#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 2.03 3.14 -1.26 -4.99 118.33 115.38 2jtg n VAL 2 Ca 0.00 -1.80 -0.05 0.00 -2.96 0.00 0.00 64.34 59.53 2jtg n VAL 2 Cb 0.00 -0.05 -0.07 0.00 -1.06 0.00 0.00 33.84 32.66 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2jtg s GLN 3 N -2.36 0.20 0.47 1.45 2.00 -1.26 -4.69 119.66 115.47 2jtg s GLN 3 Ca 0.29 0.24 0.03 0.00 -2.00 0.00 0.00 55.36 53.92 2jtg s GLN 3 Cb 0.24 0.09 0.01 0.00 0.80 0.00 0.00 33.01 34.16 2jtg s GLN 3 CO 0.06 -0.02 0.67 -1.54 -0.50 0.00 0.00 175.29 173.95 2jtg s SER 4 N 0.12 5.58 0.29 6.67 1.04 -1.26 -4.54 113.70 121.60 2jtg s SER 4 Ca 0.06 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.47 2jtg s SER 4 Cb -0.05 -1.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 2jtg s SER 4 CO -0.13 -0.86 0.14 0.00 0.98 0.00 0.00 173.24 173.37 2jtg h SER 6 N 2.28 0.47 -1.71 0.00 0.87 -1.79 -3.45 113.55 110.22 2jtg h SER 6 Ca -0.35 -0.40 -0.65 0.00 -1.23 0.00 0.00 61.79 59.17 2jtg h SER 6 Cb 1.25 -0.13 0.10 0.00 -0.44 0.00 0.00 62.40 63.18 2jtg h SER 6 CO 0.54 0.76 -0.14 0.00 -0.53 0.00 0.00 176.83 177.47 2jtg n ALA 7 N -2.40 -1.59 -2.24 6.23 0.00 -1.26 -4.60 120.51 114.65 2jtg n ALA 7 Ca -0.04 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.41 2jtg n ALA 7 Cb 0.32 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 17.91 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 -0.87 3.10 -1.24 0.00 6.14 -1.26 -3.63 117.35 119.58 2jtg s TYR 8 Ca 0.64 0.95 -0.21 0.00 0.64 0.00 0.00 57.07 59.09 2jtg s TYR 8 Cb -0.85 -3.63 0.01 0.00 0.42 0.00 0.00 41.96 37.92 2jtg s TYR 8 CO 0.57 -2.22 0.63 0.41 0.64 0.00 0.00 175.55 175.58 2jtg n GLY 9 N 3.52 -0.74 3.88 8.97 0.00 -1.26 -4.94 105.19 114.61 2jtg n GLY 9 Ca 0.12 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.85 4.11 -0.67 0.00 3.00 -1.26 -5.01 118.16 115.48 2jtg n LYS 11 Ca 0.06 -3.04 -0.30 0.00 -0.00 0.00 0.00 58.31 55.03 2jtg n LYS 11 Cb 0.56 -2.10 0.18 0.00 0.00 0.00 0.00 35.03 33.67 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 -1.25 2.52 -0.30 3.14 4.22 -1.26 -4.96 114.94 117.05 2jtg s ASN 12 Ca 0.50 2.05 -0.08 0.00 -2.14 0.00 0.00 52.86 53.19 2jtg s ASN 12 Cb 0.39 -2.52 0.17 0.00 1.28 0.00 0.00 41.25 40.57 2jtg s ASN 12 CO 0.13 -3.33 0.81 0.00 -2.04 0.00 0.00 177.10 172.67 2jtg s ARG 13 N -4.61 0.40 -1.22 3.55 1.70 -1.26 -4.39 118.95 113.12 2jtg s ARG 13 Ca 0.67 0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 56.53 2jtg s ARG 13 Cb -0.23 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2jtg s ARG 13 CO 0.59 -0.35 1.76 -0.47 -1.08 0.00 0.00 175.30 175.76 2jtg s TYR 14 N 2.83 2.49 0.12 5.89 6.14 -1.26 -4.64 117.35 128.92 2jtg s TYR 14 Ca 0.07 -0.89 0.09 0.00 0.64 0.00 0.00 57.07 56.98 2jtg s TYR 14 Cb -0.12 -4.52 -0.04 0.00 0.42 0.00 0.00 41.96 37.70 2jtg s TYR 14 CO -0.17 -1.66 -0.21 0.34 0.64 0.00 0.00 175.55 174.48 2jtg s ASP 15 N 5.09 2.68 0.51 4.32 2.15 -1.26 -4.80 116.67 125.36 2jtg s ASP 15 Ca 0.57 -0.73 0.16 0.00 0.43 0.00 0.00 52.55 52.99 2jtg s ASP 15 Cb 0.02 -0.15 1.26 0.00 -0.30 0.00 0.00 42.92 43.74 2jtg s ASP 15 CO 0.07 0.06 2.13 0.50 -0.17 0.00 0.00 175.17 177.76 2jtg h LYS 16 N 3.87 0.00 0.03 4.34 1.63 -1.99 -2.67 116.57 121.78 2jtg h LYS 16 Ca -0.46 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2jtg h LYS 16 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2jtg h LYS 16 CO 0.42 0.03 -0.02 -0.44 -3.45 0.00 0.00 179.45 175.99 2jtg h ASP 17 N 0.00 -0.04 -2.94 4.20 3.32 -1.96 -3.43 116.42 115.57 2jtg h ASP 17 Ca -0.00 -0.66 -0.57 0.00 0.02 0.00 0.00 57.03 55.82 2jtg h ASP 17 Cb 0.05 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2jtg h ASP 17 CO 0.00 0.74 1.17 -0.75 -1.72 0.00 0.00 179.24 178.68 2jtg s LYS 18 N -2.60 3.50 0.00 3.56 2.47 -1.01 -4.87 119.74 120.80 2jtg s LYS 18 Ca -0.14 1.25 0.00 0.00 -1.56 0.00 0.00 55.97 55.52 2jtg s LYS 18 Cb -0.01 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 2jtg s LYS 18 CO 0.54 -1.65 0.68 -0.35 0.16 0.00 0.00 175.35 174.73 2jtg n PRO 19 N 8.17 0.63 -2.93 4.03 -0.04 -1.26 -4.09 135.00 139.50 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 0.47 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.41 4.60 0.43 0.52 0.11 -1.26 -5.02 120.40 120.19 2jtg s VAL 20 Ca 0.00 0.48 0.01 0.00 -2.93 0.00 0.00 61.98 59.54 2jtg s VAL 20 Cb 0.00 -4.36 -0.00 0.00 -1.53 0.00 0.00 36.38 30.49 2jtg s VAL 20 CO 0.00 -0.77 0.64 -0.94 -3.33 0.00 0.00 175.10 170.71 2jtg s SER 21 N 2.21 5.85 0.12 3.54 1.04 -1.26 -4.68 113.70 120.51 2jtg s SER 21 Ca 0.31 0.22 0.10 0.00 0.48 0.00 0.00 55.95 57.06 2jtg s SER 21 Cb -0.12 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 2jtg s SER 21 CO 0.23 -0.67 -0.24 -0.36 0.98 0.00 0.00 173.24 173.18 2jtg s PHE 22 N -2.50 2.10 0.09 5.02 0.40 -1.26 -1.63 117.98 120.19 2jtg s PHE 22 Ca 0.48 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.45 2jtg s PHE 22 Cb -0.10 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 2jtg s PHE 22 CO 0.37 0.28 -0.09 -1.01 0.70 0.00 0.00 175.22 175.46 2jtg s HIS 23 N -1.09 1.01 0.13 0.36 3.76 0.92 -4.96 115.29 115.42 2jtg s HIS 23 Ca 0.11 -0.68 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 2jtg s HIS 23 Cb -0.10 -0.56 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 2jtg s HIS 23 CO 0.05 -0.02 0.22 0.15 -0.85 0.00 0.00 174.74 174.29 2jtg s LYS 24 N -2.84 3.27 0.16 1.40 3.01 -1.26 0.12 119.74 123.60 2jtg s LYS 24 Ca 0.05 -0.64 -0.32 0.00 -1.01 0.00 0.00 55.97 54.05 2jtg s LYS 24 Cb -0.02 -2.89 -0.12 0.00 -1.01 0.00 0.00 37.83 33.79 2jtg s LYS 24 CO -0.01 0.53 1.73 1.19 0.51 0.00 0.00 175.35 179.31 2jtg n PHE 25 N -0.27 2.59 -3.23 3.18 3.01 -0.71 -4.76 117.46 117.27 2jtg n PHE 25 Ca -0.07 0.04 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 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 1.66 3.66 -0.10 -1.08 0.04 -1.26 -4.94 135.00 132.97 2jtg s PRO 26 Ca 0.79 0.10 0.10 0.00 0.04 0.00 0.00 61.00 62.03 2jtg s PRO 26 Cb -0.55 -2.59 -0.14 0.00 0.04 0.00 0.00 34.50 31.26 2jtg s PRO 26 CO 0.36 0.15 0.06 1.47 0.04 0.00 0.00 177.00 179.08 2jtg n LEU 27 N -1.04 0.00 0.23 -3.56 -0.00 -1.26 -4.47 117.00 106.90 2jtg n LEU 27 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 2jtg n LEU 27 Cb 0.54 0.25 0.57 0.00 -0.00 0.00 0.00 43.42 44.78 2jtg n LEU 27 CO 0.48 0.25 0.92 0.71 -0.00 0.00 0.00 177.39 179.75 2jtg h THR 28 N 0.00 0.97 -3.44 1.47 1.35 -1.97 -3.34 112.91 107.95 2jtg h THR 28 Ca -0.28 -0.61 -0.74 0.00 -0.55 0.00 0.00 66.41 64.23 2jtg h THR 28 Cb 1.60 1.34 -0.29 0.00 -1.73 0.00 0.00 68.15 69.07 2jtg h THR 28 CO 0.02 0.17 -0.24 -0.60 -0.25 0.00 0.00 175.52 174.61 2jtg s ARG 29 N -4.51 2.84 0.00 4.72 3.00 -1.26 -4.96 118.95 118.77 2jtg s ARG 29 Ca -0.04 -2.07 0.00 0.00 -1.00 0.00 0.00 55.73 52.63 2jtg s ARG 29 Cb 0.15 -4.07 0.00 0.00 0.00 0.00 0.00 34.95 31.03 2jtg s ARG 29 CO 0.66 -1.23 0.00 -0.35 0.00 0.00 0.00 175.30 174.38 2jtg n PRO 30 N 4.47 0.00 -0.05 5.12 -0.04 -1.26 -3.25 135.00 139.99 2jtg n PRO 30 Ca -0.01 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 2jtg n PRO 30 Cb 0.42 -0.59 -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 -0.55 -0.53 3.54 4.64 -1.95 0.55 113.55 119.25 2jtg h SER 31 Ca 0.00 0.11 0.05 0.00 -0.47 0.00 0.00 61.79 61.49 2jtg h SER 31 Cb 0.00 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 2jtg h SER 31 CO 0.00 -0.21 0.35 0.25 -0.87 0.00 0.00 176.83 176.36 2jtg h LEU 32 N -0.16 0.45 -1.84 5.97 5.85 -1.97 -0.57 115.31 123.04 2jtg h LEU 32 Ca 0.14 -0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.06 2jtg h LEU 32 Cb 0.36 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2jtg h LEU 32 CO -0.34 0.29 0.55 0.00 -0.34 0.00 0.00 178.44 178.60 2jtg h LYS 34 N 0.14 0.56 -1.00 0.00 3.64 -0.65 0.83 116.57 120.08 2jtg h LYS 34 Ca 0.38 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.81 2jtg h LYS 34 Cb 1.30 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 2jtg h LYS 34 CO -0.06 0.37 0.64 0.93 -2.27 0.00 0.00 179.45 179.07 2jtg h GLU 35 N 0.58 1.10 -0.64 1.90 5.08 -0.29 0.18 114.58 122.48 2jtg h GLU 35 Ca 0.48 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.81 2jtg h GLU 35 Cb 0.96 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2jtg h GLU 35 CO -0.23 0.73 0.42 -1.49 -1.00 0.00 0.00 179.01 177.44 2jtg h TRP 36 N 1.13 0.73 -0.69 4.33 4.06 0.62 0.40 115.95 126.53 2jtg h TRP 36 Ca 0.45 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.45 2jtg h TRP 36 Cb 0.25 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 2jtg h TRP 36 CO -0.00 0.43 0.46 0.93 -3.56 0.00 0.00 178.44 176.69 2jtg h GLU 37 N 0.76 0.80 -0.34 0.49 5.08 -0.31 0.24 114.58 121.30 2jtg h GLU 37 Ca 0.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2jtg h GLU 37 Cb 0.07 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2jtg h GLU 37 CO -0.07 0.53 0.12 0.00 -1.00 0.00 0.00 179.01 178.59 2jtg h ALA 38 N 1.60 1.58 -0.40 3.43 0.00 0.11 0.48 119.26 126.05 2jtg h ALA 38 Ca 0.28 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2jtg h ALA 38 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jtg h ALA 38 CO -0.08 0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.90 2jtg h ALA 39 N 1.66 2.14 0.00 0.00 0.00 0.13 -3.09 119.26 120.10 2jtg h ALA 39 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jtg h ALA 39 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jtg h ALA 39 CO -0.01 -0.61 -0.66 0.28 0.00 0.00 0.00 179.25 178.25 2jtg n VAL 40 N -3.84 1.08 0.00 0.00 0.31 -0.03 -4.57 118.33 111.27 2jtg n VAL 40 Ca 0.07 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2jtg n VAL 40 Cb 0.58 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 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 -3.93 0.00 -4.14 5.55 3.00 -0.11 -4.74 116.66 112.29 2jtg n ARG 41 Ca -0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.53 2jtg n ARG 41 Cb 0.34 -1.04 -0.06 0.00 0.00 0.00 0.00 32.46 31.70 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 -2.00 0.65 -2.64 -0.14 5.12 -1.26 -5.06 116.66 111.33 2jtg n ARG 42 Ca 0.00 -3.07 -0.43 0.00 -1.93 0.00 0.00 57.85 52.42 2jtg n ARG 42 Cb 0.00 1.57 0.00 0.00 -1.16 0.00 0.00 32.46 32.87 2jtg n ARG 42 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2jtg n LYS 43 N -0.84 3.42 0.00 5.56 5.02 -1.26 -4.63 118.16 125.43 2jtg n LYS 43 Ca -0.07 -3.63 0.00 0.00 -2.02 0.00 0.00 58.31 52.60 2jtg n LYS 43 Cb 0.54 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 2jtg n LYS 43 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jtg n ASN 44 N 5.25 0.00 0.00 4.39 5.15 -1.26 -5.04 115.26 123.76 2jtg n ASN 44 Ca 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2jtg n ASN 44 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 2jtg n PHE 45 N -0.10 0.00 -3.27 1.20 -1.74 -1.26 -4.81 117.46 107.48 2jtg n PHE 45 Ca 0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.43 2jtg n PHE 45 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 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 0.00 3.04 0.06 3.97 2.47 -1.26 -4.90 119.74 123.11 2jtg s LYS 46 Ca 0.00 -1.68 0.03 0.00 -1.56 0.00 0.00 55.97 52.76 2jtg s LYS 46 Cb 0.00 -4.30 0.15 0.00 -1.46 0.00 0.00 37.83 32.22 2jtg s LYS 46 CO 0.00 -1.37 0.95 -2.30 0.16 0.00 0.00 175.35 172.79 2jtg n PRO 47 N 5.38 0.02 0.47 4.03 -0.02 -1.26 0.77 135.00 144.39 2jtg n PRO 47 Ca -0.12 0.40 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 2jtg n PRO 47 Cb 0.41 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 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 0.11 0.00 3.45 1.03 -1.97 -3.36 112.91 112.17 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 0.32 0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.51 2jtg h THR 48 CO 0.00 0.00 -0.25 0.29 -0.01 0.00 0.00 175.52 175.55 2jtg n LYS 49 N -5.61 3.31 0.05 0.00 5.02 -1.05 -4.79 118.16 115.08 2jtg n LYS 49 Ca -0.16 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.25 2jtg n LYS 49 Cb 0.48 -0.51 0.13 0.00 -0.02 0.00 0.00 35.03 35.10 2jtg n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2jtg n TYR 50 N -0.52 0.45 -1.43 2.13 4.01 0.23 -4.87 117.16 117.16 2jtg n TYR 50 Ca 0.00 0.13 -0.18 0.00 -0.16 0.00 0.00 57.90 57.69 2jtg n TYR 50 Cb 0.00 -0.58 -0.18 0.00 -0.31 0.00 0.00 39.34 38.27 2jtg n TYR 50 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2jtg n SER 51 N -2.05 -1.23 -3.62 7.72 2.88 -0.68 -4.69 113.62 111.96 2jtg n SER 51 Ca 0.03 -0.80 -0.04 0.00 -1.33 0.00 0.00 58.87 56.73 2jtg n SER 51 Cb 0.44 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.08 -0.12 0.07 -3.46 1.04 -1.26 -1.75 113.70 109.31 2jtg s SER 52 Ca 1.08 0.07 0.01 0.00 0.48 0.00 0.00 55.95 57.59 2jtg s SER 52 Cb -0.65 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 2jtg s SER 52 CO 0.43 -0.15 -0.06 -0.63 0.98 0.00 0.00 173.24 173.81 2jtg s ILE 53 N -1.69 0.52 0.27 -1.02 -1.09 0.32 -2.80 121.20 115.72 2jtg s ILE 53 Ca 0.08 -1.64 0.08 0.00 -2.23 0.00 0.00 60.65 56.94 2jtg s ILE 53 Cb -0.01 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 2jtg s ILE 53 CO -0.05 -0.76 0.13 0.00 -1.23 0.00 0.00 174.94 173.04 2jtg h SER 55 N 1.61 0.73 -1.33 0.00 0.02 -1.65 -3.10 113.55 109.83 2jtg h SER 55 Ca -0.46 -0.02 0.39 0.00 -0.84 0.00 0.00 61.79 60.85 2jtg h SER 55 Cb 1.24 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 2jtg h SER 55 CO 0.61 0.54 1.29 -0.33 -1.14 0.00 0.00 176.83 177.80 2jtg h GLU 56 N 0.86 0.00 0.00 3.45 5.08 -1.96 0.87 114.58 122.88 2jtg h GLU 56 Ca 0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2jtg h GLU 56 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2jtg h GLU 56 CO -0.05 0.00 -2.05 0.72 -1.00 0.00 0.00 179.01 176.63 2jtg n HIS 57 N -3.45 0.00 -2.85 4.33 8.25 -1.17 -4.97 115.22 115.35 2jtg n HIS 57 Ca 0.30 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.44 2jtg n HIS 57 Cb 1.69 -0.59 -0.05 0.00 1.12 0.00 0.00 29.99 32.16 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 -3.26 3.39 0.16 4.41 0.08 0.30 -3.28 117.98 119.78 2jtg s PHE 58 Ca -0.08 1.33 -0.16 0.00 0.12 0.00 0.00 56.93 58.14 2jtg s PHE 58 Cb 0.12 -2.65 -0.07 0.00 -0.57 0.00 0.00 43.02 39.85 2jtg s PHE 58 CO 0.87 -0.09 0.60 0.95 -0.10 0.00 0.00 175.22 177.45 2jtg s THR 59 N -2.24 4.76 0.34 0.64 -4.23 -1.26 -4.95 115.64 108.70 2jtg s THR 59 Ca 0.57 0.99 0.10 0.00 -1.18 0.00 0.00 61.69 62.17 2jtg s THR 59 Cb -0.10 -3.78 0.33 0.00 1.34 0.00 0.00 72.50 70.29 2jtg s THR 59 CO 0.22 0.26 1.78 -0.65 -0.54 0.00 0.00 174.62 175.69 2jtg h PRO 60 N 3.60 0.61 -0.26 3.99 0.11 -1.97 0.19 132.00 138.27 2jtg h PRO 60 Ca -0.48 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2jtg h PRO 60 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2jtg h PRO 60 CO 0.65 0.40 0.19 0.22 -0.21 0.00 0.00 178.00 179.25 2jtg h ASP 61 N 0.63 0.03 0.20 -2.05 3.58 -2.02 0.32 116.42 117.10 2jtg h ASP 61 Ca 0.57 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.02 2jtg h ASP 61 Cb 1.08 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.12 2jtg h ASP 61 CO -0.34 0.02 -0.01 0.00 -2.88 0.00 0.00 179.24 176.02 2jtg n PHE 63 N -1.02 3.00 -0.34 0.00 3.72 0.11 -4.70 117.46 118.24 2jtg n PHE 63 Ca 0.20 -2.48 -0.00 0.00 -0.05 0.00 0.00 57.45 55.12 2jtg n PHE 63 Cb 0.18 -1.26 0.05 0.00 -0.94 0.00 0.00 39.48 37.51 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 -0.59 -0.19 -3.88 -1.08 5.02 -1.25 -3.88 118.16 112.30 2jtg n LYS 64 Ca 0.56 1.38 -0.35 0.00 -2.02 0.00 0.00 58.31 57.87 2jtg n LYS 64 Cb 0.34 -2.04 -0.14 0.00 -0.02 0.00 0.00 35.03 33.17 2jtg n LYS 64 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jtg s ARG 65 N -5.88 3.09 -0.35 1.97 3.00 -1.26 -4.97 118.95 114.55 2jtg s ARG 65 Ca -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 55.73 54.83 2jtg s ARG 65 Cb 0.19 -3.12 0.58 0.00 0.00 0.00 0.00 34.95 32.61 2jtg s ARG 65 CO 0.64 -0.35 1.73 -1.91 0.00 0.00 0.00 175.30 175.42 2jtg n GLU 66 N 4.77 2.43 -0.74 3.54 4.07 -1.25 -4.58 120.64 128.89 2jtg n GLU 66 Ca -0.16 -2.54 -0.08 0.00 -0.06 0.00 0.00 57.16 54.32 2jtg n GLU 66 Cb 0.48 -2.02 0.05 0.00 -0.06 0.00 0.00 31.44 29.90 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 -0.38 0.20 -2.50 0.00 -0.73 -2.07 -3.41 115.58 106.69 2jtg h ASN 68 Ca -0.11 0.04 -0.24 0.00 1.87 0.00 0.00 56.30 57.85 2jtg h ASN 68 Cb 0.33 0.00 0.13 0.00 0.27 0.00 0.00 38.32 39.05 2jtg h ASN 68 CO 0.09 0.04 0.00 -0.46 -0.37 0.00 0.00 177.43 176.73 2jtg n ASN 69 N -4.39 -2.35 -4.19 1.15 0.23 -1.26 -5.07 115.26 99.37 2jtg n ASN 69 Ca 0.24 -0.78 -0.16 0.00 -0.53 0.00 0.00 54.58 53.35 2jtg n ASN 69 Cb 1.01 -0.64 -0.11 0.00 -2.08 0.00 0.00 39.78 37.97 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jtg s LYS 70 N -4.48 0.88 -0.27 -3.83 1.02 -1.26 -4.91 119.74 106.89 2jtg s LYS 70 Ca 0.44 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 2jtg s LYS 70 Cb -0.06 -0.65 -0.00 0.00 -0.52 0.00 0.00 37.83 36.60 2jtg s LYS 70 CO 0.35 0.11 0.06 -0.51 -0.92 0.00 0.00 175.35 174.45 2jtg s LEU 71 N -2.36 3.63 -0.31 3.17 2.01 -1.26 -4.90 118.68 118.66 2jtg s LEU 71 Ca 0.05 -0.54 0.07 0.00 0.01 0.00 0.00 54.13 53.73 2jtg s LEU 71 Cb -0.04 -1.88 0.27 0.00 0.01 0.00 0.00 46.19 44.55 2jtg s LEU 71 CO 0.01 -0.13 1.23 0.00 1.01 0.00 0.00 176.35 178.47 2jtg n LEU 72 N 4.87 -1.35 0.00 1.79 -0.00 -1.26 -4.93 117.00 116.13 2jtg n LEU 72 Ca -0.15 -2.68 -0.08 0.00 -0.00 0.00 0.00 56.01 53.10 2jtg n LEU 72 Cb 0.49 0.36 0.03 0.00 -0.00 0.00 0.00 43.42 44.30 2jtg n LEU 72 CO 0.31 1.55 0.17 0.29 -0.00 0.00 0.00 177.39 179.71 2jtg n LYS 73 N -0.77 0.67 -0.65 1.47 4.01 -1.26 -4.81 118.16 116.82 2jtg n LYS 73 Ca -0.12 -1.14 0.51 0.00 -0.51 0.00 0.00 58.31 57.05 2jtg n LYS 73 Cb 0.76 -0.15 0.80 0.00 -0.51 0.00 0.00 35.03 35.94 2jtg n LYS 73 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 2jtg h GLU 74 N 0.00 0.00 0.02 1.97 4.57 -1.98 0.90 114.58 120.06 2jtg h GLU 74 Ca -0.11 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.90 2jtg h GLU 74 Cb 0.47 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2jtg h GLU 74 CO 0.14 0.00 -0.66 -0.91 -1.18 0.00 0.00 179.01 176.40 2jtg h ASN 75 N 0.00 0.54 -1.82 1.04 2.35 -1.98 -3.47 115.58 112.24 2jtg h ASN 75 Ca 0.89 -0.79 -0.54 0.00 -0.55 0.00 0.00 56.30 55.31 2jtg h ASN 75 Cb 3.62 -0.17 0.17 0.00 0.05 0.00 0.00 38.32 42.00 2jtg h ASN 75 CO -0.01 1.26 -1.14 0.00 -1.65 0.00 0.00 177.43 175.89 2jtg n ALA 76 N -2.60 -3.27 -3.64 -0.83 0.00 0.31 -5.01 120.51 105.47 2jtg n ALA 76 Ca -0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 2jtg n ALA 76 Cb 0.71 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.82 0.00 -0.21 0.00 1.01 -1.26 -4.90 120.40 113.22 2jtg s VAL 77 Ca 0.50 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.48 2jtg s VAL 77 Cb -0.41 -1.00 0.23 0.00 0.00 0.00 0.00 36.38 35.20 2jtg s VAL 77 CO 0.62 0.00 1.63 -0.81 0.00 0.00 0.00 175.10 176.54 2jtg n PRO 78 N 2.13 1.56 0.00 2.72 -0.04 -1.26 -3.99 135.00 136.12 2jtg n PRO 78 Ca -0.12 -1.23 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 2.41 -0.04 0.00 0.00 175.50 177.87 2jtg n THR 79 N 0.14 0.00 -0.62 0.52 -1.04 -1.24 -0.07 114.28 111.97 2jtg n THR 79 Ca 0.24 0.00 0.49 0.00 -2.04 0.00 0.00 64.05 62.74 2jtg n THR 79 Cb 0.80 0.00 0.76 0.00 -1.82 0.00 0.00 70.33 70.07 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 0.43 117.51 130.70 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 -1.01 0.49 0.00 0.00 0.00 178.15 177.63 2jtg n PHE 81 N -3.82 0.00 -2.32 1.37 3.01 0.89 -4.92 117.46 111.67 2jtg n PHE 81 Ca 0.41 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.48 2jtg n PHE 81 Cb 1.92 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 41.25 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 -3.13 3.25 0.27 4.37 2.96 0.15 -4.78 118.68 121.77 2jtg s LEU 82 Ca -0.01 -0.33 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2jtg s LEU 82 Cb 0.05 -2.55 0.38 0.00 0.50 0.00 0.00 46.19 44.57 2jtg s LEU 82 CO 0.28 -2.08 1.66 -0.33 -1.32 0.00 0.00 176.35 174.57 2jtg h GLU 83 N 11.84 0.31 -5.10 1.98 4.39 -1.91 -3.42 114.58 122.66 2jtg h GLU 83 Ca -0.17 -0.16 -0.65 0.00 0.34 0.00 0.00 59.36 58.72 2jtg h GLU 83 Cb 1.08 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.47 2jtg h GLU 83 CO 1.27 0.69 -0.72 -0.51 -1.16 0.00 0.00 179.01 178.58 2jtg s LEU 84 N -8.28 2.94 0.19 1.33 1.43 -1.26 -5.11 118.68 109.93 2jtg s LEU 84 Ca -0.05 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 2jtg s LEU 84 Cb 0.13 -1.73 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 2jtg s LEU 84 CO 0.79 0.04 0.67 -0.69 0.23 0.00 0.00 176.35 177.39 2jtg s VAL 85 N 1.09 4.65 -0.48 -1.59 1.01 -1.26 -4.97 120.40 118.85 2jtg s VAL 85 Ca 0.01 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.88 2jtg s VAL 85 Cb -0.15 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2jtg s VAL 85 CO -0.00 0.24 2.40 -2.65 0.00 0.00 0.00 175.10 175.08 2jtg n PRO 86 N 0.80 1.10 0.00 2.72 -0.02 -1.26 -5.26 135.00 133.07 2jtg n PRO 86 Ca -0.03 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 2jtg n PRO 86 Cb 0.51 -3.13 0.18 0.00 -0.02 0.00 0.00 33.50 31.04 2jtg n PRO 86 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35