#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 1.95 -0.36 3.17 -7.23 0.90 -4.88 120.40 113.95 2g1e s VAL 2 Ca 0.00 -0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2g1e s VAL 2 Cb 0.00 -1.67 -0.00 0.00 0.56 0.00 0.00 36.38 35.27 2g1e s VAL 2 CO 0.00 0.54 0.37 -0.89 -0.31 0.00 0.00 175.10 174.81 2g1e s THR 3 N 0.11 5.16 0.05 5.32 2.01 -0.94 -0.59 115.64 126.75 2g1e s THR 3 Ca -0.11 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2g1e s THR 3 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2g1e s THR 3 CO 0.06 -0.16 0.07 -0.69 -0.69 0.00 0.00 174.62 173.21 2g1e s VAL 4 N 2.03 4.56 0.12 3.82 1.01 -0.48 -2.18 120.40 129.29 2g1e s VAL 4 Ca 0.12 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2g1e s VAL 4 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2g1e s VAL 4 CO 0.12 0.22 -0.08 -0.60 0.00 0.00 0.00 175.10 174.76 2g1e s ARG 5 N -2.12 2.18 -0.15 2.72 3.52 0.96 -2.53 118.95 123.53 2g1e s ARG 5 Ca 0.26 -1.06 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 2g1e s ARG 5 Cb -0.12 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.98 2g1e s ARG 5 CO 0.19 0.49 -0.20 0.71 -0.81 0.00 0.00 175.30 175.68 2g1e s TYR 6 N -1.36 2.61 0.00 5.12 2.02 -1.02 -2.16 117.35 122.56 2g1e s TYR 6 Ca 0.23 -1.42 0.00 0.00 -0.37 0.00 0.00 57.07 55.51 2g1e s TYR 6 Cb -0.11 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2g1e s TYR 6 CO 0.15 -0.68 0.00 0.66 -1.57 0.00 0.00 175.55 174.11 2g1e n TYR 7 N 4.35 0.00 0.00 2.71 4.01 -0.86 -4.68 117.16 122.70 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 0.51 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 -1.95 0.00 0.34 -0.72 0.00 -1.09 -4.72 120.51 112.37 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 0.32 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.38 1.19 0.13 0.00 -2.24 -1.26 -2.24 114.28 109.48 2g1e n THR 9 Ca 0.00 0.30 0.01 0.00 -2.27 0.00 0.00 64.05 62.09 2g1e n THR 9 Cb 0.00 -1.15 0.35 0.00 -2.10 0.00 0.00 70.33 67.43 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 0.17 0.20 3.22 5.85 -1.95 -2.81 115.31 120.00 2g1e h LEU 10 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2g1e h LEU 10 Cb 0.12 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2g1e h LEU 10 CO 0.00 0.43 -0.43 0.03 -0.34 0.00 0.00 178.44 178.13 2g1e h ARG 11 N 0.15 -0.66 0.00 1.25 2.47 -1.71 0.15 114.38 116.03 2g1e h ARG 11 Ca 0.02 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2g1e h ARG 11 Cb 0.54 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2g1e h ARG 11 CO 0.04 -0.44 0.00 -0.35 0.56 0.00 0.00 179.97 179.78 2g1e n PRO 12 N -4.91 0.07 -0.02 0.04 -0.04 -1.21 -0.06 135.00 128.87 2g1e n PRO 12 Ca -0.08 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 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 0.87 -0.00 0.52 2.04 -0.95 -3.37 117.51 116.62 2g1e h ILE 13 Ca 0.00 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.15 2g1e h ILE 13 Cb 0.21 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2g1e h ILE 13 CO 0.00 0.51 -0.60 0.41 0.00 0.00 0.00 178.15 178.47 2g1e n THR 14 N -3.07 0.00 -2.79 -0.27 -1.04 0.40 -4.99 114.28 102.52 2g1e n THR 14 Ca -0.17 -0.20 -0.21 0.00 -2.04 0.00 0.00 64.05 61.43 2g1e n THR 14 Cb 1.05 1.01 0.01 0.00 -1.82 0.00 0.00 70.33 70.58 2g1e n THR 14 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2g1e n LYS 15 N -1.26 -3.46 -4.07 -2.82 4.01 0.91 -4.97 118.16 106.50 2g1e n LYS 15 Ca 0.03 0.88 -0.09 0.00 -0.51 0.00 0.00 58.31 58.62 2g1e n LYS 15 Cb 0.20 -5.64 -0.09 0.00 -0.51 0.00 0.00 35.03 28.99 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2g1e s LYS 16 N -5.45 0.82 -0.18 1.97 1.02 -1.19 -5.05 119.74 111.67 2g1e s LYS 16 Ca 0.18 -1.27 0.07 0.00 0.02 0.00 0.00 55.97 54.97 2g1e s LYS 16 Cb -0.08 0.26 -0.16 0.00 -0.52 0.00 0.00 37.83 37.32 2g1e s LYS 16 CO 0.23 -0.22 -0.08 1.63 -0.92 0.00 0.00 175.35 175.98 2g1e n LYS 17 N -0.03 0.89 -3.69 1.68 4.76 -1.26 -4.66 118.16 115.86 2g1e n LYS 17 Ca -0.10 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 2g1e n LYS 17 Cb 0.62 -1.41 -0.08 0.00 -1.84 0.00 0.00 35.03 32.32 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2g1e s GLU 18 N -2.40 0.68 0.13 1.97 2.12 -1.26 -2.44 118.70 117.49 2g1e s GLU 18 Ca -0.19 0.42 -0.09 0.00 0.36 0.00 0.00 54.97 55.47 2g1e s GLU 18 Cb 0.06 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 2g1e s GLU 18 CO 0.55 -0.14 0.23 -2.00 -0.54 0.00 0.00 175.26 173.36 2g1e s GLU 19 N -0.35 0.99 0.09 4.30 2.56 -1.05 -5.02 118.70 120.23 2g1e s GLU 19 Ca -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 54.97 53.90 2g1e s GLU 19 Cb -0.03 0.36 -0.04 0.00 2.00 0.00 0.00 34.13 36.41 2g1e s GLU 19 CO 0.03 -0.34 -0.02 0.95 -0.56 0.00 0.00 175.26 175.32 2g1e s THR 20 N -3.92 3.88 0.14 -1.70 -4.23 -1.26 -1.38 115.64 107.17 2g1e s THR 20 Ca 0.11 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2g1e s THR 20 Cb 0.04 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 2g1e s THR 20 CO -0.05 0.14 0.01 -0.36 -0.54 0.00 0.00 174.62 173.81 2g1e s PHE 21 N -1.27 0.98 -0.03 3.99 0.08 0.24 -4.92 117.98 117.05 2g1e s PHE 21 Ca 0.24 -1.08 -0.05 0.00 0.12 0.00 0.00 56.93 56.16 2g1e s PHE 21 Cb -0.12 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.78 2g1e s PHE 21 CO 0.17 -0.32 0.12 0.54 -0.10 0.00 0.00 175.22 175.63 2g1e s ASN 22 N -3.09 -0.07 0.00 1.36 2.20 -1.26 -0.07 114.94 114.01 2g1e s ASN 22 Ca 0.21 0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 2g1e s ASN 22 Cb 0.07 0.24 0.00 0.00 -2.00 0.00 0.00 41.25 39.56 2g1e s ASN 22 CO 0.01 -0.15 0.00 0.61 -2.94 0.00 0.00 177.10 174.62 2g1e n GLY 23 N 2.49 3.06 3.62 0.45 0.00 -1.26 -5.06 105.19 108.49 2g1e n GLY 23 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.69 5.14 -0.01 -0.61 1.01 -1.26 -4.90 121.20 117.89 2g1e s ILE 24 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2g1e s ILE 24 Cb 0.00 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 2g1e s ILE 24 CO 0.00 0.15 0.01 -0.24 0.00 0.00 0.00 174.94 174.86 2g1e n SER 25 N 5.26 0.93 -4.31 3.58 2.88 -1.26 -4.92 113.62 115.79 2g1e n SER 25 Ca -0.07 -0.41 -0.21 0.00 -1.33 0.00 0.00 58.87 56.85 2g1e n SER 25 Cb 0.50 1.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.86 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 -1.22 1.21 0.16 -1.46 -0.14 -1.26 -3.38 119.74 113.66 2g1e s LYS 26 Ca 0.00 -1.36 -0.12 0.00 -1.36 0.00 0.00 55.97 53.13 2g1e s LYS 26 Cb 0.00 -1.23 0.03 0.00 -1.68 0.00 0.00 37.83 34.95 2g1e s LYS 26 CO 0.01 0.25 1.61 0.82 -0.76 0.00 0.00 175.35 177.28 2g1e h ILE 27 N 3.33 1.26 -0.11 2.17 1.08 -1.46 -2.21 117.51 121.57 2g1e h ILE 27 Ca -0.42 -1.09 0.04 0.00 -0.39 0.00 0.00 64.86 63.01 2g1e h ILE 27 Cb 1.20 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.83 2g1e h ILE 27 CO 0.51 0.38 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.82 2g1e h SER 28 N 0.79 -0.76 0.22 1.72 0.87 -1.71 0.11 113.55 114.79 2g1e h SER 28 Ca 0.15 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2g1e h SER 28 Cb 0.52 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 2g1e h SER 28 CO 0.03 -0.30 -0.22 -0.33 -0.53 0.00 0.00 176.83 175.48 2g1e h GLU 29 N -0.33 0.00 -0.03 2.24 4.39 -1.85 -2.71 114.58 116.30 2g1e h GLU 29 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 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 -0.29 0.22 -0.01 1.25 -1.16 0.00 0.00 179.01 179.01 2g1e h LEU 30 N 0.00 0.05 -0.97 1.33 7.12 -0.49 0.62 115.31 122.97 2g1e h LEU 30 Ca -0.00 -0.37 0.06 0.00 0.13 0.00 0.00 57.88 57.70 2g1e h LEU 30 Cb 0.38 -0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.43 2g1e h LEU 30 CO 0.03 0.41 0.63 -0.07 -0.13 0.00 0.00 178.44 179.30 2g1e h LEU 31 N -0.30 1.00 -0.42 2.25 -0.00 -0.66 0.10 115.31 117.29 2g1e h LEU 31 Ca 0.01 0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.72 2g1e h LEU 31 Cb 0.38 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2g1e h LEU 31 CO 0.00 0.64 -0.74 1.05 -0.00 0.00 0.00 178.44 179.40 2g1e h GLU 32 N 1.14 0.34 0.05 1.13 4.11 -1.43 -2.58 114.58 117.35 2g1e h GLU 32 Ca 0.42 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2g1e h GLU 32 Cb 0.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2g1e h GLU 32 CO -0.17 0.94 -0.02 0.00 0.07 0.00 0.00 179.01 179.82 2g1e h ARG 33 N 0.23 -0.06 0.08 1.06 -0.00 0.05 -2.55 114.38 113.19 2g1e h ARG 33 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 2g1e h ARG 33 Cb 1.31 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.29 2g1e h ARG 33 CO 0.12 0.32 -0.09 -0.07 0.00 0.00 0.00 179.97 180.25 2g1e h LEU 34 N -0.45 -0.23 -1.19 3.04 4.07 -0.90 0.18 115.31 119.83 2g1e h LEU 34 Ca -0.01 0.02 0.18 0.00 0.08 0.00 0.00 57.88 58.16 2g1e h LEU 34 Cb 0.41 0.08 -0.09 0.00 1.08 0.00 0.00 40.66 42.14 2g1e h LEU 34 CO 0.01 -0.13 0.61 0.50 -1.08 0.00 0.00 178.44 178.35 2g1e h LYS 35 N -0.19 0.65 0.13 1.13 3.64 -1.51 0.23 116.57 120.65 2g1e h LYS 35 Ca 0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2g1e h LYS 35 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2g1e h LYS 35 CO -0.03 0.43 -0.06 0.28 -2.27 0.00 0.00 179.45 177.80 2g1e h VAL 36 N 0.67 0.85 -0.47 2.00 2.07 -0.97 -1.45 116.25 118.95 2g1e h VAL 36 Ca 0.53 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.88 2g1e h VAL 36 Cb 0.93 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 2g1e h VAL 36 CO -0.29 0.24 0.03 -0.33 0.02 0.00 0.00 177.57 177.24 2g1e h GLU 37 N -0.90 0.14 0.00 1.57 4.39 -0.17 0.83 114.58 120.45 2g1e h GLU 37 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2g1e h GLU 37 Cb 0.52 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2g1e h GLU 37 CO 0.03 0.09 -0.11 1.88 -1.16 0.00 0.00 179.01 179.75 2g1e h TYR 38 N 0.15 0.00 0.00 4.33 0.05 -0.67 -3.49 116.97 117.33 2g1e h TYR 38 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2g1e h TYR 38 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2g1e h TYR 38 CO -0.28 0.11 0.00 0.41 -1.05 0.00 0.00 178.16 177.35 2g1e n GLY 39 N 0.18 -1.89 0.13 3.88 0.00 0.28 -4.24 105.19 103.54 2g1e n GLY 39 Ca 0.01 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.88 1.61 0.02 -1.86 -3.19 113.55 109.25 2g1e h SER 40 Ca 0.00 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.15 2g1e h SER 40 Cb 0.00 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.42 2g1e h SER 40 CO 0.00 0.64 0.40 -0.08 -1.14 0.00 0.00 176.83 176.64 2g1e h GLU 41 N 0.00 0.44 -0.03 3.45 4.57 -1.92 0.25 114.58 121.33 2g1e h GLU 41 Ca -0.01 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.91 2g1e h GLU 41 Cb 1.16 -0.10 0.02 0.00 -0.16 0.00 0.00 28.75 29.67 2g1e h GLU 41 CO 0.08 0.29 -0.91 0.35 -1.18 0.00 0.00 179.01 177.65 2g1e h PHE 42 N 0.45 0.97 -0.21 0.92 3.57 -1.73 -1.50 116.94 119.43 2g1e h PHE 42 Ca 0.53 -0.51 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2g1e h PHE 42 Cb 0.95 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2g1e h PHE 42 CO -0.13 1.34 0.10 1.15 -2.23 0.00 0.00 178.31 178.54 2g1e h THR 43 N 0.33 0.99 -0.27 4.41 2.02 -1.09 -1.07 112.91 118.22 2g1e h THR 43 Ca -0.10 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 66.84 2g1e h THR 43 Cb 1.57 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2g1e h THR 43 CO 0.18 0.04 -0.48 0.11 0.37 0.00 0.00 175.52 175.74 2g1e h LYS 44 N 0.21 0.81 0.00 6.66 1.79 -0.68 0.33 116.57 125.68 2g1e h LYS 44 Ca 0.09 -0.50 -0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2g1e h LYS 44 Cb 0.03 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2g1e h LYS 44 CO -0.07 1.13 -0.00 1.96 -1.08 0.00 0.00 179.45 181.39 2g1e h GLN 45 N 0.57 0.00 0.00 3.15 1.08 -1.05 -2.48 115.11 116.38 2g1e h GLN 45 Ca 0.02 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.90 2g1e h GLN 45 Cb 1.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.45 2g1e h GLN 45 CO 0.11 0.00 -2.19 -1.33 -0.95 0.00 0.00 178.83 174.47 2g1e n MET 46 N -3.15 1.05 -1.93 1.46 2.81 -0.43 -4.53 117.12 112.40 2g1e n MET 46 Ca -0.03 0.02 -0.38 0.00 -1.81 0.00 0.00 57.70 55.51 2g1e n MET 46 Cb 0.11 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 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 -2.42 1.53 -0.53 2.03 1.51 0.11 -4.02 117.35 115.56 2g1e s TYR 47 Ca -0.13 0.96 0.03 0.00 -1.01 0.00 0.00 57.07 56.92 2g1e s TYR 47 Cb 0.06 -3.98 0.13 0.00 -0.11 0.00 0.00 41.96 38.06 2g1e s TYR 47 CO 0.65 -2.36 0.28 -0.51 -1.11 0.00 0.00 175.55 172.51 2g1e s ASP 48 N 9.02 4.40 0.00 2.29 1.11 -1.23 -4.88 116.67 127.38 2g1e s ASP 48 Ca 0.74 -3.02 0.00 0.00 0.18 0.00 0.00 52.55 50.45 2g1e s ASP 48 Cb -0.14 -1.66 0.00 0.00 1.07 0.00 0.00 42.92 42.19 2g1e s ASP 48 CO 0.22 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 176.94 2g1e n GLY 49 N 3.12 0.24 0.15 0.21 0.00 -1.26 -4.66 105.19 102.99 2g1e n GLY 49 Ca 0.05 -1.24 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 1.89 -4.64 1.61 3.02 -1.26 -5.05 115.26 110.83 2g1e n ASN 50 Ca 0.00 0.32 -0.24 0.00 -0.03 0.00 0.00 54.58 54.63 2g1e n ASN 50 Cb 0.00 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.38 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 -5.93 4.32 0.04 6.41 0.01 -1.26 -5.07 114.94 113.47 2g1e s ASN 51 Ca -0.27 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 2g1e s ASN 51 Cb 0.04 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.07 2g1e s ASN 51 CO 0.40 -0.17 0.00 -0.11 -1.51 0.00 0.00 177.10 175.72 2g1e n LEU 52 N -0.95 0.45 -0.01 0.60 7.94 -1.26 -4.51 117.00 119.26 2g1e n LEU 52 Ca -0.05 0.06 0.20 0.00 -1.11 0.00 0.00 56.01 55.11 2g1e n LEU 52 Cb 0.61 -0.13 0.67 0.00 0.53 0.00 0.00 43.42 45.10 2g1e n LEU 52 CO 0.42 -0.31 1.18 0.15 -1.11 0.00 0.00 177.39 177.72 2g1e h PHE 53 N 0.00 0.04 0.00 1.96 3.04 -1.95 0.50 116.94 120.53 2g1e h PHE 53 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2g1e h PHE 53 Cb 0.59 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.08 2g1e h PHE 53 CO 0.00 0.02 0.00 1.57 -2.02 0.00 0.00 178.31 177.88 2g1e h LYS 54 N 0.03 0.00 0.00 1.11 2.10 -1.99 -2.86 116.57 114.96 2g1e h LYS 54 Ca 0.26 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.90 2g1e h LYS 54 Cb 0.98 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.31 2g1e h LYS 54 CO -0.01 0.00 -1.04 0.09 -2.00 0.00 0.00 179.45 176.49 2g1e n ASN 55 N -2.56 4.82 -4.53 7.07 4.13 0.11 -5.05 115.26 119.25 2g1e n ASN 55 Ca -0.01 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.82 2g1e n ASN 55 Cb 0.11 0.75 -0.00 0.00 -1.54 0.00 0.00 39.78 39.10 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 -1.80 2.01 -3.89 2.41 3.14 0.13 -4.54 118.33 115.78 2g1e n VAL 56 Ca -0.01 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.58 2g1e n VAL 56 Cb 0.30 -0.76 -0.16 0.00 -1.06 0.00 0.00 33.84 32.16 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 -1.24 1.30 -0.05 1.55 2.07 -1.26 -4.96 121.20 118.62 2g1e s ILE 57 Ca 0.62 -1.09 0.06 0.00 -1.41 0.00 0.00 60.65 58.82 2g1e s ILE 57 Cb -0.67 -1.63 -0.01 0.00 0.13 0.00 0.00 42.46 40.28 2g1e s ILE 57 CO 0.58 -0.15 -0.23 0.27 -1.91 0.00 0.00 174.94 173.50 2g1e s ILE 58 N 1.50 1.91 -0.24 2.00 -0.00 -1.26 -2.48 121.20 122.61 2g1e s ILE 58 Ca -0.04 -0.99 -0.09 0.00 -0.00 0.00 0.00 60.65 59.52 2g1e s ILE 58 Cb -0.18 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.63 2g1e s ILE 58 CO -0.07 0.53 0.12 -0.76 -0.00 0.00 0.00 174.94 174.77 2g1e s LEU 59 N -0.21 3.81 -0.14 0.37 1.43 -0.96 -3.88 118.68 119.10 2g1e s LEU 59 Ca -0.01 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2g1e s LEU 59 Cb -0.12 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 2g1e s LEU 59 CO 0.02 0.02 0.31 0.54 0.23 0.00 0.00 176.35 177.47 2g1e s VAL 60 N 1.33 5.28 -1.85 -1.59 0.11 0.89 -2.08 120.40 122.48 2g1e s VAL 60 Ca 0.06 0.59 -0.22 0.00 -2.93 0.00 0.00 61.98 59.48 2g1e s VAL 60 Cb -0.15 -3.64 0.22 0.00 -1.53 0.00 0.00 36.38 31.28 2g1e s VAL 60 CO 0.06 0.42 0.59 -0.46 -3.33 0.00 0.00 175.10 172.38 2g1e n ASN 61 N 3.32 -1.87 -2.52 3.54 0.23 -0.06 -0.83 115.26 117.07 2g1e n ASN 61 Ca -0.12 -1.22 -0.09 0.00 -0.53 0.00 0.00 54.58 52.61 2g1e n ASN 61 Cb 0.52 -1.73 0.04 0.00 -2.08 0.00 0.00 39.78 36.53 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g1e n GLY 62 N -1.17 -0.26 3.65 4.83 0.00 -1.26 -5.00 105.19 105.98 2g1e n GLY 62 Ca 0.09 0.16 -0.01 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 -3.36 -0.04 0.23 1.61 2.47 -0.01 -5.14 114.94 110.69 2g1e s ASN 63 Ca 0.21 0.08 -0.31 0.00 0.42 0.00 0.00 52.86 53.26 2g1e s ASN 63 Cb -0.03 0.35 -0.10 0.00 -1.45 0.00 0.00 41.25 40.02 2g1e s ASN 63 CO 0.44 -0.01 1.54 0.54 -3.72 0.00 0.00 177.10 175.89 2g1e s ASN 64 N 0.31 6.55 0.32 -4.21 2.20 -1.26 -0.08 114.94 118.77 2g1e s ASN 64 Ca 0.03 2.72 0.16 0.00 -0.94 0.00 0.00 52.86 54.84 2g1e s ASN 64 Cb -0.04 -2.61 0.38 0.00 -2.00 0.00 0.00 41.25 36.97 2g1e s ASN 64 CO -0.14 -0.81 1.59 0.16 -2.94 0.00 0.00 177.10 174.96 2g1e h ILE 65 N 3.70 0.95 -0.40 0.54 3.07 -1.83 -3.15 117.51 120.38 2g1e h ILE 65 Ca -0.45 -1.94 0.12 0.00 1.55 0.00 0.00 64.86 64.14 2g1e h ILE 65 Cb 1.21 2.19 -0.02 0.00 -0.27 0.00 0.00 36.82 39.93 2g1e h ILE 65 CO 0.84 0.46 0.38 0.71 -1.05 0.00 0.00 178.15 179.50 2g1e h THR 66 N 0.00 0.47 -0.73 0.16 1.35 -1.89 0.66 112.91 112.93 2g1e h THR 66 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.39 2g1e h THR 66 Cb 1.15 0.70 -0.22 0.00 -1.73 0.00 0.00 68.15 68.06 2g1e h THR 66 CO 0.06 0.00 0.60 -0.24 -0.25 0.00 0.00 175.52 175.70 2g1e n SER 67 N -3.88 6.22 0.00 5.36 2.88 -1.19 -4.68 113.62 118.33 2g1e n SER 67 Ca 0.07 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 2g1e n SER 67 Cb 0.56 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.38 0.00 -4.37 -1.46 0.00 0.08 -5.06 117.12 105.93 2g1e n MET 68 Ca 0.46 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.97 2g1e n MET 68 Cb 0.80 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.92 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 1.41 0.00 2.12 2.47 -0.33 -5.07 119.74 120.34 2g1e s LYS 69 Ca 0.00 -1.71 0.00 0.00 -1.56 0.00 0.00 55.97 52.70 2g1e s LYS 69 Cb 0.00 -0.85 0.00 0.00 -1.46 0.00 0.00 37.83 35.52 2g1e s LYS 69 CO 0.00 -0.03 0.00 0.41 0.16 0.00 0.00 175.35 175.89 2g1e n GLY 70 N -0.47 -0.20 0.12 5.54 0.00 -1.26 -3.94 105.19 104.97 2g1e n GLY 70 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.20 0.99 8.10 -1.98 -3.28 115.31 117.95 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 0.28 0.00 -0.67 -4.11 0.00 0.00 178.44 173.94 2g1e n ASP 72 N -2.88 1.74 -4.74 0.17 2.03 -1.26 -2.42 116.55 109.19 2g1e n ASP 72 Ca -0.03 -1.99 -0.42 0.00 0.52 0.00 0.00 54.79 52.88 2g1e n ASP 72 Cb 0.68 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 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 -1.57 2.22 0.22 5.18 2.01 -1.24 -4.89 115.64 117.57 2g1e s THR 73 Ca 0.22 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.48 2g1e s THR 73 Cb 0.12 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 2g1e s THR 73 CO 0.15 0.03 0.11 -0.70 -0.69 0.00 0.00 174.62 173.52 2g1e s GLU 74 N -0.13 2.70 0.14 4.92 2.12 -1.26 -1.44 118.70 125.74 2g1e s GLU 74 Ca 0.64 -1.10 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 2g1e s GLU 74 Cb -0.47 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 2g1e s GLU 74 CO 0.44 0.42 0.34 0.42 -0.54 0.00 0.00 175.26 176.34 2g1e s ILE 75 N -2.03 5.22 0.80 -3.70 1.01 -1.22 -4.93 121.20 116.36 2g1e s ILE 75 Ca 0.31 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 2g1e s ILE 75 Cb -0.08 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.87 2g1e s ILE 75 CO 0.22 0.02 1.11 -0.54 0.00 0.00 0.00 174.94 175.76 2g1e s LYS 76 N -2.75 1.55 0.58 2.79 -0.14 -1.26 -4.91 119.74 115.60 2g1e s LYS 76 Ca 0.39 -0.51 0.29 0.00 -1.36 0.00 0.00 55.97 54.78 2g1e s LYS 76 Cb -0.12 -2.10 1.49 0.00 -1.68 0.00 0.00 37.83 35.42 2g1e s LYS 76 CO 0.26 -1.68 1.94 0.22 -0.76 0.00 0.00 175.35 175.32 2g1e h ASP 77 N -0.93 0.00 -0.52 2.83 3.58 -2.01 -0.44 116.42 118.93 2g1e h ASP 77 Ca -0.42 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.05 2g1e h ASP 77 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.29 2g1e h ASP 77 CO 0.48 0.00 0.31 0.44 -2.88 0.00 0.00 179.24 177.59 2g1e h ASP 78 N 0.00 0.51 -4.89 2.28 3.32 -1.97 -3.48 116.42 112.19 2g1e h ASP 78 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2g1e h ASP 78 Cb 1.10 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2g1e h ASP 78 CO -0.00 0.36 -0.21 0.47 -1.72 0.00 0.00 179.24 178.13 2g1e n ASP 79 N -4.79 -6.80 -3.71 6.45 8.00 -0.17 -4.85 116.55 110.68 2g1e n ASP 79 Ca 0.04 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.62 2g1e n ASP 79 Cb 0.07 -4.56 -0.12 0.00 -0.02 0.00 0.00 41.12 36.49 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 -2.64 0.27 -0.01 -1.24 2.20 -1.26 -2.22 119.74 114.83 2g1e s LYS 80 Ca 0.11 0.66 0.06 0.00 -0.36 0.00 0.00 55.97 56.44 2g1e s LYS 80 Cb -0.03 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2g1e s LYS 80 CO 0.62 -0.18 -0.20 0.42 -0.36 0.00 0.00 175.35 175.65 2g1e s ILE 81 N 1.48 1.61 -0.08 5.43 1.01 -0.93 -0.88 121.20 128.85 2g1e s ILE 81 Ca -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2g1e s ILE 81 Cb -0.10 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2g1e s ILE 81 CO -0.10 0.44 -0.24 -1.81 0.00 0.00 0.00 174.94 173.22 2g1e s ASP 82 N -0.53 3.05 -0.29 3.58 1.01 -0.89 -0.03 116.67 122.58 2g1e s ASP 82 Ca 0.08 -0.53 -0.05 0.00 0.71 0.00 0.00 52.55 52.76 2g1e s ASP 82 Cb -0.08 -1.08 0.02 0.00 1.01 0.00 0.00 42.92 42.79 2g1e s ASP 82 CO -0.01 0.21 0.05 -0.76 0.21 0.00 0.00 175.17 174.87 2g1e s LEU 83 N 0.06 3.76 0.08 1.23 2.01 -0.92 -2.27 118.68 122.62 2g1e s LEU 83 Ca -0.10 -0.81 0.07 0.00 0.01 0.00 0.00 54.13 53.29 2g1e s LEU 83 Cb -0.16 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.18 2g1e s LEU 83 CO 0.06 -0.19 -0.13 -0.36 1.01 0.00 0.00 176.35 176.74 2g1e s PHE 84 N 1.44 2.69 -0.30 0.29 0.40 -1.04 -2.02 117.98 119.45 2g1e s PHE 84 Ca 0.01 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 2g1e s PHE 84 Cb -0.17 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 2g1e s PHE 84 CO 0.01 0.37 1.66 -1.25 0.70 0.00 0.00 175.22 176.72 2g1e s PRO 85 N -1.90 3.57 0.51 0.24 0.04 -1.26 -4.13 135.00 132.06 2g1e s PRO 85 Ca 0.19 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.47 2g1e s PRO 85 Cb -0.11 -4.10 -0.07 0.00 0.04 0.00 0.00 34.50 30.26 2g1e s PRO 85 CO 0.10 -1.57 1.14 -1.25 0.04 0.00 0.00 177.00 175.46 2g1e s PRO 86 N 5.13 3.53 0.54 0.56 0.04 -1.26 -4.90 135.00 138.64 2g1e s PRO 86 Ca 0.74 1.68 0.31 0.00 0.04 0.00 0.00 61.00 63.76 2g1e s PRO 86 Cb -0.22 -2.18 1.47 0.00 0.04 0.00 0.00 34.50 33.61 2g1e s PRO 86 CO 0.32 -0.72 1.90 -0.39 0.04 0.00 0.00 177.00 178.15 2g1e h VAL 87 N 1.49 0.57 -2.00 -0.36 -1.51 -1.94 -1.47 116.25 111.03 2g1e h VAL 87 Ca -0.50 0.00 -0.67 0.00 -1.23 0.00 0.00 66.70 64.31 2g1e h VAL 87 Cb 1.26 0.58 -0.36 0.00 -2.13 0.00 0.00 31.29 30.63 2g1e h VAL 87 CO 0.58 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.91 2g1e n ALA 88 N -2.70 5.42 -2.63 5.19 0.00 -1.26 -4.63 120.51 119.90 2g1e n ALA 88 Ca 0.17 -4.47 -0.03 0.00 0.00 0.00 0.00 53.44 49.11 2g1e n ALA 88 Cb 0.91 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.33 0.04 0.00 0.00 0.00 -0.55 -3.58 105.19 100.77 2g1e n GLY 89 Ca 0.41 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93