#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 1.88 -0.37 3.17 -7.23 0.93 -4.82 120.40 113.96 2g1e s VAL 2 Ca 0.00 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.99 2g1e s VAL 2 Cb 0.00 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.36 2g1e s VAL 2 CO 0.00 0.53 0.57 -0.89 -0.31 0.00 0.00 175.10 175.00 2g1e s THR 3 N -0.26 4.95 -0.00 5.32 2.01 -0.56 -0.89 115.64 126.21 2g1e s THR 3 Ca 0.01 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.38 2g1e s THR 3 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2g1e s THR 3 CO 0.02 -0.31 0.01 0.54 -0.69 0.00 0.00 174.62 174.19 2g1e s VAL 4 N 2.55 4.22 0.07 3.82 0.11 -0.18 -0.74 120.40 130.25 2g1e s VAL 4 Ca 0.21 -0.57 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 2g1e s VAL 4 Cb -0.15 -2.89 -0.04 0.00 -1.53 0.00 0.00 36.38 31.78 2g1e s VAL 4 CO 0.15 0.38 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.03 2g1e s ARG 5 N -1.56 2.11 -0.12 1.54 0.52 0.36 -2.10 118.95 119.71 2g1e s ARG 5 Ca 0.20 -1.00 0.03 0.00 -0.52 0.00 0.00 55.73 54.44 2g1e s ARG 5 Cb -0.12 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.09 2g1e s ARG 5 CO 0.10 0.53 -0.21 0.71 0.02 0.00 0.00 175.30 176.45 2g1e s TYR 6 N -1.10 2.44 0.00 -0.53 2.02 -0.73 -1.79 117.35 117.66 2g1e s TYR 6 Ca 0.18 -1.14 0.00 0.00 -0.37 0.00 0.00 57.07 55.74 2g1e s TYR 6 Cb -0.11 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 2g1e s TYR 6 CO 0.10 -0.52 0.00 0.66 -1.57 0.00 0.00 175.55 174.22 2g1e n TYR 7 N 3.93 0.00 0.00 2.71 4.01 -0.71 -4.71 117.16 122.39 2g1e n TYR 7 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2g1e n TYR 7 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.85 0.00 0.15 -0.72 0.00 -1.22 -4.67 120.51 112.20 2g1e n ALA 8 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2g1e n ALA 8 Cb 0.22 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.54 1.16 0.05 0.00 -2.24 -1.26 -1.64 114.28 109.81 2g1e n THR 9 Ca 0.00 0.70 0.03 0.00 -2.27 0.00 0.00 64.05 62.51 2g1e n THR 9 Cb 0.00 -1.70 0.41 0.00 -2.10 0.00 0.00 70.33 66.93 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 0.38 0.33 3.22 6.46 -1.95 -2.13 115.31 121.61 2g1e h LEU 10 Ca 0.00 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2g1e h LEU 10 Cb 0.00 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2g1e h LEU 10 CO 0.00 0.37 -0.37 0.03 -0.62 0.00 0.00 178.44 177.85 2g1e h ARG 11 N 0.42 -0.68 0.00 1.25 2.47 -1.56 -1.53 114.38 114.75 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 0.14 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2g1e h ARG 11 CO -0.01 -0.45 0.00 -0.35 0.56 0.00 0.00 179.97 179.72 2g1e n PRO 12 N -4.61 0.12 0.10 0.04 -0.04 -1.17 0.01 135.00 129.46 2g1e n PRO 12 Ca -0.08 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 2g1e n PRO 12 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 1.17 -0.00 0.52 2.04 -0.65 -3.36 117.51 117.23 2g1e h ILE 13 Ca 0.00 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 63.16 2g1e h ILE 13 Cb 0.18 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2g1e h ILE 13 CO 0.00 0.84 -0.53 0.35 0.00 0.00 0.00 178.15 178.81 2g1e n THR 14 N -3.60 0.00 -3.10 -0.27 -2.24 -0.66 -5.01 114.28 99.40 2g1e n THR 14 Ca -0.18 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2g1e n THR 14 Cb 1.08 1.03 0.07 0.00 -2.10 0.00 0.00 70.33 70.40 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 -1.08 -4.91 -3.89 -0.78 5.02 0.10 -5.03 118.16 107.59 2g1e n LYS 15 Ca 0.03 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.90 2g1e n LYS 15 Cb 0.21 -5.11 -0.04 0.00 -0.02 0.00 0.00 35.03 30.06 2g1e n LYS 15 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2g1e s LYS 16 N -4.99 1.50 -0.10 1.97 -2.85 -1.07 -5.04 119.74 109.16 2g1e s LYS 16 Ca 0.03 -1.08 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 2g1e s LYS 16 Cb -0.00 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.18 2g1e s LYS 16 CO 0.57 -0.64 -0.04 0.36 0.10 0.00 0.00 175.35 175.71 2g1e n LYS 17 N -0.37 1.37 -3.68 1.78 2.85 -1.26 -4.58 118.16 114.27 2g1e n LYS 17 Ca -0.05 0.03 -0.15 0.00 -1.05 0.00 0.00 58.31 57.09 2g1e n LYS 17 Cb 0.62 -1.22 -0.08 0.00 -0.65 0.00 0.00 35.03 33.70 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 -2.21 0.77 0.16 -1.58 -6.30 -1.26 -1.78 118.70 106.49 2g1e s GLU 18 Ca -0.10 0.09 -0.16 0.00 -2.50 0.00 0.00 54.97 52.30 2g1e s GLU 18 Cb 0.03 0.35 0.03 0.00 0.00 0.00 0.00 34.13 34.54 2g1e s GLU 18 CO 0.30 -0.21 0.44 -1.21 0.02 0.00 0.00 175.26 174.60 2g1e s GLU 19 N -1.02 1.22 0.19 4.30 0.41 -0.89 -5.03 118.70 117.89 2g1e s GLU 19 Ca -0.10 -0.84 0.06 0.00 -0.41 0.00 0.00 54.97 53.68 2g1e s GLU 19 Cb -0.03 0.48 -0.04 0.00 -1.78 0.00 0.00 34.13 32.76 2g1e s GLU 19 CO 0.05 -0.49 0.09 0.95 -0.49 0.00 0.00 175.26 175.37 2g1e s THR 20 N -3.86 4.16 0.11 3.63 -4.23 -1.26 -1.01 115.64 113.17 2g1e s THR 20 Ca 0.07 -1.32 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2g1e s THR 20 Cb 0.01 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 2g1e s THR 20 CO -0.06 -0.18 0.03 -0.36 -0.54 0.00 0.00 174.62 173.51 2g1e s PHE 21 N -1.87 0.75 -0.03 3.99 0.08 -0.07 -4.92 117.98 115.92 2g1e s PHE 21 Ca 0.30 -1.18 0.01 0.00 0.12 0.00 0.00 56.93 56.19 2g1e s PHE 21 Cb -0.09 -0.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.93 2g1e s PHE 21 CO 0.22 -0.48 -0.04 0.54 -0.10 0.00 0.00 175.22 175.36 2g1e s ASN 22 N -3.01 0.74 0.00 1.36 4.22 -1.26 -0.05 114.94 116.95 2g1e s ASN 22 Ca 0.19 -0.10 0.00 0.00 -2.14 0.00 0.00 52.86 50.81 2g1e s ASN 22 Cb 0.08 -0.29 0.00 0.00 1.28 0.00 0.00 41.25 42.31 2g1e s ASN 22 CO -0.02 -0.03 0.00 0.61 -2.04 0.00 0.00 177.10 175.63 2g1e n GLY 23 N 3.73 2.61 3.63 0.45 0.00 -1.26 -5.05 105.19 109.30 2g1e n GLY 23 Ca -0.22 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.83 3.49 0.00 -0.61 1.01 -1.26 -4.80 121.20 118.20 2g1e s ILE 24 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2g1e s ILE 24 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.96 2g1e s ILE 24 CO 0.00 -0.22 0.04 -1.20 0.00 0.00 0.00 174.94 173.56 2g1e n SER 25 N 8.94 0.07 -4.10 3.58 7.64 -1.26 -4.85 113.62 123.65 2g1e n SER 25 Ca 0.21 -0.52 -0.10 0.00 1.01 0.00 0.00 58.87 59.47 2g1e n SER 25 Cb 0.45 0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 64.43 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 -0.89 0.63 0.31 1.43 -0.14 -1.26 -3.53 119.74 116.28 2g1e s LYS 26 Ca 0.00 -1.07 -0.01 0.00 -1.36 0.00 0.00 55.97 53.54 2g1e s LYS 26 Cb 0.00 -0.07 0.49 0.00 -1.68 0.00 0.00 37.83 36.56 2g1e s LYS 26 CO 0.00 -0.03 1.96 0.82 -0.76 0.00 0.00 175.35 177.34 2g1e h ILE 27 N 3.62 1.18 0.16 2.17 1.08 -1.44 -2.35 117.51 121.93 2g1e h ILE 27 Ca -0.35 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 2g1e h ILE 27 Cb 1.17 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 2g1e h ILE 27 CO 0.56 0.20 -0.21 -1.28 -0.69 0.00 0.00 178.15 176.72 2g1e h SER 28 N 1.07 -0.59 0.00 1.72 0.87 -1.80 -1.54 113.55 113.28 2g1e h SER 28 Ca 0.31 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2g1e h SER 28 Cb -0.06 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2g1e h SER 28 CO -0.08 -0.31 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.58 2g1e h GLU 29 N -0.43 0.00 0.09 2.24 5.08 -1.83 -2.53 114.58 117.20 2g1e h GLU 29 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2g1e h GLU 29 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2g1e h GLU 29 CO -0.09 0.00 -0.04 1.25 -1.00 0.00 0.00 179.01 179.13 2g1e h LEU 30 N 0.00 -0.11 -0.49 1.33 6.46 -0.77 0.29 115.31 122.02 2g1e h LEU 30 Ca -0.00 -0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 2g1e h LEU 30 Cb 0.01 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 2g1e h LEU 30 CO 0.00 0.09 0.18 -0.07 -0.62 0.00 0.00 178.44 178.02 2g1e h LEU 31 N -0.30 0.20 -0.12 2.25 3.38 -0.97 0.21 115.31 119.95 2g1e h LEU 31 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2g1e h LEU 31 Cb 0.25 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2g1e h LEU 31 CO 0.02 0.14 -0.03 -0.33 0.09 0.00 0.00 178.44 178.33 2g1e h GLU 32 N 0.36 0.23 -0.05 1.13 5.08 -1.42 -0.71 114.58 119.21 2g1e h GLU 32 Ca 0.23 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2g1e h GLU 32 Cb 0.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2g1e h GLU 32 CO -0.23 0.53 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.12 2g1e h ARG 33 N -0.08 -0.14 -0.41 2.33 9.65 -0.05 0.22 114.38 125.90 2g1e h ARG 33 Ca 0.03 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2g1e h ARG 33 Cb 0.44 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 2g1e h ARG 33 CO 0.01 -0.10 0.21 -0.07 2.80 0.00 0.00 179.97 182.83 2g1e h LEU 34 N -0.15 0.52 -1.30 3.80 4.07 -0.61 0.23 115.31 121.87 2g1e h LEU 34 Ca 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 2g1e h LEU 34 Cb 0.23 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2g1e h LEU 34 CO -0.14 0.47 0.27 0.50 -1.08 0.00 0.00 178.44 178.46 2g1e h LYS 35 N 0.52 0.75 0.17 1.13 3.11 -0.79 -0.41 116.57 121.05 2g1e h LYS 35 Ca 0.14 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.89 2g1e h LYS 35 Cb 0.08 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 2g1e h LYS 35 CO -0.02 0.58 -0.08 0.28 -2.81 0.00 0.00 179.45 177.40 2g1e h VAL 36 N 0.75 0.54 -0.38 2.00 2.07 -0.13 0.24 116.25 121.35 2g1e h VAL 36 Ca 0.19 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.69 2g1e h VAL 36 Cb 0.06 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2g1e h VAL 36 CO -0.03 0.15 -0.12 -0.08 0.02 0.00 0.00 177.57 177.52 2g1e h GLU 37 N -0.98 -0.04 0.00 1.57 4.57 -0.51 -0.54 114.58 118.66 2g1e h GLU 37 Ca -0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2g1e h GLU 37 Cb 0.42 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2g1e h GLU 37 CO 0.04 -0.02 -0.21 1.88 -1.18 0.00 0.00 179.01 179.51 2g1e h TYR 38 N -0.04 0.00 0.00 0.92 0.05 -1.20 -3.50 116.97 113.21 2g1e h TYR 38 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2g1e h TYR 38 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2g1e h TYR 38 CO -0.36 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.36 2g1e n GLY 39 N 0.86 -1.72 0.12 3.88 0.00 0.86 -4.18 105.19 105.03 2g1e n GLY 39 Ca 0.02 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 2g1e n GLY 39 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g1e h SER 40 N 0.00 0.00 -1.02 1.61 4.64 -1.88 -3.15 113.55 113.75 2g1e h SER 40 Ca 0.00 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.57 2g1e h SER 40 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2g1e h SER 40 CO 0.00 0.68 0.66 -0.08 -0.87 0.00 0.00 176.83 177.22 2g1e h GLU 41 N 0.00 0.37 0.07 4.77 4.81 -1.92 0.29 114.58 122.98 2g1e h GLU 41 Ca -0.01 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2g1e h GLU 41 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2g1e h GLU 41 CO 0.09 0.25 -0.03 0.35 -0.73 0.00 0.00 179.01 178.93 2g1e h PHE 42 N 0.38 -0.08 -0.94 0.92 3.57 -1.71 -1.13 116.94 117.95 2g1e h PHE 42 Ca 0.57 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.16 2g1e h PHE 42 Cb 1.46 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 40.15 2g1e h PHE 42 CO -0.00 0.49 0.58 1.15 -2.23 0.00 0.00 178.31 178.30 2g1e h THR 43 N -0.87 0.97 -0.12 4.41 2.02 -1.37 -0.73 112.91 117.22 2g1e h THR 43 Ca -0.01 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.71 2g1e h THR 43 Cb 0.61 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2g1e h THR 43 CO 0.02 0.18 -0.40 0.11 0.37 0.00 0.00 175.52 175.80 2g1e h LYS 44 N 0.98 0.48 0.00 6.66 1.79 -0.55 0.28 116.57 126.20 2g1e h LYS 44 Ca 0.44 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2g1e h LYS 44 Cb 0.34 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2g1e h LYS 44 CO -0.23 0.98 -0.00 1.96 -1.08 0.00 0.00 179.45 181.08 2g1e h GLN 45 N 0.08 0.00 0.00 3.15 1.08 -0.62 -2.37 115.11 116.42 2g1e h GLN 45 Ca -0.02 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.82 2g1e h GLN 45 Cb 1.02 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.39 2g1e h GLN 45 CO 0.08 0.00 -2.37 -1.33 -0.95 0.00 0.00 178.83 174.27 2g1e n MET 46 N -3.12 0.75 -2.24 1.46 2.81 -0.33 -4.87 117.12 111.59 2g1e n MET 46 Ca -0.03 0.04 -0.42 0.00 -1.81 0.00 0.00 57.70 55.49 2g1e n MET 46 Cb 0.10 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.48 2.09 -0.54 2.03 1.51 0.96 -4.78 117.35 116.15 2g1e s TYR 47 Ca -0.18 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.51 2g1e s TYR 47 Cb 0.07 -4.27 0.14 0.00 -0.11 0.00 0.00 41.96 37.79 2g1e s TYR 47 CO 0.72 -2.25 0.29 -0.51 -1.11 0.00 0.00 175.55 172.69 2g1e s ASP 48 N 5.34 4.45 0.00 2.29 1.01 -1.26 -4.85 116.67 123.65 2g1e s ASP 48 Ca 0.63 -3.01 0.00 0.00 0.71 0.00 0.00 52.55 50.87 2g1e s ASP 48 Cb -0.14 -1.67 0.00 0.00 1.01 0.00 0.00 42.92 42.12 2g1e s ASP 48 CO 0.28 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.02 2g1e n GLY 49 N 3.13 1.78 1.40 0.21 0.00 -1.26 -4.77 105.19 105.67 2g1e n GLY 49 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2g1e n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g1e n ASN 50 N 0.04 0.58 -4.64 1.61 3.02 -1.26 -5.12 115.26 109.50 2g1e n ASN 50 Ca 0.00 0.25 -0.24 0.00 -0.03 0.00 0.00 54.58 54.56 2g1e n ASN 50 Cb 0.00 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2g1e s ASN 51 N -5.54 4.31 0.03 6.41 0.01 -1.26 -5.05 114.94 113.85 2g1e s ASN 51 Ca 0.00 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2g1e s ASN 51 Cb 0.00 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.03 2g1e s ASN 51 CO 0.00 -0.16 0.00 -0.11 -1.51 0.00 0.00 177.10 175.32 2g1e n LEU 52 N -0.94 -0.03 0.01 0.60 -0.00 -1.26 -4.47 117.00 110.91 2g1e n LEU 52 Ca -0.05 0.05 0.19 0.00 -0.00 0.00 0.00 56.01 56.20 2g1e n LEU 52 Cb 0.61 0.06 0.67 0.00 -0.00 0.00 0.00 43.42 44.77 2g1e n LEU 52 CO 0.42 -0.53 1.17 0.15 -0.00 0.00 0.00 177.39 178.61 2g1e h PHE 53 N 0.00 0.03 0.00 1.96 3.57 -1.94 0.48 116.94 121.04 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2g1e h PHE 53 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2g1e h PHE 53 CO 0.00 0.01 0.00 1.57 -2.23 0.00 0.00 178.31 177.66 2g1e h LYS 54 N 0.03 0.00 0.00 1.11 2.10 -2.01 -2.71 116.57 115.09 2g1e h LYS 54 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2g1e h LYS 54 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2g1e h LYS 54 CO -0.01 0.00 -0.83 0.09 -2.00 0.00 0.00 179.45 176.70 2g1e n ASN 55 N -2.71 3.90 -4.53 7.07 3.02 0.99 -5.05 115.26 117.94 2g1e n ASN 55 Ca -0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 2g1e n ASN 55 Cb 0.13 1.02 -0.00 0.00 -0.61 0.00 0.00 39.78 40.32 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2g1e n VAL 56 N -1.42 2.06 -3.97 2.41 3.14 0.13 -4.55 118.33 116.12 2g1e n VAL 56 Ca -0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 2g1e n VAL 56 Cb 0.02 -0.81 -0.14 0.00 -1.06 0.00 0.00 33.84 31.85 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 -1.26 2.68 -0.05 1.55 1.10 -1.25 -4.98 121.20 119.00 2g1e s ILE 57 Ca 0.62 -1.48 0.06 0.00 -0.51 0.00 0.00 60.65 59.34 2g1e s ILE 57 Cb -0.64 -2.56 -0.01 0.00 0.15 0.00 0.00 42.46 39.40 2g1e s ILE 57 CO 0.58 -0.08 -0.23 0.27 -2.11 0.00 0.00 174.94 173.37 2g1e s ILE 58 N 1.20 1.90 -0.20 2.00 -0.00 -1.26 -2.54 121.20 122.30 2g1e s ILE 58 Ca -0.07 -0.99 -0.03 0.00 -0.00 0.00 0.00 60.65 59.56 2g1e s ILE 58 Cb -0.20 -1.60 -0.01 0.00 -0.00 0.00 0.00 42.46 40.65 2g1e s ILE 58 CO -0.03 0.53 -0.05 -0.76 -0.00 0.00 0.00 174.94 174.64 2g1e s LEU 59 N -0.22 2.94 -0.22 0.37 1.43 -1.01 -3.98 118.68 118.00 2g1e s LEU 59 Ca -0.01 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2g1e s LEU 59 Cb -0.12 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2g1e s LEU 59 CO 0.02 0.03 0.12 0.54 0.23 0.00 0.00 176.35 177.29 2g1e s VAL 60 N 1.18 5.09 -1.05 -1.59 0.11 0.86 -1.73 120.40 123.26 2g1e s VAL 60 Ca 0.02 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 2g1e s VAL 60 Cb -0.14 -3.34 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 2g1e s VAL 60 CO -0.01 0.39 0.18 -3.20 -3.33 0.00 0.00 175.10 169.13 2g1e n ASN 61 N 4.00 -3.64 -1.85 3.54 5.15 0.57 -1.75 115.26 121.28 2g1e n ASN 61 Ca -0.16 0.01 -0.05 0.00 -0.60 0.00 0.00 54.58 53.79 2g1e n ASN 61 Cb 0.52 -3.07 0.02 0.00 -0.53 0.00 0.00 39.78 36.72 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2g1e n GLY 62 N -0.92 0.26 3.63 8.20 0.00 -1.26 -5.02 105.19 110.08 2g1e n GLY 62 Ca -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.26 -0.14 0.24 1.61 2.47 -0.72 -5.14 114.94 110.00 2g1e s ASN 63 Ca 0.06 0.19 -0.30 0.00 0.42 0.00 0.00 52.86 53.23 2g1e s ASN 63 Cb -0.01 0.16 -0.09 0.00 -1.45 0.00 0.00 41.25 39.86 2g1e s ASN 63 CO 0.21 -0.11 1.18 0.54 -3.72 0.00 0.00 177.10 175.20 2g1e s ASN 64 N -0.80 7.10 0.28 -4.21 2.20 -1.26 -0.10 114.94 118.15 2g1e s ASN 64 Ca 0.06 2.31 0.14 0.00 -0.94 0.00 0.00 52.86 54.43 2g1e s ASN 64 Cb -0.02 -2.62 0.28 0.00 -2.00 0.00 0.00 41.25 36.89 2g1e s ASN 64 CO -0.07 -0.32 1.54 0.16 -2.94 0.00 0.00 177.10 175.48 2g1e h ILE 65 N 3.43 1.17 -0.24 0.54 3.07 -1.83 -3.14 117.51 120.52 2g1e h ILE 65 Ca -0.46 -2.22 0.07 0.00 1.55 0.00 0.00 64.86 63.80 2g1e h ILE 65 Cb 1.21 2.29 -0.01 0.00 -0.27 0.00 0.00 36.82 40.04 2g1e h ILE 65 CO 0.71 0.58 0.27 0.71 -1.05 0.00 0.00 178.15 179.36 2g1e h THR 66 N 0.00 0.44 -0.26 0.16 1.35 -1.90 0.52 112.91 113.21 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 1.24 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2g1e h THR 66 CO 0.08 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.11 2g1e n SER 67 N -3.76 1.81 0.00 5.36 2.88 -1.18 -4.65 113.62 114.06 2g1e n SER 67 Ca 0.03 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.48 2g1e n SER 67 Cb 0.40 -0.28 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 0.30 0.00 -4.43 -1.46 0.00 0.16 -5.10 117.12 106.58 2g1e n MET 68 Ca 0.10 0.00 -0.21 0.00 -0.00 0.00 0.00 57.70 57.59 2g1e n MET 68 Cb 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.44 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 1.62 -0.03 2.12 2.47 0.26 -5.06 119.74 121.13 2g1e s LYS 69 Ca 0.00 -1.90 -0.03 0.00 -1.56 0.00 0.00 55.97 52.48 2g1e s LYS 69 Cb 0.00 -0.78 -0.01 0.00 -1.46 0.00 0.00 37.83 35.58 2g1e s LYS 69 CO 0.00 -0.21 -0.05 0.41 0.16 0.00 0.00 175.35 175.66 2g1e n GLY 70 N -0.66 -0.42 0.02 5.54 0.00 -1.26 -3.81 105.19 104.60 2g1e n GLY 70 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2g1e n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g1e n LEU 71 N -2.82 0.00 -0.65 0.99 4.77 -1.26 -4.34 117.00 113.69 2g1e n LEU 71 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2g1e n LEU 71 Cb 0.08 0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.43 2g1e n LEU 71 CO 0.03 0.09 0.64 0.47 -1.33 0.00 0.00 177.39 177.29 2g1e n ASP 72 N -2.16 1.89 -4.71 -1.43 9.92 -1.26 -3.39 116.55 115.41 2g1e n ASP 72 Ca -0.08 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.79 51.78 2g1e n ASP 72 Cb 0.55 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 40.77 2g1e n ASP 72 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2g1e s THR 73 N -1.54 2.52 0.31 -3.53 2.01 -1.26 -4.91 115.64 109.25 2g1e s THR 73 Ca 0.24 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.55 2g1e s THR 73 Cb 0.13 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 2g1e s THR 73 CO 0.17 0.01 0.27 -1.61 -0.69 0.00 0.00 174.62 172.76 2g1e s GLU 74 N 1.90 2.79 0.12 4.92 2.02 -1.26 -1.34 118.70 127.85 2g1e s GLU 74 Ca 0.75 -1.22 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2g1e s GLU 74 Cb -0.45 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2g1e s GLU 74 CO 0.33 0.18 0.07 0.42 0.02 0.00 0.00 175.26 176.28 2g1e s ILE 75 N -2.26 4.28 0.86 -1.63 1.01 -1.23 -4.92 121.20 117.32 2g1e s ILE 75 Ca 0.39 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 2g1e s ILE 75 Cb -0.06 -3.11 0.14 0.00 0.01 0.00 0.00 42.46 39.43 2g1e s ILE 75 CO 0.26 0.02 1.22 -0.54 0.00 0.00 0.00 174.94 175.89 2g1e s LYS 76 N -2.67 1.37 0.58 2.79 -0.14 -1.26 -4.90 119.74 115.51 2g1e s LYS 76 Ca 0.29 -0.25 0.28 0.00 -1.36 0.00 0.00 55.97 54.94 2g1e s LYS 76 Cb -0.11 -1.95 1.55 0.00 -1.68 0.00 0.00 37.83 35.64 2g1e s LYS 76 CO 0.21 -1.92 2.00 0.22 -0.76 0.00 0.00 175.35 175.10 2g1e h ASP 77 N -1.24 0.00 -0.63 2.83 1.82 -2.02 -0.85 116.42 116.33 2g1e h ASP 77 Ca -0.44 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.22 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.25 2g1e h ASP 77 CO 0.51 0.00 0.38 0.44 -1.61 0.00 0.00 179.24 178.96 2g1e h ASP 78 N 0.00 0.62 -4.95 2.28 5.19 -1.98 -3.48 116.42 114.11 2g1e h ASP 78 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2g1e h ASP 78 Cb 0.83 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2g1e h ASP 78 CO -0.00 0.43 -0.39 0.47 -3.12 0.00 0.00 179.24 176.63 2g1e n ASP 79 N -4.72 -7.07 -3.67 6.45 8.00 -0.33 -4.79 116.55 110.42 2g1e n ASP 79 Ca 0.06 0.42 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 2g1e n ASP 79 Cb 0.09 -4.75 -0.12 0.00 -0.02 0.00 0.00 41.12 36.31 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 -2.42 0.20 -0.01 -1.24 2.20 -1.26 -1.49 119.74 115.72 2g1e s LYS 80 Ca 0.20 0.81 0.06 0.00 -0.36 0.00 0.00 55.97 56.67 2g1e s LYS 80 Cb -0.05 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2g1e s LYS 80 CO 0.65 -0.27 -0.20 0.42 -0.36 0.00 0.00 175.35 175.60 2g1e s ILE 81 N 2.37 1.60 -0.08 5.43 1.01 0.08 -0.32 121.20 131.29 2g1e s ILE 81 Ca -0.00 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.78 2g1e s ILE 81 Cb -0.12 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.10 0.42 -0.21 -1.81 0.00 0.00 0.00 174.94 173.24 2g1e s ASP 82 N -0.56 3.41 -0.27 3.58 1.01 -0.71 -0.48 116.67 122.64 2g1e s ASP 82 Ca 0.08 -0.44 -0.03 0.00 0.71 0.00 0.00 52.55 52.87 2g1e s ASP 82 Cb -0.08 -1.13 0.03 0.00 1.01 0.00 0.00 42.92 42.74 2g1e s ASP 82 CO -0.00 0.22 -0.01 -0.76 0.21 0.00 0.00 175.17 174.83 2g1e s LEU 83 N -0.02 3.51 0.10 1.23 1.43 -0.74 -2.40 118.68 121.79 2g1e s LEU 83 Ca -0.07 -0.90 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 2g1e s LEU 83 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2g1e s LEU 83 CO 0.05 -0.17 -0.26 -0.36 0.23 0.00 0.00 176.35 175.84 2g1e s PHE 84 N 1.36 2.21 -0.02 0.29 0.40 -1.05 -1.74 117.98 119.43 2g1e s PHE 84 Ca -0.00 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.64 2g1e s PHE 84 Cb -0.17 -1.23 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 2g1e s PHE 84 CO -0.02 0.26 1.47 -1.25 0.70 0.00 0.00 175.22 176.38 2g1e s PRO 85 N -1.82 4.24 0.82 0.24 0.04 -1.26 -3.79 135.00 133.48 2g1e s PRO 85 Ca 0.12 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.07 2g1e s PRO 85 Cb -0.10 -3.69 0.09 0.00 0.04 0.00 0.00 34.50 30.83 2g1e s PRO 85 CO 0.05 -0.67 1.09 -1.25 0.04 0.00 0.00 177.00 176.26 2g1e s PRO 86 N 2.93 1.85 0.60 0.56 0.04 -1.26 -4.88 135.00 134.83 2g1e s PRO 86 Ca 0.66 1.03 0.30 0.00 0.04 0.00 0.00 61.00 63.03 2g1e s PRO 86 Cb -0.32 -1.86 1.76 0.00 0.04 0.00 0.00 34.50 34.12 2g1e s PRO 86 CO 0.26 -1.89 2.17 -0.39 0.04 0.00 0.00 177.00 177.20 2g1e h VAL 87 N -1.30 0.46 -0.74 -0.36 -1.51 -1.95 0.35 116.25 111.20 2g1e h VAL 87 Ca -0.46 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 64.67 2g1e h VAL 87 Cb 1.25 0.90 -0.20 0.00 -2.13 0.00 0.00 31.29 31.11 2g1e h VAL 87 CO 0.53 0.00 0.43 0.00 -1.23 0.00 0.00 177.57 177.29 2g1e n ALA 88 N -2.30 4.74 0.00 5.19 0.00 -1.26 -4.08 120.51 122.80 2g1e n ALA 88 Ca -0.00 -2.19 0.00 0.00 0.00 0.00 0.00 53.44 51.24 2g1e n ALA 88 Cb 0.22 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.57 0.00 0.00 0.00 0.00 0.11 -4.36 105.19 100.38 2g1e n GLY 89 Ca 0.43 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.61 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93