#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 2.07 -0.38 3.17 -7.23 0.12 -4.82 120.40 113.32 2g1e s VAL 2 Ca 0.00 -1.05 -0.21 0.00 -1.81 0.00 0.00 61.98 58.91 2g1e s VAL 2 Cb 0.00 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.19 2g1e s VAL 2 CO 0.00 0.57 0.65 0.42 -0.31 0.00 0.00 175.10 176.43 2g1e s THR 3 N -0.05 4.86 -0.09 5.32 -4.23 -0.23 -1.73 115.64 119.51 2g1e s THR 3 Ca -0.07 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 2g1e s THR 3 Cb -0.15 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.54 2g1e s THR 3 CO 0.05 -0.41 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.00 2g1e s VAL 4 N 2.77 4.07 0.20 2.29 1.01 -0.36 -0.59 120.40 129.79 2g1e s VAL 4 Ca 0.24 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2g1e s VAL 4 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2g1e s VAL 4 CO 0.16 0.59 -0.02 -0.60 0.00 0.00 0.00 175.10 175.24 2g1e s ARG 5 N -0.75 2.32 -0.05 2.72 6.06 0.82 -2.22 118.95 127.84 2g1e s ARG 5 Ca 0.12 -1.20 0.04 0.00 -2.50 0.00 0.00 55.73 52.18 2g1e s ARG 5 Cb -0.11 -2.28 -0.00 0.00 0.06 0.00 0.00 34.95 32.62 2g1e s ARG 5 CO 0.02 0.43 -0.16 0.71 -2.50 0.00 0.00 175.30 173.80 2g1e s TYR 6 N -1.85 1.65 0.00 5.12 2.02 -1.09 -2.04 117.35 121.16 2g1e s TYR 6 Ca 0.28 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 2g1e s TYR 6 Cb -0.09 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 2g1e s TYR 6 CO 0.18 -0.19 0.00 0.66 -1.57 0.00 0.00 175.55 174.63 2g1e n TYR 7 N 3.27 0.00 0.00 2.71 4.02 -0.77 -4.68 117.16 121.71 2g1e n TYR 7 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 2g1e n TYR 7 Cb 0.53 0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g1e n ALA 8 N -2.29 0.00 0.21 -0.72 0.00 -1.23 -4.65 120.51 111.82 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 0.15 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.58 1.55 0.03 0.00 -2.24 -1.26 -2.16 114.28 109.63 2g1e n THR 9 Ca 0.00 0.41 0.02 0.00 -2.27 0.00 0.00 64.05 62.20 2g1e n THR 9 Cb 0.00 -1.31 0.36 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.41 0.32 3.22 6.46 -1.94 -2.27 115.31 121.50 2g1e h LEU 10 Ca 0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2g1e h LEU 10 Cb 0.10 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 2g1e h LEU 10 CO 0.00 0.45 -0.40 0.03 -0.62 0.00 0.00 178.44 177.90 2g1e h ARG 11 N 0.44 -0.71 0.00 1.25 2.47 -1.69 -1.23 114.38 114.90 2g1e h ARG 11 Ca 0.10 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2g1e h ARG 11 Cb 0.23 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2g1e h ARG 11 CO 0.00 -0.48 0.00 -0.35 0.56 0.00 0.00 179.97 179.71 2g1e n PRO 12 N -4.82 0.09 0.06 0.04 -0.04 -1.18 -0.16 135.00 128.99 2g1e n PRO 12 Ca -0.09 0.21 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2g1e n PRO 12 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 1.22 0.00 0.52 2.04 -0.71 -3.36 117.51 117.23 2g1e h ILE 13 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 2g1e h ILE 13 Cb 0.20 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2g1e h ILE 13 CO 0.00 0.82 -0.66 0.41 0.00 0.00 0.00 178.15 178.72 2g1e n THR 14 N -3.43 0.00 -2.94 -0.27 -1.04 -0.56 -5.00 114.28 101.04 2g1e n THR 14 Ca -0.14 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.47 2g1e n THR 14 Cb 1.03 0.95 0.03 0.00 -1.82 0.00 0.00 70.33 70.52 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g1e n LYS 15 N -1.34 -4.35 -4.04 -2.82 4.81 0.77 -5.00 118.16 106.19 2g1e n LYS 15 Ca 0.02 0.75 -0.08 0.00 -0.87 0.00 0.00 58.31 58.13 2g1e n LYS 15 Cb 0.21 -5.29 -0.09 0.00 0.02 0.00 0.00 35.03 29.87 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2g1e s LYS 16 N -5.56 0.70 -0.19 1.64 1.02 -1.15 -5.04 119.74 111.15 2g1e s LYS 16 Ca 0.28 -1.18 0.06 0.00 0.02 0.00 0.00 55.97 55.15 2g1e s LYS 16 Cb -0.12 0.25 -0.16 0.00 -0.52 0.00 0.00 37.83 37.28 2g1e s LYS 16 CO 0.34 -0.16 -0.10 0.36 -0.92 0.00 0.00 175.35 174.87 2g1e n LYS 17 N 0.05 0.82 -3.68 1.68 2.85 -1.26 -4.63 118.16 113.99 2g1e n LYS 17 Ca -0.13 0.07 -0.15 0.00 -1.05 0.00 0.00 58.31 57.05 2g1e n LYS 17 Cb 0.62 -1.41 -0.08 0.00 -0.65 0.00 0.00 35.03 33.50 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2g1e s GLU 18 N -2.40 0.75 0.15 -1.58 -6.30 -1.26 -2.68 118.70 105.37 2g1e s GLU 18 Ca -0.21 0.18 -0.15 0.00 -2.50 0.00 0.00 54.97 52.30 2g1e s GLU 18 Cb 0.06 0.35 0.02 0.00 0.00 0.00 0.00 34.13 34.57 2g1e s GLU 18 CO 0.54 -0.19 0.40 -2.00 0.02 0.00 0.00 175.26 174.03 2g1e s GLU 19 N -0.84 1.15 0.21 4.30 2.56 -0.94 -5.01 118.70 120.13 2g1e s GLU 19 Ca -0.09 -0.83 0.07 0.00 0.00 0.00 0.00 54.97 54.12 2g1e s GLU 19 Cb -0.03 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.52 2g1e s GLU 19 CO 0.05 -0.45 0.13 0.95 -0.56 0.00 0.00 175.26 175.37 2g1e s THR 20 N -3.85 4.25 0.14 -1.70 -4.23 -1.26 -1.22 115.64 107.77 2g1e s THR 20 Ca 0.07 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 2g1e s THR 20 Cb 0.01 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.62 2g1e s THR 20 CO -0.08 -0.24 0.25 -0.36 -0.54 0.00 0.00 174.62 173.65 2g1e s PHE 21 N -1.98 0.32 -0.03 3.99 0.08 -0.70 -4.92 117.98 114.74 2g1e s PHE 21 Ca 0.31 -0.71 0.01 0.00 0.12 0.00 0.00 56.93 56.67 2g1e s PHE 21 Cb -0.09 -0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.31 2g1e s PHE 21 CO 0.23 -0.66 -0.05 1.21 -0.10 0.00 0.00 175.22 175.85 2g1e s ASN 22 N -2.93 0.89 0.00 1.36 2.47 -1.26 -0.70 114.94 114.76 2g1e s ASN 22 Ca 0.13 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.28 2g1e s ASN 22 Cb 0.04 -0.34 0.00 0.00 -1.45 0.00 0.00 41.25 39.50 2g1e s ASN 22 CO -0.04 -0.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 2g1e n GLY 23 N 3.69 3.17 3.68 1.21 0.00 -1.26 -5.07 105.19 110.62 2g1e n GLY 23 Ca -0.22 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.08 3.26 0.00 -0.61 1.01 -1.26 -4.85 121.20 118.67 2g1e s ILE 24 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.27 2g1e s ILE 24 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 2g1e s ILE 24 CO 0.00 -0.01 0.39 -0.24 0.00 0.00 0.00 174.94 175.07 2g1e n SER 25 N 5.90 0.66 -4.03 3.58 2.88 -1.26 -4.90 113.62 116.45 2g1e n SER 25 Ca 0.16 -1.13 -0.08 0.00 -1.33 0.00 0.00 58.87 56.49 2g1e n SER 25 Cb 0.41 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2g1e s LYS 26 N -0.13 0.45 0.10 -1.46 -0.14 -1.26 -3.82 119.74 113.48 2g1e s LYS 26 Ca 0.00 -0.90 -0.16 0.00 -1.36 0.00 0.00 55.97 53.55 2g1e s LYS 26 Cb 0.00 0.15 -0.07 0.00 -1.68 0.00 0.00 37.83 36.23 2g1e s LYS 26 CO 0.00 -0.08 1.49 0.82 -0.76 0.00 0.00 175.35 176.82 2g1e h ILE 27 N 3.95 1.28 0.08 2.17 1.08 -1.53 -2.16 117.51 122.39 2g1e h ILE 27 Ca -0.33 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.01 2g1e h ILE 27 Cb 1.18 1.40 -0.03 0.00 -3.07 0.00 0.00 36.82 36.30 2g1e h ILE 27 CO 0.53 0.37 -0.19 -1.28 -0.69 0.00 0.00 178.15 176.89 2g1e h SER 28 N 0.36 -0.52 -0.18 1.72 0.87 -1.79 -1.24 113.55 112.78 2g1e h SER 28 Ca 0.07 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2g1e h SER 28 Cb 0.59 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2g1e h SER 28 CO 0.03 -0.26 0.10 -0.08 -0.53 0.00 0.00 176.83 176.09 2g1e h GLU 29 N -0.35 0.27 0.09 2.24 4.81 -1.84 -2.65 114.58 117.16 2g1e h GLU 29 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2g1e h GLU 29 Cb 0.38 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2g1e h GLU 29 CO -0.12 0.21 -0.04 1.25 -0.73 0.00 0.00 179.01 179.58 2g1e h LEU 30 N 0.27 -0.10 -0.25 1.64 7.12 -0.64 -2.07 115.31 121.28 2g1e h LEU 30 Ca 0.07 -0.19 0.06 0.00 0.13 0.00 0.00 57.88 57.95 2g1e h LEU 30 Cb 0.02 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.12 2g1e h LEU 30 CO -0.01 0.13 -0.13 -0.07 -0.13 0.00 0.00 178.44 178.23 2g1e h LEU 31 N -0.34 -0.45 -1.98 2.25 3.38 -0.92 0.14 115.31 117.40 2g1e h LEU 31 Ca -0.01 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2g1e h LEU 31 Cb 0.28 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2g1e h LEU 31 CO 0.02 -0.17 0.10 -0.33 0.09 0.00 0.00 178.44 178.15 2g1e h GLU 32 N -0.11 0.02 -0.01 1.13 5.08 -1.47 -0.43 114.58 118.80 2g1e h GLU 32 Ca 0.14 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 2g1e h GLU 32 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2g1e h GLU 32 CO -0.32 0.02 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.08 2g1e h ARG 33 N 0.02 0.03 0.08 2.33 2.43 -0.26 -2.54 114.38 116.47 2g1e h ARG 33 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2g1e h ARG 33 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2g1e h ARG 33 CO -0.00 0.56 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.91 2g1e h LEU 34 N 0.02 -0.10 -1.26 3.80 3.38 -0.22 0.30 115.31 121.24 2g1e h LEU 34 Ca -0.00 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2g1e h LEU 34 Cb 0.96 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2g1e h LEU 34 CO 0.07 0.37 0.51 0.50 0.09 0.00 0.00 178.44 179.98 2g1e h LYS 35 N -0.58 0.98 0.16 1.13 3.64 -1.52 0.36 116.57 120.74 2g1e h LYS 35 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2g1e h LYS 35 Cb 0.48 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2g1e h LYS 35 CO 0.02 0.65 -0.08 0.28 -2.27 0.00 0.00 179.45 178.05 2g1e h VAL 36 N 1.00 0.46 -0.08 2.00 2.07 -1.44 -0.14 116.25 120.12 2g1e h VAL 36 Ca 0.29 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2g1e h VAL 36 Cb -0.05 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2g1e h VAL 36 CO -0.07 0.13 -0.10 -0.08 0.02 0.00 0.00 177.57 177.47 2g1e h GLU 37 N -1.00 -0.13 0.00 1.57 4.22 -0.33 -0.82 114.58 118.08 2g1e h GLU 37 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2g1e h GLU 37 Cb 0.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2g1e h GLU 37 CO 0.04 -0.09 0.00 0.66 -2.18 0.00 0.00 179.01 177.44 2g1e n TYR 38 N -5.24 0.04 -4.26 0.92 4.01 0.13 -5.01 117.16 107.74 2g1e n TYR 38 Ca -0.04 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2g1e n TYR 38 Cb 0.16 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.67 2g1e n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2g1e n GLY 39 N 0.91 -1.66 0.16 2.72 0.00 -0.06 -3.85 105.19 103.41 2g1e n GLY 39 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 -1.06 1.61 0.02 -1.87 -3.01 113.55 109.24 2g1e h SER 40 Ca 0.00 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 2g1e h SER 40 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2g1e h SER 40 CO 0.00 0.51 0.73 -0.08 -1.14 0.00 0.00 176.83 176.84 2g1e h GLU 41 N 0.00 0.18 -0.01 3.45 4.81 -1.91 0.28 114.58 121.38 2g1e h GLU 41 Ca -0.01 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2g1e h GLU 41 Cb 0.90 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.25 2g1e h GLU 41 CO 0.07 0.12 -0.44 0.35 -0.73 0.00 0.00 179.01 178.38 2g1e h PHE 42 N 0.18 0.46 -0.72 0.92 3.57 -1.63 -1.47 116.94 118.25 2g1e h PHE 42 Ca 0.55 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 2g1e h PHE 42 Cb 1.79 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.45 2g1e h PHE 42 CO -0.00 1.04 0.20 1.15 -2.23 0.00 0.00 178.31 178.48 2g1e h THR 43 N -0.25 1.26 -0.08 4.41 2.02 -0.99 0.19 112.91 119.49 2g1e h THR 43 Ca -0.05 -0.94 -0.17 0.00 0.77 0.00 0.00 66.41 66.03 2g1e h THR 43 Cb 1.15 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2g1e h THR 43 CO 0.09 0.36 -0.67 0.11 0.37 0.00 0.00 175.52 175.78 2g1e h LYS 44 N 1.08 0.32 0.00 6.66 1.79 -0.64 0.30 116.57 126.09 2g1e h LYS 44 Ca 0.23 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2g1e h LYS 44 Cb 0.34 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2g1e h LYS 44 CO -0.00 0.88 -0.06 1.96 -1.08 0.00 0.00 179.45 181.15 2g1e h GLN 45 N 0.23 0.00 0.02 3.15 1.08 -0.99 -3.29 115.11 115.32 2g1e h GLN 45 Ca -0.02 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.83 2g1e h GLN 45 Cb 1.22 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.60 2g1e h GLN 45 CO 0.11 0.06 -2.13 -1.33 -0.95 0.00 0.00 178.83 174.59 2g1e n MET 46 N -3.12 0.68 -2.13 1.46 2.81 0.66 -4.72 117.12 112.75 2g1e n MET 46 Ca 0.04 0.16 -0.30 0.00 -1.81 0.00 0.00 57.70 55.79 2g1e n MET 46 Cb 0.54 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.54 2.01 -0.53 2.03 1.51 0.11 -4.53 117.35 115.41 2g1e s TYR 47 Ca -0.15 0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.21 2g1e s TYR 47 Cb 0.07 -4.11 0.13 0.00 -0.11 0.00 0.00 41.96 37.95 2g1e s TYR 47 CO 0.78 -1.44 0.28 0.34 -1.11 0.00 0.00 175.55 174.40 2g1e s ASP 48 N 6.66 4.41 0.00 2.29 2.15 -1.26 -4.81 116.67 126.11 2g1e s ASP 48 Ca 0.67 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.63 2g1e s ASP 48 Cb -0.02 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2g1e s ASP 48 CO 0.08 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 2g1e n GLY 49 N 3.12 2.77 2.02 2.66 0.00 -1.26 -4.83 105.19 109.66 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 0.00 -0.37 -3.77 1.61 2.85 -1.26 -5.16 115.26 109.16 2g1e n ASN 50 Ca 0.00 0.22 -0.10 0.00 -0.11 0.00 0.00 54.58 54.59 2g1e n ASN 50 Cb 0.00 0.47 -0.05 0.00 1.24 0.00 0.00 39.78 41.44 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2g1e s ASN 51 N -3.80 -0.15 -0.05 1.20 0.01 -1.26 -5.00 114.94 105.88 2g1e s ASN 51 Ca 0.00 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 2g1e s ASN 51 Cb 0.00 0.50 -0.01 0.00 0.41 0.00 0.00 41.25 42.15 2g1e s ASN 51 CO 0.00 -0.93 -0.03 0.25 -1.51 0.00 0.00 177.10 174.88 2g1e h LEU 52 N 2.37 0.00 -1.98 0.60 7.12 -1.91 -3.36 115.31 118.15 2g1e h LEU 52 Ca -0.31 0.00 0.23 0.00 0.13 0.00 0.00 57.88 57.92 2g1e h LEU 52 Cb 1.25 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.35 2g1e h LEU 52 CO 0.44 0.27 0.59 -0.26 -0.13 0.00 0.00 178.44 179.35 2g1e h PHE 53 N -0.46 0.00 -2.66 1.25 0.04 -1.97 -3.33 116.94 109.81 2g1e h PHE 53 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 2g1e h PHE 53 Cb 0.09 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.26 2g1e h PHE 53 CO -0.04 0.00 1.02 0.21 -0.60 0.00 0.00 178.31 178.90 2g1e s LYS 54 N -4.92 4.19 -1.40 1.51 2.20 -1.26 -1.66 119.74 118.40 2g1e s LYS 54 Ca -0.05 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2g1e s LYS 54 Cb 0.20 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2g1e s LYS 54 CO 0.73 -0.75 0.00 0.09 -0.36 0.00 0.00 175.35 175.06 2g1e n ASN 55 N 5.77 -5.28 -4.82 1.43 4.13 -1.26 -4.75 115.26 110.49 2g1e n ASN 55 Ca 0.16 0.33 -0.33 0.00 1.68 0.00 0.00 54.58 56.42 2g1e n ASN 55 Cb 0.41 -3.94 -0.03 0.00 -1.54 0.00 0.00 39.78 34.68 2g1e n ASN 55 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2g1e s VAL 56 N -2.26 4.18 -0.25 2.41 0.11 -0.66 -2.92 120.40 121.01 2g1e s VAL 56 Ca 0.00 1.18 0.02 0.00 -2.93 0.00 0.00 61.98 60.25 2g1e s VAL 56 Cb 0.00 -3.56 0.05 0.00 -1.53 0.00 0.00 36.38 31.34 2g1e s VAL 56 CO 0.00 -0.47 -0.11 -0.51 -3.33 0.00 0.00 175.10 170.68 2g1e s ILE 57 N -2.35 2.25 -0.07 7.04 2.07 -1.22 -4.91 121.20 124.01 2g1e s ILE 57 Ca 0.62 -1.50 0.05 0.00 -1.41 0.00 0.00 60.65 58.41 2g1e s ILE 57 Cb -0.12 -2.27 -0.00 0.00 0.13 0.00 0.00 42.46 40.20 2g1e s ILE 57 CO 0.26 0.05 -0.22 0.27 -1.91 0.00 0.00 174.94 173.39 2g1e s ILE 58 N 1.15 1.85 -0.03 2.00 -0.00 -1.26 -2.23 121.20 122.68 2g1e s ILE 58 Ca -0.06 -0.92 0.01 0.00 -0.00 0.00 0.00 60.65 59.67 2g1e s ILE 58 Cb -0.19 -1.59 -0.03 0.00 -0.00 0.00 0.00 42.46 40.65 2g1e s ILE 58 CO -0.06 0.52 -0.02 -0.76 -0.00 0.00 0.00 174.94 174.62 2g1e s LEU 59 N 0.16 3.43 -0.06 0.37 1.43 -1.02 -3.63 118.68 119.35 2g1e s LEU 59 Ca -0.11 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2g1e s LEU 59 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 2g1e s LEU 59 CO 0.05 0.31 -0.24 0.54 0.23 0.00 0.00 176.35 177.25 2g1e s VAL 60 N -0.99 1.95 -1.85 -1.59 0.11 0.76 -1.43 120.40 117.35 2g1e s VAL 60 Ca 0.17 -1.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.00 2g1e s VAL 60 Cb -0.11 -1.66 0.22 0.00 -1.53 0.00 0.00 36.38 33.29 2g1e s VAL 60 CO 0.07 0.54 0.57 -0.46 -3.33 0.00 0.00 175.10 172.50 2g1e n ASN 61 N 3.10 -1.75 -2.64 3.54 6.94 0.98 -0.61 115.26 124.81 2g1e n ASN 61 Ca -0.18 -1.23 -0.10 0.00 -0.02 0.00 0.00 54.58 53.04 2g1e n ASN 61 Cb 0.52 -1.70 0.05 0.00 -2.36 0.00 0.00 39.78 36.30 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 -1.19 -0.32 3.65 4.83 0.00 -1.26 -4.99 105.19 105.90 2g1e n GLY 62 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2g1e n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g1e s ASN 63 N -3.50 -0.01 0.28 1.61 0.02 0.22 -5.14 114.94 108.42 2g1e s ASN 63 Ca 0.19 0.01 -0.30 0.00 -1.02 0.00 0.00 52.86 51.74 2g1e s ASN 63 Cb -0.02 0.42 -0.12 0.00 0.02 0.00 0.00 41.25 41.55 2g1e s ASN 63 CO 0.49 -0.00 1.52 0.59 0.02 0.00 0.00 177.10 179.72 2g1e n ASN 64 N 2.13 3.45 0.11 -1.22 3.02 -1.26 -0.17 115.26 121.31 2g1e n ASN 64 Ca -0.13 1.15 -0.03 0.00 -0.03 0.00 0.00 54.58 55.54 2g1e n ASN 64 Cb 0.57 -1.54 0.05 0.00 -0.61 0.00 0.00 39.78 38.25 2g1e n ASN 64 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 2g1e h ILE 65 N 3.21 1.53 -0.26 2.41 3.07 -1.83 -3.14 117.51 122.50 2g1e h ILE 65 Ca -0.46 -2.66 0.08 0.00 1.55 0.00 0.00 64.86 63.37 2g1e h ILE 65 Cb 1.24 2.44 -0.01 0.00 -0.27 0.00 0.00 36.82 40.22 2g1e h ILE 65 CO 0.77 0.75 0.27 0.71 -1.05 0.00 0.00 178.15 179.60 2g1e h THR 66 N 0.00 0.48 0.00 0.16 1.35 -1.86 0.49 112.91 113.53 2g1e h THR 66 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2g1e h THR 66 Cb 1.38 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2g1e h THR 66 CO 0.10 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.13 2g1e n SER 67 N -3.85 0.00 0.00 5.36 2.88 -1.19 -4.53 113.62 112.30 2g1e n SER 67 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2g1e n SER 67 Cb 0.41 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.29 0.00 -4.48 -1.46 0.00 0.15 -5.14 117.12 104.89 2g1e n MET 68 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.57 2g1e n MET 68 Cb 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.29 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 1.76 -0.07 2.12 2.20 0.15 -5.06 119.74 120.84 2g1e s LYS 69 Ca 0.00 -2.01 -0.10 0.00 -0.36 0.00 0.00 55.97 53.50 2g1e s LYS 69 Cb 0.00 -0.81 -0.03 0.00 -1.51 0.00 0.00 37.83 35.47 2g1e s LYS 69 CO 0.00 -0.28 -0.20 0.41 -0.36 0.00 0.00 175.35 174.92 2g1e n GLY 70 N -0.78 -0.35 0.04 5.54 0.00 -1.26 -3.59 105.19 104.79 2g1e n GLY 70 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.79 2g1e n GLY 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2g1e n LEU 71 N -3.91 0.00 -0.68 0.99 -0.00 -1.26 -4.37 117.00 107.77 2g1e n LEU 71 Ca -0.08 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 55.99 2g1e n LEU 71 Cb 0.29 0.19 0.16 0.00 -0.00 0.00 0.00 43.42 44.06 2g1e n LEU 71 CO 0.12 0.19 0.63 0.47 -0.00 0.00 0.00 177.39 178.80 2g1e n ASP 72 N -2.29 1.96 -4.76 1.45 8.00 -1.26 -3.09 116.55 116.56 2g1e n ASP 72 Ca -0.14 -2.01 -0.41 0.00 0.71 0.00 0.00 54.79 52.95 2g1e n ASP 72 Cb 0.69 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2g1e s THR 73 N -1.52 2.15 0.29 -3.53 2.01 -1.26 -4.91 115.64 108.86 2g1e s THR 73 Ca 0.24 0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.47 2g1e s THR 73 Cb 0.13 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2g1e s THR 73 CO 0.16 0.03 0.01 -0.70 -0.69 0.00 0.00 174.62 173.43 2g1e s GLU 74 N -1.12 2.25 0.09 4.92 2.12 -1.26 -1.63 118.70 124.07 2g1e s GLU 74 Ca 0.58 -1.50 0.00 0.00 0.36 0.00 0.00 54.97 54.42 2g1e s GLU 74 Cb -0.46 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2g1e s GLU 74 CO 0.53 0.29 0.24 0.42 -0.54 0.00 0.00 175.26 176.21 2g1e s ILE 75 N -2.37 5.36 0.77 -3.70 1.01 -1.25 -4.92 121.20 116.09 2g1e s ILE 75 Ca 0.33 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2g1e s ILE 75 Cb -0.05 -3.66 0.11 0.00 0.01 0.00 0.00 42.46 38.87 2g1e s ILE 75 CO 0.20 0.06 1.08 -0.54 0.00 0.00 0.00 174.94 175.74 2g1e s LYS 76 N -2.74 1.67 0.55 2.79 -0.14 -1.26 -4.90 119.74 115.71 2g1e s LYS 76 Ca 0.35 -0.57 0.29 0.00 -1.36 0.00 0.00 55.97 54.68 2g1e s LYS 76 Cb -0.12 -2.15 1.46 0.00 -1.68 0.00 0.00 37.83 35.33 2g1e s LYS 76 CO 0.28 -1.57 1.93 -0.44 -0.76 0.00 0.00 175.35 174.79 2g1e h ASP 77 N -0.81 0.00 -0.33 2.83 3.32 -2.00 0.20 116.42 119.63 2g1e h ASP 77 Ca -0.42 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.66 2g1e h ASP 77 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2g1e h ASP 77 CO 0.48 0.00 0.22 0.44 -1.72 0.00 0.00 179.24 178.66 2g1e h ASP 78 N 0.00 0.29 -5.71 6.45 3.32 -1.97 -3.47 116.42 115.33 2g1e h ASP 78 Ca 0.31 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.22 2g1e h ASP 78 Cb 1.31 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2g1e h ASP 78 CO -0.00 0.21 -0.52 0.47 -1.72 0.00 0.00 179.24 177.67 2g1e n ASP 79 N -4.49 -7.09 -3.71 6.45 8.00 0.70 -4.78 116.55 111.63 2g1e n ASP 79 Ca 0.03 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.40 2g1e n ASP 79 Cb 0.14 -4.28 -0.14 0.00 -0.02 0.00 0.00 41.12 36.83 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 -3.06 0.13 -0.01 -1.24 2.20 -1.26 -1.06 119.74 115.44 2g1e s LYS 80 Ca 0.15 0.53 0.06 0.00 -0.36 0.00 0.00 55.97 56.35 2g1e s LYS 80 Cb -0.03 -0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 2g1e s LYS 80 CO 0.80 -0.21 -0.20 0.42 -0.36 0.00 0.00 175.35 175.79 2g1e s ILE 81 N 1.64 1.60 -0.08 5.43 1.01 0.24 -0.02 121.20 131.04 2g1e s ILE 81 Ca -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2g1e s ILE 81 Cb -0.11 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.07 0.41 -0.23 -1.81 0.00 0.00 0.00 174.94 173.24 2g1e s ASP 82 N -0.60 2.89 -0.27 3.58 1.01 -0.51 -0.13 116.67 122.64 2g1e s ASP 82 Ca 0.08 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.81 2g1e s ASP 82 Cb -0.08 -1.07 0.03 0.00 1.01 0.00 0.00 42.92 42.81 2g1e s ASP 82 CO -0.00 0.18 -0.02 -0.76 0.21 0.00 0.00 175.17 174.78 2g1e s LEU 83 N 0.14 3.47 0.09 1.23 2.01 -0.87 -2.44 118.68 122.32 2g1e s LEU 83 Ca -0.11 -0.90 0.09 0.00 0.01 0.00 0.00 54.13 53.22 2g1e s LEU 83 Cb -0.16 -1.72 -0.03 0.00 0.01 0.00 0.00 46.19 44.29 2g1e s LEU 83 CO 0.06 -0.17 -0.23 -0.36 1.01 0.00 0.00 176.35 176.66 2g1e s PHE 84 N 1.35 2.00 0.49 0.29 0.40 -0.95 -1.84 117.98 119.73 2g1e s PHE 84 Ca -0.00 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.71 2g1e s PHE 84 Cb -0.17 -1.12 -0.07 0.00 0.51 0.00 0.00 43.02 42.17 2g1e s PHE 84 CO -0.02 0.22 1.15 -1.25 0.70 0.00 0.00 175.22 176.02 2g1e s PRO 85 N -1.76 3.60 0.63 0.24 0.04 -1.26 -3.38 135.00 133.11 2g1e s PRO 85 Ca 0.09 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 2g1e s PRO 85 Cb -0.10 -2.25 0.16 0.00 0.04 0.00 0.00 34.50 32.35 2g1e s PRO 85 CO 0.04 -0.66 0.56 -0.35 0.04 0.00 0.00 177.00 176.62 2g1e n PRO 86 N -0.80 -2.12 -2.19 0.56 -0.04 -1.26 -4.41 135.00 124.75 2g1e n PRO 86 Ca 0.09 -0.89 -0.40 0.00 -0.04 0.00 0.00 63.50 62.26 2g1e n PRO 86 Cb 0.49 -0.84 -0.02 0.00 -0.04 0.00 0.00 33.50 33.09 2g1e n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g1e s VAL 87 N -2.01 2.89 -1.46 0.52 1.01 -1.15 -2.62 120.40 117.57 2g1e s VAL 87 Ca 0.36 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.21 2g1e s VAL 87 Cb -0.04 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2g1e s VAL 87 CO 0.28 0.19 0.00 0.00 0.00 0.00 0.00 175.10 175.57 2g1e n ALA 88 N 0.72 -0.53 -3.02 5.51 0.00 -1.26 -4.94 120.51 116.98 2g1e n ALA 88 Ca 0.01 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2g1e n ALA 88 Cb 0.43 -1.71 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 2g1e n ALA 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2g1e s GLY 89 N -2.15 1.64 0.00 0.00 0.00 -1.08 -5.00 107.32 100.73 2g1e s GLY 89 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2g1e s GLY 89 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.61