#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g1e s VAL 2 N 0.00 2.00 -0.33 3.17 -7.23 0.64 -4.78 120.40 113.88 2g1e s VAL 2 Ca 0.00 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.94 2g1e s VAL 2 Cb 0.00 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 2g1e s VAL 2 CO 0.00 0.56 0.59 -0.89 -0.31 0.00 0.00 175.10 175.04 2g1e s THR 3 N -0.09 4.96 -0.03 5.32 2.01 -0.76 -0.71 115.64 126.34 2g1e s THR 3 Ca -0.05 0.65 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 2g1e s THR 3 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2g1e s THR 3 CO 0.04 -0.18 0.11 0.68 -0.69 0.00 0.00 174.62 174.58 2g1e s VAL 4 N 2.54 4.98 0.10 3.82 -7.23 0.83 -0.26 120.40 125.18 2g1e s VAL 4 Ca 0.23 -0.24 0.08 0.00 -1.81 0.00 0.00 61.98 60.23 2g1e s VAL 4 Cb -0.15 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 2g1e s VAL 4 CO 0.13 0.41 -0.13 -0.13 -0.31 0.00 0.00 175.10 175.06 2g1e s ARG 5 N -1.60 2.02 -0.13 4.82 0.52 0.59 -1.99 118.95 123.18 2g1e s ARG 5 Ca 0.22 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2g1e s ARG 5 Cb -0.12 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.13 2g1e s ARG 5 CO 0.13 0.50 -0.17 0.71 0.02 0.00 0.00 175.30 176.49 2g1e s TYR 6 N -1.16 2.23 0.00 -0.53 2.02 -1.22 -1.76 117.35 116.94 2g1e s TYR 6 Ca 0.19 -1.16 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 2g1e s TYR 6 Cb -0.11 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2g1e s TYR 6 CO 0.11 -0.59 0.00 0.66 -1.57 0.00 0.00 175.55 174.16 2g1e n TYR 7 N 4.40 0.00 0.00 2.71 4.01 -0.77 -4.65 117.16 122.86 2g1e n TYR 7 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2g1e n TYR 7 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g1e n ALA 8 N -2.03 0.00 0.21 -0.72 0.00 -1.23 -4.66 120.51 112.09 2g1e n ALA 8 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2g1e n ALA 8 Cb 0.31 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.89 2g1e n ALA 8 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g1e n THR 9 N -0.45 1.56 0.10 0.00 -2.24 -1.26 -2.07 114.28 109.92 2g1e n THR 9 Ca 0.00 0.39 0.02 0.00 -2.27 0.00 0.00 64.05 62.18 2g1e n THR 9 Cb 0.00 -1.28 0.36 0.00 -2.10 0.00 0.00 70.33 67.30 2g1e n THR 9 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2g1e h LEU 10 N 0.00 0.25 0.16 3.22 5.85 -1.95 -2.75 115.31 120.09 2g1e h LEU 10 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2g1e h LEU 10 Cb 0.10 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2g1e h LEU 10 CO 0.00 0.44 -0.40 0.03 -0.34 0.00 0.00 178.44 178.16 2g1e h ARG 11 N 0.25 -0.60 0.00 1.25 3.08 -1.68 0.52 114.38 117.20 2g1e h ARG 11 Ca 0.05 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2g1e h ARG 11 Cb 0.43 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2g1e h ARG 11 CO 0.03 -0.40 0.00 -0.35 -1.07 0.00 0.00 179.97 178.18 2g1e n PRO 12 N -4.76 0.12 -0.01 0.04 -0.04 -1.20 -0.06 135.00 129.08 2g1e n PRO 12 Ca -0.07 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2g1e n PRO 12 Cb 0.32 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 2g1e n PRO 12 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2g1e h ILE 13 N 0.00 0.87 0.00 0.52 2.04 -0.89 -3.37 117.51 116.69 2g1e h ILE 13 Ca 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2g1e h ILE 13 Cb 0.19 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2g1e h ILE 13 CO 0.00 0.50 -1.25 0.35 0.00 0.00 0.00 178.15 177.75 2g1e n THR 14 N -3.05 0.00 -2.79 -0.27 -2.24 0.04 -5.00 114.28 100.97 2g1e n THR 14 Ca -0.14 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 2g1e n THR 14 Cb 1.01 0.48 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 2g1e n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g1e n LYS 15 N -1.73 -3.64 -4.39 -0.78 5.02 0.91 -4.99 118.16 108.56 2g1e n LYS 15 Ca -0.01 0.79 -0.23 0.00 -2.02 0.00 0.00 58.31 56.85 2g1e n LYS 15 Cb 0.29 -5.34 -0.08 0.00 -0.02 0.00 0.00 35.03 29.88 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2g1e s LYS 16 N -5.40 1.88 -0.03 1.97 3.01 -1.22 -5.06 119.74 114.89 2g1e s LYS 16 Ca 0.21 -2.13 0.01 0.00 -1.01 0.00 0.00 55.97 53.05 2g1e s LYS 16 Cb -0.09 -0.04 -0.02 0.00 -1.01 0.00 0.00 37.83 36.67 2g1e s LYS 16 CO 0.26 -0.62 -0.01 1.63 0.51 0.00 0.00 175.35 177.12 2g1e n LYS 17 N -0.78 1.58 -3.67 1.68 4.01 -1.26 -4.79 118.16 114.94 2g1e n LYS 17 Ca 0.02 0.01 -0.15 0.00 -0.51 0.00 0.00 58.31 57.68 2g1e n LYS 17 Cb 0.63 -1.06 -0.08 0.00 -0.51 0.00 0.00 35.03 34.01 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2g1e s GLU 18 N -2.06 0.80 0.12 1.97 -6.30 -1.26 -3.44 118.70 108.53 2g1e s GLU 18 Ca -0.03 0.02 -0.06 0.00 -2.50 0.00 0.00 54.97 52.39 2g1e s GLU 18 Cb 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 34.13 34.49 2g1e s GLU 18 CO 0.08 -0.23 0.16 -2.00 0.02 0.00 0.00 175.26 173.30 2g1e s GLU 19 N -1.19 0.93 0.14 4.30 2.56 -0.84 -5.01 118.70 119.59 2g1e s GLU 19 Ca -0.12 -1.15 0.10 0.00 0.00 0.00 0.00 54.97 53.80 2g1e s GLU 19 Cb -0.03 0.32 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 2g1e s GLU 19 CO 0.06 -0.29 -0.23 0.95 -0.56 0.00 0.00 175.26 175.18 2g1e s THR 20 N -3.94 2.46 0.15 -1.70 -4.23 -1.26 -0.12 115.64 107.01 2g1e s THR 20 Ca 0.13 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2g1e s THR 20 Cb 0.05 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2g1e s THR 20 CO -0.05 0.04 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.70 2g1e s PHE 21 N -1.23 1.13 -0.04 3.99 0.08 0.11 -4.93 117.98 117.09 2g1e s PHE 21 Ca 0.17 -1.00 -0.06 0.00 0.12 0.00 0.00 56.93 56.15 2g1e s PHE 21 Cb -0.10 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.72 2g1e s PHE 21 CO 0.08 -0.21 0.16 0.54 -0.10 0.00 0.00 175.22 175.69 2g1e s ASN 22 N -3.14 -0.10 0.00 1.36 4.22 -1.26 -0.26 114.94 115.76 2g1e s ASN 22 Ca 0.21 0.13 0.00 0.00 -2.14 0.00 0.00 52.86 51.07 2g1e s ASN 22 Cb 0.06 0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.88 2g1e s ASN 22 CO 0.02 -0.18 0.00 0.61 -2.04 0.00 0.00 177.10 175.51 2g1e n GLY 23 N 2.41 3.10 3.75 0.45 0.00 -1.26 -5.05 105.19 108.58 2g1e n GLY 23 Ca -0.16 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 2g1e n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g1e s ILE 24 N -0.57 3.39 0.00 -0.61 1.01 -1.26 -4.92 121.20 118.24 2g1e s ILE 24 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 60.65 61.95 2g1e s ILE 24 Cb 0.00 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2g1e s ILE 24 CO 0.00 0.27 0.63 -1.20 0.00 0.00 0.00 174.94 174.64 2g1e n SER 25 N 1.65 0.65 -3.93 3.58 7.64 -1.26 -4.94 113.62 117.01 2g1e n SER 25 Ca 0.01 -1.31 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 2g1e n SER 25 Cb 0.44 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.55 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2g1e s LYS 26 N -0.31 0.60 0.10 1.43 -0.14 -1.26 -3.97 119.74 116.19 2g1e s LYS 26 Ca 0.00 -0.78 -0.16 0.00 -1.36 0.00 0.00 55.97 53.67 2g1e s LYS 26 Cb 0.00 0.23 -0.05 0.00 -1.68 0.00 0.00 37.83 36.33 2g1e s LYS 26 CO 0.00 -0.15 1.52 0.82 -0.76 0.00 0.00 175.35 176.78 2g1e h ILE 27 N 3.60 1.27 -0.15 2.17 1.08 -1.49 -1.96 117.51 122.04 2g1e h ILE 27 Ca -0.33 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.13 2g1e h ILE 27 Cb 1.18 1.30 -0.06 0.00 -3.07 0.00 0.00 36.82 36.17 2g1e h ILE 27 CO 0.51 0.34 -0.26 -1.28 -0.69 0.00 0.00 178.15 176.78 2g1e h SER 28 N 0.39 -0.81 0.24 1.72 0.87 -1.78 0.13 113.55 114.31 2g1e h SER 28 Ca 0.09 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2g1e h SER 28 Cb 0.52 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2g1e h SER 28 CO 0.03 -0.31 -0.23 -0.33 -0.53 0.00 0.00 176.83 175.46 2g1e h GLU 29 N -0.32 0.00 0.05 2.24 4.39 -1.84 -2.53 114.58 116.57 2g1e h GLU 29 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2g1e h GLU 29 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2g1e h GLU 29 CO -0.33 0.23 -0.02 1.25 -1.16 0.00 0.00 179.01 178.97 2g1e h LEU 30 N 0.00 -0.06 -1.84 1.33 7.12 -0.29 -1.70 115.31 119.87 2g1e h LEU 30 Ca -0.00 -0.32 -0.00 0.00 0.13 0.00 0.00 57.88 57.68 2g1e h LEU 30 Cb 0.41 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 2g1e h LEU 30 CO 0.03 0.30 0.05 -0.07 -0.13 0.00 0.00 178.44 178.61 2g1e h LEU 31 N -0.42 0.13 0.03 2.25 4.07 -0.67 -1.95 115.31 118.76 2g1e h LEU 31 Ca -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2g1e h LEU 31 Cb 0.38 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2g1e h LEU 31 CO 0.01 0.12 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.15 2g1e h GLU 32 N 0.15 -0.04 -0.28 1.13 4.39 -1.31 -2.66 114.58 115.95 2g1e h GLU 32 Ca 0.04 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2g1e h GLU 32 Cb 0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2g1e h GLU 32 CO -0.00 0.46 0.19 -0.09 -1.16 0.00 0.00 179.01 178.40 2g1e h ARG 33 N -0.57 0.20 0.01 2.33 9.65 -0.99 -1.90 114.38 123.11 2g1e h ARG 33 Ca -0.00 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2g1e h ARG 33 Cb 0.52 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 2g1e h ARG 33 CO 0.01 0.13 -0.01 -0.07 2.80 0.00 0.00 179.97 182.83 2g1e h LEU 34 N 0.20 -0.01 -1.18 3.80 4.07 -1.31 0.28 115.31 121.15 2g1e h LEU 34 Ca 0.12 -0.38 0.04 0.00 0.08 0.00 0.00 57.88 57.73 2g1e h LEU 34 Cb 0.23 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 2g1e h LEU 34 CO -0.02 0.38 0.56 0.50 -1.08 0.00 0.00 178.44 178.78 2g1e h LYS 35 N -0.41 1.03 0.15 1.13 3.64 -1.07 0.32 116.57 121.36 2g1e h LYS 35 Ca -0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2g1e h LYS 35 Cb 0.40 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2g1e h LYS 35 CO 0.00 0.68 -0.07 0.28 -2.27 0.00 0.00 179.45 178.07 2g1e h VAL 36 N 1.06 0.67 -0.42 2.00 2.07 -1.30 0.04 116.25 120.37 2g1e h VAL 36 Ca 0.34 -1.17 0.09 0.00 0.82 0.00 0.00 66.70 66.78 2g1e h VAL 36 Cb 0.04 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2g1e h VAL 36 CO -0.10 0.19 -0.12 -0.08 0.02 0.00 0.00 177.57 177.47 2g1e h GLU 37 N -0.95 -0.02 0.00 1.57 4.57 -0.35 0.17 114.58 119.57 2g1e h GLU 37 Ca -0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2g1e h GLU 37 Cb 0.47 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2g1e h GLU 37 CO 0.03 -0.02 -0.31 1.88 -1.18 0.00 0.00 179.01 179.42 2g1e h TYR 38 N -0.02 0.00 0.00 0.92 0.05 -1.05 -3.50 116.97 113.37 2g1e h TYR 38 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2g1e h TYR 38 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2g1e h TYR 38 CO -0.38 0.31 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 2g1e n GLY 39 N 0.42 -1.84 0.13 3.88 0.00 0.04 -4.30 105.19 103.52 2g1e n GLY 39 Ca 0.01 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 2g1e n GLY 39 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2g1e h SER 40 N 0.00 0.03 -0.89 1.61 0.02 -1.87 -3.19 113.55 109.25 2g1e h SER 40 Ca 0.00 -0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.12 2g1e h SER 40 Cb 0.00 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.42 2g1e h SER 40 CO 0.00 0.70 0.44 -0.08 -1.14 0.00 0.00 176.83 176.75 2g1e h GLU 41 N 0.02 0.51 -0.12 3.45 4.57 -1.92 0.27 114.58 121.37 2g1e h GLU 41 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2g1e h GLU 41 Cb 1.20 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2g1e h GLU 41 CO 0.09 0.34 -0.06 0.35 -1.18 0.00 0.00 179.01 178.55 2g1e h PHE 42 N 0.53 0.29 -0.76 0.92 3.57 -1.74 0.25 116.94 120.00 2g1e h PHE 42 Ca 0.53 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.98 2g1e h PHE 42 Cb 0.91 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2g1e h PHE 42 CO -0.10 0.59 0.50 1.15 -2.23 0.00 0.00 178.31 178.22 2g1e h THR 43 N -0.10 1.17 -0.09 4.41 2.02 -1.26 -0.89 112.91 118.17 2g1e h THR 43 Ca 0.03 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 2g1e h THR 43 Cb 0.51 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2g1e h THR 43 CO 0.02 0.18 -0.48 0.11 0.37 0.00 0.00 175.52 175.72 2g1e h LYS 44 N 1.00 0.48 0.00 6.66 1.57 -0.50 0.34 116.57 126.12 2g1e h LYS 44 Ca 0.29 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2g1e h LYS 44 Cb -0.08 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2g1e h LYS 44 CO -0.08 1.03 -0.00 1.96 -0.57 0.00 0.00 179.45 181.79 2g1e h GLN 45 N 0.05 0.00 0.00 3.15 1.08 -0.27 -2.48 115.11 116.63 2g1e h GLN 45 Ca -0.03 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.82 2g1e h GLN 45 Cb 1.13 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.49 2g1e h GLN 45 CO 0.10 0.00 -2.30 -1.33 -0.95 0.00 0.00 178.83 174.35 2g1e n MET 46 N -3.14 0.83 -2.03 1.46 2.81 -0.36 -4.90 117.12 111.79 2g1e n MET 46 Ca -0.02 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 2g1e n MET 46 Cb 0.11 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2g1e s TYR 47 N -2.46 1.87 -0.54 2.03 1.51 0.12 -4.76 117.35 115.12 2g1e s TYR 47 Ca -0.18 0.61 0.04 0.00 -1.01 0.00 0.00 57.07 56.53 2g1e s TYR 47 Cb 0.07 -4.14 0.13 0.00 -0.11 0.00 0.00 41.96 37.91 2g1e s TYR 47 CO 0.68 -2.89 0.29 0.34 -1.11 0.00 0.00 175.55 172.86 2g1e s ASP 48 N 5.78 4.41 0.00 2.29 2.15 -1.26 -4.86 116.67 125.18 2g1e s ASP 48 Ca 0.78 -3.06 0.00 0.00 0.43 0.00 0.00 52.55 50.70 2g1e s ASP 48 Cb -0.22 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 2g1e s ASP 48 CO 0.34 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 2g1e n GLY 49 N 3.05 2.20 1.81 2.66 0.00 -1.26 -4.77 105.19 108.89 2g1e n GLY 49 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2g1e n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g1e n ASN 50 N 0.35 0.04 -4.65 1.61 5.15 -1.26 -5.13 115.26 111.37 2g1e n ASN 50 Ca 0.00 0.30 -0.24 0.00 -0.60 0.00 0.00 54.58 54.04 2g1e n ASN 50 Cb 0.00 0.19 -0.08 0.00 -0.53 0.00 0.00 39.78 39.36 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2g1e s ASN 51 N -4.87 4.33 0.05 1.20 -0.87 -1.26 -5.04 114.94 108.49 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.43 2g1e s ASN 51 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.25 40.60 2g1e s ASN 51 CO 0.00 -0.17 0.00 -0.11 -2.57 0.00 0.00 177.10 174.25 2g1e n LEU 52 N -0.96 -0.09 0.01 0.60 -0.00 -1.26 -4.44 117.00 110.86 2g1e n LEU 52 Ca -0.05 0.09 0.20 0.00 -0.00 0.00 0.00 56.01 56.25 2g1e n LEU 52 Cb 0.61 0.16 0.69 0.00 -0.00 0.00 0.00 43.42 44.88 2g1e n LEU 52 CO 0.42 -0.54 1.18 -0.26 -0.00 0.00 0.00 177.39 178.19 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 0.04 -1.95 0.54 116.94 117.53 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2g1e h PHE 53 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2g1e h PHE 53 CO 0.00 0.00 0.00 1.57 -0.60 0.00 0.00 178.31 179.28 2g1e h LYS 54 N 0.00 0.00 0.00 1.51 2.10 -2.01 -2.75 116.57 115.42 2g1e h LYS 54 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 2g1e h LYS 54 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 2g1e h LYS 54 CO -0.00 0.00 -0.52 0.09 -2.00 0.00 0.00 179.45 177.02 2g1e n ASN 55 N -2.77 2.44 -4.55 7.07 4.13 0.11 -5.06 115.26 116.64 2g1e n ASN 55 Ca -0.01 -0.26 -0.42 0.00 1.68 0.00 0.00 54.58 55.57 2g1e n ASN 55 Cb 0.16 1.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.42 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 2g1e n VAL 56 N -1.26 2.17 -3.88 2.41 3.14 0.15 -4.56 118.33 116.49 2g1e n VAL 56 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 2g1e n VAL 56 Cb 0.01 -0.90 -0.14 0.00 -1.06 0.00 0.00 33.84 31.76 2g1e n VAL 56 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 2g1e s ILE 57 N -1.29 3.22 -0.12 1.55 1.10 -1.23 -4.96 121.20 119.47 2g1e s ILE 57 Ca 0.63 -1.12 0.03 0.00 -0.51 0.00 0.00 60.65 59.68 2g1e s ILE 57 Cb -0.61 -2.74 0.01 0.00 0.15 0.00 0.00 42.46 39.27 2g1e s ILE 57 CO 0.58 0.02 -0.21 0.27 -2.11 0.00 0.00 174.94 173.48 2g1e s ILE 58 N 1.34 1.91 -0.23 2.00 -0.00 -1.26 -2.47 121.20 122.49 2g1e s ILE 58 Ca -0.02 -0.91 -0.09 0.00 -0.00 0.00 0.00 60.65 59.64 2g1e s ILE 58 Cb -0.18 -1.68 -0.04 0.00 -0.00 0.00 0.00 42.46 40.55 2g1e s ILE 58 CO -0.01 0.52 0.10 -0.76 -0.00 0.00 0.00 174.94 174.80 2g1e s LEU 59 N 0.67 3.82 -0.20 0.37 1.43 -1.01 -3.92 118.68 119.83 2g1e s LEU 59 Ca -0.12 0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.89 2g1e s LEU 59 Cb -0.16 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2g1e s LEU 59 CO 0.02 0.07 0.12 0.54 0.23 0.00 0.00 176.35 177.33 2g1e s VAL 60 N 1.02 5.29 -1.86 -1.59 0.11 0.88 -1.85 120.40 122.41 2g1e s VAL 60 Ca 0.05 0.15 -0.23 0.00 -2.93 0.00 0.00 61.98 59.02 2g1e s VAL 60 Cb -0.14 -3.42 0.23 0.00 -1.53 0.00 0.00 36.38 31.52 2g1e s VAL 60 CO 0.04 0.43 0.62 -0.46 -3.33 0.00 0.00 175.10 172.40 2g1e n ASN 61 N 3.63 -2.04 -2.32 3.54 6.94 0.85 -1.44 115.26 124.41 2g1e n ASN 61 Ca -0.16 -1.21 -0.05 0.00 -0.02 0.00 0.00 54.58 53.14 2g1e n ASN 61 Cb 0.52 -1.76 0.02 0.00 -2.36 0.00 0.00 39.78 36.21 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2g1e n GLY 62 N -1.10 -0.31 3.65 4.83 0.00 -1.26 -4.99 105.19 106.00 2g1e n GLY 62 Ca 0.11 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 2g1e n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g1e s ASN 63 N -2.96 -0.02 -0.06 1.61 3.84 -0.52 -5.14 114.94 111.68 2g1e s ASN 63 Ca 0.15 0.02 -0.27 0.00 0.21 0.00 0.00 52.86 52.97 2g1e s ASN 63 Cb -0.02 0.01 -0.03 0.00 -0.55 0.00 0.00 41.25 40.67 2g1e s ASN 63 CO 0.36 -0.02 0.84 0.54 -2.79 0.00 0.00 177.10 176.04 2g1e s ASN 64 N -1.17 7.14 0.26 -4.21 2.20 -1.26 -0.08 114.94 117.82 2g1e s ASN 64 Ca 0.10 1.38 0.13 0.00 -0.94 0.00 0.00 52.86 53.53 2g1e s ASN 64 Cb -0.01 -2.49 0.24 0.00 -2.00 0.00 0.00 41.25 36.99 2g1e s ASN 64 CO -0.08 -0.24 1.53 0.16 -2.94 0.00 0.00 177.10 175.54 2g1e h ILE 65 N 4.86 1.25 -0.41 0.54 3.07 -1.82 -3.15 117.51 121.85 2g1e h ILE 65 Ca -0.38 -2.32 0.12 0.00 1.55 0.00 0.00 64.86 63.83 2g1e h ILE 65 Cb 1.19 2.32 -0.02 0.00 -0.27 0.00 0.00 36.82 40.05 2g1e h ILE 65 CO 0.77 0.62 0.38 0.71 -1.05 0.00 0.00 178.15 179.58 2g1e h THR 66 N 0.00 0.49 -0.98 0.16 1.35 -1.88 0.81 112.91 112.86 2g1e h THR 66 Ca -0.01 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.20 2g1e h THR 66 Cb 1.27 0.71 -0.30 0.00 -1.73 0.00 0.00 68.15 68.10 2g1e h THR 66 CO 0.08 0.00 0.74 -0.24 -0.25 0.00 0.00 175.52 175.85 2g1e n SER 67 N -3.91 7.25 0.00 5.36 2.88 -1.19 -4.74 113.62 119.26 2g1e n SER 67 Ca 0.07 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.83 2g1e n SER 67 Cb 0.56 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2g1e n SER 67 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2g1e n MET 68 N -0.92 0.00 -4.29 -1.46 0.00 0.11 -5.04 117.12 105.53 2g1e n MET 68 Ca 0.61 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 58.14 2g1e n MET 68 Cb 0.74 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.86 2g1e n MET 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2g1e s LYS 69 N 0.00 1.16 0.00 2.12 2.47 -0.22 -5.07 119.74 120.19 2g1e s LYS 69 Ca 0.00 -1.43 0.00 0.00 -1.56 0.00 0.00 55.97 52.98 2g1e s LYS 69 Cb 0.00 -0.93 0.00 0.00 -1.46 0.00 0.00 37.83 35.44 2g1e s LYS 69 CO 0.00 0.16 0.00 0.41 0.16 0.00 0.00 175.35 176.08 2g1e n GLY 70 N -0.01 -0.23 0.13 5.54 0.00 -1.26 -4.02 105.19 105.33 2g1e n GLY 70 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 2g1e n GLY 70 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2g1e h LEU 71 N 0.00 0.00 -1.27 0.99 8.10 -1.98 -3.28 115.31 117.87 2g1e h LEU 71 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2g1e h LEU 71 CO 0.00 0.21 0.00 -0.67 -4.11 0.00 0.00 178.44 173.87 2g1e n ASP 72 N -2.86 1.84 -4.77 0.17 2.03 -1.26 -3.26 116.55 108.44 2g1e n ASP 72 Ca -0.02 -1.99 -0.41 0.00 0.52 0.00 0.00 54.79 52.89 2g1e n ASP 72 Cb 0.65 -0.23 -0.01 0.00 -0.72 0.00 0.00 41.12 40.81 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2g1e s THR 73 N -1.54 2.13 0.35 5.18 2.01 -1.24 -4.91 115.64 117.63 2g1e s THR 73 Ca 0.23 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.45 2g1e s THR 73 Cb 0.12 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 2g1e s THR 73 CO 0.16 0.03 0.04 -1.61 -0.69 0.00 0.00 174.62 172.54 2g1e s GLU 74 N -1.61 2.09 0.10 4.92 8.01 -1.26 -1.46 118.70 129.50 2g1e s GLU 74 Ca 0.55 -1.78 0.04 0.00 0.01 0.00 0.00 54.97 53.79 2g1e s GLU 74 Cb -0.46 -1.92 -0.04 0.00 -4.31 0.00 0.00 34.13 27.40 2g1e s GLU 74 CO 0.58 0.09 0.08 0.42 0.01 0.00 0.00 175.26 176.43 2g1e s ILE 75 N -2.54 4.42 0.80 -1.63 1.01 -1.25 -4.88 121.20 117.12 2g1e s ILE 75 Ca 0.36 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 2g1e s ILE 75 Cb 0.01 -3.16 0.12 0.00 0.01 0.00 0.00 42.46 39.44 2g1e s ILE 75 CO 0.20 0.06 1.12 -0.54 0.00 0.00 0.00 174.94 175.78 2g1e s LYS 76 N -2.56 1.59 0.57 2.79 -0.14 -1.26 -4.91 119.74 115.82 2g1e s LYS 76 Ca 0.29 -0.45 0.28 0.00 -1.36 0.00 0.00 55.97 54.72 2g1e s LYS 76 Cb -0.12 -2.09 1.50 0.00 -1.68 0.00 0.00 37.83 35.45 2g1e s LYS 76 CO 0.22 -1.67 1.99 0.22 -0.76 0.00 0.00 175.35 175.34 2g1e h ASP 77 N -0.94 0.00 -0.99 2.83 3.58 -2.01 -0.08 116.42 118.81 2g1e h ASP 77 Ca -0.43 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.04 2g1e h ASP 77 Cb 1.28 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2g1e h ASP 77 CO 0.50 0.00 0.65 0.44 -2.88 0.00 0.00 179.24 177.95 2g1e h ASP 78 N 0.00 1.11 -5.36 2.28 5.19 -1.98 -3.48 116.42 114.19 2g1e h ASP 78 Ca 0.20 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 2g1e h ASP 78 Cb 0.93 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2g1e h ASP 78 CO -0.00 0.79 -0.37 0.47 -3.12 0.00 0.00 179.24 177.01 2g1e n ASP 79 N -4.40 -7.81 -3.69 6.45 8.00 -0.05 -4.84 116.55 110.21 2g1e n ASP 79 Ca 0.12 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.81 2g1e n ASP 79 Cb 0.04 -5.23 -0.12 0.00 -0.02 0.00 0.00 41.12 35.79 2g1e n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2g1e s LYS 80 N -2.76 0.22 -0.01 -1.24 2.47 -1.26 -1.83 119.74 115.33 2g1e s LYS 80 Ca 0.17 0.71 0.06 0.00 -1.56 0.00 0.00 55.97 55.35 2g1e s LYS 80 Cb -0.05 -0.02 -0.02 0.00 -1.46 0.00 0.00 37.83 36.28 2g1e s LYS 80 CO 0.77 -0.22 -0.20 0.42 0.16 0.00 0.00 175.35 176.27 2g1e s ILE 81 N 1.88 1.61 -0.07 5.43 1.01 0.64 -0.10 121.20 131.59 2g1e s ILE 81 Ca -0.04 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2g1e s ILE 81 Cb -0.11 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2g1e s ILE 81 CO -0.10 0.45 -0.24 -1.81 0.00 0.00 0.00 174.94 173.24 2g1e s ASP 82 N -0.50 3.14 -0.28 3.58 1.01 -0.77 -0.30 116.67 122.56 2g1e s ASP 82 Ca 0.08 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 2g1e s ASP 82 Cb -0.08 -1.07 0.02 0.00 1.01 0.00 0.00 42.92 42.81 2g1e s ASP 82 CO -0.01 0.22 0.01 -0.22 0.21 0.00 0.00 175.17 175.38 2g1e s LEU 83 N 0.01 3.61 0.10 1.23 0.20 -0.72 -2.40 118.68 120.71 2g1e s LEU 83 Ca -0.09 -0.88 0.10 0.00 0.69 0.00 0.00 54.13 53.95 2g1e s LEU 83 Cb -0.15 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2g1e s LEU 83 CO 0.05 -0.18 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.32 2g1e s PHE 84 N 1.39 2.15 0.10 5.38 0.40 -1.03 -1.85 117.98 124.51 2g1e s PHE 84 Ca 0.00 -0.39 -0.31 0.00 -0.60 0.00 0.00 56.93 55.63 2g1e s PHE 84 Cb -0.17 -1.21 -0.07 0.00 0.51 0.00 0.00 43.02 42.08 2g1e s PHE 84 CO -0.01 0.24 1.37 -1.25 0.70 0.00 0.00 175.22 176.27 2g1e s PRO 85 N -1.77 4.33 0.80 0.24 0.04 -1.26 -3.58 135.00 133.81 2g1e s PRO 85 Ca 0.11 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2g1e s PRO 85 Cb -0.10 -3.29 0.07 0.00 0.04 0.00 0.00 34.50 31.22 2g1e s PRO 85 CO 0.04 -0.43 1.09 -1.25 0.04 0.00 0.00 177.00 176.50 2g1e s PRO 86 N 1.22 2.02 0.21 0.56 0.04 -1.26 -4.83 135.00 132.96 2g1e s PRO 86 Ca 0.64 1.09 -0.32 0.00 0.04 0.00 0.00 61.00 62.45 2g1e s PRO 86 Cb -0.35 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.17 2g1e s PRO 86 CO 0.30 -1.78 1.41 1.33 0.04 0.00 0.00 177.00 178.30 2g1e n VAL 87 N -3.61 0.72 -2.61 -0.36 0.24 -1.26 -0.96 118.33 110.50 2g1e n VAL 87 Ca 0.09 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 2g1e n VAL 87 Cb 0.53 -1.40 -0.00 0.00 -1.47 0.00 0.00 33.84 31.50 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2g1e n ALA 88 N 2.19 -0.81 -0.05 2.33 0.00 -1.26 -4.87 120.51 118.03 2g1e n ALA 88 Ca 0.13 0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.66 2g1e n ALA 88 Cb 0.30 -1.95 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 2g1e n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g1e n GLY 89 N -0.94 -0.83 0.00 0.00 0.00 -0.13 -4.90 105.19 98.39 2g1e n GLY 89 Ca -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93