#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 1.83 -3.65 3.17 0.31 -1.26 -4.88 118.33 113.84 2jtg n VAL 2 Ca 0.00 -1.84 -0.02 0.00 -0.01 0.00 0.00 64.34 62.46 2jtg n VAL 2 Cb 0.00 -0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 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 -2.43 0.02 0.53 5.55 2.00 -1.26 -4.68 119.66 119.38 2jtg s GLN 3 Ca 0.31 0.02 0.01 0.00 -2.00 0.00 0.00 55.36 53.70 2jtg s GLN 3 Cb 0.25 0.01 0.03 0.00 0.80 0.00 0.00 33.01 34.09 2jtg s GLN 3 CO 0.06 -0.00 0.75 -1.54 -0.50 0.00 0.00 175.29 174.06 2jtg s SER 4 N -0.08 5.40 0.29 6.67 1.04 -1.26 -4.54 113.70 121.23 2jtg s SER 4 Ca 0.08 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.57 2jtg s SER 4 Cb -0.05 -1.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.03 2jtg s SER 4 CO -0.16 -1.04 0.12 0.00 0.98 0.00 0.00 173.24 173.14 2jtg h SER 6 N 2.25 0.33 -1.10 0.00 0.87 -1.69 -3.45 113.55 110.75 2jtg h SER 6 Ca -0.36 -0.52 -0.79 0.00 -1.23 0.00 0.00 61.79 58.88 2jtg h SER 6 Cb 1.25 -0.09 0.04 0.00 -0.44 0.00 0.00 62.40 63.16 2jtg h SER 6 CO 0.58 0.79 0.27 0.00 -0.53 0.00 0.00 176.83 177.94 2jtg n ALA 7 N -2.43 -2.71 -1.71 6.23 0.00 -1.26 -4.80 120.51 113.83 2jtg n ALA 7 Ca -0.07 0.56 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 2jtg n ALA 7 Cb 0.38 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.95 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 2.31 2.70 -4.08 0.00 4.19 -1.26 -2.82 117.16 118.20 2jtg n TYR 8 Ca 0.22 0.01 -0.30 0.00 3.31 0.00 0.00 57.90 61.14 2jtg n TYR 8 Cb 0.07 -2.68 -0.04 0.00 0.49 0.00 0.00 39.34 37.18 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 4.00 -0.31 3.83 2.98 0.00 -1.26 -4.92 105.19 109.50 2jtg n GLY 9 Ca 0.17 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.10 3.73 -0.66 0.00 3.00 -1.26 -5.02 118.16 114.85 2jtg n LYS 11 Ca 0.07 -2.88 -0.31 0.00 -0.00 0.00 0.00 58.31 55.19 2jtg n LYS 11 Cb 0.54 -1.93 0.18 0.00 0.00 0.00 0.00 35.03 33.82 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 0.32 -0.95 -3.29 3.14 6.94 -1.26 -4.99 115.26 115.16 2jtg n ASN 12 Ca 0.23 0.22 0.03 0.00 -0.02 0.00 0.00 54.58 55.04 2jtg n ASN 12 Cb 0.94 -1.32 -0.02 0.00 -2.36 0.00 0.00 39.78 37.02 2jtg n ASN 12 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jtg s ARG 13 N -4.24 0.43 -1.23 -3.83 1.70 -1.26 -4.49 118.95 106.03 2jtg s ARG 13 Ca 0.64 0.88 -0.20 0.00 -0.47 0.00 0.00 55.73 56.58 2jtg s ARG 13 Cb -0.22 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 2jtg s ARG 13 CO 0.63 -0.34 1.79 -0.47 -1.08 0.00 0.00 175.30 175.82 2jtg s TYR 14 N 2.81 2.46 0.19 5.89 5.04 -1.26 -4.64 117.35 127.84 2jtg s TYR 14 Ca 0.06 -0.82 0.11 0.00 -2.44 0.00 0.00 57.07 53.98 2jtg s TYR 14 Cb -0.12 -4.49 -0.04 0.00 0.35 0.00 0.00 41.96 37.66 2jtg s TYR 14 CO -0.18 -1.62 -0.22 0.34 -1.34 0.00 0.00 175.55 172.53 2jtg s ASP 15 N 5.15 3.21 0.45 4.32 2.15 -1.26 -4.47 116.67 126.22 2jtg s ASP 15 Ca 0.59 -0.87 0.20 0.00 0.43 0.00 0.00 52.55 52.90 2jtg s ASP 15 Cb 0.02 -0.23 1.08 0.00 -0.30 0.00 0.00 42.92 43.49 2jtg s ASP 15 CO 0.08 0.07 1.95 0.07 -0.17 0.00 0.00 175.17 177.17 2jtg h LYS 16 N 3.20 0.00 0.00 4.34 2.10 -2.02 -3.08 116.57 121.12 2jtg h LYS 16 Ca -0.45 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2jtg h LYS 16 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2jtg h LYS 16 CO 0.49 0.23 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.73 2jtg h ASP 17 N 0.00 -0.00 -3.11 7.07 3.32 -1.96 -3.42 116.42 118.31 2jtg h ASP 17 Ca -0.00 -0.88 -0.55 0.00 0.02 0.00 0.00 57.03 55.61 2jtg h ASP 17 Cb 0.50 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.98 2jtg h ASP 17 CO 0.03 0.92 0.99 -0.75 -1.72 0.00 0.00 179.24 178.71 2jtg s LYS 18 N -2.30 3.48 0.00 3.56 2.36 -1.16 -4.89 119.74 120.78 2jtg s LYS 18 Ca -0.17 0.24 0.00 0.00 -2.55 0.00 0.00 55.97 53.48 2jtg s LYS 18 Cb -0.02 -4.03 0.00 0.00 -1.05 0.00 0.00 37.83 32.72 2jtg s LYS 18 CO 0.63 -1.73 0.63 -0.35 1.55 0.00 0.00 175.35 176.08 2jtg n PRO 19 N 8.52 0.53 -2.47 4.03 -0.04 -1.26 -4.03 135.00 140.28 2jtg n PRO 19 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 2jtg n PRO 19 Cb 0.49 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 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 0.56 3.96 0.92 0.52 0.11 -1.26 -4.97 120.40 120.24 2jtg s VAL 20 Ca 0.00 -1.47 -0.11 0.00 -2.93 0.00 0.00 61.98 57.47 2jtg s VAL 20 Cb 0.00 -5.02 0.15 0.00 -1.53 0.00 0.00 36.38 29.98 2jtg s VAL 20 CO 0.00 -1.80 1.11 -0.94 -3.33 0.00 0.00 175.10 170.14 2jtg s SER 21 N 4.91 3.02 0.13 3.54 1.04 -1.26 -4.70 113.70 120.37 2jtg s SER 21 Ca 0.56 1.89 0.09 0.00 0.48 0.00 0.00 55.95 58.96 2jtg s SER 21 Cb 0.02 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 2jtg s SER 21 CO 0.05 -2.99 -0.20 -0.36 0.98 0.00 0.00 173.24 170.72 2jtg s PHE 22 N -2.72 1.84 -0.09 5.02 0.40 -1.26 -1.16 117.98 120.01 2jtg s PHE 22 Ca 0.65 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.52 2jtg s PHE 22 Cb -0.21 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.40 2jtg s PHE 22 CO 0.58 0.26 0.18 -1.01 0.70 0.00 0.00 175.22 175.94 2jtg s HIS 23 N -1.46 -0.23 0.89 0.36 3.76 0.89 -4.86 115.29 114.63 2jtg s HIS 23 Ca 0.10 0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 55.59 2jtg s HIS 23 Cb -0.09 -0.21 0.13 0.00 1.11 0.00 0.00 32.58 33.52 2jtg s HIS 23 CO 0.05 -0.29 1.09 0.15 -0.85 0.00 0.00 174.74 174.90 2jtg s LYS 24 N 2.28 1.30 -0.18 1.40 3.01 -1.26 0.13 119.74 126.42 2jtg s LYS 24 Ca 0.02 1.02 -0.29 0.00 -1.01 0.00 0.00 55.97 55.71 2jtg s LYS 24 Cb -0.12 -1.80 -0.04 0.00 -1.01 0.00 0.00 37.83 34.86 2jtg s LYS 24 CO -0.06 -2.27 1.81 -0.06 0.51 0.00 0.00 175.35 175.28 2jtg s PHE 25 N -2.85 1.75 0.43 3.18 0.40 0.68 -4.71 117.98 116.86 2jtg s PHE 25 Ca 0.64 0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 57.27 2jtg s PHE 25 Cb -0.19 -4.03 -0.05 0.00 0.51 0.00 0.00 43.02 39.27 2jtg s PHE 25 CO 0.57 -3.64 0.76 -1.25 0.70 0.00 0.00 175.22 172.36 2jtg s PRO 26 N 5.04 3.64 -0.01 0.24 0.04 -1.26 -4.95 135.00 137.74 2jtg s PRO 26 Ca 0.81 0.28 0.10 0.00 0.04 0.00 0.00 61.00 62.22 2jtg s PRO 26 Cb -0.30 -2.41 -0.13 0.00 0.04 0.00 0.00 34.50 31.70 2jtg s PRO 26 CO 0.33 -0.10 0.29 1.28 0.04 0.00 0.00 177.00 178.84 2jtg n LEU 27 N -1.77 0.19 0.07 -3.56 4.77 -1.26 -4.51 117.00 110.93 2jtg n LEU 27 Ca 0.01 -0.21 0.02 0.00 -0.03 0.00 0.00 56.01 55.80 2jtg n LEU 27 Cb 0.55 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.00 2jtg n LEU 27 CO 0.51 0.05 0.92 0.71 -1.33 0.00 0.00 177.39 178.25 2jtg h THR 28 N 0.00 1.18 -3.37 -5.08 1.35 -2.01 -3.35 112.91 101.64 2jtg h THR 28 Ca 0.00 -0.73 -0.73 0.00 -0.55 0.00 0.00 66.41 64.40 2jtg h THR 28 Cb 0.36 1.07 -0.29 0.00 -1.73 0.00 0.00 68.15 67.56 2jtg h THR 28 CO 0.00 0.24 -0.32 -0.60 -0.25 0.00 0.00 175.52 174.59 2jtg s ARG 29 N -4.86 2.65 0.00 4.72 3.00 -1.26 -4.97 118.95 118.22 2jtg s ARG 29 Ca -0.06 -1.93 0.00 0.00 -1.00 0.00 0.00 55.73 52.74 2jtg s ARG 29 Cb 0.16 -3.99 0.00 0.00 0.00 0.00 0.00 34.95 31.12 2jtg s ARG 29 CO 0.74 -1.21 0.00 -0.35 0.00 0.00 0.00 175.30 174.48 2jtg n PRO 30 N 4.66 0.00 -0.06 5.12 -0.04 -1.26 -3.20 135.00 140.22 2jtg n PRO 30 Ca -0.04 0.14 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2jtg n PRO 30 Cb 0.41 -0.60 -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 -0.77 -0.56 3.54 4.64 -1.95 0.69 113.55 119.14 2jtg h SER 31 Ca 0.00 0.14 0.05 0.00 -0.47 0.00 0.00 61.79 61.51 2jtg h SER 31 Cb 0.00 0.37 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2jtg h SER 31 CO 0.00 -0.27 0.37 0.25 -0.87 0.00 0.00 176.83 176.31 2jtg h LEU 32 N -0.22 0.51 -1.82 5.97 5.85 -1.98 -0.77 115.31 122.85 2jtg h LEU 32 Ca 0.15 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 59.11 2jtg h LEU 32 Cb 0.46 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2jtg h LEU 32 CO -0.41 0.35 0.63 0.00 -0.34 0.00 0.00 178.44 178.67 2jtg h LYS 34 N 0.14 0.57 -0.89 0.00 3.64 -0.59 0.86 116.57 120.30 2jtg h LYS 34 Ca 0.45 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.85 2jtg h LYS 34 Cb 1.54 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.17 2jtg h LYS 34 CO -0.07 0.38 0.56 0.93 -2.27 0.00 0.00 179.45 178.97 2jtg h GLU 35 N 0.58 1.00 -0.27 1.90 5.08 -0.07 0.60 114.58 123.41 2jtg h GLU 35 Ca 0.53 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 2jtg h GLU 35 Cb 1.06 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2jtg h GLU 35 CO -0.28 0.66 0.19 -1.49 -1.00 0.00 0.00 179.01 177.09 2jtg h TRP 36 N 1.04 0.17 -0.98 4.33 4.06 0.69 0.74 115.95 125.99 2jtg h TRP 36 Ca 0.38 0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.47 2jtg h TRP 36 Cb 0.13 -0.06 -0.09 0.00 -1.00 0.00 0.00 29.16 28.14 2jtg h TRP 36 CO -0.02 0.10 0.60 0.93 -3.56 0.00 0.00 178.44 176.48 2jtg h GLU 37 N 0.17 0.86 -0.62 0.49 5.08 -0.47 0.62 114.58 120.71 2jtg h GLU 37 Ca 0.12 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2jtg h GLU 37 Cb 0.26 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2jtg h GLU 37 CO -0.02 0.57 0.27 0.00 -1.00 0.00 0.00 179.01 178.83 2jtg h ALA 38 N 1.57 1.32 -0.56 3.43 0.00 -0.88 -0.12 119.26 124.02 2jtg h ALA 38 Ca 0.51 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.45 2jtg h ALA 38 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jtg h ALA 38 CO -0.31 0.52 0.54 0.00 0.00 0.00 0.00 179.25 180.00 2jtg h ALA 39 N 1.43 2.34 0.00 0.00 0.00 0.38 -3.07 119.26 120.34 2jtg h ALA 39 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jtg h ALA 39 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jtg h ALA 39 CO -0.02 -0.83 -0.48 0.28 0.00 0.00 0.00 179.25 178.20 2jtg n VAL 40 N -3.81 0.80 -1.78 0.00 0.31 -0.20 -4.12 118.33 109.53 2jtg n VAL 40 Ca 0.11 0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 64.57 2jtg n VAL 40 Cb 0.76 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.66 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 -3.56 -1.31 -0.37 5.55 0.00 -0.34 -4.61 116.66 112.02 2jtg n ARG 41 Ca -0.07 1.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.84 2jtg n ARG 41 Cb 0.25 -5.39 0.00 0.00 0.00 0.00 0.00 32.46 27.31 2jtg n ARG 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2jtg n ARG 42 N -2.56 1.22 -0.03 -0.14 3.00 -1.26 -5.02 116.66 111.87 2jtg n ARG 42 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.53 2jtg n ARG 42 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.99 2jtg n ARG 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 2jtg h LYS 43 N 0.00 0.16 -0.11 -0.14 2.10 -2.01 -3.43 116.57 113.14 2jtg h LYS 43 Ca 0.00 -0.08 -0.16 0.00 -2.00 0.00 0.00 60.65 58.42 2jtg h LYS 43 Cb 0.00 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.19 2jtg h LYS 43 CO 0.00 0.58 -0.34 0.09 -2.00 0.00 0.00 179.45 177.78 2jtg n ASN 44 N -4.74 -2.40 -0.51 7.07 3.02 -1.26 -5.08 115.26 111.36 2jtg n ASN 44 Ca -0.07 -2.69 -0.01 0.00 -0.03 0.00 0.00 54.58 51.78 2jtg n ASN 44 Cb 0.29 1.44 -0.01 0.00 -0.61 0.00 0.00 39.78 40.88 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 1.79 0.00 -1.84 3.10 1.16 -1.26 -4.72 117.46 115.69 2jtg n PHE 45 Ca 0.08 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.24 2jtg n PHE 45 Cb 0.65 -0.06 -0.03 0.00 -1.61 0.00 0.00 39.48 38.43 2jtg n PHE 45 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2jtg s LYS 46 N 0.70 3.12 0.00 3.97 2.47 -1.26 -4.75 119.74 123.99 2jtg s LYS 46 Ca 0.06 1.58 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 2jtg s LYS 46 Cb -0.04 -4.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.04 2jtg s LYS 46 CO 0.02 -2.11 0.47 -2.30 0.16 0.00 0.00 175.35 171.60 2jtg n PRO 47 N 8.64 0.00 0.30 4.03 -0.02 -1.26 -1.52 135.00 145.16 2jtg n PRO 47 Ca 0.26 0.04 -0.16 0.00 -2.02 0.00 0.00 63.50 61.62 2jtg n PRO 47 Cb 0.47 -1.51 -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 0.46 0.00 3.45 1.03 -1.96 -3.34 112.91 112.55 2jtg h THR 48 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 2jtg h THR 48 Cb 0.02 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 2jtg h THR 48 CO 0.00 0.02 -0.43 0.29 -0.01 0.00 0.00 175.52 175.39 2jtg n LYS 49 N -5.38 3.07 0.18 0.00 5.02 -1.17 -4.77 118.16 115.13 2jtg n LYS 49 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.24 2jtg n LYS 49 Cb 0.31 -0.72 0.20 0.00 -0.02 0.00 0.00 35.03 34.80 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 -1.50 -3.40 116.97 114.24 2jtg h TYR 50 Ca 0.00 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.34 2jtg h TYR 50 Cb 0.09 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.94 2jtg h TYR 50 CO 0.00 0.32 1.27 0.43 -1.05 0.00 0.00 178.16 179.13 2jtg n SER 51 N -3.25 0.75 -3.61 3.88 7.64 -1.21 -4.40 113.62 113.41 2jtg n SER 51 Ca 0.02 -2.37 -0.04 0.00 1.01 0.00 0.00 58.87 57.48 2jtg n SER 51 Cb 0.59 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 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 6.49 -0.13 0.08 6.43 1.04 -1.26 -0.23 113.70 126.11 2jtg s SER 52 Ca 0.52 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.05 2jtg s SER 52 Cb 0.11 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2jtg s SER 52 CO 0.26 -0.17 -0.07 -0.63 0.98 0.00 0.00 173.24 173.60 2jtg s ILE 53 N -1.72 0.68 0.21 -1.02 -1.09 0.36 -2.47 121.20 116.14 2jtg s ILE 53 Ca 0.08 -1.60 0.07 0.00 -2.23 0.00 0.00 60.65 56.97 2jtg s ILE 53 Cb -0.01 -1.27 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 2jtg s ILE 53 CO -0.05 -0.66 0.06 0.00 -1.23 0.00 0.00 174.94 173.07 2jtg h SER 55 N 2.19 0.76 -1.33 0.00 4.64 -1.42 -3.02 113.55 115.38 2jtg h SER 55 Ca -0.47 0.01 0.38 0.00 -0.47 0.00 0.00 61.79 61.24 2jtg h SER 55 Cb 1.22 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 2jtg h SER 55 CO 0.60 0.48 1.26 -0.62 -0.87 0.00 0.00 176.83 177.68 2jtg n GLU 56 N -4.49 0.01 -0.04 4.77 1.02 -1.26 0.97 120.64 121.62 2jtg n GLU 56 Ca 0.12 1.01 0.04 0.00 -0.02 0.00 0.00 57.16 58.31 2jtg n GLU 56 Cb 0.23 -2.45 -0.16 0.00 -0.02 0.00 0.00 31.44 29.05 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 -3.41 0.00 -1.87 -0.32 8.25 -1.14 -4.98 115.22 111.74 2jtg n HIS 57 Ca 0.30 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.45 2jtg n HIS 57 Cb 1.66 -0.65 0.03 0.00 1.12 0.00 0.00 29.99 32.14 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 3.44 0.20 4.41 0.08 0.27 -3.69 117.98 119.57 2jtg s PHE 58 Ca -0.08 1.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.90 2jtg s PHE 58 Cb 0.11 -2.92 -0.08 0.00 -0.57 0.00 0.00 43.02 39.56 2jtg s PHE 58 CO 0.85 -0.98 0.75 0.95 -0.10 0.00 0.00 175.22 176.69 2jtg s THR 59 N -3.28 4.49 0.32 0.64 -4.23 -1.25 -4.97 115.64 107.36 2jtg s THR 59 Ca 0.57 1.45 0.07 0.00 -1.18 0.00 0.00 61.69 62.59 2jtg s THR 59 Cb -0.11 -3.96 0.31 0.00 1.34 0.00 0.00 72.50 70.08 2jtg s THR 59 CO 0.53 0.32 1.80 -0.65 -0.54 0.00 0.00 174.62 176.08 2jtg h PRO 60 N 3.75 0.74 0.00 3.99 0.11 -1.96 0.14 132.00 138.76 2jtg h PRO 60 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jtg h PRO 60 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2jtg h PRO 60 CO 0.65 0.49 0.00 0.22 -0.21 0.00 0.00 178.00 179.15 2jtg h ASP 61 N 0.76 0.00 0.31 -2.05 1.82 -2.03 -3.00 116.42 112.22 2jtg h ASP 61 Ca 0.54 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2jtg h ASP 61 Cb 0.84 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2jtg h ASP 61 CO -0.32 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.31 2jtg n PHE 63 N -1.37 2.44 0.50 0.00 3.72 -1.14 -4.27 117.46 117.35 2jtg n PHE 63 Ca 0.05 -2.42 0.11 0.00 -0.05 0.00 0.00 57.45 55.14 2jtg n PHE 63 Cb 0.12 -1.26 0.01 0.00 -0.94 0.00 0.00 39.48 37.40 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 -0.18 0.33 -0.87 -1.08 0.00 -1.19 -4.98 118.16 110.18 2jtg n LYS 64 Ca 0.50 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 58.50 2jtg n LYS 64 Cb 0.54 -1.61 0.06 0.00 -0.00 0.00 0.00 35.03 34.02 2jtg n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2jtg n ARG 65 N -2.03 -0.42 -0.21 -1.58 0.00 -1.26 -4.93 116.66 106.23 2jtg n ARG 65 Ca 0.01 -0.12 0.09 0.00 -0.00 0.00 0.00 57.85 57.83 2jtg n ARG 65 Cb 0.45 -1.14 0.18 0.00 -0.00 0.00 0.00 32.46 31.94 2jtg n ARG 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2jtg n GLU 66 N 1.39 2.12 -3.22 2.89 -0.00 -1.26 -5.03 120.64 117.52 2jtg n GLU 66 Ca -0.01 -2.58 -0.19 0.00 -0.00 0.00 0.00 57.16 54.39 2jtg n GLU 66 Cb 0.59 -1.58 -0.00 0.00 -0.00 0.00 0.00 31.44 30.44 2jtg n GLU 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jtg n ASN 68 N -1.77 0.26 -0.09 0.00 2.85 -1.26 -4.81 115.26 110.45 2jtg n ASN 68 Ca 0.07 0.28 -0.20 0.00 -0.11 0.00 0.00 54.58 54.62 2jtg n ASN 68 Cb 0.60 -0.55 -0.12 0.00 1.24 0.00 0.00 39.78 40.95 2jtg n ASN 68 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2jtg h ASN 69 N -0.14 0.04 -2.87 1.20 -0.73 -1.98 -3.45 115.58 107.64 2jtg h ASN 69 Ca 0.00 -0.67 -0.56 0.00 1.87 0.00 0.00 56.30 56.94 2jtg h ASN 69 Cb 0.08 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 2jtg h ASN 69 CO 0.00 1.38 0.92 -0.75 -0.37 0.00 0.00 177.43 178.61 2jtg s LYS 70 N -2.34 4.23 -0.27 6.67 2.20 -1.26 -4.85 119.74 124.13 2jtg s LYS 70 Ca -0.26 1.75 -0.02 0.00 -0.36 0.00 0.00 55.97 57.08 2jtg s LYS 70 Cb 0.04 -3.78 0.11 0.00 -1.51 0.00 0.00 37.83 32.69 2jtg s LYS 70 CO 0.63 -0.71 0.22 -0.51 -0.36 0.00 0.00 175.35 174.62 2jtg s LEU 71 N 3.49 0.04 -0.35 5.43 1.43 -1.26 -4.35 118.68 123.11 2jtg s LEU 71 Ca 0.58 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2jtg s LEU 71 Cb -0.24 0.20 0.22 0.00 0.03 0.00 0.00 46.19 46.40 2jtg s LEU 71 CO 0.17 -0.39 1.20 0.00 0.23 0.00 0.00 176.35 177.57 2jtg n LEU 72 N 5.29 -1.46 -4.08 1.79 -0.00 -1.26 -4.96 117.00 112.32 2jtg n LEU 72 Ca -0.04 -2.39 -0.28 0.00 -0.00 0.00 0.00 56.01 53.30 2jtg n LEU 72 Cb 0.46 0.69 0.11 0.00 -0.00 0.00 0.00 43.42 44.68 2jtg n LEU 72 CO 0.03 1.50 -0.84 0.29 -0.00 0.00 0.00 177.39 178.38 2jtg n LYS 73 N -0.24 -1.18 -0.27 1.47 4.76 -1.26 -4.38 118.16 117.06 2jtg n LYS 73 Ca -0.14 -0.34 0.33 0.00 -2.87 0.00 0.00 58.31 55.29 2jtg n LYS 73 Cb 0.72 -1.38 0.71 0.00 -1.84 0.00 0.00 35.03 33.25 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 -1.91 0.00 -0.19 1.97 4.22 -2.00 0.60 114.58 117.27 2jtg h GLU 74 Ca -0.38 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 58.91 2jtg h GLU 74 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jtg h GLU 74 CO 0.24 0.00 -0.49 -0.91 -2.18 0.00 0.00 179.01 175.68 2jtg h ASN 75 N 0.00 0.76 -0.49 1.04 2.35 -1.96 -3.47 115.58 113.82 2jtg h ASN 75 Ca 0.52 -0.57 -0.35 0.00 -0.55 0.00 0.00 56.30 55.35 2jtg h ASN 75 Cb 2.29 -0.22 0.04 0.00 0.05 0.00 0.00 38.32 40.49 2jtg h ASN 75 CO -0.01 1.20 -0.16 0.00 -1.65 0.00 0.00 177.43 176.81 2jtg n ALA 76 N -2.54 -1.96 -3.64 -0.83 0.00 0.21 -4.98 120.51 106.76 2jtg n ALA 76 Ca -0.06 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 2jtg n ALA 76 Cb 0.59 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.33 0.00 -0.18 0.00 1.01 -1.26 -4.94 120.40 114.70 2jtg s VAL 77 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2jtg s VAL 77 Cb -0.51 -1.00 0.18 0.00 0.00 0.00 0.00 36.38 35.06 2jtg s VAL 77 CO 0.28 0.00 1.63 -0.81 0.00 0.00 0.00 175.10 176.19 2jtg n PRO 78 N 2.06 1.47 0.00 2.72 -0.04 -1.26 -3.97 135.00 135.97 2jtg n PRO 78 Ca -0.12 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2jtg n PRO 78 Cb 0.56 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.31 0.00 -0.45 0.52 -1.04 -1.24 0.07 114.28 112.44 2jtg n THR 79 Ca 0.20 0.00 0.39 0.00 -2.04 0.00 0.00 64.05 62.60 2jtg n THR 79 Cb 0.73 0.00 0.67 0.00 -1.82 0.00 0.00 70.33 69.91 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 0.70 117.51 130.98 2jtg h ILE 80 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 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 -0.80 0.49 0.00 0.00 0.00 178.15 177.84 2jtg n PHE 81 N -4.79 0.00 -0.75 1.37 3.01 0.11 -4.34 117.46 112.06 2jtg n PHE 81 Ca 0.40 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.52 2jtg n PHE 81 Cb 1.52 -0.05 0.14 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 -1.43 -2.36 -0.24 4.37 7.94 0.24 -4.18 117.00 121.35 2jtg n LEU 82 Ca 0.02 -0.05 0.32 0.00 -1.11 0.00 0.00 56.01 55.19 2jtg n LEU 82 Cb 0.23 -0.89 0.73 0.00 0.53 0.00 0.00 43.42 44.03 2jtg n LEU 82 CO 0.27 -3.13 1.29 -0.33 -1.11 0.00 0.00 177.39 174.38 2jtg h GLU 83 N -1.79 0.00 -0.32 1.96 5.08 -1.93 -2.43 114.58 115.14 2jtg h GLU 83 Ca -0.50 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2jtg h GLU 83 Cb 1.36 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 2jtg h GLU 83 CO 0.34 0.00 -0.33 1.25 -1.00 0.00 0.00 179.01 179.27 2jtg h LEU 84 N 0.00 -1.14 -6.36 1.33 6.46 -1.85 -3.39 115.31 110.35 2jtg h LEU 84 Ca 0.49 0.16 -0.27 0.00 -0.12 0.00 0.00 57.88 58.13 2jtg h LEU 84 Cb 2.02 0.48 -0.30 0.00 -0.73 0.00 0.00 40.66 42.13 2jtg h LEU 84 CO -0.01 -0.22 -0.60 0.68 -0.62 0.00 0.00 178.44 177.68 2jtg s VAL 85 N -4.54 -0.51 0.21 1.05 -7.23 -0.92 -5.03 120.40 103.44 2jtg s VAL 85 Ca -0.08 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.47 2jtg s VAL 85 Cb 0.05 -0.86 0.15 0.00 0.56 0.00 0.00 36.38 36.28 2jtg s VAL 85 CO 0.36 -0.40 1.85 -0.65 -0.31 0.00 0.00 175.10 175.95 2jtg h PRO 86 N 7.85 0.86 0.00 4.82 0.11 -1.72 -3.37 132.00 140.55 2jtg h PRO 86 Ca -0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2jtg h PRO 86 Cb 1.09 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2jtg h PRO 86 CO 0.26 0.57 0.00 2.89 -0.21 0.00 0.00 178.00 181.51