#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 1.91 -0.05 3.17 -7.23 0.77 -4.82 120.40 114.15 2g1e s VAL 2 Ca 0.00 -0.98 -0.18 0.00 -1.81 0.00 0.00 61.98 59.01 2g1e s VAL 2 Cb 0.00 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 2g1e s VAL 2 CO 0.00 0.53 0.49 0.42 -0.31 0.00 0.00 175.10 176.23 2g1e s THR 3 N -0.09 5.06 0.00 5.32 -4.23 -0.55 -0.59 115.64 120.56 2g1e s THR 3 Ca -0.04 1.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.54 2g1e s THR 3 Cb -0.13 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 69.86 2g1e s THR 3 CO 0.04 0.42 -0.23 0.54 -0.54 0.00 0.00 174.62 174.85 2g1e s VAL 4 N -0.09 1.87 0.08 2.29 0.11 0.15 -0.12 120.40 124.68 2g1e s VAL 4 Ca 0.27 -1.10 0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2g1e s VAL 4 Cb -0.16 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2g1e s VAL 4 CO 0.13 0.44 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.65 2g1e s ARG 5 N -0.77 2.22 -0.13 1.54 6.06 0.87 -2.22 118.95 126.52 2g1e s ARG 5 Ca 0.09 -0.96 0.02 0.00 -2.50 0.00 0.00 55.73 52.38 2g1e s ARG 5 Cb -0.09 -2.35 0.01 0.00 0.06 0.00 0.00 34.95 32.58 2g1e s ARG 5 CO 0.00 0.53 -0.19 0.71 -2.50 0.00 0.00 175.30 173.84 2g1e s TYR 6 N -1.18 2.41 0.00 5.12 2.02 -0.98 -1.61 117.35 123.14 2g1e s TYR 6 Ca 0.21 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.71 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 0.13 -0.57 0.00 0.66 -1.57 0.00 0.00 175.55 174.20 2g1e n TYR 7 N 4.13 0.00 0.00 2.71 4.01 -0.75 -4.68 117.16 122.58 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 -2.07 0.00 0.43 -0.72 0.00 -1.19 -4.69 120.51 112.26 2g1e n ALA 8 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2g1e n ALA 8 Cb 0.29 0.00 0.24 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.33 0.96 0.12 0.00 -2.24 -1.26 -2.36 114.28 109.16 2g1e n THR 9 Ca 0.00 0.24 0.01 0.00 -2.27 0.00 0.00 64.05 62.03 2g1e n THR 9 Cb 0.00 -1.07 0.33 0.00 -2.10 0.00 0.00 70.33 67.49 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 0.20 0.16 3.22 5.85 -1.96 -2.85 115.31 119.94 2g1e h LEU 10 Ca 0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2g1e h LEU 10 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2g1e h LEU 10 CO 0.00 0.46 -0.43 0.03 -0.34 0.00 0.00 178.44 178.17 2g1e h ARG 11 N 0.19 -0.63 0.00 1.25 3.08 -1.74 0.69 114.38 117.22 2g1e h ARG 11 Ca 0.03 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2g1e h ARG 11 Cb 0.55 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2g1e h ARG 11 CO 0.04 -0.42 0.00 -0.35 -1.07 0.00 0.00 179.97 178.17 2g1e n PRO 12 N -4.89 0.11 -0.01 0.04 -0.04 -1.21 -0.23 135.00 128.77 2g1e n PRO 12 Ca -0.07 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2g1e n PRO 12 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.91 0.00 0.52 2.04 -0.93 -3.37 117.51 116.68 2g1e h ILE 13 Ca 0.00 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.11 2g1e h ILE 13 Cb 0.19 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2g1e h ILE 13 CO 0.00 0.53 -1.28 0.35 0.00 0.00 0.00 178.15 177.75 2g1e n THR 14 N -3.08 0.00 -2.24 -0.27 -2.24 0.10 -4.99 114.28 101.55 2g1e n THR 14 Ca -0.16 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.18 2g1e n THR 14 Cb 1.04 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.76 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2g1e n LYS 15 N -1.75 -1.38 -4.33 -0.78 4.81 0.68 -4.97 118.16 110.43 2g1e n LYS 15 Ca -0.01 0.88 -0.21 0.00 -0.87 0.00 0.00 58.31 58.11 2g1e n LYS 15 Cb 0.33 -5.33 -0.08 0.00 0.02 0.00 0.00 35.03 29.97 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 -4.72 1.83 -0.06 1.64 3.01 -1.22 -5.06 119.74 115.15 2g1e s LYS 16 Ca 0.00 -2.08 -0.06 0.00 -1.01 0.00 0.00 55.97 52.82 2g1e s LYS 16 Cb 0.00 0.18 -0.04 0.00 -1.01 0.00 0.00 37.83 36.97 2g1e s LYS 16 CO 0.00 -0.65 -0.14 1.17 0.51 0.00 0.00 175.35 176.24 2g1e n LYS 17 N -0.70 0.22 -3.97 1.68 4.81 -1.26 -4.75 118.16 114.20 2g1e n LYS 17 Ca 0.06 0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.49 2g1e n LYS 17 Cb 0.62 -0.88 -0.12 0.00 0.02 0.00 0.00 35.03 34.67 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2g1e s GLU 18 N -2.29 0.26 0.11 1.64 -6.30 -1.26 -2.31 118.70 108.55 2g1e s GLU 18 Ca -0.13 -0.46 -0.04 0.00 -2.50 0.00 0.00 54.97 51.83 2g1e s GLU 18 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 34.13 34.17 2g1e s GLU 18 CO 0.18 -0.02 0.12 -1.21 0.02 0.00 0.00 175.26 174.35 2g1e s GLU 19 N -1.08 0.89 0.12 4.30 0.41 -0.94 -4.98 118.70 117.42 2g1e s GLU 19 Ca -0.11 -1.22 0.07 0.00 -0.41 0.00 0.00 54.97 53.29 2g1e s GLU 19 Cb -0.07 0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.52 2g1e s GLU 19 CO -0.01 -0.27 -0.06 0.95 -0.49 0.00 0.00 175.26 175.39 2g1e s THR 20 N -3.96 3.57 0.15 3.63 -4.23 -1.26 -0.68 115.64 112.86 2g1e s THR 20 Ca 0.14 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2g1e s THR 20 Cb 0.06 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 2g1e s THR 20 CO -0.04 0.07 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.75 2g1e s PHE 21 N -1.34 1.09 -0.02 3.99 0.08 0.24 -4.91 117.98 117.11 2g1e s PHE 21 Ca 0.24 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 56.26 2g1e s PHE 21 Cb -0.11 -0.62 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 2g1e s PHE 21 CO 0.16 -0.25 -0.04 1.21 -0.10 0.00 0.00 175.22 176.19 2g1e s ASN 22 N -3.13 0.66 0.00 1.36 3.84 -1.26 -0.16 114.94 116.25 2g1e s ASN 22 Ca 0.21 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 53.19 2g1e s ASN 22 Cb 0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 41.25 40.58 2g1e s ASN 22 CO 0.02 0.01 0.00 0.61 -2.79 0.00 0.00 177.10 174.95 2g1e n GLY 23 N 3.39 0.97 3.24 1.21 0.00 -1.26 -5.06 105.19 107.68 2g1e n GLY 23 Ca -0.18 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 2.98 0.00 -0.61 1.01 -1.26 -4.92 121.20 116.40 2g1e s ILE 24 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2g1e s ILE 24 Cb 0.00 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2g1e s ILE 24 CO 0.00 0.34 0.30 -1.20 0.00 0.00 0.00 174.94 174.38 2g1e n SER 25 N 4.72 0.59 -4.13 3.58 7.64 -1.26 -4.83 113.62 119.94 2g1e n SER 25 Ca -0.18 -0.90 -0.12 0.00 1.01 0.00 0.00 58.87 58.68 2g1e n SER 25 Cb 0.49 0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.69 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 -0.11 0.72 0.14 1.43 -0.14 -1.26 -3.46 119.74 117.06 2g1e s LYS 26 Ca 0.00 -1.08 -0.11 0.00 -1.36 0.00 0.00 55.97 53.42 2g1e s LYS 26 Cb 0.00 -0.30 -0.05 0.00 -1.68 0.00 0.00 37.83 35.81 2g1e s LYS 26 CO 0.00 0.03 1.47 0.82 -0.76 0.00 0.00 175.35 176.91 2g1e h ILE 27 N 3.66 1.27 -0.01 2.17 1.08 -1.26 -2.15 117.51 122.26 2g1e h ILE 27 Ca -0.36 -1.57 0.03 0.00 -0.39 0.00 0.00 64.86 62.57 2g1e h ILE 27 Cb 1.18 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.28 2g1e h ILE 27 CO 0.53 0.53 -0.24 0.77 -0.69 0.00 0.00 178.15 179.05 2g1e h SER 28 N 0.77 -0.71 0.34 1.72 4.64 -1.66 0.86 113.55 119.51 2g1e h SER 28 Ca 0.06 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 2g1e h SER 28 Cb 1.00 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 2g1e h SER 28 CO 0.10 -0.30 -0.34 1.05 -0.87 0.00 0.00 176.83 176.47 2g1e h GLU 29 N -0.36 0.00 0.07 4.77 4.11 -1.85 -2.81 114.58 118.51 2g1e h GLU 29 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.49 2g1e h GLU 29 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2g1e h GLU 29 CO -0.22 0.34 -0.03 1.25 0.07 0.00 0.00 179.01 180.41 2g1e h LEU 30 N 0.00 -0.07 -0.09 3.06 7.12 -0.59 -2.17 115.31 122.56 2g1e h LEU 30 Ca -0.00 -0.26 0.03 0.00 0.13 0.00 0.00 57.88 57.78 2g1e h LEU 30 Cb 0.60 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 2g1e h LEU 30 CO 0.04 0.22 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.41 2g1e h LEU 31 N -0.37 -0.29 -1.62 2.25 -0.00 -0.78 -1.38 115.31 113.13 2g1e h LEU 31 Ca -0.01 0.06 0.11 0.00 -0.00 0.00 0.00 57.88 58.04 2g1e h LEU 31 Cb 0.33 0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 2g1e h LEU 31 CO 0.01 -0.13 0.43 -0.33 -0.00 0.00 0.00 178.44 178.42 2g1e h GLU 32 N -0.11 0.41 -0.02 1.13 4.39 -1.51 0.59 114.58 119.46 2g1e h GLU 32 Ca 0.07 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 2g1e h GLU 32 Cb 0.21 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2g1e h GLU 32 CO -0.16 0.27 -0.47 -0.09 -1.16 0.00 0.00 179.01 177.40 2g1e h ARG 33 N 0.42 0.04 0.12 2.33 2.43 -0.60 -2.58 114.38 116.54 2g1e h ARG 33 Ca 0.30 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 2g1e h ARG 33 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 2g1e h ARG 33 CO -0.09 0.51 -0.06 -0.07 -1.51 0.00 0.00 179.97 178.75 2g1e h LEU 34 N 0.03 -0.14 -1.40 3.80 3.38 -0.14 0.26 115.31 121.10 2g1e h LEU 34 Ca -0.00 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.68 2g1e h LEU 34 Cb 0.85 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2g1e h LEU 34 CO 0.06 0.25 0.42 0.11 0.09 0.00 0.00 178.44 179.37 2g1e h LYS 35 N -0.55 0.79 0.12 1.13 1.57 -1.47 0.25 116.57 118.41 2g1e h LYS 35 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2g1e h LYS 35 Cb 0.44 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2g1e h LYS 35 CO 0.03 0.52 -0.06 0.28 -0.57 0.00 0.00 179.45 179.65 2g1e h VAL 36 N 0.81 0.90 -0.05 0.50 2.07 -1.40 0.26 116.25 119.35 2g1e h VAL 36 Ca 0.24 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.48 2g1e h VAL 36 Cb -0.03 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2g1e h VAL 36 CO -0.06 0.26 -0.06 -0.08 0.02 0.00 0.00 177.57 177.65 2g1e h GLU 37 N -0.89 -0.08 0.00 1.57 4.81 -0.36 -2.28 114.58 117.35 2g1e h GLU 37 Ca -0.02 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 2g1e h GLU 37 Cb 0.54 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2g1e h GLU 37 CO 0.03 -0.05 -0.36 1.88 -0.73 0.00 0.00 179.01 179.77 2g1e h TYR 38 N -0.08 0.00 0.00 0.92 0.05 -0.64 -3.50 116.97 113.73 2g1e h TYR 38 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2g1e h TYR 38 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 2g1e h TYR 38 CO -0.15 0.36 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 2g1e n GLY 39 N 0.52 -1.82 0.13 3.88 0.00 0.91 -4.28 105.19 104.54 2g1e n GLY 39 Ca 0.01 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.25 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 0.09 -0.95 1.61 0.02 -1.89 -3.19 113.55 109.25 2g1e h SER 40 Ca 0.00 -0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.09 2g1e h SER 40 Cb 0.00 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.40 2g1e h SER 40 CO 0.00 0.76 0.53 -0.08 -1.14 0.00 0.00 176.83 176.90 2g1e h GLU 41 N 0.05 0.61 0.18 3.45 4.57 -1.91 0.25 114.58 121.77 2g1e h GLU 41 Ca -0.01 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2g1e h GLU 41 Cb 1.23 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2g1e h GLU 41 CO 0.10 0.40 -0.08 0.35 -1.18 0.00 0.00 179.01 178.59 2g1e h PHE 42 N 0.63 -0.22 -0.92 0.92 3.57 -1.73 0.25 116.94 119.43 2g1e h PHE 42 Ca 0.57 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.15 2g1e h PHE 42 Cb 0.95 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 2g1e h PHE 42 CO -0.05 0.16 0.57 1.15 -2.23 0.00 0.00 178.31 177.91 2g1e h THR 43 N -0.66 0.98 -0.04 4.41 2.02 -1.40 0.85 112.91 119.07 2g1e h THR 43 Ca -0.02 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2g1e h THR 43 Cb 0.48 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2g1e h THR 43 CO 0.04 0.18 -0.21 0.11 0.37 0.00 0.00 175.52 176.00 2g1e h LYS 44 N 0.98 0.22 0.00 6.66 1.57 -0.54 0.26 116.57 125.72 2g1e h LYS 44 Ca 0.43 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2g1e h LYS 44 Cb 0.31 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2g1e h LYS 44 CO -0.22 0.83 -0.01 1.96 -0.57 0.00 0.00 179.45 181.45 2g1e h GLN 45 N -0.33 0.00 0.01 3.15 1.08 -0.10 -2.30 115.11 116.62 2g1e h GLN 45 Ca -0.01 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.82 2g1e h GLN 45 Cb 0.87 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.24 2g1e h GLN 45 CO 0.04 0.01 -2.30 -1.33 -0.95 0.00 0.00 178.83 174.30 2g1e n MET 46 N -3.19 0.68 -2.10 1.46 2.81 0.26 -4.87 117.12 112.17 2g1e n MET 46 Ca -0.03 0.10 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 2g1e n MET 46 Cb 0.11 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.52 1.94 -0.54 2.03 1.51 0.91 -4.74 117.35 115.95 2g1e s TYR 47 Ca -0.18 0.65 0.03 0.00 -1.01 0.00 0.00 57.07 56.57 2g1e s TYR 47 Cb 0.07 -4.18 0.13 0.00 -0.11 0.00 0.00 41.96 37.88 2g1e s TYR 47 CO 0.76 -2.58 0.29 0.34 -1.11 0.00 0.00 175.55 173.24 2g1e s ASP 48 N 5.84 4.43 0.00 2.29 -1.08 -1.26 -4.87 116.67 122.02 2g1e s ASP 48 Ca 0.72 -3.02 0.00 0.00 -0.52 0.00 0.00 52.55 49.73 2g1e s ASP 48 Cb -0.18 -1.67 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 2g1e s ASP 48 CO 0.31 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.37 2g1e n GLY 49 N 3.12 1.92 1.42 2.66 0.00 -1.26 -4.79 105.19 108.26 2g1e n GLY 49 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.13 0.24 -4.63 1.61 4.13 -1.26 -5.12 115.26 110.36 2g1e n ASN 50 Ca 0.00 0.12 -0.24 0.00 1.68 0.00 0.00 54.58 56.14 2g1e n ASN 50 Cb 0.00 -0.01 -0.08 0.00 -1.54 0.00 0.00 39.78 38.15 2g1e n ASN 50 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2g1e s ASN 51 N -5.01 4.29 0.12 6.41 -0.87 -1.26 -5.05 114.94 113.57 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 -1.57 0.00 0.00 52.86 50.43 2g1e s ASN 51 Cb 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 41.25 40.61 2g1e s ASN 51 CO 0.00 -0.14 0.00 -0.11 -2.57 0.00 0.00 177.10 174.28 2g1e n LEU 52 N -0.93 -0.01 0.05 0.60 -0.00 -1.26 -4.52 117.00 110.93 2g1e n LEU 52 Ca -0.05 0.20 0.19 0.00 -0.00 0.00 0.00 56.01 56.35 2g1e n LEU 52 Cb 0.61 0.14 0.71 0.00 -0.00 0.00 0.00 43.42 44.88 2g1e n LEU 52 CO 0.42 -0.59 1.17 0.15 -0.00 0.00 0.00 177.39 178.54 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.95 0.56 116.94 121.08 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 0.07 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2g1e h PHE 53 CO 0.00 0.00 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.84 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 3.64 -2.01 -2.80 116.57 116.51 2g1e h LYS 54 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2g1e h LYS 54 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2g1e h LYS 54 CO -0.00 0.02 -0.57 0.09 -2.27 0.00 0.00 179.45 176.72 2g1e n ASN 55 N -3.17 1.97 -4.56 4.20 3.02 0.10 -5.05 115.26 111.78 2g1e n ASN 55 Ca -0.01 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.80 2g1e n ASN 55 Cb 0.19 1.06 0.01 0.00 -0.61 0.00 0.00 39.78 40.42 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 -1.30 2.24 -4.06 2.41 3.14 0.16 -4.52 118.33 116.39 2g1e n VAL 56 Ca 0.00 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.56 2g1e n VAL 56 Cb 0.06 -0.94 -0.16 0.00 -1.06 0.00 0.00 33.84 31.74 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 -1.31 1.91 -0.06 1.55 2.07 -1.25 -4.97 121.20 119.15 2g1e s ILE 57 Ca 0.63 -1.06 0.05 0.00 -1.41 0.00 0.00 60.65 58.86 2g1e s ILE 57 Cb -0.59 -1.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.13 2g1e s ILE 57 CO 0.57 0.32 -0.23 0.27 -1.91 0.00 0.00 174.94 173.96 2g1e s ILE 58 N 1.30 1.89 -0.24 2.00 -0.00 -1.26 -2.43 121.20 122.47 2g1e s ILE 58 Ca 0.00 -0.97 -0.09 0.00 -0.00 0.00 0.00 60.65 59.60 2g1e s ILE 58 Cb -0.15 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.66 2g1e s ILE 58 CO -0.10 0.53 0.11 -0.76 -0.00 0.00 0.00 174.94 174.72 2g1e s LEU 59 N -0.03 3.80 -0.20 0.37 1.43 -0.85 -3.87 118.68 119.33 2g1e s LEU 59 Ca -0.06 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2g1e s LEU 59 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2g1e s LEU 59 CO 0.04 0.04 0.08 0.54 0.23 0.00 0.00 176.35 177.28 2g1e s VAL 60 N 1.19 4.83 -1.07 -1.59 0.11 0.42 -1.16 120.40 123.13 2g1e s VAL 60 Ca 0.06 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.05 2g1e s VAL 60 Cb -0.14 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.54 2g1e s VAL 60 CO 0.05 0.42 0.23 -3.20 -3.33 0.00 0.00 175.10 169.26 2g1e n ASN 61 N 3.92 -3.57 -1.98 3.54 5.15 0.85 -1.84 115.26 121.31 2g1e n ASN 61 Ca -0.16 -0.05 -0.05 0.00 -0.60 0.00 0.00 54.58 53.72 2g1e n ASN 61 Cb 0.52 -3.01 0.03 0.00 -0.53 0.00 0.00 39.78 36.78 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 -0.95 0.22 3.61 8.20 0.00 -1.26 -5.03 105.19 109.98 2g1e n GLY 62 Ca -0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.23 -0.21 0.10 1.61 2.47 -0.77 -5.14 114.94 109.76 2g1e s ASN 63 Ca 0.10 0.25 -0.30 0.00 0.42 0.00 0.00 52.86 53.33 2g1e s ASN 63 Cb -0.01 0.20 -0.06 0.00 -1.45 0.00 0.00 41.25 39.93 2g1e s ASN 63 CO 0.24 -0.18 1.08 0.21 -3.72 0.00 0.00 177.10 174.73 2g1e s ASN 64 N -0.93 7.28 0.21 -4.21 3.84 -1.26 -0.44 114.94 119.43 2g1e s ASN 64 Ca 0.04 1.93 0.09 0.00 0.21 0.00 0.00 52.86 55.13 2g1e s ASN 64 Cb -0.01 -2.59 0.12 0.00 -0.55 0.00 0.00 41.25 38.23 2g1e s ASN 64 CO -0.04 -0.27 1.47 0.16 -2.79 0.00 0.00 177.10 175.63 2g1e h ILE 65 N 4.22 1.52 -0.39 -5.21 3.07 -1.83 -3.15 117.51 115.73 2g1e h ILE 65 Ca -0.43 -2.65 0.11 0.00 1.55 0.00 0.00 64.86 63.45 2g1e h ILE 65 Cb 1.21 2.44 -0.02 0.00 -0.27 0.00 0.00 36.82 40.19 2g1e h ILE 65 CO 0.75 0.75 0.39 0.71 -1.05 0.00 0.00 178.15 179.70 2g1e h THR 66 N 0.00 0.45 -0.75 0.16 1.35 -1.89 0.23 112.91 112.46 2g1e h THR 66 Ca -0.01 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.44 2g1e h THR 66 Cb 1.38 0.69 -0.23 0.00 -1.73 0.00 0.00 68.15 68.26 2g1e h THR 66 CO 0.10 0.00 0.53 -0.24 -0.25 0.00 0.00 175.52 175.66 2g1e n SER 67 N -3.84 4.36 0.00 5.36 2.88 -1.19 -4.69 113.62 116.50 2g1e n SER 67 Ca 0.07 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.35 2g1e n SER 67 Cb 0.57 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -0.64 0.00 -4.37 -1.46 0.00 0.62 -5.06 117.12 106.21 2g1e n MET 68 Ca 0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.97 2g1e n MET 68 Cb 1.21 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.33 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 1.42 0.00 2.12 2.47 -0.06 -5.08 119.74 120.61 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 -0.48 0.02 0.18 5.54 0.00 -1.26 -3.89 105.19 105.30 2g1e n GLY 70 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.21 0.99 -0.00 -1.98 -3.21 115.31 109.90 2g1e h LEU 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2g1e h LEU 71 CO 0.00 0.04 0.00 0.47 -0.00 0.00 0.00 178.44 178.95 2g1e n ASP 72 N -2.95 1.77 -4.72 0.17 8.00 -1.26 -2.13 116.55 115.42 2g1e n ASP 72 Ca 0.02 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 2g1e n ASP 72 Cb 0.55 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 2.20 0.35 -3.53 2.01 -1.21 -4.87 115.64 109.03 2g1e s THR 73 Ca 0.22 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2g1e s THR 73 Cb 0.12 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2g1e s THR 73 CO 0.15 0.01 0.38 -1.61 -0.69 0.00 0.00 174.62 172.87 2g1e s GLU 74 N 1.17 2.83 0.13 4.92 2.02 -1.26 -1.00 118.70 127.51 2g1e s GLU 74 Ca 0.73 -1.24 0.07 0.00 0.02 0.00 0.00 54.97 54.56 2g1e s GLU 74 Cb -0.48 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 2g1e s GLU 74 CO 0.32 0.01 -0.06 0.42 0.02 0.00 0.00 175.26 175.97 2g1e s ILE 75 N -2.29 3.55 0.88 -1.63 1.01 -1.22 -4.91 121.20 116.59 2g1e s ILE 75 Ca 0.44 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 2g1e s ILE 75 Cb -0.07 -2.71 0.14 0.00 0.01 0.00 0.00 42.46 39.83 2g1e s ILE 75 CO 0.29 0.03 1.24 -0.54 0.00 0.00 0.00 174.94 175.95 2g1e s LYS 76 N -2.50 1.27 0.57 2.79 -0.14 -1.26 -4.88 119.74 115.58 2g1e s LYS 76 Ca 0.24 -0.24 0.28 0.00 -1.36 0.00 0.00 55.97 54.90 2g1e s LYS 76 Cb -0.10 -1.93 1.48 0.00 -1.68 0.00 0.00 37.83 35.60 2g1e s LYS 76 CO 0.16 -2.00 1.94 0.22 -0.76 0.00 0.00 175.35 174.91 2g1e h ASP 77 N -1.32 0.00 -0.61 2.83 3.58 -2.02 -0.30 116.42 118.58 2g1e h ASP 77 Ca -0.45 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.03 2g1e h ASP 77 Cb 1.28 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.29 2g1e h ASP 77 CO 0.50 0.00 0.37 0.44 -2.88 0.00 0.00 179.24 177.67 2g1e h ASP 78 N 0.00 0.61 -4.91 2.28 5.19 -1.98 -3.48 116.42 114.13 2g1e h ASP 78 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2g1e h ASP 78 Cb 1.15 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.53 2g1e h ASP 78 CO -0.00 0.42 -0.36 0.47 -3.12 0.00 0.00 179.24 176.65 2g1e n ASP 79 N -4.73 -6.95 -3.68 6.45 8.00 -0.12 -4.80 116.55 110.72 2g1e n ASP 79 Ca 0.06 0.38 -0.12 0.00 0.71 0.00 0.00 54.79 55.82 2g1e n ASP 79 Cb 0.08 -4.66 -0.12 0.00 -0.02 0.00 0.00 41.12 36.40 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 -2.43 0.22 -0.01 -1.24 2.20 -1.26 -1.49 119.74 115.73 2g1e s LYS 80 Ca 0.18 0.75 0.06 0.00 -0.36 0.00 0.00 55.97 56.60 2g1e s LYS 80 Cb -0.05 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.26 2g1e s LYS 80 CO 0.64 -0.24 -0.20 0.42 -0.36 0.00 0.00 175.35 175.61 2g1e s ILE 81 N 2.05 1.58 -0.07 5.43 1.01 0.82 -0.11 121.20 131.91 2g1e s ILE 81 Ca -0.03 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.79 2g1e s ILE 81 Cb -0.11 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 2g1e s ILE 81 CO -0.10 0.44 -0.21 -1.81 0.00 0.00 0.00 174.94 173.27 2g1e s ASP 82 N -0.49 3.43 -0.30 3.58 1.11 -0.31 -0.09 116.67 123.60 2g1e s ASP 82 Ca 0.08 -0.42 -0.06 0.00 0.18 0.00 0.00 52.55 52.32 2g1e s ASP 82 Cb -0.08 -1.05 0.01 0.00 1.07 0.00 0.00 42.92 42.88 2g1e s ASP 82 CO -0.01 0.24 0.07 -0.76 1.18 0.00 0.00 175.17 175.89 2g1e s LEU 83 N -0.12 3.86 0.10 1.23 2.01 -0.63 -2.01 118.68 123.12 2g1e s LEU 83 Ca -0.04 -0.78 0.10 0.00 0.01 0.00 0.00 54.13 53.42 2g1e s LEU 83 Cb -0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 46.19 44.16 2g1e s LEU 83 CO 0.04 -0.21 -0.26 -0.36 1.01 0.00 0.00 176.35 176.57 2g1e s PHE 84 N 1.47 2.33 0.06 0.29 0.40 -1.02 -1.81 117.98 119.70 2g1e s PHE 84 Ca 0.02 -0.38 -0.31 0.00 -0.60 0.00 0.00 56.93 55.66 2g1e s PHE 84 Cb -0.17 -1.31 -0.07 0.00 0.51 0.00 0.00 43.02 41.98 2g1e s PHE 84 CO 0.02 0.27 1.40 -1.25 0.70 0.00 0.00 175.22 176.35 2g1e s PRO 85 N -1.77 4.30 1.02 0.24 0.04 -1.26 -3.75 135.00 133.83 2g1e s PRO 85 Ca 0.13 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 2g1e s PRO 85 Cb -0.10 -3.41 0.20 0.00 0.04 0.00 0.00 34.50 31.23 2g1e s PRO 85 CO 0.05 -0.50 1.09 -1.25 0.04 0.00 0.00 177.00 176.43 2g1e s PRO 86 N 1.74 0.23 0.11 0.56 0.04 -1.26 -4.70 135.00 131.72 2g1e s PRO 86 Ca 0.64 0.45 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 2g1e s PRO 86 Cb -0.34 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2g1e s PRO 86 CO 0.29 -2.85 1.58 0.28 0.04 0.00 0.00 177.00 176.34 2g1e h VAL 87 N -1.98 0.12 0.00 -0.36 2.07 -1.93 0.52 116.25 114.69 2g1e h VAL 87 Ca -0.55 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 2g1e h VAL 87 Cb 1.33 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2g1e h VAL 87 CO 0.57 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.99 2g1e h ALA 88 N -0.20 1.24 -0.06 1.67 0.00 -1.93 -2.63 119.26 117.35 2g1e h ALA 88 Ca 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2g1e h ALA 88 Cb 0.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2g1e h ALA 88 CO -0.28 0.21 -0.57 0.78 0.00 0.00 0.00 179.25 179.39 2g1e h GLY 89 N 1.13 0.20 0.00 0.00 0.00 -1.47 -3.44 103.07 99.49 2g1e h GLY 89 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2g1e h GLY 89 CO 0.02 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.38