#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 -3.64 1.12 0.24 -1.26 -4.99 118.33 111.58 2jtg n VAL 2 Ca 0.00 -1.83 -0.04 0.00 -2.04 0.00 0.00 64.34 60.42 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 0.28 0.41 7.34 2.00 -1.26 -4.59 119.66 121.45 2jtg s GLN 3 Ca 0.29 0.38 0.08 0.00 -2.00 0.00 0.00 55.36 54.11 2jtg s GLN 3 Cb 0.24 0.11 0.01 0.00 0.80 0.00 0.00 33.01 34.17 2jtg s GLN 3 CO 0.06 -0.04 0.55 -1.54 -0.50 0.00 0.00 175.29 173.82 2jtg s SER 4 N 0.51 5.71 0.30 6.67 1.04 -1.26 -4.36 113.70 122.31 2jtg s SER 4 Ca 0.00 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.11 2jtg s SER 4 Cb -0.04 -0.77 -0.03 0.00 0.10 0.00 0.00 66.02 65.27 2jtg s SER 4 CO -0.11 -0.70 0.22 0.00 0.98 0.00 0.00 173.24 173.62 2jtg h SER 6 N 2.24 0.58 -1.27 0.00 0.87 -1.59 -3.45 113.55 110.92 2jtg h SER 6 Ca -0.29 -0.53 -0.76 0.00 -1.23 0.00 0.00 61.79 58.97 2jtg h SER 6 Cb 1.24 -0.17 0.04 0.00 -0.44 0.00 0.00 62.40 63.08 2jtg h SER 6 CO 0.44 1.00 0.36 0.00 -0.53 0.00 0.00 176.83 178.10 2jtg n ALA 7 N -2.49 -2.11 -2.00 6.23 0.00 -1.26 -4.85 120.51 114.03 2jtg n ALA 7 Ca -0.06 0.54 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 2jtg n ALA 7 Cb 0.47 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.96 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 0.96 3.14 -1.35 0.00 5.04 -1.26 -3.23 117.35 120.65 2jtg s TYR 8 Ca 0.92 0.92 -0.01 0.00 -2.44 0.00 0.00 57.07 56.45 2jtg s TYR 8 Cb -1.18 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 37.36 2jtg s TYR 8 CO 0.58 -2.68 0.66 0.41 -1.34 0.00 0.00 175.55 173.18 2jtg n GLY 9 N 3.08 -0.29 3.89 8.97 0.00 -1.26 -4.97 105.19 114.61 2jtg n GLY 9 Ca 0.10 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.56 1.70 -1.03 0.00 3.00 -1.26 -5.04 118.16 112.98 2jtg n LYS 11 Ca 0.04 -3.22 -0.30 0.00 -0.00 0.00 0.00 58.31 54.83 2jtg n LYS 11 Cb 0.55 -1.70 0.16 0.00 0.00 0.00 0.00 35.03 34.04 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 -2.92 2.97 -0.30 3.14 2.20 -1.26 -4.89 114.94 113.87 2jtg s ASN 12 Ca 0.40 1.58 -0.06 0.00 -0.94 0.00 0.00 52.86 53.84 2jtg s ASN 12 Cb 0.38 -2.24 0.16 0.00 -2.00 0.00 0.00 41.25 37.56 2jtg s ASN 12 CO -0.04 -2.97 0.68 0.00 -2.94 0.00 0.00 177.10 171.84 2jtg s ARG 13 N -4.82 0.52 -1.12 3.55 3.03 -1.26 -3.98 118.95 114.87 2jtg s ARG 13 Ca 0.65 1.11 -0.19 0.00 2.03 0.00 0.00 55.73 59.33 2jtg s ARG 13 Cb -0.20 0.65 0.09 0.00 -1.03 0.00 0.00 34.95 34.46 2jtg s ARG 13 CO 0.58 -0.39 1.48 -0.47 -1.13 0.00 0.00 175.30 175.38 2jtg s TYR 14 N 2.85 2.86 0.11 5.89 6.14 -1.26 -4.64 117.35 129.29 2jtg s TYR 14 Ca 0.07 -1.38 0.07 0.00 0.64 0.00 0.00 57.07 56.47 2jtg s TYR 14 Cb -0.13 -4.59 -0.03 0.00 0.42 0.00 0.00 41.96 37.63 2jtg s TYR 14 CO -0.19 -1.74 -0.17 0.34 0.64 0.00 0.00 175.55 174.43 2jtg s ASP 15 N 4.18 2.14 0.56 4.32 2.15 -1.26 -4.80 116.67 123.97 2jtg s ASP 15 Ca 0.46 -0.72 0.23 0.00 0.43 0.00 0.00 52.55 52.95 2jtg s ASP 15 Cb 0.00 -0.09 1.54 0.00 -0.30 0.00 0.00 42.92 44.07 2jtg s ASP 15 CO -0.03 -0.05 2.18 0.07 -0.17 0.00 0.00 175.17 177.17 2jtg h LYS 16 N 3.89 0.00 0.00 4.34 2.10 -1.96 -2.82 116.57 122.12 2jtg h LYS 16 Ca -0.42 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.20 2jtg h LYS 16 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2jtg h LYS 16 CO 0.44 0.00 -0.17 -0.44 -2.00 0.00 0.00 179.45 177.28 2jtg h ASP 17 N 0.00 0.00 -2.10 7.07 3.32 -1.96 -3.44 116.42 119.30 2jtg h ASP 17 Ca 0.02 -0.43 -0.57 0.00 0.02 0.00 0.00 57.03 56.07 2jtg h ASP 17 Cb 0.11 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2jtg h ASP 17 CO -0.00 0.81 1.38 1.17 -1.72 0.00 0.00 179.24 180.88 2jtg n LYS 18 N -4.66 2.30 -0.09 3.56 3.00 -1.07 -4.82 118.16 116.38 2jtg n LYS 18 Ca -0.08 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 2jtg n LYS 18 Cb 0.28 -3.12 0.00 0.00 0.00 0.00 0.00 35.03 32.19 2jtg n LYS 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jtg n PRO 19 N 8.21 0.52 -3.90 1.64 -0.04 -1.26 -4.32 135.00 135.85 2jtg n PRO 19 Ca 0.26 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.37 2jtg n PRO 19 Cb 0.42 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.65 4.91 0.33 0.52 0.11 -1.26 -5.03 120.40 120.63 2jtg s VAL 20 Ca 0.00 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.15 2jtg s VAL 20 Cb 0.00 -3.23 -0.05 0.00 -1.53 0.00 0.00 36.38 31.57 2jtg s VAL 20 CO 0.00 0.43 0.04 -0.94 -3.33 0.00 0.00 175.10 171.30 2jtg s SER 21 N 0.59 4.34 0.07 3.54 1.04 -1.26 -4.64 113.70 117.38 2jtg s SER 21 Ca 0.05 -0.89 0.09 0.00 0.48 0.00 0.00 55.95 55.67 2jtg s SER 21 Cb -0.13 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.35 2jtg s SER 21 CO 0.01 -0.21 -0.24 -0.36 0.98 0.00 0.00 173.24 173.41 2jtg s PHE 22 N -2.47 2.11 -0.06 5.02 0.40 -1.26 -1.29 117.98 120.42 2jtg s PHE 22 Ca 0.35 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2jtg s PHE 22 Cb -0.02 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.32 2jtg s PHE 22 CO 0.20 0.18 -0.01 -1.01 0.70 0.00 0.00 175.22 175.28 2jtg s HIS 23 N -0.91 0.68 0.68 0.36 3.76 0.12 -4.96 115.29 115.02 2jtg s HIS 23 Ca 0.10 -0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 54.69 2jtg s HIS 23 Cb -0.10 -0.75 0.01 0.00 1.11 0.00 0.00 32.58 32.85 2jtg s HIS 23 CO 0.03 -0.28 1.11 0.15 -0.85 0.00 0.00 174.74 174.89 2jtg s LYS 24 N 1.63 2.71 0.10 1.40 -0.14 -1.26 0.13 119.74 124.31 2jtg s LYS 24 Ca -0.00 1.35 -0.33 0.00 -1.36 0.00 0.00 55.97 55.63 2jtg s LYS 24 Cb -0.13 -1.94 -0.12 0.00 -1.68 0.00 0.00 37.83 33.95 2jtg s LYS 24 CO -0.04 -1.31 1.72 1.19 -0.76 0.00 0.00 175.35 176.15 2jtg n PHE 25 N -2.61 2.40 -2.82 3.18 3.01 -0.40 -4.77 117.46 115.45 2jtg n PHE 25 Ca 0.10 0.09 -0.28 0.00 1.01 0.00 0.00 57.45 58.37 2jtg n PHE 25 Cb 0.52 -2.63 -0.01 0.00 -0.01 0.00 0.00 39.48 37.35 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 2.11 3.60 -0.08 -1.08 0.04 -1.26 -4.97 135.00 133.37 2jtg s PRO 26 Ca 0.83 0.20 0.09 0.00 0.04 0.00 0.00 61.00 62.15 2jtg s PRO 26 Cb -0.62 -2.43 -0.12 0.00 0.04 0.00 0.00 34.50 31.36 2jtg s PRO 26 CO 0.41 -0.09 0.07 1.47 0.04 0.00 0.00 177.00 178.89 2jtg n LEU 27 N -1.85 0.00 0.23 -3.56 -0.00 -1.26 -4.50 117.00 106.05 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 0.18 0.52 0.00 -0.00 0.00 0.00 43.42 44.67 2jtg n LEU 27 CO 0.51 0.18 0.90 0.71 -0.00 0.00 0.00 177.39 179.69 2jtg h THR 28 N 0.00 1.07 -3.54 1.47 1.35 -2.00 -3.33 112.91 107.93 2jtg h THR 28 Ca -0.20 -0.65 -0.73 0.00 -0.55 0.00 0.00 66.41 64.28 2jtg h THR 28 Cb 1.35 1.35 -0.31 0.00 -1.73 0.00 0.00 68.15 68.81 2jtg h THR 28 CO 0.01 0.18 -0.25 -0.60 -0.25 0.00 0.00 175.52 174.61 2jtg s ARG 29 N -4.57 2.81 0.00 4.72 3.00 -1.26 -4.96 118.95 118.69 2jtg s ARG 29 Ca -0.04 -2.26 0.00 0.00 -1.00 0.00 0.00 55.73 52.43 2jtg s ARG 29 Cb 0.15 -3.98 0.00 0.00 0.00 0.00 0.00 34.95 31.13 2jtg s ARG 29 CO 0.69 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.42 2jtg n PRO 30 N 4.08 0.00 -0.09 5.12 -0.04 -1.25 -3.13 135.00 139.68 2jtg n PRO 30 Ca 0.04 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 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 -0.57 3.54 4.64 -1.95 0.74 113.55 119.30 2jtg h SER 31 Ca 0.00 0.14 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2jtg h SER 31 Cb 0.00 0.34 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 2jtg h SER 31 CO 0.00 -0.23 0.38 0.25 -0.87 0.00 0.00 176.83 176.37 2jtg h LEU 32 N -0.14 0.54 -1.82 5.97 5.85 -1.98 -0.75 115.31 122.98 2jtg h LEU 32 Ca 0.17 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.12 2jtg h LEU 32 Cb 0.41 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2jtg h LEU 32 CO -0.43 0.37 0.61 0.00 -0.34 0.00 0.00 178.44 178.65 2jtg h LYS 34 N 0.15 0.53 -0.99 0.00 3.11 -0.62 0.82 116.57 119.57 2jtg h LYS 34 Ca 0.44 -0.03 0.05 0.00 -2.81 0.00 0.00 60.65 58.30 2jtg h LYS 34 Cb 1.49 -0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 32.54 2jtg h LYS 34 CO -0.07 0.35 0.64 0.93 -2.81 0.00 0.00 179.45 178.49 2jtg h GLU 35 N 0.55 1.16 -0.01 1.90 5.08 -0.04 0.67 114.58 123.88 2jtg h GLU 35 Ca 0.49 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2jtg h GLU 35 Cb 1.02 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jtg h GLU 35 CO -0.23 0.77 0.01 -1.49 -1.00 0.00 0.00 179.01 177.07 2jtg h TRP 36 N 1.20 0.00 -0.74 4.33 4.06 0.63 0.95 115.95 126.36 2jtg h TRP 36 Ca 0.41 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.42 2jtg h TRP 36 Cb 0.09 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.21 2jtg h TRP 36 CO -0.00 0.00 0.49 0.93 -3.56 0.00 0.00 178.44 176.30 2jtg h GLU 37 N 0.00 0.78 -0.26 0.49 5.08 -0.56 0.26 114.58 120.37 2jtg h GLU 37 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2jtg h GLU 37 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2jtg h GLU 37 CO -0.00 0.52 0.10 0.00 -1.00 0.00 0.00 179.01 178.63 2jtg h ALA 38 N 1.59 1.70 -0.47 3.43 0.00 -0.80 0.13 119.26 124.84 2jtg h ALA 38 Ca 0.32 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2jtg h ALA 38 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jtg h ALA 38 CO -0.11 0.24 0.44 0.00 0.00 0.00 0.00 179.25 179.83 2jtg h ALA 39 N 1.76 2.24 0.00 0.00 0.00 -0.44 -3.18 119.26 119.64 2jtg h ALA 39 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jtg h ALA 39 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jtg h ALA 39 CO -0.01 -0.68 -0.22 0.28 0.00 0.00 0.00 179.25 178.61 2jtg n VAL 40 N -3.88 0.35 0.00 0.00 0.31 -0.08 -4.32 118.33 110.71 2jtg n VAL 40 Ca 0.09 0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 2jtg n VAL 40 Cb 0.64 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 -0.52 -4.69 116.66 117.05 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 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.13 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 -1.74 2.60 -1.16 -0.14 1.74 -1.26 -5.05 116.66 111.65 2jtg n ARG 42 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 2jtg n ARG 42 Cb 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.48 2jtg n ARG 42 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2jtg n LYS 43 N 0.00 0.07 -1.59 5.56 3.00 -1.26 -4.62 118.16 119.33 2jtg n LYS 43 Ca 0.00 0.04 -0.15 0.00 -0.00 0.00 0.00 58.31 58.19 2jtg n LYS 43 Cb 0.00 -1.25 -0.12 0.00 0.00 0.00 0.00 35.03 33.66 2jtg n LYS 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jtg n ASN 44 N 1.93 1.41 0.00 3.14 3.02 -1.26 -4.72 115.26 118.78 2jtg n ASN 44 Ca 0.05 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 2jtg n ASN 44 Cb 0.51 -1.72 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 2jtg n ASN 44 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2jtg n PHE 45 N 19.66 0.00 -2.13 3.10 -1.74 -1.26 -4.74 117.46 130.34 2jtg n PHE 45 Ca 0.41 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.88 2jtg n PHE 45 Cb 0.47 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.44 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 3.78 0.00 3.97 2.20 -1.26 -4.74 119.74 123.68 2jtg s LYS 46 Ca 0.00 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 2jtg s LYS 46 Cb 0.00 -4.03 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2jtg s LYS 46 CO 0.00 -1.31 0.37 -2.30 -0.36 0.00 0.00 175.35 171.75 2jtg n PRO 47 N 7.68 0.00 0.36 4.03 -0.02 -1.26 -1.77 135.00 144.01 2jtg n PRO 47 Ca 0.19 0.03 -0.18 0.00 -2.02 0.00 0.00 63.50 61.52 2jtg n PRO 47 Cb 0.45 -1.51 -0.09 0.00 -0.02 0.00 0.00 33.50 32.33 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 0.35 0.00 3.45 1.03 -1.96 -3.34 112.91 112.44 2jtg h THR 48 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 2jtg h THR 48 Cb 0.03 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.47 2jtg h THR 48 CO 0.00 0.01 -0.45 0.29 -0.01 0.00 0.00 175.52 175.36 2jtg n LYS 49 N -5.46 3.19 0.21 0.00 5.02 -1.15 -4.77 118.16 115.21 2jtg n LYS 49 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2jtg n LYS 49 Cb 0.36 -0.72 0.17 0.00 -0.02 0.00 0.00 35.03 34.82 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 -3.41 116.97 114.17 2jtg h TYR 50 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 2jtg h TYR 50 Cb 0.04 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.81 2jtg h TYR 50 CO 0.00 0.00 1.24 0.43 -1.05 0.00 0.00 178.16 178.78 2jtg n SER 51 N -3.05 0.67 -3.62 3.88 7.64 -1.23 -4.31 113.62 113.60 2jtg n SER 51 Ca 0.04 -2.13 -0.04 0.00 1.01 0.00 0.00 58.87 57.75 2jtg n SER 51 Cb 0.53 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2jtg n SER 51 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jtg s SER 52 N 5.20 -0.11 0.10 6.43 1.04 -1.26 -1.27 113.70 123.82 2jtg s SER 52 Ca 0.17 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.72 2jtg s SER 52 Cb 0.04 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 2jtg s SER 52 CO 0.06 -0.14 -0.10 -0.63 0.98 0.00 0.00 173.24 173.41 2jtg s ILE 53 N -1.50 0.97 0.16 -1.02 -1.09 0.36 -1.99 121.20 117.09 2jtg s ILE 53 Ca 0.08 -1.68 0.06 0.00 -2.23 0.00 0.00 60.65 56.88 2jtg s ILE 53 Cb -0.01 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2jtg s ILE 53 CO -0.05 -0.57 0.04 0.00 -1.23 0.00 0.00 174.94 173.13 2jtg h SER 55 N 2.68 0.79 -1.30 0.00 0.02 -1.56 -2.79 113.55 111.39 2jtg h SER 55 Ca -0.47 0.08 0.38 0.00 -0.84 0.00 0.00 61.79 60.94 2jtg h SER 55 Cb 1.20 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 2jtg h SER 55 CO 0.60 0.31 1.25 -0.62 -1.14 0.00 0.00 176.83 177.22 2jtg n GLU 56 N -4.72 0.01 -0.01 3.45 1.02 -1.26 0.11 120.64 119.25 2jtg n GLU 56 Ca 0.22 1.00 0.10 0.00 -0.02 0.00 0.00 57.16 58.46 2jtg n GLU 56 Cb 0.54 -2.43 -0.14 0.00 -0.02 0.00 0.00 31.44 29.38 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 -3.39 0.00 -2.78 -0.32 8.25 -1.05 -4.97 115.22 110.96 2jtg n HIS 57 Ca 0.29 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.45 2jtg n HIS 57 Cb 1.64 -0.33 -0.03 0.00 1.12 0.00 0.00 29.99 32.38 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 -3.24 3.46 0.26 4.41 0.08 0.31 -3.45 117.98 119.81 2jtg s PHE 58 Ca -0.03 1.14 -0.27 0.00 0.12 0.00 0.00 56.93 57.89 2jtg s PHE 58 Cb 0.13 -2.52 -0.09 0.00 -0.57 0.00 0.00 43.02 39.97 2jtg s PHE 58 CO 0.83 -0.15 0.89 0.95 -0.10 0.00 0.00 175.22 177.64 2jtg s THR 59 N -2.40 4.23 0.29 0.64 -4.23 -1.25 -4.96 115.64 107.96 2jtg s THR 59 Ca 0.53 1.83 0.04 0.00 -1.18 0.00 0.00 61.69 62.91 2jtg s THR 59 Cb -0.10 -4.12 0.29 0.00 1.34 0.00 0.00 72.50 69.91 2jtg s THR 59 CO 0.30 0.33 1.80 -0.65 -0.54 0.00 0.00 174.62 175.86 2jtg h PRO 60 N 3.71 0.83 -0.07 3.99 0.11 -1.97 0.05 132.00 138.65 2jtg h PRO 60 Ca -0.46 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.62 2jtg h PRO 60 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jtg h PRO 60 CO 0.66 0.55 0.06 0.22 -0.21 0.00 0.00 178.00 179.28 2jtg h ASP 61 N 0.86 0.00 -0.01 -2.05 3.58 -2.03 0.12 116.42 116.89 2jtg h ASP 61 Ca 0.54 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2jtg h ASP 61 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2jtg h ASP 61 CO -0.33 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.03 2jtg n PHE 63 N -0.64 3.11 -0.30 0.00 3.01 0.42 -4.60 117.46 118.46 2jtg n PHE 63 Ca 0.21 -2.68 0.10 0.00 1.01 0.00 0.00 57.45 56.09 2jtg n PHE 63 Cb 0.17 -0.72 0.33 0.00 -0.01 0.00 0.00 39.48 39.26 2jtg n PHE 63 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2jtg h LYS 64 N 2.49 0.77 -1.72 -1.08 2.10 -1.73 -1.54 116.57 115.86 2jtg h LYS 64 Ca 0.45 -0.05 -0.72 0.00 -2.00 0.00 0.00 60.65 58.34 2jtg h LYS 64 Cb 0.79 -0.17 -0.30 0.00 -0.90 0.00 0.00 32.23 31.64 2jtg h LYS 64 CO 1.14 0.51 0.67 0.54 -2.00 0.00 0.00 179.45 180.31 2jtg n ARG 65 N -4.58 2.89 -1.52 0.07 1.74 -1.26 -4.99 116.66 109.01 2jtg n ARG 65 Ca 0.18 -3.68 -0.31 0.00 -0.77 0.00 0.00 57.85 53.27 2jtg n ARG 65 Cb 0.43 -2.27 -0.14 0.00 -1.02 0.00 0.00 32.46 29.46 2jtg n ARG 65 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2jtg n GLU 66 N -0.59 0.29 -2.62 5.56 0.28 -0.58 -4.73 120.64 118.25 2jtg n GLU 66 Ca 0.52 -0.12 -0.01 0.00 -0.16 0.00 0.00 57.16 57.39 2jtg n GLU 66 Cb 0.39 -2.08 0.01 0.00 1.43 0.00 0.00 31.44 31.19 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jtg h ASN 68 N 0.92 0.00 -2.05 0.00 -1.24 -2.01 -3.44 115.58 107.76 2jtg h ASN 68 Ca -0.12 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.68 2jtg h ASN 68 Cb 0.56 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.73 2jtg h ASN 68 CO 0.17 0.18 -0.10 -0.46 -1.29 0.00 0.00 177.43 175.92 2jtg n ASN 69 N -4.03 -3.16 -4.70 1.15 0.23 -1.26 -4.91 115.26 98.58 2jtg n ASN 69 Ca -0.02 -0.50 -0.41 0.00 -0.53 0.00 0.00 54.58 53.11 2jtg n ASN 69 Cb 0.26 -0.71 -0.03 0.00 -2.08 0.00 0.00 39.78 37.22 2jtg n ASN 69 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jtg s LYS 70 N -3.75 4.47 -0.36 -3.83 2.36 -1.26 -5.02 119.74 112.35 2jtg s LYS 70 Ca 0.38 1.23 -0.00 0.00 -2.55 0.00 0.00 55.97 55.03 2jtg s LYS 70 Cb -0.07 -3.48 0.13 0.00 -1.05 0.00 0.00 37.83 33.35 2jtg s LYS 70 CO 0.32 -0.10 0.19 -0.51 1.55 0.00 0.00 175.35 176.80 2jtg s LEU 71 N 1.27 1.57 -0.34 5.43 1.43 -1.26 -4.93 118.68 121.84 2jtg s LEU 71 Ca 0.46 -2.08 0.04 0.00 -1.03 0.00 0.00 54.13 51.52 2jtg s LEU 71 Cb -0.19 -0.63 0.18 0.00 0.03 0.00 0.00 46.19 45.58 2jtg s LEU 71 CO 0.22 -0.34 1.17 0.00 0.23 0.00 0.00 176.35 177.63 2jtg n LEU 72 N 4.23 -1.40 -4.38 1.79 -0.00 -1.26 -4.96 117.00 111.02 2jtg n LEU 72 Ca 0.06 -2.32 -0.31 0.00 -0.00 0.00 0.00 56.01 53.45 2jtg n LEU 72 Cb 0.38 0.65 0.28 0.00 -0.00 0.00 0.00 43.42 44.73 2jtg n LEU 72 CO 0.15 1.42 0.47 -0.54 -0.00 0.00 0.00 177.39 178.88 2jtg s LYS 73 N 0.09 -2.68 0.55 1.47 1.02 -1.26 -4.58 119.74 114.34 2jtg s LYS 73 Ca 0.11 -0.04 0.39 0.00 0.02 0.00 0.00 55.97 56.45 2jtg s LYS 73 Cb 0.18 -1.42 1.59 0.00 -0.52 0.00 0.00 37.83 37.66 2jtg s LYS 73 CO -0.05 -4.68 1.76 1.49 -0.92 0.00 0.00 175.35 172.95 2jtg h GLU 74 N -3.27 0.00 -0.26 1.68 4.81 -2.00 0.81 114.58 116.34 2jtg h GLU 74 Ca -0.41 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.68 2jtg h GLU 74 Cb 1.32 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 2jtg h GLU 74 CO 0.26 0.00 -0.36 -0.91 -0.73 0.00 0.00 179.01 177.27 2jtg h ASN 75 N 0.00 0.77 -0.58 1.04 2.35 -1.98 -3.46 115.58 113.72 2jtg h ASN 75 Ca 0.63 -0.50 -0.41 0.00 -0.55 0.00 0.00 56.30 55.46 2jtg h ASN 75 Cb 2.54 -0.22 0.05 0.00 0.05 0.00 0.00 38.32 40.74 2jtg h ASN 75 CO -0.01 1.12 -0.18 0.00 -1.65 0.00 0.00 177.43 176.72 2jtg n ALA 76 N -2.51 -2.17 -3.64 -0.83 0.00 0.28 -4.98 120.51 106.65 2jtg n ALA 76 Ca -0.04 0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.62 2jtg n ALA 76 Cb 0.51 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.36 0.00 -0.16 0.00 1.01 -1.26 -4.93 120.40 114.70 2jtg s VAL 77 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2jtg s VAL 77 Cb -0.61 -1.00 0.17 0.00 0.00 0.00 0.00 36.38 34.94 2jtg s VAL 77 CO 0.33 0.00 1.58 -0.81 0.00 0.00 0.00 175.10 176.20 2jtg n PRO 78 N 2.10 1.42 0.00 2.72 -0.04 -1.26 -3.87 135.00 136.07 2jtg n PRO 78 Ca -0.12 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2jtg n PRO 78 Cb 0.56 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.33 0.00 -0.68 0.52 -1.04 -1.23 -0.38 114.28 111.80 2jtg n THR 79 Ca 0.18 0.00 0.52 0.00 -2.04 0.00 0.00 64.05 62.71 2jtg n THR 79 Cb 0.72 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 70.04 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 0.00 0.00 12.58 2.04 -1.87 0.26 117.51 130.52 2jtg h ILE 80 Ca 0.00 -0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 2jtg h ILE 80 Cb 0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 2jtg h ILE 80 CO 0.00 0.00 -1.68 0.49 0.00 0.00 0.00 178.15 176.96 2jtg n PHE 81 N -4.05 0.00 -3.07 1.37 3.01 0.49 -4.72 117.46 110.50 2jtg n PHE 81 Ca 0.44 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.53 2jtg n PHE 81 Cb 1.97 -0.47 -0.02 0.00 -0.01 0.00 0.00 39.48 40.96 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 -2.29 5.69 0.15 4.37 7.94 0.86 -4.79 117.00 128.92 2jtg n LEU 82 Ca -0.14 -5.34 -0.00 0.00 -1.11 0.00 0.00 56.01 49.42 2jtg n LEU 82 Cb 0.74 -1.04 0.21 0.00 0.53 0.00 0.00 43.42 43.85 2jtg n LEU 82 CO 0.23 1.89 0.54 1.05 -1.11 0.00 0.00 177.39 179.99 2jtg h GLU 83 N 4.74 0.00 -1.40 1.96 4.11 -1.73 -3.25 114.58 119.00 2jtg h GLU 83 Ca 0.24 0.00 0.45 0.00 0.07 0.00 0.00 59.36 60.12 2jtg h GLU 83 Cb 0.58 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 2jtg h GLU 83 CO 1.14 0.57 0.94 1.28 0.07 0.00 0.00 179.01 183.01 2jtg n LEU 84 N -3.80 0.13 -4.57 3.06 4.77 -1.26 -3.91 117.00 111.42 2jtg n LEU 84 Ca -0.01 1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 56.67 2jtg n LEU 84 Cb 0.58 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2jtg n LEU 84 CO 0.41 -1.20 0.67 -0.69 -1.33 0.00 0.00 177.39 175.25 2jtg s VAL 85 N -4.94 4.59 0.00 4.08 1.01 -1.23 -5.05 120.40 118.87 2jtg s VAL 85 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2jtg s VAL 85 Cb 0.26 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2jtg s VAL 85 CO 0.75 -0.68 0.00 -2.65 0.00 0.00 0.00 175.10 172.53 2jtg n PRO 86 N 6.84 1.19 0.00 2.72 -0.02 -1.25 -5.08 135.00 139.40 2jtg n PRO 86 Ca 0.05 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.63 2jtg n PRO 86 Cb 0.48 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.56 2jtg n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02