#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 1.84 -3.65 3.17 0.31 -1.26 -4.90 118.33 113.83 2jtg n VAL 2 Ca 0.00 -1.87 -0.02 0.00 -0.01 0.00 0.00 64.34 62.44 2jtg n VAL 2 Cb 0.00 -0.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.78 2jtg n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2jtg s GLN 3 N -2.46 0.11 0.47 5.55 2.00 -1.26 -4.60 119.66 119.47 2jtg s GLN 3 Ca 0.31 0.15 0.05 0.00 -2.00 0.00 0.00 55.36 53.87 2jtg s GLN 3 Cb 0.25 0.04 0.02 0.00 0.80 0.00 0.00 33.01 34.12 2jtg s GLN 3 CO 0.06 -0.02 0.65 -1.54 -0.50 0.00 0.00 175.29 173.94 2jtg s SER 4 N 0.41 5.54 0.33 6.67 1.04 -1.26 -4.38 113.70 122.05 2jtg s SER 4 Ca 0.02 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.27 2jtg s SER 4 Cb -0.04 -0.82 -0.03 0.00 0.10 0.00 0.00 66.02 65.23 2jtg s SER 4 CO -0.13 -0.88 0.18 0.00 0.98 0.00 0.00 173.24 173.39 2jtg h SER 6 N 2.11 0.42 -0.70 0.00 0.87 -1.63 -3.43 113.55 111.20 2jtg h SER 6 Ca -0.32 -0.44 -0.74 0.00 -1.23 0.00 0.00 61.79 59.06 2jtg h SER 6 Cb 1.25 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2jtg h SER 6 CO 0.49 0.78 1.24 0.00 -0.53 0.00 0.00 176.83 178.81 2jtg n ALA 7 N -2.41 0.32 -1.75 6.23 0.00 -1.26 -4.82 120.51 116.82 2jtg n ALA 7 Ca -0.05 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2jtg n ALA 7 Cb 0.35 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2jtg n ALA 7 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2jtg s TYR 8 N 5.83 2.54 -0.97 0.00 2.02 -1.26 -2.55 117.35 122.96 2jtg s TYR 8 Ca 1.12 0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 57.99 2jtg s TYR 8 Cb -1.21 -4.13 0.00 0.00 -0.40 0.00 0.00 41.96 36.22 2jtg s TYR 8 CO 0.61 -4.48 0.82 0.41 -1.57 0.00 0.00 175.55 171.34 2jtg n GLY 9 N 4.08 -0.19 3.90 0.71 0.00 -1.26 -5.01 105.19 107.42 2jtg n GLY 9 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.33 3.62 -1.07 0.00 3.00 -1.26 -5.02 118.16 115.09 2jtg n LYS 11 Ca 0.01 -2.95 -0.32 0.00 -0.00 0.00 0.00 58.31 55.05 2jtg n LYS 11 Cb 0.55 -1.99 0.12 0.00 0.00 0.00 0.00 35.03 33.72 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 -1.52 3.73 -0.30 3.14 2.20 -1.26 -5.01 114.94 115.92 2jtg s ASN 12 Ca 0.46 2.14 -0.05 0.00 -0.94 0.00 0.00 52.86 54.48 2jtg s ASN 12 Cb 0.37 -2.56 0.18 0.00 -2.00 0.00 0.00 41.25 37.24 2jtg s ASN 12 CO 0.12 -2.56 0.71 0.00 -2.94 0.00 0.00 177.10 172.42 2jtg s ARG 13 N -4.49 0.48 -1.16 3.55 1.70 -1.26 -4.55 118.95 113.23 2jtg s ARG 13 Ca 0.67 0.90 -0.23 0.00 -0.47 0.00 0.00 55.73 56.60 2jtg s ARG 13 Cb -0.23 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.56 2jtg s ARG 13 CO 0.53 -0.47 1.96 -0.47 -1.08 0.00 0.00 175.30 175.76 2jtg s TYR 14 N 2.87 1.87 0.11 5.89 6.14 -1.26 -4.69 117.35 128.27 2jtg s TYR 14 Ca 0.13 0.67 0.08 0.00 0.64 0.00 0.00 57.07 58.58 2jtg s TYR 14 Cb -0.13 -3.93 -0.04 0.00 0.42 0.00 0.00 41.96 38.28 2jtg s TYR 14 CO -0.19 -1.18 -0.12 0.34 0.64 0.00 0.00 175.55 175.04 2jtg s ASP 15 N 6.81 4.26 0.55 4.32 2.15 -1.25 -4.49 116.67 129.03 2jtg s ASP 15 Ca 0.70 -0.43 0.22 0.00 0.43 0.00 0.00 52.55 53.47 2jtg s ASP 15 Cb -0.02 -0.76 1.51 0.00 -0.30 0.00 0.00 42.92 43.35 2jtg s ASP 15 CO 0.13 0.18 2.19 0.07 -0.17 0.00 0.00 175.17 177.56 2jtg h LYS 16 N 3.64 0.00 0.00 4.34 2.10 -2.02 -2.91 116.57 121.72 2jtg h LYS 16 Ca -0.49 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.12 2jtg h LYS 16 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2jtg h LYS 16 CO 0.50 0.00 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.22 2jtg h ASP 17 N 0.00 0.00 -2.96 7.07 5.19 -1.95 -3.44 116.42 120.33 2jtg h ASP 17 Ca 0.01 -0.46 -0.57 0.00 -0.62 0.00 0.00 57.03 55.39 2jtg h ASP 17 Cb 0.04 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 2jtg h ASP 17 CO -0.00 0.89 1.16 -0.75 -3.12 0.00 0.00 179.24 177.43 2jtg s LYS 18 N -2.04 3.51 0.00 3.56 2.47 -1.10 -4.87 119.74 121.27 2jtg s LYS 18 Ca -0.14 1.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.51 2jtg s LYS 18 Cb 0.00 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.28 2jtg s LYS 18 CO 0.39 -1.65 0.68 -0.35 0.16 0.00 0.00 175.35 174.58 2jtg n PRO 19 N 8.16 0.67 -2.36 4.03 -0.04 -1.26 -3.97 135.00 140.24 2jtg n PRO 19 Ca 0.19 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 2jtg n PRO 19 Cb 0.47 -1.16 -0.03 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 0.33 3.85 0.81 0.52 0.11 -1.26 -4.95 120.40 119.80 2jtg s VAL 20 Ca 0.00 -1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 57.58 2jtg s VAL 20 Cb 0.00 -4.89 0.08 0.00 -1.53 0.00 0.00 36.38 30.04 2jtg s VAL 20 CO 0.00 -1.58 1.09 -0.94 -3.33 0.00 0.00 175.10 170.34 2jtg s SER 21 N 5.35 4.25 0.09 3.54 1.04 -1.26 -4.65 113.70 122.06 2jtg s SER 21 Ca 0.59 1.53 0.09 0.00 0.48 0.00 0.00 55.95 58.65 2jtg s SER 21 Cb 0.01 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 2jtg s SER 21 CO 0.08 -2.16 -0.24 -0.36 0.98 0.00 0.00 173.24 171.54 2jtg s PHE 22 N -3.00 2.11 -0.05 5.02 0.40 -1.26 -1.30 117.98 119.90 2jtg s PHE 22 Ca 0.61 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 2jtg s PHE 22 Cb -0.16 -1.19 0.03 0.00 0.51 0.00 0.00 43.02 42.20 2jtg s PHE 22 CO 0.56 0.22 0.01 -1.01 0.70 0.00 0.00 175.22 175.70 2jtg s HIS 23 N -0.99 0.45 0.80 0.36 3.76 0.15 -4.96 115.29 114.87 2jtg s HIS 23 Ca 0.11 -0.04 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 2jtg s HIS 23 Cb -0.10 -0.59 0.08 0.00 1.11 0.00 0.00 32.58 33.08 2jtg s HIS 23 CO 0.04 -0.22 1.10 0.15 -0.85 0.00 0.00 174.74 174.96 2jtg s LYS 24 N 1.55 2.00 0.17 1.40 -0.14 -1.26 0.14 119.74 123.59 2jtg s LYS 24 Ca -0.02 1.20 -0.32 0.00 -1.36 0.00 0.00 55.97 55.47 2jtg s LYS 24 Cb -0.13 -1.86 -0.11 0.00 -1.68 0.00 0.00 37.83 34.05 2jtg s LYS 24 CO -0.03 -1.84 1.65 -0.06 -0.76 0.00 0.00 175.35 174.31 2jtg s PHE 25 N -2.87 2.89 0.27 3.18 0.40 -0.30 -4.72 117.98 116.83 2jtg s PHE 25 Ca 0.62 0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 57.31 2jtg s PHE 25 Cb -0.18 -4.03 -0.07 0.00 0.51 0.00 0.00 43.02 39.26 2jtg s PHE 25 CO 0.56 -3.89 0.60 -1.25 0.70 0.00 0.00 175.22 171.94 2jtg s PRO 26 N 1.39 3.78 -0.06 0.24 0.04 -1.26 -4.96 135.00 134.18 2jtg s PRO 26 Ca 0.73 0.28 0.13 0.00 0.04 0.00 0.00 61.00 62.18 2jtg s PRO 26 Cb -0.46 -2.59 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 2jtg s PRO 26 CO 0.32 0.23 0.20 1.28 0.04 0.00 0.00 177.00 179.07 2jtg n LEU 27 N -0.47 0.00 0.20 -3.56 4.77 -1.26 -4.44 117.00 112.24 2jtg n LEU 27 Ca 0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2jtg n LEU 27 Cb 0.53 0.12 0.41 0.00 -2.33 0.00 0.00 43.42 42.15 2jtg n LEU 27 CO 0.46 0.12 0.79 0.71 -1.33 0.00 0.00 177.39 178.14 2jtg h THR 28 N 0.00 1.22 -3.45 -5.08 1.35 -2.01 -3.35 112.91 101.59 2jtg h THR 28 Ca -0.14 -1.04 -0.73 0.00 -0.55 0.00 0.00 66.41 63.95 2jtg h THR 28 Cb 1.08 1.56 -0.30 0.00 -1.73 0.00 0.00 68.15 68.76 2jtg h THR 28 CO 0.01 0.30 -0.30 -0.60 -0.25 0.00 0.00 175.52 174.68 2jtg s ARG 29 N -4.35 2.70 0.00 4.72 3.00 -1.26 -4.97 118.95 118.79 2jtg s ARG 29 Ca -0.03 -2.08 0.00 0.00 -1.00 0.00 0.00 55.73 52.62 2jtg s ARG 29 Cb 0.15 -3.97 0.00 0.00 0.00 0.00 0.00 34.95 31.13 2jtg s ARG 29 CO 0.72 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.46 2jtg n PRO 30 N 4.40 0.00 -0.10 5.12 -0.04 -1.26 -3.19 135.00 139.94 2jtg n PRO 30 Ca -0.00 0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2jtg n PRO 30 Cb 0.41 -0.62 -0.01 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 -0.83 -0.54 3.54 4.64 -1.96 0.76 113.55 119.16 2jtg h SER 31 Ca 0.00 0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 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 0.36 0.25 -0.87 0.00 0.00 176.83 176.30 2jtg h LEU 32 N -0.21 0.53 -1.76 5.97 5.85 -1.97 -0.87 115.31 122.85 2jtg h LEU 32 Ca 0.17 -0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.15 2jtg h LEU 32 Cb 0.48 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2jtg h LEU 32 CO -0.47 0.37 0.68 0.00 -0.34 0.00 0.00 178.44 178.68 2jtg h LYS 34 N 0.17 0.53 -0.97 0.00 3.64 -0.65 0.87 116.57 120.17 2jtg h LYS 34 Ca 0.50 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.91 2jtg h LYS 34 Cb 1.67 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 33.31 2jtg h LYS 34 CO -0.10 0.35 0.62 0.93 -2.27 0.00 0.00 179.45 178.98 2jtg h GLU 35 N 0.55 1.09 -0.22 1.90 5.08 0.65 0.97 114.58 124.60 2jtg h GLU 35 Ca 0.49 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 2jtg h GLU 35 Cb 1.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2jtg h GLU 35 CO -0.23 0.72 0.15 -1.49 -1.00 0.00 0.00 179.01 177.16 2jtg h TRP 36 N 1.13 0.23 -0.75 4.33 4.06 0.74 0.16 115.95 125.84 2jtg h TRP 36 Ca 0.42 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.44 2jtg h TRP 36 Cb 0.17 -0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.20 2jtg h TRP 36 CO -0.01 0.14 0.49 0.93 -3.56 0.00 0.00 178.44 176.44 2jtg h GLU 37 N 0.24 0.77 -0.42 0.49 5.08 -0.45 0.29 114.58 120.59 2jtg h GLU 37 Ca 0.09 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2jtg h GLU 37 Cb 0.05 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2jtg h GLU 37 CO -0.02 0.51 0.23 0.00 -1.00 0.00 0.00 179.01 178.73 2jtg h ALA 38 N 1.59 1.61 -0.60 3.43 0.00 -0.62 0.18 119.26 124.85 2jtg h ALA 38 Ca 0.32 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.34 2jtg h ALA 38 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jtg h ALA 38 CO -0.11 0.33 0.57 0.00 0.00 0.00 0.00 179.25 180.04 2jtg h ALA 39 N 1.67 2.40 0.00 0.00 0.00 -0.29 -3.09 119.26 119.95 2jtg h ALA 39 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jtg h ALA 39 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jtg h ALA 39 CO -0.02 -0.88 -0.22 0.28 0.00 0.00 0.00 179.25 178.41 2jtg n VAL 40 N -3.83 0.37 0.00 0.00 0.31 -0.05 -4.35 118.33 110.77 2jtg n VAL 40 Ca 0.12 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 2jtg n VAL 40 Cb 0.80 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.95 0.00 0.00 5.55 3.00 -0.58 -4.72 116.66 116.96 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 0.11 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.15 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 -1.89 0.00 -1.21 -0.14 5.12 -1.26 -5.07 116.66 112.21 2jtg n ARG 42 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2jtg n ARG 42 Cb 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 32.46 31.41 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 1.37 1.81 -0.96 5.56 2.20 -1.26 -4.85 119.74 123.60 2jtg s LYS 43 Ca 0.00 1.05 -0.10 0.00 -0.36 0.00 0.00 55.97 56.56 2jtg s LYS 43 Cb 0.00 -1.85 -0.07 0.00 -1.51 0.00 0.00 37.83 34.39 2jtg s LYS 43 CO 0.00 -1.92 2.14 0.09 -0.36 0.00 0.00 175.35 175.29 2jtg n ASN 44 N -3.70 4.62 0.00 1.43 4.13 -1.26 -4.77 115.26 115.71 2jtg n ASN 44 Ca 0.08 -2.45 0.00 0.00 1.68 0.00 0.00 54.58 53.89 2jtg n ASN 44 Cb 0.54 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 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 5.01 0.00 -1.54 3.10 -1.74 -1.26 -4.59 117.46 116.44 2jtg n PHE 45 Ca 0.49 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.97 2jtg n PHE 45 Cb 0.21 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.16 2jtg n PHE 45 CO 0.00 0.00 0.00 1.17 -0.56 0.00 0.00 176.76 177.37 2jtg n LYS 46 N 0.00 1.06 0.00 3.97 3.00 -1.26 -4.65 118.16 120.28 2jtg n LYS 46 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2jtg n LYS 46 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 35.03 32.03 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 8.78 0.00 0.11 1.64 -0.02 -1.26 -0.94 135.00 143.30 2jtg n PRO 47 Ca 0.40 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 62.03 2jtg n PRO 47 Cb 0.41 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.85 0.00 3.45 1.03 -1.96 -3.30 112.91 112.98 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 0.08 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.01 2jtg h THR 48 CO 0.00 0.00 -0.45 0.29 -0.01 0.00 0.00 175.52 175.35 2jtg n LYS 49 N -5.18 2.28 0.22 0.00 5.02 -1.12 -4.77 118.16 114.61 2jtg n LYS 49 Ca -0.08 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.32 2jtg n LYS 49 Cb 0.11 -0.72 0.26 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.01 2.13 0.05 -1.26 -3.42 116.97 114.47 2jtg h TYR 50 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2jtg h TYR 50 Cb 0.30 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.10 2jtg h TYR 50 CO 0.00 0.09 0.83 0.45 -1.05 0.00 0.00 178.16 178.48 2jtg n SER 51 N -3.14 -0.20 -3.62 3.88 2.88 -1.17 -4.40 113.62 107.85 2jtg n SER 51 Ca 0.03 -1.45 -0.04 0.00 -1.33 0.00 0.00 58.87 56.07 2jtg n SER 51 Cb 0.51 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 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 4.58 -0.13 0.09 -3.46 1.04 -1.26 -1.15 113.70 113.41 2jtg s SER 52 Ca 0.31 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.90 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 0.14 -0.12 -0.09 -0.63 0.98 0.00 0.00 173.24 173.52 2jtg s ILE 53 N -1.13 0.85 0.27 -1.02 -1.09 0.37 -2.09 121.20 117.36 2jtg s ILE 53 Ca 0.06 -1.67 0.08 0.00 -2.23 0.00 0.00 60.65 56.89 2jtg s ILE 53 Cb -0.01 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 2jtg s ILE 53 CO -0.05 -0.63 0.12 0.00 -1.23 0.00 0.00 174.94 173.15 2jtg h SER 55 N 1.63 0.96 -1.32 0.00 0.02 -1.48 -3.04 113.55 110.31 2jtg h SER 55 Ca -0.46 0.00 0.38 0.00 -0.84 0.00 0.00 61.79 60.87 2jtg h SER 55 Cb 1.24 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 2jtg h SER 55 CO 0.61 0.63 1.27 -0.62 -1.14 0.00 0.00 176.83 177.57 2jtg n GLU 56 N -4.48 0.01 -0.01 3.45 1.02 -1.26 0.11 120.64 119.49 2jtg n GLU 56 Ca 0.14 1.02 0.09 0.00 -0.02 0.00 0.00 57.16 58.39 2jtg n GLU 56 Cb 0.17 -2.49 -0.13 0.00 -0.02 0.00 0.00 31.44 28.96 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 -3.43 0.00 -3.01 -0.32 8.25 -1.15 -4.98 115.22 110.59 2jtg n HIS 57 Ca 0.30 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.48 2jtg n HIS 57 Cb 1.67 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 32.49 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 -3.12 3.51 0.12 4.41 0.08 0.30 -3.50 117.98 119.78 2jtg s PHE 58 Ca -0.01 0.75 -0.17 0.00 0.12 0.00 0.00 56.93 57.62 2jtg s PHE 58 Cb 0.13 -2.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 2jtg s PHE 58 CO 0.79 -0.04 0.56 0.95 -0.10 0.00 0.00 175.22 177.38 2jtg s THR 59 N -2.39 4.80 0.31 0.64 -4.23 -1.26 -4.97 115.64 108.54 2jtg s THR 59 Ca 0.46 1.01 0.06 0.00 -1.18 0.00 0.00 61.69 62.04 2jtg s THR 59 Cb -0.10 -3.80 0.30 0.00 1.34 0.00 0.00 72.50 70.24 2jtg s THR 59 CO 0.36 0.37 1.80 -0.65 -0.54 0.00 0.00 174.62 175.96 2jtg h PRO 60 N 3.95 0.77 0.00 3.99 0.11 -1.98 0.23 132.00 139.07 2jtg h PRO 60 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 2jtg h PRO 60 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2jtg h PRO 60 CO 0.65 0.51 -0.24 0.22 -0.21 0.00 0.00 178.00 178.92 2jtg h ASP 61 N 0.79 0.00 -0.00 -2.05 3.58 -1.96 -1.69 116.42 115.09 2jtg h ASP 61 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 2jtg h ASP 61 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2jtg h ASP 61 CO -0.33 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.27 2jtg n PHE 63 N -0.85 2.06 -3.21 0.00 3.01 -0.63 -4.25 117.46 113.58 2jtg n PHE 63 Ca 0.23 -1.68 0.01 0.00 1.01 0.00 0.00 57.45 57.02 2jtg n PHE 63 Cb 0.14 -0.71 -0.01 0.00 -0.01 0.00 0.00 39.48 38.89 2jtg n PHE 63 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2jtg s LYS 64 N -3.25 0.81 0.18 -1.08 0.00 -1.23 -4.81 119.74 110.36 2jtg s LYS 64 Ca 0.51 -0.25 0.11 0.00 0.00 0.00 0.00 55.97 56.34 2jtg s LYS 64 Cb 0.44 0.10 -0.04 0.00 0.00 0.00 0.00 37.83 38.33 2jtg s LYS 64 CO 0.06 -1.18 -0.24 1.03 0.00 0.00 0.00 175.35 175.02 2jtg s ARG 65 N 1.86 1.53 -0.23 1.78 3.00 -1.26 -5.03 118.95 120.60 2jtg s ARG 65 Ca 0.16 -1.48 0.08 0.00 0.00 0.00 0.00 55.73 54.49 2jtg s ARG 65 Cb -0.04 -1.88 0.57 0.00 0.00 0.00 0.00 34.95 33.60 2jtg s ARG 65 CO -0.07 0.41 1.52 -1.91 0.00 0.00 0.00 175.30 175.25 2jtg n GLU 66 N 0.38 3.18 -0.52 3.54 0.00 -1.26 -4.27 120.64 121.70 2jtg n GLU 66 Ca -0.13 -2.30 -0.04 0.00 0.00 0.00 0.00 57.16 54.69 2jtg n GLU 66 Cb 0.55 -2.00 0.02 0.00 0.00 0.00 0.00 31.44 30.02 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 -0.17 0.06 -3.71 0.00 -0.00 -2.00 -3.41 115.58 106.35 2jtg h ASN 68 Ca -0.05 0.02 -0.47 0.00 -0.00 0.00 0.00 56.30 55.79 2jtg h ASN 68 Cb 0.16 0.01 -0.14 0.00 -0.00 0.00 0.00 38.32 38.35 2jtg h ASN 68 CO 0.04 -0.00 -0.56 0.21 -0.00 0.00 0.00 177.43 177.12 2jtg s ASN 69 N -4.90 2.18 -0.16 1.15 3.84 -1.26 -5.06 114.94 110.72 2jtg s ASN 69 Ca -0.06 -1.53 0.17 0.00 0.21 0.00 0.00 52.86 51.66 2jtg s ASN 69 Cb 0.24 0.27 0.38 0.00 -0.55 0.00 0.00 41.25 41.59 2jtg s ASN 69 CO 0.82 -0.80 1.24 2.29 -2.79 0.00 0.00 177.10 177.86 2jtg n LYS 70 N -0.71 1.73 -4.53 0.43 0.00 -1.26 -4.48 118.16 109.33 2jtg n LYS 70 Ca -0.03 -2.77 -0.27 0.00 -0.00 0.00 0.00 58.31 55.24 2jtg n LYS 70 Cb 0.66 -1.62 -0.10 0.00 -0.00 0.00 0.00 35.03 33.97 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 -2.94 2.87 0.00 -5.58 1.43 -1.26 -3.90 118.68 109.30 2jtg s LEU 71 Ca 0.36 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 2jtg s LEU 71 Cb 0.31 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2jtg s LEU 71 CO 0.03 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.23 2jtg n LEU 72 N -0.95 0.00 0.00 1.79 -0.00 -1.26 -4.83 117.00 111.76 2jtg n LEU 72 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.81 2jtg n LEU 72 Cb 0.65 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.16 2jtg n LEU 72 CO 0.47 0.00 0.39 0.29 -0.00 0.00 0.00 177.39 178.54 2jtg n LYS 73 N 0.00 -0.02 -0.50 1.47 4.76 -1.26 -4.76 118.16 117.85 2jtg n LYS 73 Ca 0.00 -1.65 0.42 0.00 -2.87 0.00 0.00 58.31 54.21 2jtg n LYS 73 Cb 0.00 -0.50 0.74 0.00 -1.84 0.00 0.00 35.03 33.43 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 0.04 -0.18 1.97 4.57 -1.98 1.15 114.58 120.15 2jtg h GLU 74 Ca -0.22 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 2jtg h GLU 74 Cb 0.77 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2jtg h GLU 74 CO 0.22 0.03 -0.51 -0.91 -1.18 0.00 0.00 179.01 176.66 2jtg h ASN 75 N 0.04 0.76 -0.52 1.04 2.35 -1.94 -3.47 115.58 113.84 2jtg h ASN 75 Ca 0.77 -0.58 -0.31 0.00 -0.55 0.00 0.00 56.30 55.62 2jtg h ASN 75 Cb 2.87 -0.22 0.06 0.00 0.05 0.00 0.00 38.32 41.08 2jtg h ASN 75 CO -0.11 1.21 -0.28 0.00 -1.65 0.00 0.00 177.43 176.59 2jtg n ALA 76 N -2.55 -1.92 -3.64 -0.83 0.00 0.40 -4.99 120.51 106.97 2jtg n ALA 76 Ca -0.06 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2jtg n ALA 76 Cb 0.60 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.52 0.00 -0.17 0.00 1.01 -1.26 -4.90 120.40 114.55 2jtg s VAL 77 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2jtg s VAL 77 Cb -0.42 -1.00 0.18 0.00 0.00 0.00 0.00 36.38 35.14 2jtg s VAL 77 CO 0.27 0.00 1.58 -0.81 0.00 0.00 0.00 175.10 176.14 2jtg n PRO 78 N 2.07 1.44 0.00 2.72 -0.04 -1.26 -4.07 135.00 135.86 2jtg n PRO 78 Ca -0.12 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 2jtg n PRO 78 Cb 0.56 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.30 0.00 -0.49 0.52 -2.24 -1.23 -0.42 114.28 110.72 2jtg n THR 79 Ca 0.19 0.00 0.41 0.00 -2.27 0.00 0.00 64.05 62.38 2jtg n THR 79 Cb 0.74 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.84 0.49 0.00 0.00 0.00 178.15 177.80 2jtg n PHE 81 N -4.69 0.00 -1.61 1.37 3.01 0.43 -5.01 117.46 110.96 2jtg n PHE 81 Ca 0.41 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.49 2jtg n PHE 81 Cb 1.59 -0.05 0.06 0.00 -0.01 0.00 0.00 39.48 41.08 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 -1.44 4.32 -0.07 4.37 7.94 0.28 -4.75 117.00 127.64 2jtg n LEU 82 Ca 0.02 0.78 -0.08 0.00 -1.11 0.00 0.00 56.01 55.62 2jtg n LEU 82 Cb 0.25 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 42.75 2jtg n LEU 82 CO 0.30 -1.68 0.66 1.05 -1.11 0.00 0.00 177.39 176.61 2jtg h GLU 83 N 0.35 -0.27 -2.06 1.96 9.09 -1.95 -3.45 114.58 118.25 2jtg h GLU 83 Ca -0.49 0.02 -0.06 0.00 0.05 0.00 0.00 59.36 58.88 2jtg h GLU 83 Cb 1.36 0.06 -0.19 0.00 -1.65 0.00 0.00 28.75 28.33 2jtg h GLU 83 CO 0.51 -0.18 0.19 -0.48 0.05 0.00 0.00 179.01 179.10 2jtg s LEU 84 N -10.53 -0.65 -0.12 3.06 2.34 -1.26 -5.16 118.68 106.35 2jtg s LEU 84 Ca -0.15 0.67 0.01 0.00 0.06 0.00 0.00 54.13 54.73 2jtg s LEU 84 Cb 0.12 2.54 -0.01 0.00 -0.56 0.00 0.00 46.19 48.29 2jtg s LEU 84 CO 0.68 -0.63 -0.17 0.68 -1.06 0.00 0.00 176.35 175.84 2jtg s VAL 85 N -1.35 2.69 0.03 1.48 -7.23 -1.26 -5.09 120.40 109.68 2jtg s VAL 85 Ca -0.10 -0.79 -0.32 0.00 -1.81 0.00 0.00 61.98 58.96 2jtg s VAL 85 Cb -0.00 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.73 2jtg s VAL 85 CO 0.09 0.54 1.88 -2.65 -0.31 0.00 0.00 175.10 174.64 2jtg n PRO 86 N 3.55 2.57 0.00 4.82 -0.02 -1.26 -5.26 135.00 139.40 2jtg n PRO 86 Ca -0.18 0.94 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 2jtg n PRO 86 Cb 0.53 -2.83 0.28 0.00 -0.02 0.00 0.00 33.50 31.46 2jtg n PRO 86 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37