#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 1.76 -0.12 3.17 0.11 -0.16 -4.78 120.40 120.38 2g1e s VAL 2 Ca 0.00 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 57.98 2g1e s VAL 2 Cb 0.00 -1.48 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 2g1e s VAL 2 CO 0.00 0.50 0.32 0.42 -3.33 0.00 0.00 175.10 173.01 2g1e s THR 3 N -0.33 5.26 -0.05 5.04 -4.23 -0.43 -0.10 115.64 120.81 2g1e s THR 3 Ca 0.03 0.61 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2g1e s THR 3 Cb -0.10 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.11 2g1e s THR 3 CO 0.01 0.45 -0.09 0.54 -0.54 0.00 0.00 174.62 174.98 2g1e s VAL 4 N -0.00 0.88 0.11 2.29 0.11 -0.35 -0.26 120.40 123.19 2g1e s VAL 4 Ca 0.19 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 2g1e s VAL 4 Cb -0.14 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2g1e s VAL 4 CO 0.06 0.29 -0.14 0.00 -3.33 0.00 0.00 175.10 171.99 2g1e s ARG 5 N 0.63 1.96 -0.08 1.54 1.70 -0.72 -2.26 118.95 121.73 2g1e s ARG 5 Ca -0.11 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.09 2g1e s ARG 5 Cb -0.14 -2.21 -0.02 0.00 -0.57 0.00 0.00 34.95 32.01 2g1e s ARG 5 CO 0.02 0.50 -0.19 0.71 -1.08 0.00 0.00 175.30 175.26 2g1e s TYR 6 N -1.17 2.62 0.00 5.89 2.02 -1.21 -2.17 117.35 123.34 2g1e s TYR 6 Ca 0.19 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2g1e s TYR 6 Cb -0.11 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 2g1e s TYR 6 CO 0.12 -0.10 0.00 0.66 -1.57 0.00 0.00 175.55 174.66 2g1e n TYR 7 N 2.92 0.00 0.00 2.71 4.01 -0.76 -4.64 117.16 121.40 2g1e n TYR 7 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2g1e n TYR 7 Cb 0.52 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 -2.23 0.00 0.29 -0.72 0.00 -1.22 -4.63 120.51 111.99 2g1e n ALA 8 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2g1e n ALA 8 Cb 0.33 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.39 1.30 0.09 0.00 -2.24 -1.26 -2.21 114.28 109.57 2g1e n THR 9 Ca 0.00 0.33 0.01 0.00 -2.27 0.00 0.00 64.05 62.12 2g1e n THR 9 Cb 0.00 -1.20 0.35 0.00 -2.10 0.00 0.00 70.33 67.38 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 0.27 0.18 3.22 5.85 -1.95 -2.71 115.31 120.17 2g1e h LEU 10 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2g1e h LEU 10 Cb 0.11 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2g1e h LEU 10 CO 0.00 0.45 -0.40 0.03 -0.34 0.00 0.00 178.44 178.17 2g1e h ARG 11 N 0.27 -0.62 0.00 1.25 3.08 -1.70 0.76 114.38 117.42 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 -0.41 0.00 -0.35 -1.07 0.00 0.00 179.97 178.16 2g1e n PRO 12 N -4.78 0.11 -0.01 0.04 -0.04 -1.20 -0.48 135.00 128.65 2g1e n PRO 12 Ca -0.07 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2g1e n PRO 12 Cb 0.33 -1.50 -0.14 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 0.90 0.00 0.52 2.04 -0.88 -3.36 117.51 116.73 2g1e h ILE 13 Ca 0.00 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.13 2g1e h ILE 13 Cb 0.19 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2g1e h ILE 13 CO 0.00 0.56 -0.84 0.35 0.00 0.00 0.00 178.15 178.22 2g1e n THR 14 N -3.11 0.00 -3.62 -0.27 -2.24 0.14 -4.99 114.28 100.18 2g1e n THR 14 Ca -0.17 -0.17 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 2g1e n THR 14 Cb 1.04 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 70.20 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 -1.44 -5.80 -3.87 -0.78 5.02 0.37 -4.97 118.16 106.69 2g1e n LYS 15 Ca 0.02 0.70 -0.10 0.00 -2.02 0.00 0.00 58.31 56.91 2g1e n LYS 15 Cb 0.26 -5.61 -0.08 0.00 -0.02 0.00 0.00 35.03 29.58 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 -6.32 0.71 -0.14 1.97 3.01 -1.22 -5.07 119.74 112.68 2g1e s LYS 16 Ca 0.56 -0.75 -0.11 0.00 -1.01 0.00 0.00 55.97 54.66 2g1e s LYS 16 Cb -0.27 0.29 -0.08 0.00 -1.01 0.00 0.00 37.83 36.76 2g1e s LYS 16 CO 0.69 -0.21 0.10 0.87 0.51 0.00 0.00 175.35 177.31 2g1e h LYS 17 N 3.30 0.00 -3.02 1.68 1.57 -1.93 -3.45 116.57 114.73 2g1e h LYS 17 Ca -0.33 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 2g1e h LYS 17 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.34 2g1e h LYS 17 CO 0.51 0.31 -0.08 -2.00 -0.57 0.00 0.00 179.45 177.62 2g1e s GLU 18 N -2.00 0.95 0.18 3.15 2.12 -1.26 -3.29 118.70 118.55 2g1e s GLU 18 Ca -0.12 -0.37 -0.18 0.00 0.36 0.00 0.00 54.97 54.66 2g1e s GLU 18 Cb 0.01 0.42 0.03 0.00 0.26 0.00 0.00 34.13 34.86 2g1e s GLU 18 CO 0.27 -0.33 0.51 -1.83 -0.54 0.00 0.00 175.26 173.33 2g1e s GLU 19 N -2.58 1.30 0.32 4.30 -1.05 -0.96 -5.03 118.70 115.01 2g1e s GLU 19 Ca -0.05 -0.78 0.07 0.00 -0.15 0.00 0.00 54.97 54.06 2g1e s GLU 19 Cb -0.01 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.19 2g1e s GLU 19 CO -0.03 -0.55 0.42 0.95 0.95 0.00 0.00 175.26 177.01 2g1e s THR 20 N -3.84 4.14 0.13 1.83 -4.23 -1.26 -1.21 115.64 111.20 2g1e s THR 20 Ca 0.07 -1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 2g1e s THR 20 Cb -0.00 -3.43 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 2g1e s THR 20 CO -0.06 -0.18 0.18 -0.36 -0.54 0.00 0.00 174.62 173.65 2g1e s PHE 21 N -2.17 0.46 -0.00 3.99 0.08 0.86 -4.94 117.98 116.27 2g1e s PHE 21 Ca 0.43 -0.86 0.01 0.00 0.12 0.00 0.00 56.93 56.62 2g1e s PHE 21 Cb -0.09 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.17 2g1e s PHE 21 CO 0.30 -0.60 -0.03 0.54 -0.10 0.00 0.00 175.22 175.34 2g1e s ASN 22 N -2.96 0.29 0.00 1.36 4.22 -1.26 -0.98 114.94 115.61 2g1e s ASN 22 Ca 0.15 -0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.80 2g1e s ASN 22 Cb 0.05 -0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.56 2g1e s ASN 22 CO -0.03 0.01 0.00 0.61 -2.04 0.00 0.00 177.10 175.65 2g1e n GLY 23 N 2.94 0.60 3.24 0.45 0.00 -1.26 -5.07 105.19 106.09 2g1e n GLY 23 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 3.01 0.00 -0.61 1.01 -1.26 -4.92 121.20 116.43 2g1e s ILE 24 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2g1e s ILE 24 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.03 2g1e s ILE 24 CO 0.00 0.32 0.30 -0.24 0.00 0.00 0.00 174.94 175.32 2g1e n SER 25 N 4.72 0.61 -4.14 3.58 2.88 -1.26 -4.86 113.62 115.14 2g1e n SER 25 Ca -0.18 -0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 56.34 2g1e n SER 25 Cb 0.49 0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.12 0.76 0.12 -1.46 -0.14 -1.26 -3.49 119.74 114.15 2g1e s LYS 26 Ca 0.00 -1.09 -0.13 0.00 -1.36 0.00 0.00 55.97 53.38 2g1e s LYS 26 Cb 0.00 -0.40 -0.05 0.00 -1.68 0.00 0.00 37.83 35.70 2g1e s LYS 26 CO 0.00 0.05 1.47 0.82 -0.76 0.00 0.00 175.35 176.93 2g1e h ILE 27 N 3.68 1.29 -0.16 2.17 1.08 -1.49 -2.11 117.51 121.97 2g1e h ILE 27 Ca -0.37 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 62.76 2g1e h ILE 27 Cb 1.19 1.41 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 2g1e h ILE 27 CO 0.52 0.46 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.92 2g1e h SER 28 N 0.58 -0.78 0.38 1.72 0.87 -1.56 0.19 113.55 114.95 2g1e h SER 28 Ca 0.07 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 2g1e h SER 28 Cb 0.82 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2g1e h SER 28 CO 0.07 -0.29 -0.33 -0.33 -0.53 0.00 0.00 176.83 175.42 2g1e h GLU 29 N -0.30 0.00 0.05 2.24 4.39 -1.84 -2.80 114.58 116.32 2g1e h GLU 29 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 2g1e h GLU 29 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2g1e h GLU 29 CO -0.33 0.33 -0.02 1.25 -1.16 0.00 0.00 179.01 179.07 2g1e h LEU 30 N 0.00 -0.06 -0.06 1.33 7.12 -0.42 -1.92 115.31 121.30 2g1e h LEU 30 Ca -0.00 -0.32 0.03 0.00 0.13 0.00 0.00 57.88 57.71 2g1e h LEU 30 Cb 0.60 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.72 2g1e h LEU 30 CO 0.04 0.29 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.46 2g1e h LEU 31 N -0.42 -0.34 -2.00 2.25 3.38 -0.61 -1.14 115.31 116.44 2g1e h LEU 31 Ca -0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2g1e h LEU 31 Cb 0.37 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2g1e h LEU 31 CO 0.01 -0.16 0.08 1.05 0.09 0.00 0.00 178.44 179.51 2g1e h GLU 32 N -0.16 0.00 -0.00 1.13 4.11 -1.53 -0.46 114.58 117.66 2g1e h GLU 32 Ca 0.06 -0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.37 2g1e h GLU 32 Cb 0.25 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2g1e h GLU 32 CO -0.16 0.00 -0.56 0.00 0.07 0.00 0.00 179.01 178.37 2g1e h ARG 33 N 0.00 0.01 0.10 1.06 2.47 -0.40 -2.57 114.38 115.06 2g1e h ARG 33 Ca 0.05 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2g1e h ARG 33 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2g1e h ARG 33 CO -0.00 0.56 -0.05 -0.07 0.56 0.00 0.00 179.97 180.97 2g1e h LEU 34 N 0.01 -0.12 -1.26 3.04 3.38 -0.29 0.27 115.31 120.34 2g1e h LEU 34 Ca -0.01 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2g1e h LEU 34 Cb 0.99 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2g1e h LEU 34 CO 0.07 0.36 0.52 0.50 0.09 0.00 0.00 178.44 179.98 2g1e h LYS 35 N -0.63 0.94 0.15 1.13 3.11 -1.52 0.26 116.57 120.01 2g1e h LYS 35 Ca -0.01 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 2g1e h LYS 35 Cb 0.50 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2g1e h LYS 35 CO 0.02 0.62 -0.07 0.28 -2.81 0.00 0.00 179.45 177.50 2g1e h VAL 36 N 0.97 0.57 -0.17 2.00 2.07 -1.45 0.28 116.25 120.51 2g1e h VAL 36 Ca 0.31 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2g1e h VAL 36 Cb 0.03 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2g1e h VAL 36 CO -0.09 0.17 -0.10 -0.08 0.02 0.00 0.00 177.57 177.48 2g1e h GLU 37 N -0.98 -0.09 0.00 1.57 4.57 -0.37 -1.77 114.58 117.50 2g1e h GLU 37 Ca -0.02 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 2g1e h GLU 37 Cb 0.42 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2g1e h GLU 37 CO 0.03 -0.06 -0.32 1.88 -1.18 0.00 0.00 179.01 179.36 2g1e h TYR 38 N -0.10 0.00 0.00 0.92 0.05 -0.61 -3.50 116.97 113.73 2g1e h TYR 38 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2g1e h TYR 38 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2g1e h TYR 38 CO -0.25 0.32 0.00 0.41 -1.05 0.00 0.00 178.16 177.59 2g1e n GLY 39 N 0.72 -1.82 0.13 3.88 0.00 0.99 -4.25 105.19 104.86 2g1e n GLY 39 Ca 0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 0.06 -1.00 1.61 0.02 -1.89 -3.17 113.55 109.18 2g1e h SER 40 Ca 0.00 -0.04 0.21 0.00 -0.84 0.00 0.00 61.79 61.12 2g1e h SER 40 Cb 0.00 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.41 2g1e h SER 40 CO 0.00 0.72 0.61 -0.08 -1.14 0.00 0.00 176.83 176.94 2g1e h GLU 41 N 0.03 0.65 0.18 3.45 4.81 -1.91 0.30 114.58 122.09 2g1e h GLU 41 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2g1e h GLU 41 Cb 1.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2g1e h GLU 41 CO 0.09 0.43 -0.08 0.35 -0.73 0.00 0.00 179.01 179.07 2g1e h PHE 42 N 0.67 -0.22 -0.98 0.92 3.57 -1.72 0.26 116.94 119.44 2g1e h PHE 42 Ca 0.60 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.14 2g1e h PHE 42 Cb 1.05 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.80 2g1e h PHE 42 CO -0.00 0.16 0.64 1.15 -2.23 0.00 0.00 178.31 178.02 2g1e h THR 43 N -0.66 1.12 -0.07 4.41 2.02 -1.39 -0.95 112.91 117.38 2g1e h THR 43 Ca -0.02 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 2g1e h THR 43 Cb 0.48 -0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 2g1e h THR 43 CO 0.04 0.22 -0.46 0.11 0.37 0.00 0.00 175.52 175.79 2g1e h LYS 44 N 1.18 0.45 0.00 6.66 1.57 -0.45 0.33 116.57 126.31 2g1e h LYS 44 Ca 0.41 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2g1e h LYS 44 Cb 0.10 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 2g1e h LYS 44 CO -0.15 1.02 -0.00 1.96 -0.57 0.00 0.00 179.45 181.71 2g1e h GLN 45 N -0.01 0.00 0.00 3.15 1.08 -0.08 -2.47 115.11 116.79 2g1e h GLN 45 Ca -0.04 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.81 2g1e h GLN 45 Cb 1.12 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.49 2g1e h GLN 45 CO 0.09 0.00 -2.34 -0.12 -0.95 0.00 0.00 178.83 175.52 2g1e n MET 46 N -3.17 0.79 -2.01 1.46 1.56 -0.40 -4.88 117.12 110.47 2g1e n MET 46 Ca -0.02 0.04 -0.41 0.00 -0.27 0.00 0.00 57.70 57.04 2g1e n MET 46 Cb 0.11 -1.49 -0.03 0.00 2.15 0.00 0.00 33.22 33.96 2g1e n MET 46 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2g1e s TYR 47 N -2.47 1.75 -0.54 1.12 1.51 0.12 -4.85 117.35 113.99 2g1e s TYR 47 Ca -0.18 0.73 0.03 0.00 -1.01 0.00 0.00 57.07 56.64 2g1e s TYR 47 Cb 0.07 -4.10 0.13 0.00 -0.11 0.00 0.00 41.96 37.95 2g1e s TYR 47 CO 0.70 -2.67 0.29 -0.51 -1.11 0.00 0.00 175.55 172.25 2g1e s ASP 48 N 6.96 4.42 0.00 2.29 1.01 -1.26 -4.77 116.67 125.31 2g1e s ASP 48 Ca 0.75 -3.05 0.00 0.00 0.71 0.00 0.00 52.55 50.96 2g1e s ASP 48 Cb -0.18 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.09 2g1e s ASP 48 CO 0.29 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2g1e n GLY 49 N 3.07 3.31 0.31 0.21 0.00 -1.26 -4.77 105.19 106.07 2g1e n GLY 49 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.41 -4.64 1.61 2.85 -1.26 -5.15 115.26 108.26 2g1e n ASN 50 Ca 0.00 0.35 -0.24 0.00 -0.11 0.00 0.00 54.58 54.58 2g1e n ASN 50 Cb 0.00 0.67 -0.08 0.00 1.24 0.00 0.00 39.78 41.61 2g1e n ASN 50 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2g1e s ASN 51 N -2.00 4.32 0.25 1.20 3.84 -1.26 -5.00 114.94 116.29 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.21 2g1e s ASN 51 Cb 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 41.25 40.06 2g1e s ASN 51 CO 0.00 -0.15 0.00 -0.11 -2.79 0.00 0.00 177.10 174.05 2g1e n LEU 52 N -0.94 -1.48 -0.00 3.21 -0.00 -1.26 -4.27 117.00 112.27 2g1e n LEU 52 Ca -0.05 0.45 0.19 0.00 -0.00 0.00 0.00 56.01 56.61 2g1e n LEU 52 Cb 0.61 1.54 0.67 0.00 -0.00 0.00 0.00 43.42 46.24 2g1e n LEU 52 CO 0.42 -0.32 1.18 -0.26 -0.00 0.00 0.00 177.39 178.41 2g1e h PHE 53 N 0.00 0.04 0.00 1.96 -1.00 -1.94 0.53 116.94 116.53 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2g1e h PHE 53 Cb 0.00 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2g1e h PHE 53 CO 0.00 0.02 0.00 1.57 -1.61 0.00 0.00 178.31 178.29 2g1e h LYS 54 N 0.04 0.00 0.00 1.51 5.09 -2.01 -2.71 116.57 118.49 2g1e h LYS 54 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.99 2g1e h LYS 54 Cb 0.94 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.27 2g1e h LYS 54 CO -0.01 0.00 -0.58 0.09 -2.09 0.00 0.00 179.45 176.86 2g1e n ASN 55 N -2.69 2.76 -4.53 7.07 5.03 0.11 -5.06 115.26 117.95 2g1e n ASN 55 Ca -0.01 -0.22 -0.40 0.00 0.87 0.00 0.00 54.58 54.82 2g1e n ASN 55 Cb 0.15 1.01 0.02 0.00 -1.02 0.00 0.00 39.78 39.94 2g1e n ASN 55 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2g1e n VAL 56 N -1.29 2.42 -4.10 2.41 3.14 0.14 -4.58 118.33 116.46 2g1e n VAL 56 Ca -0.00 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.55 2g1e n VAL 56 Cb 0.01 -0.86 -0.16 0.00 -1.06 0.00 0.00 33.84 31.77 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 -1.49 2.13 -0.09 1.55 2.07 -1.23 -4.95 121.20 119.19 2g1e s ILE 57 Ca 0.67 -1.11 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 2g1e s ILE 57 Cb -0.52 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.08 2g1e s ILE 57 CO 0.55 0.39 -0.22 0.27 -1.91 0.00 0.00 174.94 174.02 2g1e s ILE 58 N 1.25 1.88 -0.24 2.00 -0.00 -1.26 -2.50 121.20 122.32 2g1e s ILE 58 Ca 0.01 -0.91 -0.09 0.00 -0.00 0.00 0.00 60.65 59.66 2g1e s ILE 58 Cb -0.15 -1.64 -0.04 0.00 -0.00 0.00 0.00 42.46 40.63 2g1e s ILE 58 CO -0.11 0.52 0.12 -0.76 -0.00 0.00 0.00 174.94 174.71 2g1e s LEU 59 N 0.42 3.82 -0.20 0.37 1.43 -0.90 -3.84 118.68 119.78 2g1e s LEU 59 Ca -0.18 -0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2g1e s LEU 59 Cb -0.17 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2g1e s LEU 59 CO 0.08 0.03 0.14 0.54 0.23 0.00 0.00 176.35 177.36 2g1e s VAL 60 N 1.25 5.40 -1.02 -1.59 0.11 -0.74 -1.21 120.40 122.61 2g1e s VAL 60 Ca 0.06 0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 2g1e s VAL 60 Cb -0.14 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2g1e s VAL 60 CO 0.05 0.43 0.03 -3.20 -3.33 0.00 0.00 175.10 169.08 2g1e n ASN 61 N 3.58 -3.78 -2.20 3.54 5.15 0.95 -1.93 115.26 120.57 2g1e n ASN 61 Ca -0.16 0.18 -0.07 0.00 -0.60 0.00 0.00 54.58 53.93 2g1e n ASN 61 Cb 0.52 -3.21 0.03 0.00 -0.53 0.00 0.00 39.78 36.59 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 -0.81 0.04 3.65 8.20 0.00 -1.26 -5.01 105.19 109.99 2g1e n GLY 62 Ca -0.13 0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.27 -0.04 0.13 1.61 2.47 -0.81 -5.14 114.94 109.89 2g1e s ASN 63 Ca 0.15 0.06 -0.35 0.00 0.42 0.00 0.00 52.86 53.14 2g1e s ASN 63 Cb -0.02 0.87 -0.16 0.00 -1.45 0.00 0.00 41.25 40.49 2g1e s ASN 63 CO 0.32 -0.01 1.38 -0.46 -3.72 0.00 0.00 177.10 174.61 2g1e n ASN 64 N 2.82 2.06 0.17 -4.21 6.94 -1.26 -1.79 115.26 119.99 2g1e n ASN 64 Ca -0.16 1.11 0.04 0.00 -0.02 0.00 0.00 54.58 55.56 2g1e n ASN 64 Cb 0.56 -1.27 0.20 0.00 -2.36 0.00 0.00 39.78 36.91 2g1e n ASN 64 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 2g1e h ILE 65 N 3.29 0.85 -0.28 1.53 3.07 -1.83 -3.14 117.51 121.00 2g1e h ILE 65 Ca -0.46 -1.83 0.08 0.00 1.55 0.00 0.00 64.86 64.20 2g1e h ILE 65 Cb 1.31 2.15 -0.01 0.00 -0.27 0.00 0.00 36.82 40.00 2g1e h ILE 65 CO 0.79 0.42 0.29 0.71 -1.05 0.00 0.00 178.15 179.31 2g1e h THR 66 N 0.00 0.47 0.00 0.16 1.35 -1.88 0.50 112.91 113.51 2g1e h THR 66 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2g1e h THR 66 Cb 1.12 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2g1e h THR 66 CO 0.06 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.09 2g1e n SER 67 N -3.83 0.00 0.00 5.36 2.88 -1.19 -4.52 113.62 112.33 2g1e n SER 67 Ca 0.04 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2g1e n SER 67 Cb 0.44 -0.33 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.33 0.00 -4.48 -1.46 0.00 0.15 -5.16 117.12 104.85 2g1e n MET 68 Ca 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.55 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 1.74 -0.06 2.12 2.20 0.14 -5.06 119.74 120.83 2g1e s LYS 69 Ca 0.00 -2.00 -0.08 0.00 -0.36 0.00 0.00 55.97 53.53 2g1e s LYS 69 Cb 0.00 -0.81 -0.03 0.00 -1.51 0.00 0.00 37.83 35.48 2g1e s LYS 69 CO 0.00 -0.28 -0.15 0.41 -0.36 0.00 0.00 175.35 174.98 2g1e n GLY 70 N -0.77 -0.37 0.04 5.54 0.00 -1.26 -3.56 105.19 104.81 2g1e n GLY 70 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.47 0.00 -0.61 0.99 -0.00 -1.26 -4.36 117.00 108.29 2g1e n LEU 71 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.01 2g1e n LEU 71 Cb 0.22 0.17 0.15 0.00 -0.00 0.00 0.00 43.42 43.96 2g1e n LEU 71 CO 0.09 0.17 0.63 0.47 -0.00 0.00 0.00 177.39 178.75 2g1e n ASP 72 N -2.27 1.77 -4.77 1.45 8.00 -1.26 -1.70 116.55 117.78 2g1e n ASP 72 Ca -0.13 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 52.98 2g1e n ASP 72 Cb 0.67 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.57 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 -1.56 2.16 0.32 -3.53 2.01 -1.26 -4.88 115.64 108.89 2g1e s THR 73 Ca 0.22 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.46 2g1e s THR 73 Cb 0.12 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 2g1e s THR 73 CO 0.15 0.02 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.46 2g1e s GLU 74 N -2.45 2.03 0.12 4.92 2.02 -1.26 -1.59 118.70 122.50 2g1e s GLU 74 Ca 0.61 -1.70 0.04 0.00 0.02 0.00 0.00 54.97 53.94 2g1e s GLU 74 Cb -0.43 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2g1e s GLU 74 CO 0.55 0.21 0.10 0.42 0.02 0.00 0.00 175.26 176.56 2g1e s ILE 75 N -2.49 4.50 0.84 -1.63 1.01 -1.23 -4.92 121.20 117.28 2g1e s ILE 75 Ca 0.33 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.95 2g1e s ILE 75 Cb -0.02 -3.22 0.13 0.00 0.01 0.00 0.00 42.46 39.36 2g1e s ILE 75 CO 0.19 0.02 1.18 -0.54 0.00 0.00 0.00 174.94 175.78 2g1e s LYS 76 N -2.72 1.41 0.57 2.79 -0.14 -1.26 -4.89 119.74 115.50 2g1e s LYS 76 Ca 0.30 -0.37 0.29 0.00 -1.36 0.00 0.00 55.97 54.83 2g1e s LYS 76 Cb -0.11 -2.01 1.48 0.00 -1.68 0.00 0.00 37.83 35.51 2g1e s LYS 76 CO 0.23 -1.84 1.93 -0.44 -0.76 0.00 0.00 175.35 174.46 2g1e h ASP 77 N -1.13 0.00 -0.75 2.83 3.32 -2.02 0.04 116.42 118.71 2g1e h ASP 77 Ca -0.44 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2g1e h ASP 77 Cb 1.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 2g1e h ASP 77 CO 0.49 0.00 0.48 -0.78 -1.72 0.00 0.00 179.24 177.71 2g1e h ASP 78 N 0.00 0.79 -4.87 6.45 1.82 -1.97 -3.48 116.42 115.16 2g1e h ASP 78 Ca 0.25 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2g1e h ASP 78 Cb 1.18 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.02 2g1e h ASP 78 CO -0.00 0.55 -0.37 0.47 -1.61 0.00 0.00 179.24 178.28 2g1e n ASP 79 N -4.62 -6.87 -3.70 2.28 8.00 -0.00 -4.78 116.55 106.86 2g1e n ASP 79 Ca 0.08 0.39 -0.12 0.00 0.71 0.00 0.00 54.79 55.86 2g1e n ASP 79 Cb 0.08 -4.60 -0.12 0.00 -0.02 0.00 0.00 41.12 36.46 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 -2.39 0.23 -0.04 -1.24 2.20 -1.26 -1.31 119.74 115.94 2g1e s LYS 80 Ca 0.18 0.69 0.05 0.00 -0.36 0.00 0.00 55.97 56.54 2g1e s LYS 80 Cb -0.05 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2g1e s LYS 80 CO 0.63 -0.21 -0.19 0.42 -0.36 0.00 0.00 175.35 175.64 2g1e s ILE 81 N 1.76 1.58 -0.10 5.43 1.01 0.65 -0.03 121.20 131.50 2g1e s ILE 81 Ca -0.05 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2g1e s ILE 81 Cb -0.11 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.10 0.45 -0.18 -1.81 0.00 0.00 0.00 174.94 173.31 2g1e s ASP 82 N -0.17 3.65 -0.28 3.58 1.01 -0.35 -1.75 116.67 122.35 2g1e s ASP 82 Ca 0.00 -0.39 -0.04 0.00 0.71 0.00 0.00 52.55 52.83 2g1e s ASP 82 Cb -0.11 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.55 2g1e s ASP 82 CO 0.01 0.21 0.02 -0.76 0.21 0.00 0.00 175.17 174.86 2g1e s LEU 83 N 0.08 3.66 0.09 1.23 1.43 -0.92 -2.11 118.68 122.13 2g1e s LEU 83 Ca -0.08 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.21 2g1e s LEU 83 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2g1e s LEU 83 CO 0.05 -0.19 -0.24 -0.36 0.23 0.00 0.00 176.35 175.84 2g1e s PHE 84 N 1.39 2.06 0.23 0.29 0.08 -1.04 -1.83 117.98 119.16 2g1e s PHE 84 Ca 0.00 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.36 2g1e s PHE 84 Cb -0.18 -1.17 -0.09 0.00 -0.57 0.00 0.00 43.02 41.01 2g1e s PHE 84 CO -0.01 0.20 1.28 -1.25 -0.10 0.00 0.00 175.22 175.35 2g1e s PRO 85 N -1.65 4.42 0.45 0.24 0.04 -1.26 -3.53 135.00 133.71 2g1e s PRO 85 Ca 0.10 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 2g1e s PRO 85 Cb -0.10 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 2g1e s PRO 85 CO 0.04 -0.18 1.17 -1.25 0.04 0.00 0.00 177.00 176.82 2g1e s PRO 86 N -0.59 3.80 0.57 0.56 0.04 -1.26 -4.78 135.00 133.35 2g1e s PRO 86 Ca 0.54 1.79 0.27 0.00 0.04 0.00 0.00 61.00 63.64 2g1e s PRO 86 Cb -0.36 -2.45 1.55 0.00 0.04 0.00 0.00 34.50 33.28 2g1e s PRO 86 CO 0.41 -0.52 2.06 -0.39 0.04 0.00 0.00 177.00 178.60 2g1e h VAL 87 N 1.95 0.54 -0.73 -0.36 -1.51 -1.95 0.20 116.25 114.39 2g1e h VAL 87 Ca -0.49 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 64.70 2g1e h VAL 87 Cb 1.25 0.80 -0.17 0.00 -2.13 0.00 0.00 31.29 31.04 2g1e h VAL 87 CO 0.61 0.00 0.36 0.00 -1.23 0.00 0.00 177.57 177.30 2g1e n ALA 88 N -2.41 4.65 -3.26 5.19 0.00 -1.26 -4.58 120.51 118.84 2g1e n ALA 88 Ca 0.04 -2.21 -0.25 0.00 0.00 0.00 0.00 53.44 51.02 2g1e n ALA 88 Cb 0.41 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.37 3.55 0.79 0.00 0.00 0.71 -4.85 105.19 105.01 2g1e n GLY 89 Ca 0.42 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.59 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93