#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg n ARG 3 N 0.00 0.62 -0.03 0.00 1.74 -1.24 -4.06 116.66 113.69 1fjg n ARG 3 Ca 0.00 -0.24 0.04 0.00 -0.77 0.00 0.00 57.85 56.88 1fjg n ARG 3 Cb 0.00 -2.92 -0.13 0.00 -1.02 0.00 0.00 32.46 28.38 1fjg n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1fjg n ILE 4 N 7.87 0.34 -4.41 0.55 5.41 -1.10 -4.94 119.36 123.08 1fjg n ILE 4 Ca 0.48 -0.49 -0.22 0.00 1.00 0.00 0.00 62.75 63.52 1fjg n ILE 4 Cb 0.38 -0.11 -0.08 0.00 -0.71 0.00 0.00 39.64 39.12 1fjg n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1fjg s ALA 5 N -2.97 2.39 -0.73 -1.39 0.00 -1.26 -4.53 121.76 113.27 1fjg s ALA 5 Ca -0.07 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.04 1fjg s ALA 5 Cb 0.09 1.06 -0.17 0.00 0.00 0.00 0.00 23.12 24.11 1fjg s ALA 5 CO 0.72 -0.47 2.04 0.41 0.00 0.00 0.00 175.76 178.45 1fjg n GLY 6 N -0.75 -0.35 1.78 0.00 0.00 -1.26 0.25 105.19 104.86 1fjg n GLY 6 Ca -0.00 0.89 -0.09 0.00 0.00 0.00 0.00 46.02 46.82 1fjg n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fjg n VAL 7 N 5.72 -0.05 -2.79 1.61 0.24 -1.26 -4.89 118.33 116.91 1fjg n VAL 7 Ca 0.50 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.45 1fjg n VAL 7 Cb 0.02 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.41 1fjg n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fjg s GLU 8 N -3.01 4.39 -0.41 7.34 0.41 0.70 -5.02 118.70 123.09 1fjg s GLU 8 Ca 0.00 1.23 0.07 0.00 -0.41 0.00 0.00 54.97 55.86 1fjg s GLU 8 Cb 0.00 -2.48 0.18 0.00 -1.78 0.00 0.00 34.13 30.05 1fjg s GLU 8 CO 0.00 0.11 0.60 0.42 -0.49 0.00 0.00 175.26 175.90 1fjg s ILE 9 N -1.90 -0.90 0.58 -1.63 1.09 -1.26 -2.73 121.20 114.44 1fjg s ILE 9 Ca 0.56 -0.20 -0.08 0.00 -1.10 0.00 0.00 60.65 59.83 1fjg s ILE 9 Cb -0.14 -0.10 -0.02 0.00 -1.06 0.00 0.00 42.46 41.14 1fjg s ILE 9 CO 0.18 -0.09 0.93 -2.16 -0.10 0.00 0.00 174.94 173.71 1fjg s PRO 10 N 1.73 3.34 0.05 2.79 0.04 -1.26 -4.70 135.00 136.99 1fjg s PRO 10 Ca 0.17 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.29 1fjg s PRO 10 Cb -0.05 -2.22 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1fjg s PRO 10 CO -0.06 -0.53 1.03 0.50 0.04 0.00 0.00 177.00 177.98 1fjg s ARG 11 N -5.01 0.86 0.00 4.56 3.52 -1.26 -1.56 118.95 120.06 1fjg s ARG 11 Ca 0.53 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1fjg s ARG 11 Cb -0.11 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 1fjg s ARG 11 CO 0.49 -0.39 0.00 -1.71 -0.81 0.00 0.00 175.30 172.88 1fjg n ASN 12 N -0.39 -1.29 -4.55 -2.12 2.85 -1.26 -4.85 115.26 103.66 1fjg n ASN 12 Ca -0.07 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.13 1fjg n ASN 12 Cb 0.61 -1.31 -0.10 0.00 1.24 0.00 0.00 39.78 40.22 1fjg n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1fjg s LYS 13 N -0.58 1.93 0.71 1.20 1.02 -1.26 -4.84 119.74 117.92 1fjg s LYS 13 Ca 0.00 -2.13 -0.16 0.00 0.02 0.00 0.00 55.97 53.70 1fjg s LYS 13 Cb 0.00 -1.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 1fjg s LYS 13 CO 0.00 -0.21 0.96 0.54 -0.92 0.00 0.00 175.35 175.72 1fjg n ARG 14 N -0.95 0.53 -0.03 1.68 1.74 -1.26 -1.22 116.66 117.14 1fjg n ARG 14 Ca -0.08 0.24 -0.16 0.00 -0.77 0.00 0.00 57.85 57.08 1fjg n ARG 14 Cb 0.67 -2.21 -0.05 0.00 -1.02 0.00 0.00 32.46 29.85 1fjg n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1fjg h VAL 15 N -0.21 1.28 0.00 1.55 2.07 -0.74 -1.76 116.25 118.45 1fjg h VAL 15 Ca -0.47 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.14 1fjg h VAL 15 Cb 1.34 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1fjg h VAL 15 CO 0.47 0.61 0.00 -0.90 0.02 0.00 0.00 177.57 177.77 1fjg n ASP 16 N -3.95 0.00 -0.04 0.57 5.75 -1.25 -0.34 116.55 117.30 1fjg n ASP 16 Ca -0.06 0.24 -0.04 0.00 -0.01 0.00 0.00 54.79 54.92 1fjg n ASP 16 Cb 0.71 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.43 1fjg n ASP 16 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1fjg n VAL 17 N -1.30 0.54 0.08 2.12 0.31 -1.14 -4.60 118.33 114.34 1fjg n VAL 17 Ca 0.02 -0.35 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1fjg n VAL 17 Cb 0.04 -0.71 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 1fjg n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fjg h ALA 18 N 0.44 0.35 0.00 3.52 0.00 -0.07 -3.07 119.26 120.43 1fjg h ALA 18 Ca -0.21 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1fjg h ALA 18 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fjg h ALA 18 CO 0.01 1.08 0.00 -0.07 0.00 0.00 0.00 179.25 180.27 1fjg h LEU 19 N 0.04 0.00 -1.52 0.00 3.38 -0.94 -1.50 115.31 114.78 1fjg h LEU 19 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1fjg h LEU 19 Cb 1.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1fjg h LEU 19 CO 0.15 0.00 -0.21 0.74 0.09 0.00 0.00 178.44 179.20 1fjg h THR 20 N 0.00 1.17 0.00 0.22 2.02 -1.74 -2.71 112.91 111.87 1fjg h THR 20 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1fjg h THR 20 Cb 0.33 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1fjg h THR 20 CO 0.00 0.23 0.00 -1.22 0.37 0.00 0.00 175.52 174.90 1fjg n TYR 21 N -4.27 0.00 -3.66 3.16 4.02 -0.56 -4.53 117.16 111.32 1fjg n TYR 21 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.50 1fjg n TYR 21 Cb 0.28 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.54 1fjg n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1fjg s ILE 22 N -2.00 5.30 0.61 -0.72 1.01 -1.02 -4.93 121.20 119.45 1fjg s ILE 22 Ca 0.12 0.50 0.27 0.00 0.00 0.00 0.00 60.65 61.53 1fjg s ILE 22 Cb 0.05 -3.57 0.35 0.00 0.01 0.00 0.00 42.46 39.30 1fjg s ILE 22 CO 0.09 0.53 1.74 0.22 0.00 0.00 0.00 174.94 177.52 1fjg h TYR 23 N 5.51 0.00 -0.21 3.97 3.20 -1.90 -0.31 116.97 127.23 1fjg h TYR 23 Ca -0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.38 1fjg h TYR 23 Cb 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1fjg h TYR 23 CO 0.69 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 177.62 1fjg n GLY 24 N -1.49 1.31 3.36 1.82 0.00 -1.26 -4.72 105.19 104.20 1fjg n GLY 24 Ca 0.09 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1fjg n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjg s ILE 25 N -1.03 2.02 -0.24 -0.61 1.01 -0.13 -4.95 121.20 117.27 1fjg s ILE 25 Ca 0.21 -1.82 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 1fjg s ILE 25 Cb 0.12 -1.87 0.15 0.00 0.01 0.00 0.00 42.46 40.87 1fjg s ILE 25 CO 0.17 -0.11 1.15 -0.83 0.00 0.00 0.00 174.94 175.32 1fjg s GLY 26 N -2.34 -0.06 0.00 6.18 0.00 -1.26 -4.39 107.32 105.44 1fjg s GLY 26 Ca 0.14 2.63 0.00 0.00 0.00 0.00 0.00 44.72 47.49 1fjg s GLY 26 CO 0.07 1.45 0.00 0.28 0.00 0.00 0.00 173.10 174.89 1fjg n LYS 27 N 1.29 0.00 -0.02 2.90 4.76 -1.26 -0.62 118.16 125.21 1fjg n LYS 27 Ca -0.09 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 1fjg n LYS 27 Cb 0.57 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.68 1fjg n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fjg h ALA 28 N 0.00 -0.82 -0.07 7.82 0.00 -1.97 0.84 119.26 125.06 1fjg h ALA 28 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1fjg h ALA 28 Cb 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1fjg h ALA 28 CO 0.00 -0.99 -0.50 0.00 0.00 0.00 0.00 179.25 177.76 1fjg h ARG 29 N -0.48 0.18 0.22 0.00 3.08 -1.26 -2.88 114.38 113.24 1fjg h ARG 29 Ca 0.03 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1fjg h ARG 29 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1fjg h ARG 29 CO -0.38 0.64 -0.11 0.00 -1.07 0.00 0.00 179.97 179.06 1fjg h ALA 30 N 1.34 -0.30 0.00 0.04 0.00 -1.44 -1.41 119.26 117.49 1fjg h ALA 30 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fjg h ALA 30 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1fjg h ALA 30 CO 0.07 -0.65 0.00 0.87 0.00 0.00 0.00 179.25 179.54 1fjg h LYS 31 N -0.33 0.00 0.09 0.00 1.57 -0.83 -2.73 116.57 114.34 1fjg h LYS 31 Ca -0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1fjg h LYS 31 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1fjg h LYS 31 CO 0.05 0.00 -0.04 1.49 -0.57 0.00 0.00 179.45 180.38 1fjg h GLU 32 N 0.00 -0.11 -1.00 3.15 4.81 -1.16 -2.94 114.58 117.33 1fjg h GLU 32 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 1fjg h GLU 32 Cb 0.20 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 1fjg h GLU 32 CO 0.00 0.06 0.63 0.00 -0.73 0.00 0.00 179.01 178.97 1fjg h ALA 33 N -0.87 1.55 -0.31 2.92 0.00 -1.19 0.65 119.26 122.02 1fjg h ALA 33 Ca -0.01 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1fjg h ALA 33 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1fjg h ALA 33 CO 0.02 0.19 -0.41 -0.07 0.00 0.00 0.00 179.25 178.99 1fjg h LEU 34 N 0.96 0.80 0.78 0.00 3.38 -1.63 -2.36 115.31 117.24 1fjg h LEU 34 Ca 0.50 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1fjg h LEU 34 Cb 0.53 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1fjg h LEU 34 CO -0.27 1.10 -0.37 -0.08 0.09 0.00 0.00 178.44 178.91 1fjg h GLU 35 N 0.61 -1.01 -0.87 1.13 4.57 -0.95 -1.78 114.58 116.28 1fjg h GLU 35 Ca 0.05 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1fjg h GLU 35 Cb 0.96 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1fjg h GLU 35 CO 0.09 -0.67 0.00 1.63 -1.18 0.00 0.00 179.01 178.88 1fjg n LYS 36 N -5.54 0.95 0.00 1.92 5.02 0.07 -2.55 118.16 118.03 1fjg n LYS 36 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1fjg n LYS 36 Cb 0.42 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1fjg n LYS 36 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fjg n THR 37 N -0.02 0.00 0.00 -0.18 -1.04 -0.89 -5.01 114.28 107.14 1fjg n THR 37 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1fjg n THR 37 Cb 0.22 1.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 1fjg n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fjg n GLY 38 N 0.49 2.86 3.77 3.41 0.00 -0.70 -4.89 105.19 110.13 1fjg n GLY 38 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1fjg n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fjg s ILE 39 N -1.90 2.41 -0.38 -0.61 -1.09 -1.12 -4.96 121.20 113.55 1fjg s ILE 39 Ca 0.00 0.39 -0.27 0.00 -2.23 0.00 0.00 60.65 58.54 1fjg s ILE 39 Cb 0.00 -3.24 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 1fjg s ILE 39 CO 0.00 0.08 0.98 0.21 -1.23 0.00 0.00 174.94 174.98 1fjg s ASN 40 N -0.46 6.70 0.19 3.58 3.04 -1.26 -4.60 114.94 122.13 1fjg s ASN 40 Ca 0.54 0.61 -0.25 0.00 0.04 0.00 0.00 52.86 53.80 1fjg s ASN 40 Cb -0.42 -2.49 0.06 0.00 -1.54 0.00 0.00 41.25 36.87 1fjg s ASN 40 CO 0.55 -0.93 1.55 -0.65 -3.04 0.00 0.00 177.10 174.58 1fjg h PRO 41 N 8.56 -0.02 -0.15 0.43 0.11 -1.92 -0.31 132.00 138.70 1fjg h PRO 41 Ca -0.23 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.93 1fjg h PRO 41 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1fjg h PRO 41 CO 1.01 -0.01 0.89 0.00 -0.21 0.00 0.00 178.00 179.68 1fjg h ALA 42 N 0.86 2.02 -2.83 -0.75 0.00 -1.96 -2.34 119.26 114.26 1fjg h ALA 42 Ca 0.24 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.62 1fjg h ALA 42 Cb 0.50 0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.36 1fjg h ALA 42 CO -0.94 -0.97 0.65 0.95 0.00 0.00 0.00 179.25 178.94 1fjg s THR 43 N -4.09 2.80 0.28 0.00 -4.23 -0.13 -4.68 115.64 105.58 1fjg s THR 43 Ca -0.01 0.76 -0.29 0.00 -1.18 0.00 0.00 61.69 60.97 1fjg s THR 43 Cb 0.04 -3.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.30 1fjg s THR 43 CO 0.13 0.16 1.22 -0.13 -0.54 0.00 0.00 174.62 175.46 1fjg s ARG 44 N -1.34 4.48 0.31 3.99 3.00 -1.26 -1.68 118.95 126.45 1fjg s ARG 44 Ca 0.51 2.00 0.07 0.00 0.00 0.00 0.00 55.73 58.31 1fjg s ARG 44 Cb -0.39 -3.15 0.85 0.00 0.00 0.00 0.00 34.95 32.26 1fjg s ARG 44 CO 0.49 -0.03 1.64 0.28 0.00 0.00 0.00 175.30 177.68 1fjg h VAL 45 N 3.24 0.28 0.09 3.52 2.07 -1.44 0.40 116.25 124.42 1fjg h VAL 45 Ca -0.47 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1fjg h VAL 45 Cb 1.22 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1fjg h VAL 45 CO 0.69 0.04 -0.08 0.07 0.02 0.00 0.00 177.57 178.31 1fjg h LYS 46 N 0.23 -0.18 0.00 1.57 2.10 -1.90 -2.01 116.57 116.37 1fjg h LYS 46 Ca 0.62 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.28 1fjg h LYS 46 Cb 1.33 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1fjg h LYS 46 CO -0.66 -0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 176.42 1fjg n ASP 47 N -5.20 0.00 -4.60 7.07 8.00 0.13 -4.77 116.55 117.18 1fjg n ASP 47 Ca -0.07 0.45 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 1fjg n ASP 47 Cb 0.12 -0.46 0.13 0.00 -0.02 0.00 0.00 41.12 40.89 1fjg n ASP 47 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1fjg n LEU 48 N -1.46 2.77 -4.79 0.64 4.77 -0.58 -4.88 117.00 113.47 1fjg n LEU 48 Ca 0.01 0.49 -0.36 0.00 -0.03 0.00 0.00 56.01 56.13 1fjg n LEU 48 Cb 0.04 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.65 1fjg n LEU 48 CO 0.03 -2.38 -0.20 -0.89 -1.33 0.00 0.00 177.39 172.62 1fjg s THR 49 N -2.28 5.21 0.29 -5.08 2.01 -1.26 -4.94 115.64 109.59 1fjg s THR 49 Ca 0.67 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.80 1fjg s THR 49 Cb -0.27 -3.29 0.39 0.00 0.01 0.00 0.00 72.50 69.35 1fjg s THR 49 CO 0.57 0.56 1.46 1.21 -0.69 0.00 0.00 174.62 177.74 1fjg n GLU 50 N 2.49 -0.07 0.01 4.92 4.07 -1.26 0.17 120.64 130.97 1fjg n GLU 50 Ca -0.19 1.40 -0.12 0.00 -0.06 0.00 0.00 57.16 58.19 1fjg n GLU 50 Cb 0.54 -2.23 -0.06 0.00 -0.06 0.00 0.00 31.44 29.63 1fjg n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fjg h ALA 51 N 1.87 0.07 -0.50 4.31 0.00 -2.00 -2.09 119.26 120.92 1fjg h ALA 51 Ca 0.57 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.49 1fjg h ALA 51 Cb 1.20 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1fjg h ALA 51 CO -0.87 -0.40 0.24 0.93 0.00 0.00 0.00 179.25 179.15 1fjg h GLU 52 N 0.02 0.46 0.00 0.00 5.08 0.13 0.14 114.58 120.40 1fjg h GLU 52 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1fjg h GLU 52 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1fjg h GLU 52 CO -0.00 0.30 0.00 0.28 -1.00 0.00 0.00 179.01 178.59 1fjg h VAL 53 N 0.47 0.00 0.00 3.13 2.07 0.14 0.11 116.25 122.17 1fjg h VAL 53 Ca 0.22 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1fjg h VAL 53 Cb 0.15 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1fjg h VAL 53 CO -0.17 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.76 1fjg h VAL 54 N 0.00 0.47 -0.55 2.57 2.07 -0.08 -2.54 116.25 118.19 1fjg h VAL 54 Ca 0.00 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 66.22 1fjg h VAL 54 Cb 0.02 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1fjg h VAL 54 CO 0.00 0.16 0.08 0.03 0.02 0.00 0.00 177.57 177.86 1fjg h ARG 55 N -1.00 0.20 0.53 1.57 3.08 -0.92 0.64 114.38 118.48 1fjg h ARG 55 Ca -0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1fjg h ARG 55 Cb 0.46 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1fjg h ARG 55 CO -0.02 0.13 -0.36 1.25 -1.07 0.00 0.00 179.97 179.89 1fjg h LEU 56 N 0.20 -0.94 -1.23 3.04 6.46 -1.13 -1.75 115.31 119.96 1fjg h LEU 56 Ca 0.29 0.06 0.12 0.00 -0.12 0.00 0.00 57.88 58.23 1fjg h LEU 56 Cb 0.42 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.57 1fjg h LEU 56 CO -0.40 -0.54 0.58 -0.09 -0.62 0.00 0.00 178.44 177.36 1fjg h ARG 57 N -0.85 0.77 0.62 1.25 2.43 -1.04 -2.03 114.38 115.52 1fjg h ARG 57 Ca -0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1fjg h ARG 57 Cb 0.69 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1fjg h ARG 57 CO 0.05 0.51 -0.46 0.93 -1.51 0.00 0.00 179.97 179.49 1fjg h GLU 58 N 0.79 -1.00 0.00 0.20 4.39 0.57 -2.51 114.58 117.02 1fjg h GLU 58 Ca 0.44 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1fjg h GLU 58 Cb 0.57 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1fjg h GLU 58 CO -0.20 -0.66 0.00 0.98 -1.16 0.00 0.00 179.01 177.97 1fjg n TYR 59 N -5.29 0.00 -0.13 4.33 9.36 -0.68 -2.22 117.16 122.52 1fjg n TYR 59 Ca -0.13 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.06 1fjg n TYR 59 Cb 0.45 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 39.09 1fjg n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1fjg n VAL 60 N -0.82 -0.21 0.17 2.97 0.31 -0.79 0.15 118.33 120.11 1fjg n VAL 60 Ca 0.00 0.77 0.03 0.00 -0.01 0.00 0.00 64.34 65.13 1fjg n VAL 60 Cb 0.00 -0.96 0.39 0.00 -0.91 0.00 0.00 33.84 32.36 1fjg n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1fjg h GLU 61 N 0.00 0.08 0.00 5.55 5.08 -1.49 -2.92 114.58 120.87 1fjg h GLU 61 Ca 0.05 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 1fjg h GLU 61 Cb 0.13 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1fjg h GLU 61 CO -0.30 0.34 -2.13 0.09 -1.00 0.00 0.00 179.01 176.01 1fjg n ASN 62 N -4.20 0.10 0.11 1.42 5.03 0.31 -4.35 115.26 113.69 1fjg n ASN 62 Ca -0.02 0.04 0.13 0.00 0.87 0.00 0.00 54.58 55.60 1fjg n ASN 62 Cb 0.33 1.29 0.32 0.00 -1.02 0.00 0.00 39.78 40.70 1fjg n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fjg h THR 63 N 0.00 0.00 -4.56 3.41 1.03 0.14 -3.48 112.91 109.45 1fjg h THR 63 Ca -0.30 -0.57 -0.44 0.00 -0.01 0.00 0.00 66.41 65.10 1fjg h THR 63 Cb 1.70 1.48 -0.11 0.00 -1.07 0.00 0.00 68.15 70.14 1fjg h THR 63 CO 0.02 0.00 -0.42 0.79 -0.01 0.00 0.00 175.52 175.90 1fjg n TRP 64 N -2.37 -0.58 -3.90 0.00 8.01 -1.11 -5.03 117.44 112.46 1fjg n TRP 64 Ca 0.05 -2.47 -0.35 0.00 -1.31 0.00 0.00 57.50 53.42 1fjg n TRP 64 Cb 0.45 0.22 -0.14 0.00 -2.01 0.00 0.00 31.31 29.83 1fjg n TRP 64 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1fjg s LYS 65 N -3.23 2.36 0.26 -0.99 2.20 -1.26 -4.84 119.74 114.24 1fjg s LYS 65 Ca 0.33 -1.33 0.01 0.00 -0.36 0.00 0.00 55.97 54.61 1fjg s LYS 65 Cb 0.02 -3.21 -0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1fjg s LYS 65 CO 0.23 -0.67 0.03 1.28 -0.36 0.00 0.00 175.35 175.87 1fjg n LEU 66 N 4.60 0.00 0.00 5.43 4.77 -1.26 -4.70 117.00 125.84 1fjg n LEU 66 Ca -0.12 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1fjg n LEU 66 Cb 0.43 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1fjg n LEU 66 CO 0.27 -0.25 0.00 -0.62 -1.33 0.00 0.00 177.39 175.45 1fjg n GLU 67 N -0.63 0.00 -0.30 3.23 -0.58 -1.26 -2.40 120.64 118.70 1fjg n GLU 67 Ca -0.08 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1fjg n GLU 67 Cb 0.35 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.32 1fjg n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fjg n GLY 68 N 0.00 -1.45 0.35 0.62 0.00 -1.26 -0.42 105.19 103.04 1fjg n GLY 68 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 46.02 46.91 1fjg n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fjg h GLU 69 N 0.00 1.07 0.93 1.61 4.81 -1.93 -0.49 114.58 120.58 1fjg h GLU 69 Ca 0.38 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 1fjg h GLU 69 Cb 0.59 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.74 1fjg h GLU 69 CO -0.85 0.73 -0.45 1.25 -0.73 0.00 0.00 179.01 178.97 1fjg h LEU 70 N 1.10 -1.06 -0.72 1.64 6.46 -0.37 0.05 115.31 122.40 1fjg h LEU 70 Ca 0.29 0.04 0.16 0.00 -0.12 0.00 0.00 57.88 58.25 1fjg h LEU 70 Cb -0.08 0.27 -0.12 0.00 -0.73 0.00 0.00 40.66 40.00 1fjg h LEU 70 CO -0.06 -0.75 0.04 0.03 -0.62 0.00 0.00 178.44 177.08 1fjg h ARG 71 N -1.26 0.13 -0.38 1.25 3.08 -1.18 0.20 114.38 116.23 1fjg h ARG 71 Ca -0.13 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1fjg h ARG 71 Cb 0.96 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.93 1fjg h ARG 71 CO 0.21 0.09 0.05 0.00 -1.07 0.00 0.00 179.97 179.25 1fjg h ALA 72 N 1.66 0.38 -0.92 0.04 0.00 -0.77 -1.26 119.26 118.39 1fjg h ALA 72 Ca 0.40 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1fjg h ALA 72 Cb 0.69 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1fjg h ALA 72 CO -0.60 -0.36 0.00 -1.91 0.00 0.00 0.00 179.25 176.38 1fjg n GLU 73 N -5.13 0.00 -0.29 0.00 2.13 0.61 -0.97 120.64 116.99 1fjg n GLU 73 Ca 0.02 0.47 -0.02 0.00 0.66 0.00 0.00 57.16 58.28 1fjg n GLU 73 Cb 0.18 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.55 1fjg n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1fjg n VAL 74 N -1.74 -0.41 -0.22 6.31 0.31 -0.59 0.15 118.33 122.14 1fjg n VAL 74 Ca 0.00 1.74 -0.01 0.00 -0.01 0.00 0.00 64.34 66.07 1fjg n VAL 74 Cb 0.00 -2.27 0.11 0.00 -0.91 0.00 0.00 33.84 30.77 1fjg n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fjg h ALA 75 N 0.87 0.88 -0.83 3.52 0.00 -1.14 -0.19 119.26 122.37 1fjg h ALA 75 Ca 0.23 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1fjg h ALA 75 Cb 0.41 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1fjg h ALA 75 CO -0.72 -0.04 0.55 0.00 0.00 0.00 0.00 179.25 179.03 1fjg h ALA 76 N 1.38 1.48 0.08 0.00 0.00 0.32 -1.19 119.26 121.34 1fjg h ALA 76 Ca 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1fjg h ALA 76 Cb 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fjg h ALA 76 CO -0.23 0.44 -0.04 -0.91 0.00 0.00 0.00 179.25 178.51 1fjg h ASN 77 N 1.04 -0.09 -0.65 0.00 2.35 0.45 -0.40 115.58 118.27 1fjg h ASN 77 Ca 0.33 -0.28 0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1fjg h ASN 77 Cb 0.02 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1fjg h ASN 77 CO -0.09 0.24 0.44 0.40 -1.65 0.00 0.00 177.43 176.77 1fjg h ILE 78 N -0.43 0.82 0.01 2.81 2.04 -0.62 0.03 117.51 122.16 1fjg h ILE 78 Ca -0.01 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1fjg h ILE 78 Cb 0.37 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1fjg h ILE 78 CO 0.02 0.06 -0.52 0.50 0.00 0.00 0.00 178.15 178.21 1fjg h LYS 79 N 0.33 0.34 0.00 2.37 3.64 -1.08 -3.08 116.57 119.09 1fjg h LYS 79 Ca 0.31 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1fjg h LYS 79 Cb 0.76 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1fjg h LYS 79 CO -0.08 1.07 0.00 -2.13 -2.27 0.00 0.00 179.45 176.04 1fjg n ARG 80 N -4.29 0.00 0.31 1.90 0.63 -0.05 0.90 116.66 116.06 1fjg n ARG 80 Ca -0.10 0.29 0.12 0.00 -0.92 0.00 0.00 57.85 57.23 1fjg n ARG 80 Cb 0.64 -0.81 0.59 0.00 0.45 0.00 0.00 32.46 33.33 1fjg n ARG 80 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1fjg h LEU 81 N 0.00 0.00 0.00 6.15 -0.00 -1.63 0.75 115.31 120.59 1fjg h LEU 81 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 1fjg h LEU 81 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1fjg h LEU 81 CO 0.00 0.00 -1.07 -0.03 -0.00 0.00 0.00 178.44 177.34 1fjg h MET 82 N 0.00 0.13 0.00 0.17 4.05 -0.75 -3.22 114.93 115.31 1fjg h MET 82 Ca 0.02 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1fjg h MET 82 Cb 1.10 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 1fjg h MET 82 CO -0.00 1.07 0.00 -0.25 0.23 0.00 0.00 176.91 177.96 1fjg n ASP 83 N -3.46 0.00 -4.17 1.39 8.00 0.26 -4.64 116.55 113.93 1fjg n ASP 83 Ca -0.04 -1.31 -0.22 0.00 0.71 0.00 0.00 54.79 53.94 1fjg n ASP 83 Cb 0.95 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.92 1fjg n ASP 83 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1fjg s ILE 84 N -2.00 1.26 0.46 0.53 -4.36 -1.21 -5.01 121.20 110.87 1fjg s ILE 84 Ca 0.21 -1.04 0.23 0.00 -0.26 0.00 0.00 60.65 59.78 1fjg s ILE 84 Cb 0.10 -1.12 0.34 0.00 1.25 0.00 0.00 42.46 43.02 1fjg s ILE 84 CO 0.16 0.06 1.02 0.61 0.24 0.00 0.00 174.94 177.04 1fjg n GLY 85 N 1.90 -0.61 0.00 6.27 0.00 -1.26 -4.72 105.19 106.77 1fjg n GLY 85 Ca -0.18 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1fjg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjg h TYR 87 N 0.00 -1.14 -0.92 0.00 3.20 -1.88 0.98 116.97 117.21 1fjg h TYR 87 Ca 0.00 0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.17 1fjg h TYR 87 Cb 0.00 0.49 -0.15 0.00 1.54 0.00 0.00 36.73 38.61 1fjg h TYR 87 CO 0.00 -0.43 0.25 0.00 -1.64 0.00 0.00 178.16 176.33 1fjg h ARG 88 N -0.54 0.16 -0.35 1.82 3.08 -1.90 0.78 114.38 117.43 1fjg h ARG 88 Ca -0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1fjg h ARG 88 Cb 0.55 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 1fjg h ARG 88 CO -0.23 0.10 -0.23 0.78 -1.07 0.00 0.00 179.97 179.33 1fjg h GLY 89 N 0.16 -0.03 0.85 0.04 0.00 -0.98 0.12 103.07 103.24 1fjg h GLY 89 Ca 0.60 0.29 0.01 0.00 0.00 0.00 0.00 47.33 48.23 1fjg h GLY 89 CO -0.71 -0.20 -0.09 1.41 0.00 0.00 0.00 176.54 176.95 1fjg h LEU 90 N -0.18 -0.25 -1.33 3.11 3.38 0.17 -1.20 115.31 119.01 1fjg h LEU 90 Ca 0.18 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.38 1fjg h LEU 90 Cb 0.45 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1fjg h LEU 90 CO -0.46 -0.14 0.62 0.03 0.09 0.00 0.00 178.44 178.58 1fjg h ARG 91 N -0.19 0.51 -0.29 1.13 2.47 -0.17 0.26 114.38 118.10 1fjg h ARG 91 Ca 0.01 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.53 1fjg h ARG 91 Cb 0.20 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1fjg h ARG 91 CO -0.05 0.33 -0.49 0.45 0.56 0.00 0.00 179.97 180.78 1fjg h HIS 92 N 0.52 1.04 -0.56 3.04 3.86 0.10 0.14 115.15 123.28 1fjg h HIS 92 Ca 0.52 -0.36 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1fjg h HIS 92 Cb 1.14 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.38 1fjg h HIS 92 CO -0.00 1.18 0.33 0.00 0.86 0.00 0.00 177.93 180.29 1fjg h ARG 93 N 0.60 0.77 -0.31 2.45 3.08 0.50 -2.48 114.38 118.99 1fjg h ARG 93 Ca 0.02 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1fjg h ARG 93 Cb 1.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1fjg h ARG 93 CO 0.11 0.57 -0.28 0.00 -1.07 0.00 0.00 179.97 179.30 1fjg h ARG 94 N 0.76 0.63 0.00 0.04 2.47 -0.60 -3.47 114.38 114.21 1fjg h ARG 94 Ca 0.20 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1fjg h ARG 94 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1fjg h ARG 94 CO -0.04 0.84 0.00 0.41 0.56 0.00 0.00 179.97 181.74 1fjg n GLY 95 N -0.22 0.66 3.93 0.04 0.00 0.41 -5.06 105.19 104.95 1fjg n GLY 95 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 1fjg n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fjg s LEU 96 N 0.00 4.27 0.60 0.99 1.43 -0.76 -4.16 118.68 121.05 1fjg s LEU 96 Ca 0.00 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1fjg s LEU 96 Cb 0.00 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 1fjg s LEU 96 CO 0.00 0.04 0.34 -0.81 0.23 0.00 0.00 176.35 176.15 1fjg n PRO 97 N -0.65 0.35 -0.14 1.29 -0.04 -1.26 -4.46 135.00 130.09 1fjg n PRO 97 Ca -0.07 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.58 1fjg n PRO 97 Cb 0.54 -1.55 0.12 0.00 -0.04 0.00 0.00 33.50 32.58 1fjg n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1fjg n VAL 98 N -1.81 1.53 -2.52 0.52 0.31 -1.26 -4.74 118.33 110.37 1fjg n VAL 98 Ca 0.10 -1.58 -0.15 0.00 -0.01 0.00 0.00 64.34 62.70 1fjg n VAL 98 Cb 0.48 0.12 0.02 0.00 -0.91 0.00 0.00 33.84 33.55 1fjg n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fjg n ARG 99 N -0.62 2.42 -3.89 5.55 1.74 -1.26 -4.89 116.66 115.71 1fjg n ARG 99 Ca 0.11 -3.85 -0.29 0.00 -0.77 0.00 0.00 57.85 53.06 1fjg n ARG 99 Cb 0.53 -1.82 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1fjg n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fjg n GLY 100 N -0.43 -0.47 3.94 -0.13 0.00 -1.26 -5.00 105.19 101.84 1fjg n GLY 100 Ca 0.24 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1fjg n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fjg s GLN 101 N -6.54 3.49 0.40 1.61 1.11 -1.26 -5.06 119.66 113.40 1fjg s GLN 101 Ca 0.58 -0.42 -0.25 0.00 0.01 0.00 0.00 55.36 55.27 1fjg s GLN 101 Cb -0.29 -2.75 -0.08 0.00 -1.01 0.00 0.00 33.01 28.87 1fjg s GLN 101 CO 0.83 0.27 1.16 -0.98 0.01 0.00 0.00 175.29 176.58 1fjg s ARG 102 N -3.99 4.08 0.00 2.91 1.70 -1.26 -4.94 118.95 117.45 1fjg s ARG 102 Ca 0.38 1.81 0.06 0.00 -0.47 0.00 0.00 55.73 57.51 1fjg s ARG 102 Cb -0.10 -2.67 -0.00 0.00 -0.57 0.00 0.00 34.95 31.60 1fjg s ARG 102 CO 0.33 -0.29 0.48 0.25 -1.08 0.00 0.00 175.30 174.98 1fjg n THR 103 N 0.08 0.00 0.27 4.99 -2.24 -1.26 -4.49 114.28 111.63 1fjg n THR 103 Ca 0.04 -0.43 0.14 0.00 -2.27 0.00 0.00 64.05 61.53 1fjg n THR 103 Cb 0.47 1.07 0.77 0.00 -2.10 0.00 0.00 70.33 70.54 1fjg n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1fjg h ARG 104 N 0.64 0.00 0.00 -0.78 2.43 -2.03 -3.45 114.38 111.19 1fjg h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1fjg h ARG 104 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1fjg h ARG 104 CO 0.00 0.09 0.00 0.25 -1.51 0.00 0.00 179.97 178.80 1fjg n THR 105 N -3.61 0.00 -1.50 0.20 -2.24 -1.26 -5.05 114.28 100.82 1fjg n THR 105 Ca -0.02 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1fjg n THR 105 Cb 0.21 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1fjg n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1fjg n ASN 106 N 0.00 0.38 -0.71 3.42 3.02 -1.26 -4.43 115.26 115.68 1fjg n ASN 106 Ca 0.00 0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.66 1fjg n ASN 106 Cb 0.00 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 1fjg n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fjg n ALA 107 N 10.75 2.27 -0.04 5.41 0.00 -1.26 -4.73 120.51 132.90 1fjg n ALA 107 Ca 0.65 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1fjg n ALA 107 Cb 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1fjg n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjg h ARG 108 N 0.00 0.24 -0.19 0.00 2.47 -1.86 0.33 114.38 115.37 1fjg h ARG 108 Ca -0.28 -0.07 0.06 0.00 -1.26 0.00 0.00 59.98 58.43 1fjg h ARG 108 Cb 1.06 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.35 1fjg h ARG 108 CO -0.14 0.43 0.33 0.00 0.56 0.00 0.00 179.97 181.14 1fjg h THR 109 N 0.02 0.24 0.00 2.04 1.03 -1.94 0.55 112.91 114.85 1fjg h THR 109 Ca 0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 66.41 66.00 1fjg h THR 109 Cb 0.30 0.71 -0.07 0.00 -1.07 0.00 0.00 68.15 68.02 1fjg h THR 109 CO 0.00 0.00 -2.51 -1.14 -0.01 0.00 0.00 175.52 171.86 1fjg n ARG 110 N -3.39 0.58 0.29 0.00 3.00 -1.03 -4.45 116.66 111.65 1fjg n ARG 110 Ca 0.02 0.24 0.18 0.00 -0.00 0.00 0.00 57.85 58.29 1fjg n ARG 110 Cb 0.44 -1.47 0.87 0.00 0.00 0.00 0.00 32.46 32.30 1fjg n ARG 110 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1fjg h LYS 111 N -0.84 0.00 0.00 -0.14 1.57 0.12 -3.46 116.57 113.83 1fjg h LYS 111 Ca -0.67 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1fjg h LYS 111 Cb 1.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.95 1fjg h LYS 111 CO -0.37 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 178.95 1fjg n GLY 112 N -0.51 -1.44 3.67 3.86 0.00 0.19 -4.94 105.19 106.03 1fjg n GLY 112 Ca -0.01 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1fjg n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fjg n PRO 113 N 0.00 1.72 -2.39 1.61 -0.02 -1.26 -4.70 135.00 129.95 1fjg n PRO 113 Ca 0.00 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 1fjg n PRO 113 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 1fjg n PRO 113 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1fjg s ARG 114 N -2.17 3.95 -0.95 -0.52 3.52 -1.26 -4.97 118.95 116.54 1fjg s ARG 114 Ca 0.62 1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 57.48 1fjg s ARG 114 Cb -0.52 -3.88 0.24 0.00 -1.56 0.00 0.00 34.95 29.23 1fjg s ARG 114 CO 0.57 -1.08 0.89 -1.59 -0.81 0.00 0.00 175.30 173.28 1fjg s LYS 115 N 4.12 3.70 0.69 5.12 -2.85 -1.26 -5.07 119.74 124.19 1fjg s LYS 115 Ca 0.57 -2.98 -0.17 0.00 -1.00 0.00 0.00 55.97 52.39 1fjg s LYS 115 Cb -0.18 -4.31 -0.03 0.00 -2.06 0.00 0.00 37.83 31.24 1fjg s LYS 115 CO 0.22 -1.25 0.72 2.41 0.10 0.00 0.00 175.35 177.55 1fjg n THR 116 N 3.00 2.43 -4.24 3.79 -1.04 -1.26 -5.06 114.28 111.91 1fjg n THR 116 Ca 0.19 -0.42 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 1fjg n THR 116 Cb 0.40 -0.89 -0.10 0.00 -1.82 0.00 0.00 70.33 67.92 1fjg n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1fjg s VAL 117 N -1.80 0.66 0.19 12.58 1.01 -1.26 -5.16 120.40 126.61 1fjg s VAL 117 Ca 0.70 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.67 1fjg s VAL 117 Cb -0.37 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 33.91 1fjg s VAL 117 CO 0.54 -0.45 0.13 0.00 0.00 0.00 0.00 175.10 175.31 1fjg n ALA 118 N -0.25 -0.61 -3.00 5.51 0.00 -1.26 -5.06 120.51 115.85 1fjg n ALA 118 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1fjg n ALA 118 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1fjg n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fjg n GLY 119 N 0.15 1.06 3.19 0.00 0.00 -1.26 -5.10 105.19 103.24 1fjg n GLY 119 Ca 0.02 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1fjg n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fjg s LYS 120 N -1.31 2.63 0.00 1.61 2.20 -1.26 -5.01 119.74 118.59 1fjg s LYS 120 Ca 0.00 -2.08 0.00 0.00 -0.36 0.00 0.00 55.97 53.53 1fjg s LYS 120 Cb 0.00 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 1fjg s LYS 120 CO 0.00 -1.19 0.34 1.63 -0.36 0.00 0.00 175.35 175.76 1fjg n LYS 121 N 4.36 0.00 -1.29 4.03 5.02 -1.26 -4.56 118.16 124.46 1fjg n LYS 121 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1fjg n LYS 121 Cb 0.41 -0.83 -0.10 0.00 -0.02 0.00 0.00 35.03 34.48 1fjg n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1fjg n LYS 122 N -0.49 0.05 0.00 1.97 3.00 -1.26 -4.40 118.16 117.03 1fjg n LYS 122 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1fjg n LYS 122 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1fjg n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjg n ALA 123 N 7.49 0.00 -1.40 3.14 0.00 -1.26 -5.06 120.51 123.42 1fjg n ALA 123 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.63 1fjg n ALA 123 Cb 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.68 1fjg n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1fjg n PRO 124 N 0.00 0.13 0.00 0.00 -0.02 -1.26 -4.70 135.00 129.15 1fjg n PRO 124 Ca 0.00 -0.39 0.04 0.00 -2.02 0.00 0.00 63.50 61.13 1fjg n PRO 124 Cb 0.00 -1.94 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 1fjg n PRO 124 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1fjg n ARG 125 N 6.29 0.17 0.00 -0.52 -4.01 -1.26 -5.23 116.66 112.09 1fjg n ARG 125 Ca 0.44 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 57.39 1fjg n ARG 125 Cb 0.33 -1.50 0.01 0.00 -3.04 0.00 0.00 32.46 28.26 1fjg n ARG 125 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22