10 -4.31 0.00 0.00 0.00 0.00 0.00 32.46 28.24 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 -0.63 0.00 -1.93 -0.14 5.12 -1.26 -5.10 116.66 112.72 2jtg n ARG 42 Ca -0.05 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.54 2jtg n ARG 42 Cb 0.30 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.63 2jtg n ARG 42 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2jtg s LYS 43 N 0.18 3.08 -0.72 5.56 -0.14 -1.26 -4.87 119.74 121.57 2jtg s LYS 43 Ca 0.00 1.32 -0.21 0.00 -1.36 0.00 0.00 55.97 55.71 2jtg s LYS 43 Cb 0.00 -1.99 -0.16 0.00 -1.68 0.00 0.00 37.83 33.99 2jtg s LYS 43 CO 0.00 -1.01 1.91 0.09 -0.76 0.00 0.00 175.35 175.57 2jtg n ASN 44 N -2.16 2.55 -0.17 2.83 4.13 -1.26 -4.81 115.26 116.37 2jtg n ASN 44 Ca 0.10 -2.63 -0.00 0.00 1.68 0.00 0.00 54.58 53.72 2jtg n ASN 44 Cb 0.52 -1.06 -0.00 0.00 -1.54 0.00 0.00 39.78 37.70 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 7.32 0.00 -2.51 3.10 -1.74 -1.26 -4.77 117.46 117.61 2jtg n PHE 45 Ca 0.49 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.95 2jtg n PHE 45 Cb 0.38 -0.02 -0.02 0.00 1.52 0.00 0.00 39.48 41.34 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 0.23 3.60 0.00 3.97 2.47 -1.26 -4.86 119.74 123.89 2jtg s LYS 46 Ca 0.02 0.60 0.00 0.00 -1.56 0.00 0.00 55.97 55.03 2jtg s LYS 46 Cb -0.01 -3.98 0.00 0.00 -1.46 0.00 0.00 37.83 32.38 2jtg s LYS 46 CO 0.01 -1.54 0.57 -2.30 0.16 0.00 0.00 175.35 172.25 2jtg n PRO 47 N 8.10 0.00 0.26 4.03 -0.02 -1.26 -1.28 135.00 144.82 2jtg n PRO 47 Ca 0.13 0.13 -0.16 0.00 -2.02 0.00 0.00 63.50 61.58 2jtg n PRO 47 Cb 0.49 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 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 0.54 0.00 3.45 1.03 -1.97 -3.33 112.91 112.64 2jtg h THR 48 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 66.28 2jtg h THR 48 Cb 0.05 0.60 0.00 0.00 -1.07 0.00 0.00 68.15 67.73 2jtg h THR 48 CO 0.00 0.02 -0.46 0.29 -0.01 0.00 0.00 175.52 175.36 2jtg n LYS 49 N -5.33 2.88 0.21 0.00 5.02 -1.15 -4.76 118.16 115.02 2jtg n LYS 49 Ca -0.11 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.30 2jtg n LYS 49 Cb 0.27 -0.73 0.18 0.00 -0.02 0.00 0.00 35.03 34.73 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 -1.42 -3.42 116.97 114.31 2jtg h TYR 50 Ca 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 2jtg h TYR 50 Cb 0.12 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.90 2jtg h TYR 50 CO 0.00 0.00 0.75 -1.13 -1.05 0.00 0.00 178.16 176.73 2jtg n SER 51 N -3.03 -0.03 -3.61 3.88 3.41 -1.19 -4.23 113.62 108.81 2jtg n SER 51 Ca 0.04 -1.37 -0.04 0.00 -0.26 0.00 0.00 58.87 57.24 2jtg n SER 51 Cb 0.53 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 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 4.18 -0.12 0.12 4.04 1.04 -1.26 -1.26 113.70 120.44 2jtg s SER 52 Ca 0.21 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.76 2jtg s SER 52 Cb 0.05 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2jtg s SER 52 CO 0.11 -0.15 -0.12 -0.63 0.98 0.00 0.00 173.24 173.42 2jtg s ILE 53 N -1.70 1.19 0.18 -1.02 -1.09 0.36 -1.85 121.20 117.27 2jtg s ILE 53 Ca 0.08 -1.76 0.07 0.00 -2.23 0.00 0.00 60.65 56.81 2jtg s ILE 53 Cb -0.01 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 2jtg s ILE 53 CO -0.05 -0.52 0.05 0.00 -1.23 0.00 0.00 174.94 173.19 2jtg h SER 55 N 2.52 0.54 -1.16 0.00 0.02 -1.45 -2.81 113.55 111.20 2jtg h SER 55 Ca -0.47 0.04 0.34 0.00 -0.84 0.00 0.00 61.79 60.85 2jtg h SER 55 Cb 1.21 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 2jtg h SER 55 CO 0.60 0.26 1.14 -0.33 -1.14 0.00 0.00 176.83 177.36 2jtg h GLU 56 N 0.57 0.00 -0.01 3.45 5.08 -1.94 0.94 114.58 122.66 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 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2jtg h GLU 56 CO -0.18 0.00 -0.43 0.72 -1.00 0.00 0.00 179.01 178.12 2jtg n HIS 57 N -3.51 0.00 -3.50 4.33 8.25 -1.06 -4.98 115.22 114.75 2jtg n HIS 57 Ca 0.26 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.51 2jtg n HIS 57 Cb 1.50 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.61 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 -2.12 3.31 0.13 4.41 0.08 0.32 -3.43 117.98 120.69 2jtg s PHE 58 Ca 0.14 0.04 -0.17 0.00 0.12 0.00 0.00 56.93 57.06 2jtg s PHE 58 Cb 0.14 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 2jtg s PHE 58 CO 0.48 0.08 0.58 0.95 -0.10 0.00 0.00 175.22 177.20 2jtg s THR 59 N -2.22 4.78 0.32 0.64 -4.23 -1.25 -4.98 115.64 108.70 2jtg s THR 59 Ca 0.41 1.02 0.07 0.00 -1.18 0.00 0.00 61.69 62.02 2jtg s THR 59 Cb -0.09 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.25 2jtg s THR 59 CO 0.33 0.35 1.79 -0.65 -0.54 0.00 0.00 174.62 175.90 2jtg h PRO 60 N 3.88 0.72 0.00 3.99 0.11 -1.98 0.14 132.00 138.85 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 0.47 -0.16 0.22 -0.21 0.00 0.00 178.00 178.97 2jtg h ASP 61 N 0.74 0.00 0.35 -2.05 3.58 -2.03 -2.31 116.42 114.70 2jtg h ASP 61 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 2jtg h ASP 61 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2jtg h ASP 61 CO -0.34 0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.18 2jtg n PHE 63 N -1.31 2.67 0.05 0.00 3.72 -0.87 -4.49 117.46 117.23 2jtg n PHE 63 Ca 0.07 -2.54 -0.03 0.00 -0.05 0.00 0.00 57.45 54.91 2jtg n PHE 63 Cb 0.14 -1.29 -0.01 0.00 -0.94 0.00 0.00 39.48 37.38 2jtg n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2jtg h LYS 64 N 2.26 -0.14 -6.36 -1.08 1.57 -1.80 -3.43 116.57 107.58 2jtg h LYS 64 Ca 0.52 0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 58.68 2jtg h LYS 64 Cb 0.63 0.03 0.10 0.00 0.08 0.00 0.00 32.23 33.07 2jtg h LYS 64 CO 1.32 -0.09 0.05 0.54 -0.57 0.00 0.00 179.45 180.70 2jtg n ARG 65 N -2.62 1.08 -3.19 3.15 3.00 -1.26 -4.91 116.66 111.90 2jtg n ARG 65 Ca -0.02 0.38 -0.34 0.00 -0.01 0.00 0.00 57.85 57.86 2jtg n ARG 65 Cb 0.06 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.77 2jtg n ARG 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jtg n GLU 66 N 0.98 3.49 -4.02 5.56 4.07 -1.26 -4.92 120.64 124.53 2jtg n GLU 66 Ca 0.12 -4.64 -0.10 0.00 -0.06 0.00 0.00 57.16 52.48 2jtg n GLU 66 Cb 0.29 -2.37 -0.08 0.00 -0.06 0.00 0.00 31.44 29.22 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jtg h ASN 68 N 2.65 0.00 0.00 0.00 -0.00 -2.04 -3.41 115.58 112.78 2jtg h ASN 68 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.97 2jtg h ASN 68 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2jtg h ASN 68 CO 0.52 0.53 0.00 0.59 -0.00 0.00 0.00 177.43 179.07 2jtg n ASN 69 N -2.91 0.00 -3.65 1.15 3.02 -1.26 -4.84 115.26 106.78 2jtg n ASN 69 Ca -0.08 0.56 -0.07 0.00 -0.03 0.00 0.00 54.58 54.96 2jtg n ASN 69 Cb 0.81 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.85 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2jtg s LYS 70 N -1.25 0.65 -0.42 3.52 2.47 -1.26 -5.02 119.74 118.44 2jtg s LYS 70 Ca 0.00 1.18 0.03 0.00 -1.56 0.00 0.00 55.97 55.62 2jtg s LYS 70 Cb 0.00 0.17 0.12 0.00 -1.46 0.00 0.00 37.83 36.66 2jtg s LYS 70 CO 0.00 -0.16 0.18 -0.51 0.16 0.00 0.00 175.35 175.02 2jtg s LEU 71 N 1.70 3.60 -0.37 5.43 1.43 -1.26 -4.92 118.68 124.28 2jtg s LEU 71 Ca -0.10 -2.47 0.05 0.00 -1.03 0.00 0.00 54.13 50.58 2jtg s LEU 71 Cb -0.06 -1.33 0.32 0.00 0.03 0.00 0.00 46.19 45.15 2jtg s LEU 71 CO -0.19 -0.31 1.29 0.00 0.23 0.00 0.00 176.35 177.37 2jtg n LEU 72 N 3.80 -1.63 0.00 1.79 -0.00 -1.26 -4.83 117.00 114.86 2jtg n LEU 72 Ca 0.05 -2.49 -0.19 0.00 -0.00 0.00 0.00 56.01 53.38 2jtg n LEU 72 Cb 0.37 0.95 0.17 0.00 -0.00 0.00 0.00 43.42 44.90 2jtg n LEU 72 CO 0.25 1.76 0.34 0.29 -0.00 0.00 0.00 177.39 180.02 2jtg n LYS 73 N 0.53 -2.77 -0.39 1.47 4.76 -1.26 -4.53 118.16 115.97 2jtg n LYS 73 Ca -0.01 -1.05 0.38 0.00 -2.87 0.00 0.00 58.31 54.76 2jtg n LYS 73 Cb 0.73 -1.08 0.71 0.00 -1.84 0.00 0.00 35.03 33.55 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 4.57 -1.99 1.05 114.58 119.87 2jtg h GLU 74 Ca -0.26 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.82 2jtg h GLU 74 Cb 0.80 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2jtg h GLU 74 CO 0.16 0.00 -0.23 -0.91 -1.18 0.00 0.00 179.01 176.86 2jtg h ASN 75 N 0.00 0.73 -0.92 1.04 2.35 -1.95 -3.46 115.58 113.38 2jtg h ASN 75 Ca 0.64 -0.44 -0.62 0.00 -0.55 0.00 0.00 56.30 55.32 2jtg h ASN 75 Cb 2.82 -0.20 0.10 0.00 0.05 0.00 0.00 38.32 41.08 2jtg h ASN 75 CO -0.01 1.02 -0.44 0.00 -1.65 0.00 0.00 177.43 176.35 2jtg n ALA 76 N -2.48 -2.78 -3.64 -0.83 0.00 0.36 -4.97 120.51 106.17 2jtg n ALA 76 Ca -0.03 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.77 2jtg n ALA 76 Cb 0.43 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 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 -0.84 0.00 -0.20 0.00 1.01 -1.26 -4.93 120.40 114.17 2jtg s VAL 77 Ca 0.61 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2jtg s VAL 77 Cb -0.88 -1.00 0.21 0.00 0.00 0.00 0.00 36.38 34.71 2jtg s VAL 77 CO 0.51 0.00 1.63 -0.81 0.00 0.00 0.00 175.10 176.43 2jtg n PRO 78 N 2.06 1.54 0.00 2.72 -0.04 -1.26 -3.96 135.00 136.05 2jtg n PRO 78 Ca -0.12 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 2jtg n PRO 78 Cb 0.56 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.19 0.00 -0.66 0.52 -1.04 -1.22 -0.26 114.28 111.80 2jtg n THR 79 Ca 0.23 0.00 0.51 0.00 -2.04 0.00 0.00 64.05 62.75 2jtg n THR 79 Cb 0.78 0.00 0.80 0.00 -1.82 0.00 0.00 70.33 70.09 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 -1.87 0.16 117.51 130.43 2jtg h ILE 80 Ca 0.00 -0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 2jtg h ILE 80 Cb 0.00 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.05 2jtg h ILE 80 CO 0.00 0.00 -1.86 0.49 0.00 0.00 0.00 178.15 176.78 2jtg n PHE 81 N -4.08 0.00 -1.67 1.37 3.01 0.63 -4.81 117.46 111.92 2jtg n PHE 81 Ca 0.43 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.61 2jtg n PHE 81 Cb 1.93 -0.62 -0.08 0.00 -0.01 0.00 0.00 39.48 40.70 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 -2.47 2.58 -0.04 4.37 7.94 0.56 -4.64 117.00 125.30 2jtg n LEU 82 Ca -0.20 -2.81 -0.15 0.00 -1.11 0.00 0.00 56.01 51.74 2jtg n LEU 82 Cb 0.91 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 43.20 2jtg n LEU 82 CO 0.27 -2.13 0.42 -0.08 -1.11 0.00 0.00 177.39 174.75 2jtg h GLU 83 N 9.99 0.10 -5.38 1.96 4.57 -1.88 -3.40 114.58 120.54 2jtg h GLU 83 Ca 0.19 -0.11 -0.24 0.00 -1.18 0.00 0.00 59.36 58.02 2jtg h GLU 83 Cb 0.89 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 2jtg h GLU 83 CO 1.34 0.89 0.76 -1.17 -1.18 0.00 0.00 179.01 179.66 2jtg s LEU 84 N -8.51 2.86 -0.63 1.64 0.20 -1.26 -4.82 118.68 108.16 2jtg s LEU 84 Ca -0.17 -1.40 0.03 0.00 0.69 0.00 0.00 54.13 53.29 2jtg s LEU 84 Cb -0.00 -2.59 0.16 0.00 -0.43 0.00 0.00 46.19 43.32 2jtg s LEU 84 CO 0.72 -3.54 0.41 -0.69 -0.29 0.00 0.00 176.35 172.96 2jtg s VAL 85 N 12.69 2.96 -1.00 1.68 1.01 -1.26 -5.03 120.40 131.45 2jtg s VAL 85 Ca 0.72 -3.72 -0.26 0.00 0.00 0.00 0.00 61.98 58.73 2jtg s VAL 85 Cb -0.02 -2.97 -0.22 0.00 0.00 0.00 0.00 36.38 33.16 2jtg s VAL 85 CO 0.14 -0.91 2.12 -2.65 0.00 0.00 0.00 175.10 173.80 2jtg n PRO 86 N 2.63 0.16 0.00 2.72 -0.02 -1.26 -5.26 135.00 133.96 2jtg n PRO 86 Ca 0.12 -1.51 0.00 0.00 -2.02 0.00 0.00 63.50 60.10 2jtg n PRO 86 Cb 0.34 -3.79 0.00 0.00 -0.02 0.00 0.00 33.50 30.03 2jtg n PRO 86 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37