#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 1.86 0.00 1.12 0.31 -1.26 -4.96 118.33 115.39 2jtg n VAL 2 Ca 0.00 -1.87 0.00 0.00 -0.01 0.00 0.00 64.34 62.46 2jtg n VAL 2 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.83 0.00 -3.25 5.55 -0.06 -1.26 -4.50 117.38 113.04 2jtg n GLN 3 Ca 0.16 0.00 -0.18 0.00 -2.00 0.00 0.00 57.00 54.97 2jtg n GLN 3 Cb 0.67 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.84 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 5.52 0.23 1.69 1.04 -1.26 -4.57 113.70 116.36 2jtg s SER 4 Ca 0.00 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 2jtg s SER 4 Cb 0.00 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 2jtg s SER 4 CO 0.00 -0.67 0.25 0.00 0.98 0.00 0.00 173.24 173.79 2jtg h SER 6 N 2.46 0.50 -0.90 0.00 0.87 -1.56 -3.46 113.55 111.46 2jtg h SER 6 Ca -0.32 -0.75 -0.76 0.00 -1.23 0.00 0.00 61.79 58.73 2jtg h SER 6 Cb 1.25 -0.15 0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2jtg h SER 6 CO 0.46 1.18 0.43 0.00 -0.53 0.00 0.00 176.83 178.37 2jtg n ALA 7 N -2.58 -1.93 -1.67 6.23 0.00 -1.26 -4.77 120.51 114.54 2jtg n ALA 7 Ca -0.10 0.48 -0.46 0.00 0.00 0.00 0.00 53.44 53.36 2jtg n ALA 7 Cb 0.64 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 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 2.83 2.27 -4.08 0.00 4.19 -1.26 -2.28 117.16 118.83 2jtg n TYR 8 Ca 0.24 0.23 -0.29 0.00 3.31 0.00 0.00 57.90 61.39 2jtg n TYR 8 Cb -0.01 -2.56 -0.03 0.00 0.49 0.00 0.00 39.34 37.23 2jtg n TYR 8 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2jtg n GLY 9 N 3.55 -0.27 3.80 2.98 0.00 -1.26 -4.92 105.19 109.08 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 -3.02 2.27 -0.63 0.00 3.00 -1.26 -5.05 118.16 113.48 2jtg n LYS 11 Ca 0.08 -2.91 -0.31 0.00 -0.00 0.00 0.00 58.31 55.17 2jtg n LYS 11 Cb 0.53 -1.77 0.19 0.00 0.00 0.00 0.00 35.03 33.98 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 -0.88 -1.75 -3.19 3.14 0.23 -1.26 -4.84 115.26 106.71 2jtg n ASN 12 Ca 0.24 0.02 0.04 0.00 -0.53 0.00 0.00 54.58 54.36 2jtg n ASN 12 Cb 0.88 -1.17 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 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 -3.95 0.23 -1.08 -3.83 1.70 -1.26 -2.09 118.95 108.66 2jtg s ARG 13 Ca 0.62 0.44 -0.23 0.00 -0.47 0.00 0.00 55.73 56.09 2jtg s ARG 13 Cb -0.20 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 2jtg s ARG 13 CO 0.65 -0.21 1.83 -0.47 -1.08 0.00 0.00 175.30 176.02 2jtg s TYR 14 N 2.81 2.14 0.15 5.89 6.14 -1.26 -4.72 117.35 128.50 2jtg s TYR 14 Ca 0.00 -0.04 0.07 0.00 0.64 0.00 0.00 57.07 57.74 2jtg s TYR 14 Cb -0.09 -4.26 -0.04 0.00 0.42 0.00 0.00 41.96 37.99 2jtg s TYR 14 CO -0.13 -1.60 -0.00 0.34 0.64 0.00 0.00 175.55 174.79 2jtg s ASP 15 N 6.38 4.83 0.53 4.32 -1.08 -1.25 -4.64 116.67 125.76 2jtg s ASP 15 Ca 0.63 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.55 2jtg s ASP 15 Cb -0.02 -1.06 1.45 0.00 -1.46 0.00 0.00 42.92 41.83 2jtg s ASP 15 CO 0.04 0.12 2.15 0.07 0.52 0.00 0.00 175.17 178.06 2jtg h LYS 16 N 2.95 0.00 0.00 4.34 2.10 -2.00 -3.03 116.57 120.92 2jtg h LYS 16 Ca -0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.13 2jtg h LYS 16 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2jtg h LYS 16 CO 0.58 0.06 -0.36 -0.44 -2.00 0.00 0.00 179.45 177.29 2jtg h ASP 17 N 0.00 0.00 -3.01 7.07 3.32 -1.96 -3.44 116.42 118.40 2jtg h ASP 17 Ca -0.00 -0.36 -0.57 0.00 0.02 0.00 0.00 57.03 56.12 2jtg h ASP 17 Cb 0.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2jtg h ASP 17 CO 0.01 0.88 1.16 -0.75 -1.72 0.00 0.00 179.24 178.81 2jtg s LYS 18 N -2.04 3.49 0.00 3.56 2.47 -1.14 -4.87 119.74 121.21 2jtg s LYS 18 Ca -0.14 1.18 0.00 0.00 -1.56 0.00 0.00 55.97 55.45 2jtg s LYS 18 Cb 0.01 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 2jtg s LYS 18 CO 0.34 -1.67 0.96 -0.35 0.16 0.00 0.00 175.35 174.79 2jtg n PRO 19 N 8.20 0.67 -2.45 4.03 -0.04 -1.26 -3.84 135.00 140.31 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 0.47 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.48 4.03 0.34 0.52 0.11 -1.26 -5.01 120.40 119.60 2jtg s VAL 20 Ca 0.00 1.05 0.04 0.00 -2.93 0.00 0.00 61.98 60.14 2jtg s VAL 20 Cb 0.00 -4.37 -0.01 0.00 -1.53 0.00 0.00 36.38 30.46 2jtg s VAL 20 CO 0.00 -0.86 0.50 -0.94 -3.33 0.00 0.00 175.10 170.47 2jtg s SER 21 N 3.33 6.04 0.06 3.54 1.04 -1.26 -4.66 113.70 121.78 2jtg s SER 21 Ca 0.56 0.02 0.09 0.00 0.48 0.00 0.00 55.95 57.10 2jtg s SER 21 Cb -0.11 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 2jtg s SER 21 CO 0.32 -0.41 -0.24 -0.36 0.98 0.00 0.00 173.24 173.53 2jtg s PHE 22 N -2.23 2.10 -0.05 5.02 0.40 -1.26 -1.36 117.98 120.59 2jtg s PHE 22 Ca 0.43 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 2jtg s PHE 22 Cb -0.10 -1.23 0.02 0.00 0.51 0.00 0.00 43.02 42.22 2jtg s PHE 22 CO 0.33 0.15 -0.04 -1.01 0.70 0.00 0.00 175.22 175.34 2jtg s HIS 23 N -0.86 0.77 0.72 0.36 3.76 0.92 -4.96 115.29 115.98 2jtg s HIS 23 Ca 0.10 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.68 2jtg s HIS 23 Cb -0.10 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 32.91 2jtg s HIS 23 CO 0.03 -0.22 1.08 0.15 -0.85 0.00 0.00 174.74 174.92 2jtg s LYS 24 N 1.11 2.68 0.14 1.40 -0.14 -1.26 0.15 119.74 123.81 2jtg s LYS 24 Ca -0.08 1.09 -0.31 0.00 -1.36 0.00 0.00 55.97 55.31 2jtg s LYS 24 Cb -0.14 -1.95 -0.10 0.00 -1.68 0.00 0.00 37.83 33.96 2jtg s LYS 24 CO -0.01 -1.31 1.74 -0.06 -0.76 0.00 0.00 175.35 174.95 2jtg s PHE 25 N -2.90 2.48 0.32 3.18 0.40 -0.28 -4.75 117.98 116.44 2jtg s PHE 25 Ca 0.60 0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2jtg s PHE 25 Cb -0.16 -4.10 -0.05 0.00 0.51 0.00 0.00 43.02 39.22 2jtg s PHE 25 CO 0.53 -4.38 0.59 -1.25 0.70 0.00 0.00 175.22 171.41 2jtg s PRO 26 N 2.17 3.61 -0.03 0.24 0.04 -1.26 -4.96 135.00 134.81 2jtg s PRO 26 Ca 0.77 0.00 0.09 0.00 0.04 0.00 0.00 61.00 61.91 2jtg s PRO 26 Cb -0.45 -2.61 -0.14 0.00 0.04 0.00 0.00 34.50 31.34 2jtg s PRO 26 CO 0.34 0.15 0.17 1.28 0.04 0.00 0.00 177.00 178.98 2jtg n LEU 27 N -1.20 0.00 0.20 -3.56 4.77 -1.26 -4.51 117.00 111.44 2jtg n LEU 27 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2jtg n LEU 27 Cb 0.54 0.05 0.41 0.00 -2.33 0.00 0.00 43.42 42.10 2jtg n LEU 27 CO 0.48 0.05 0.79 0.71 -1.33 0.00 0.00 177.39 178.10 2jtg h THR 28 N 0.00 1.22 -3.44 -5.08 1.35 -2.01 -3.35 112.91 101.59 2jtg h THR 28 Ca -0.06 -1.03 -0.73 0.00 -0.55 0.00 0.00 66.41 64.04 2jtg h THR 28 Cb 0.71 1.55 -0.30 0.00 -1.73 0.00 0.00 68.15 68.38 2jtg h THR 28 CO 0.00 0.29 -0.29 -0.60 -0.25 0.00 0.00 175.52 174.68 2jtg s ARG 29 N -4.36 2.72 0.00 4.72 3.00 -1.26 -4.97 118.95 118.79 2jtg s ARG 29 Ca -0.03 -2.06 0.00 0.00 -1.00 0.00 0.00 55.73 52.63 2jtg s ARG 29 Cb 0.15 -3.99 0.00 0.00 0.00 0.00 0.00 34.95 31.11 2jtg s ARG 29 CO 0.72 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.45 2jtg n PRO 30 N 4.43 0.00 -0.09 5.12 -0.04 -1.26 -3.24 135.00 139.92 2jtg n PRO 30 Ca -0.01 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 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 -0.75 -0.63 3.54 4.64 -1.96 0.79 113.55 119.18 2jtg h SER 31 Ca 0.00 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2jtg h SER 31 Cb 0.00 0.38 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 2jtg h SER 31 CO 0.00 -0.26 0.42 0.25 -0.87 0.00 0.00 176.83 176.37 2jtg h LEU 32 N -0.18 0.58 -1.98 5.97 5.85 -1.98 -0.81 115.31 122.76 2jtg h LEU 32 Ca 0.17 -0.00 0.21 0.00 0.84 0.00 0.00 57.88 59.10 2jtg h LEU 32 Cb 0.45 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2jtg h LEU 32 CO -0.45 0.38 0.52 0.00 -0.34 0.00 0.00 178.44 178.55 2jtg h LYS 34 N 0.02 0.54 -0.91 0.00 3.64 -0.54 0.90 116.57 120.21 2jtg h LYS 34 Ca 0.35 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 2jtg h LYS 34 Cb 1.35 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 2jtg h LYS 34 CO -0.01 0.36 0.57 0.93 -2.27 0.00 0.00 179.45 179.03 2jtg h GLU 35 N 0.55 1.00 -0.37 1.90 5.08 -0.50 0.87 114.58 123.13 2jtg h GLU 35 Ca 0.52 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.85 2jtg h GLU 35 Cb 1.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2jtg h GLU 35 CO -0.26 0.66 0.24 -1.49 -1.00 0.00 0.00 179.01 177.17 2jtg h TRP 36 N 1.03 0.36 -0.80 4.33 4.06 0.74 0.22 115.95 125.89 2jtg h TRP 36 Ca 0.40 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.42 2jtg h TRP 36 Cb 0.19 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.18 2jtg h TRP 36 CO -0.02 0.21 0.52 0.93 -3.56 0.00 0.00 178.44 176.52 2jtg h GLU 37 N 0.37 0.85 -0.37 0.49 5.08 -0.44 0.26 114.58 120.82 2jtg h GLU 37 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2jtg h GLU 37 Cb 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2jtg h GLU 37 CO -0.03 0.56 0.16 0.00 -1.00 0.00 0.00 179.01 178.70 2jtg h ALA 38 N 1.56 1.60 -0.60 3.43 0.00 -0.48 -0.15 119.26 124.62 2jtg h ALA 38 Ca 0.34 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.34 2jtg h ALA 38 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jtg h ALA 38 CO -0.12 0.32 0.56 0.00 0.00 0.00 0.00 179.25 180.01 2jtg h ALA 39 N 1.67 2.40 0.00 0.00 0.00 -0.26 -3.09 119.26 119.98 2jtg h ALA 39 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jtg h ALA 39 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jtg h ALA 39 CO -0.02 -0.87 -0.23 0.28 0.00 0.00 0.00 179.25 178.41 2jtg n VAL 40 N -3.85 0.38 -0.44 0.00 0.31 -0.17 -4.26 118.33 110.31 2jtg n VAL 40 Ca 0.12 0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 2jtg n VAL 40 Cb 0.79 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 -2.98 0.00 0.00 5.55 3.00 -0.58 -4.56 116.66 117.09 2jtg n ARG 41 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2jtg n ARG 41 Cb 0.12 -3.79 0.00 0.00 0.00 0.00 0.00 32.46 28.79 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 0.00 -2.99 -0.14 5.12 -1.26 -5.09 116.66 110.30 2jtg n ARG 42 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 2jtg n ARG 42 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 2jtg n ARG 42 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2jtg s LYS 43 N 0.00 3.12 -0.71 5.56 2.20 -1.26 -4.95 119.74 123.69 2jtg s LYS 43 Ca 0.00 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 54.95 2jtg s LYS 43 Cb 0.00 -2.55 -0.17 0.00 -1.51 0.00 0.00 37.83 33.59 2jtg s LYS 43 CO 0.00 -0.24 1.90 -1.71 -0.36 0.00 0.00 175.35 174.94 2jtg n ASN 44 N -2.07 2.40 0.00 1.43 2.85 -1.26 -4.76 115.26 113.85 2jtg n ASN 44 Ca 0.01 -2.67 0.00 0.00 -0.11 0.00 0.00 54.58 51.81 2jtg n ASN 44 Cb 0.57 -1.07 0.00 0.00 1.24 0.00 0.00 39.78 40.52 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 2jtg n PHE 45 N 7.63 0.00 -1.57 1.20 1.16 -1.26 -4.65 117.46 119.96 2jtg n PHE 45 Ca 0.49 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.68 2jtg n PHE 45 Cb 0.41 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.24 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 0.00 1.47 0.00 3.97 3.00 -1.26 -4.73 118.16 120.61 2jtg n LYS 46 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 2jtg n LYS 46 Cb 0.00 -3.34 0.02 0.00 0.00 0.00 0.00 35.03 31.71 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 8.89 0.02 0.28 1.64 -0.02 -1.26 -1.77 135.00 142.77 2jtg n PRO 47 Ca 0.34 0.05 -0.16 0.00 -2.02 0.00 0.00 63.50 61.71 2jtg n PRO 47 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.52 0.00 3.45 1.03 -1.96 -3.33 112.91 112.62 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 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 2jtg h THR 48 CO 0.00 0.00 -0.44 0.29 -0.01 0.00 0.00 175.52 175.36 2jtg n LYS 49 N -5.37 2.81 0.18 0.00 5.02 -1.20 -4.77 118.16 114.83 2jtg n LYS 49 Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.30 2jtg n LYS 49 Cb 0.27 -0.72 0.21 0.00 -0.02 0.00 0.00 35.03 34.77 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 -1.57 -3.42 116.97 114.16 2jtg h TYR 50 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.42 2jtg h TYR 50 Cb 0.15 0.00 0.09 0.00 1.01 0.00 0.00 36.73 37.98 2jtg h TYR 50 CO 0.00 0.00 1.02 0.45 -1.05 0.00 0.00 178.16 178.58 2jtg n SER 51 N -2.83 0.21 -3.62 3.88 2.88 -1.19 -4.24 113.62 108.71 2jtg n SER 51 Ca 0.04 -1.71 -0.04 0.00 -1.33 0.00 0.00 58.87 55.83 2jtg n SER 51 Cb 0.51 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.63 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 5.41 -0.12 0.10 -3.46 1.04 -1.26 -1.13 113.70 114.28 2jtg s SER 52 Ca 0.42 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.95 2jtg s SER 52 Cb 0.09 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2jtg s SER 52 CO 0.21 -0.15 -0.10 -0.63 0.98 0.00 0.00 173.24 173.55 2jtg s ILE 53 N -1.69 0.91 0.20 -1.02 -1.09 0.40 -1.91 121.20 117.02 2jtg s ILE 53 Ca 0.08 -1.66 0.07 0.00 -2.23 0.00 0.00 60.65 56.91 2jtg s ILE 53 Cb -0.01 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 2jtg s ILE 53 CO -0.05 -0.58 0.07 0.00 -1.23 0.00 0.00 174.94 173.14 2jtg h SER 55 N 2.26 0.62 -1.25 0.00 0.02 -1.57 -2.92 113.55 110.70 2jtg h SER 55 Ca -0.47 0.02 0.36 0.00 -0.84 0.00 0.00 61.79 60.86 2jtg h SER 55 Cb 1.22 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 2jtg h SER 55 CO 0.60 0.36 1.21 -0.33 -1.14 0.00 0.00 176.83 177.53 2jtg h GLU 56 N 0.68 0.00 0.00 3.45 5.08 -1.96 0.89 114.58 122.73 2jtg h GLU 56 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2jtg h GLU 56 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jtg h GLU 56 CO -0.14 0.00 -1.90 0.72 -1.00 0.00 0.00 179.01 176.69 2jtg n HIS 57 N -3.50 0.00 -2.44 4.33 8.25 -1.10 -4.97 115.22 115.78 2jtg n HIS 57 Ca 0.28 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.46 2jtg n HIS 57 Cb 1.59 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 32.26 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 -3.45 3.55 0.25 4.41 0.08 0.31 -3.38 117.98 119.75 2jtg s PHE 58 Ca -0.06 0.90 -0.26 0.00 0.12 0.00 0.00 56.93 57.63 2jtg s PHE 58 Cb 0.14 -2.44 -0.09 0.00 -0.57 0.00 0.00 43.02 40.06 2jtg s PHE 58 CO 0.89 -0.42 0.88 0.95 -0.10 0.00 0.00 175.22 177.42 2jtg s THR 59 N -2.86 4.25 0.29 0.64 -4.23 -1.26 -4.96 115.64 107.51 2jtg s THR 59 Ca 0.50 1.80 0.03 0.00 -1.18 0.00 0.00 61.69 62.84 2jtg s THR 59 Cb -0.10 -4.11 0.29 0.00 1.34 0.00 0.00 72.50 69.92 2jtg s THR 59 CO 0.47 0.33 1.81 -0.65 -0.54 0.00 0.00 174.62 176.04 2jtg h PRO 60 N 3.72 0.87 0.00 3.99 0.11 -1.97 -0.25 132.00 138.47 2jtg h PRO 60 Ca -0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2jtg h PRO 60 Cb 1.20 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jtg h PRO 60 CO 0.66 0.57 -0.24 0.22 -0.21 0.00 0.00 178.00 179.01 2jtg h ASP 61 N 0.89 0.00 0.18 -2.05 3.58 -2.03 -2.44 116.42 114.55 2jtg h ASP 61 Ca 0.53 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.98 2jtg h ASP 61 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2jtg h ASP 61 CO -0.32 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.28 2jtg n PHE 63 N -2.36 2.56 0.78 0.00 3.72 -0.92 -4.55 117.46 116.69 2jtg n PHE 63 Ca -0.01 -2.37 0.11 0.00 -0.05 0.00 0.00 57.45 55.14 2jtg n PHE 63 Cb 0.08 -1.27 0.49 0.00 -0.94 0.00 0.00 39.48 37.84 2jtg n PHE 63 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2jtg n LYS 64 N -0.20 0.02 -3.51 -1.08 2.85 -1.08 -4.49 118.16 110.67 2jtg n LYS 64 Ca 0.52 0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 57.48 2jtg n LYS 64 Cb 0.45 -1.53 -0.08 0.00 -0.65 0.00 0.00 35.03 33.22 2jtg n LYS 64 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jtg s ARG 65 N -3.02 2.62 -0.79 -1.58 0.52 -1.26 -4.96 118.95 110.47 2jtg s ARG 65 Ca 0.11 -1.83 -0.05 0.00 -0.52 0.00 0.00 55.73 53.44 2jtg s ARG 65 Cb 0.15 -4.00 0.02 0.00 0.52 0.00 0.00 34.95 31.64 2jtg s ARG 65 CO 0.43 -1.22 2.78 -1.91 0.02 0.00 0.00 175.30 175.40 2jtg n GLU 66 N 4.85 3.22 -4.22 3.54 4.07 -1.26 -4.74 120.64 126.09 2jtg n GLU 66 Ca -0.07 -2.53 -0.13 0.00 -0.06 0.00 0.00 57.16 54.38 2jtg n GLU 66 Cb 0.41 -2.35 -0.10 0.00 -0.06 0.00 0.00 31.44 29.34 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 2.67 0.00 -0.45 0.00 -0.00 -2.05 -3.27 115.58 112.48 2jtg h ASN 68 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.94 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 0.60 0.87 0.00 0.59 -0.00 0.00 0.00 177.43 179.49 2jtg n ASN 69 N -3.24 4.52 -3.48 1.15 4.13 -1.26 -4.77 115.26 112.32 2jtg n ASN 69 Ca -0.03 -2.66 -0.17 0.00 1.68 0.00 0.00 54.58 53.41 2jtg n ASN 69 Cb 0.91 -0.62 -0.12 0.00 -1.54 0.00 0.00 39.78 38.41 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2jtg s LYS 70 N -2.27 0.21 0.19 3.52 -0.14 -1.23 -5.15 119.74 114.88 2jtg s LYS 70 Ca 0.42 0.27 0.02 0.00 -1.36 0.00 0.00 55.97 55.32 2jtg s LYS 70 Cb 0.31 -1.05 -0.01 0.00 -1.68 0.00 0.00 37.83 35.40 2jtg s LYS 70 CO 0.13 -0.64 0.21 1.28 -0.76 0.00 0.00 175.35 175.57 2jtg n LEU 71 N 5.33 0.00 0.00 3.17 4.77 -1.26 -4.25 117.00 124.75 2jtg n LEU 71 Ca -0.05 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 2jtg n LEU 71 Cb 0.50 1.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.74 2jtg n LEU 71 CO 0.08 -0.33 0.00 0.00 -1.33 0.00 0.00 177.39 175.81 2jtg n LEU 72 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -4.82 117.00 113.15 2jtg n LEU 72 Ca 0.03 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.81 2jtg n LEU 72 Cb 0.34 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 43.93 2jtg n LEU 72 CO 0.17 0.00 0.61 1.17 -0.00 0.00 0.00 177.39 179.34 2jtg n LYS 73 N 0.00 -1.61 -0.35 1.47 3.00 -1.26 -4.67 118.16 114.73 2jtg n LYS 73 Ca 0.00 -1.52 0.37 0.00 -0.00 0.00 0.00 58.31 57.16 2jtg n LYS 73 Cb 0.00 -1.14 0.71 0.00 0.00 0.00 0.00 35.03 34.59 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 -0.20 1.64 4.81 -2.00 0.89 114.58 119.72 2jtg h GLU 74 Ca -0.33 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.75 2jtg h GLU 74 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2jtg h GLU 74 CO 0.23 0.00 -0.47 -0.91 -0.73 0.00 0.00 179.01 177.13 2jtg h ASN 75 N 0.00 0.76 -0.50 1.04 2.35 -1.97 -3.47 115.58 113.80 2jtg h ASN 75 Ca 0.61 -0.56 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 2jtg h ASN 75 Cb 2.68 -0.22 0.05 0.00 0.05 0.00 0.00 38.32 40.88 2jtg h ASN 75 CO -0.01 1.19 -0.26 0.00 -1.65 0.00 0.00 177.43 176.70 2jtg n ALA 76 N -2.54 -1.92 -3.64 -0.83 0.00 0.31 -4.99 120.51 106.89 2jtg n ALA 76 Ca -0.06 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 2jtg n ALA 76 Cb 0.58 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.50 0.00 -0.18 0.00 1.01 -1.26 -4.94 120.40 114.53 2jtg s VAL 77 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2jtg s VAL 77 Cb -0.45 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.12 2jtg s VAL 77 CO 0.27 0.00 1.59 -0.81 0.00 0.00 0.00 175.10 176.16 2jtg n PRO 78 N 2.33 1.48 0.00 2.72 -0.04 -1.26 -4.00 135.00 136.23 2jtg n PRO 78 Ca -0.13 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 2jtg n PRO 78 Cb 0.56 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.25 0.00 -0.69 0.52 -2.24 -1.23 -0.27 114.28 110.62 2jtg n THR 79 Ca 0.20 0.00 0.52 0.00 -2.27 0.00 0.00 64.05 62.51 2jtg n THR 79 Cb 0.76 0.00 0.82 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.02 -0.00 2.28 2.04 -1.88 0.76 117.51 120.72 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 -0.19 0.49 0.00 0.00 0.00 178.15 178.45 2jtg n PHE 81 N -3.99 0.00 -1.68 1.37 3.01 0.63 -5.01 117.46 111.79 2jtg n PHE 81 Ca 0.44 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.44 2jtg n PHE 81 Cb 1.98 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 41.41 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 -0.56 3.56 -0.04 4.37 7.94 0.26 -4.68 117.00 127.85 2jtg n LEU 82 Ca 0.02 1.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 2jtg n LEU 82 Cb 0.13 -1.44 -0.05 0.00 0.53 0.00 0.00 43.42 42.59 2jtg n LEU 82 CO 0.10 -0.04 0.89 1.05 -1.11 0.00 0.00 177.39 178.27 2jtg h GLU 83 N 8.27 0.24 -3.39 1.96 4.11 -1.94 -3.47 114.58 120.36 2jtg h GLU 83 Ca -0.47 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 2jtg h GLU 83 Cb 1.25 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 2jtg h GLU 83 CO 0.93 0.26 0.05 -1.17 0.07 0.00 0.00 179.01 179.15 2jtg s LEU 84 N -9.97 0.17 -0.34 3.06 0.20 -1.26 -5.14 118.68 105.39 2jtg s LEU 84 Ca -0.13 -0.93 -0.01 0.00 0.69 0.00 0.00 54.13 53.75 2jtg s LEU 84 Cb 0.07 2.22 0.08 0.00 -0.43 0.00 0.00 46.19 48.14 2jtg s LEU 84 CO 0.70 -1.32 0.08 -0.69 -0.29 0.00 0.00 176.35 174.82 2jtg s VAL 85 N -3.58 2.89 0.00 1.68 1.01 -1.26 -5.11 120.40 116.03 2jtg s VAL 85 Ca 0.19 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2jtg s VAL 85 Cb -0.03 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2jtg s VAL 85 CO 0.10 -0.41 0.00 -2.65 0.00 0.00 0.00 175.10 172.14 2jtg n PRO 86 N 4.52 1.94 -0.76 2.72 -0.02 -1.26 -5.31 135.00 136.83 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 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 2jtg n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02