#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 -0.04 3.17 -7.23 0.85 -4.84 120.40 114.20 2g1e s VAL 2 Ca 0.00 -0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 59.01 2g1e s VAL 2 Cb 0.00 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 2g1e s VAL 2 CO 0.00 0.53 0.53 0.42 -0.31 0.00 0.00 175.10 176.26 2g1e s THR 3 N -0.11 5.02 -0.01 5.32 -4.23 -0.48 -0.42 115.64 120.72 2g1e s THR 3 Ca -0.04 1.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.63 2g1e s THR 3 Cb -0.13 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 2g1e s THR 3 CO 0.03 0.42 -0.24 0.68 -0.54 0.00 0.00 174.62 174.97 2g1e s VAL 4 N -0.08 1.89 0.10 2.29 -7.23 0.33 -0.08 120.40 117.61 2g1e s VAL 4 Ca 0.28 -1.05 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 2g1e s VAL 4 Cb -0.17 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2g1e s VAL 4 CO 0.14 0.51 -0.10 -0.13 -0.31 0.00 0.00 175.10 175.21 2g1e s ARG 5 N -0.62 2.14 -0.07 4.82 0.52 0.10 -2.35 118.95 123.50 2g1e s ARG 5 Ca 0.09 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.33 2g1e s ARG 5 Cb -0.09 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2g1e s ARG 5 CO -0.01 0.51 -0.18 0.71 0.02 0.00 0.00 175.30 176.36 2g1e s TYR 6 N -1.19 1.92 0.00 -0.53 2.02 -1.13 -1.54 117.35 116.91 2g1e s TYR 6 Ca 0.21 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2g1e s TYR 6 Cb -0.11 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 2g1e s TYR 6 CO 0.13 -0.27 0.00 0.66 -1.57 0.00 0.00 175.55 174.50 2g1e n TYR 7 N 3.42 0.00 0.00 2.71 4.02 -0.69 -4.75 117.16 121.88 2g1e n TYR 7 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2g1e n TYR 7 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2g1e n ALA 8 N -1.86 0.00 0.21 -0.72 0.00 -1.22 -4.67 120.51 112.24 2g1e n ALA 8 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2g1e n ALA 8 Cb 0.17 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.63 1.55 0.08 0.00 -2.24 -1.26 -2.14 114.28 109.64 2g1e n THR 9 Ca 0.00 0.40 0.02 0.00 -2.27 0.00 0.00 64.05 62.21 2g1e n THR 9 Cb 0.00 -1.31 0.39 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.32 0.31 3.22 6.46 -1.95 -2.38 115.31 121.29 2g1e h LEU 10 Ca 0.00 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2g1e h LEU 10 Cb 0.11 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 2g1e h LEU 10 CO 0.00 0.39 -0.39 0.03 -0.62 0.00 0.00 178.44 177.86 2g1e h ARG 11 N 0.33 -0.69 0.00 1.25 3.08 -1.70 -1.34 114.38 115.32 2g1e h ARG 11 Ca 0.08 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2g1e h ARG 11 Cb 0.26 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2g1e h ARG 11 CO 0.01 -0.46 0.00 -0.35 -1.07 0.00 0.00 179.97 178.10 2g1e n PRO 12 N -4.72 0.09 0.08 0.04 -0.04 -1.19 -0.10 135.00 129.16 2g1e n PRO 12 Ca -0.08 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 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 1.22 0.00 0.52 2.04 -0.77 -3.36 117.51 117.16 2g1e h ILE 13 Ca 0.00 -2.84 0.00 0.00 1.00 0.00 0.00 64.86 63.02 2g1e h ILE 13 Cb 0.20 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2g1e h ILE 13 CO 0.00 0.83 -0.71 0.41 0.00 0.00 0.00 178.15 178.68 2g1e n THR 14 N -3.49 0.00 -2.38 -0.27 -1.04 -0.59 -4.99 114.28 101.52 2g1e n THR 14 Ca -0.15 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.48 2g1e n THR 14 Cb 1.04 0.91 -0.00 0.00 -1.82 0.00 0.00 70.33 70.46 2g1e n THR 14 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2g1e n LYS 15 N -1.37 -1.61 -4.58 -2.82 3.00 0.85 -4.99 118.16 106.63 2g1e n LYS 15 Ca 0.02 0.82 -0.28 0.00 -0.00 0.00 0.00 58.31 58.87 2g1e n LYS 15 Cb 0.21 -5.27 -0.08 0.00 0.00 0.00 0.00 35.03 29.90 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2g1e s LYS 16 N -4.91 2.03 0.00 1.64 3.01 -1.18 -5.04 119.74 115.29 2g1e s LYS 16 Ca 0.02 -2.26 0.00 0.00 -1.01 0.00 0.00 55.97 52.72 2g1e s LYS 16 Cb -0.01 -0.82 0.00 0.00 -1.01 0.00 0.00 37.83 35.99 2g1e s LYS 16 CO 0.03 -0.48 0.00 1.63 0.51 0.00 0.00 175.35 177.04 2g1e n LYS 17 N -1.02 0.00 -3.70 1.68 5.02 -1.26 -4.72 118.16 114.15 2g1e n LYS 17 Ca -0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.06 2g1e n LYS 17 Cb 0.65 -0.77 -0.09 0.00 -0.02 0.00 0.00 35.03 34.80 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2g1e s GLU 18 N -1.96 0.64 0.12 1.97 2.12 -1.26 -2.86 118.70 117.47 2g1e s GLU 18 Ca 0.00 0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.63 2g1e s GLU 18 Cb 0.00 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 2g1e s GLU 18 CO 0.00 -0.13 0.17 -1.21 -0.54 0.00 0.00 175.26 173.55 2g1e s GLU 19 N -0.37 0.94 0.22 4.30 0.41 -0.99 -5.00 118.70 118.21 2g1e s GLU 19 Ca -0.05 -1.16 0.08 0.00 -0.41 0.00 0.00 54.97 53.43 2g1e s GLU 19 Cb -0.03 0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.59 2g1e s GLU 19 CO 0.03 -0.30 0.01 0.95 -0.49 0.00 0.00 175.26 175.46 2g1e s THR 20 N -3.94 3.67 0.12 3.63 -4.23 -1.26 -0.51 115.64 113.12 2g1e s THR 20 Ca 0.13 -1.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2g1e s THR 20 Cb 0.05 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 2g1e s THR 20 CO -0.05 -0.23 0.01 -0.36 -0.54 0.00 0.00 174.62 173.45 2g1e s PHE 21 N -1.98 0.87 -0.05 3.99 0.08 0.44 -4.91 117.98 116.42 2g1e s PHE 21 Ca 0.29 -1.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 2g1e s PHE 21 Cb -0.08 -0.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 2g1e s PHE 21 CO 0.19 -0.37 0.11 0.54 -0.10 0.00 0.00 175.22 175.59 2g1e s ASN 22 N -3.05 -0.08 0.00 1.36 4.22 -1.26 -0.10 114.94 116.02 2g1e s ASN 22 Ca 0.19 0.22 0.00 0.00 -2.14 0.00 0.00 52.86 51.13 2g1e s ASN 22 Cb 0.07 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.76 2g1e s ASN 22 CO -0.01 -0.09 0.00 0.61 -2.04 0.00 0.00 177.10 175.57 2g1e n GLY 23 N 3.66 2.68 3.74 0.45 0.00 -1.26 -5.07 105.19 109.39 2g1e n GLY 23 Ca -0.20 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.81 4.43 0.00 -0.61 1.01 -1.26 -4.92 121.20 119.03 2g1e s ILE 24 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 2g1e s ILE 24 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2g1e s ILE 24 CO 0.00 0.37 0.52 -1.20 0.00 0.00 0.00 174.94 174.63 2g1e n SER 25 N 2.47 0.44 -4.19 3.58 7.64 -1.26 -4.88 113.62 117.42 2g1e n SER 25 Ca 0.01 -1.20 -0.14 0.00 1.01 0.00 0.00 58.87 58.55 2g1e n SER 25 Cb 0.49 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 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 -0.20 0.87 0.21 1.43 -0.14 -1.26 -3.64 119.74 117.01 2g1e s LYS 26 Ca 0.00 -1.19 -0.02 0.00 -1.36 0.00 0.00 55.97 53.40 2g1e s LYS 26 Cb 0.00 -0.55 0.18 0.00 -1.68 0.00 0.00 37.83 35.78 2g1e s LYS 26 CO 0.00 0.08 1.57 0.82 -0.76 0.00 0.00 175.35 177.06 2g1e h ILE 27 N 3.48 1.30 0.28 2.17 1.08 -1.45 -2.36 117.51 122.01 2g1e h ILE 27 Ca -0.37 -1.63 -0.01 0.00 -0.39 0.00 0.00 64.86 62.45 2g1e h ILE 27 Cb 1.19 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2g1e h ILE 27 CO 0.54 0.51 -0.13 -1.28 -0.69 0.00 0.00 178.15 177.10 2g1e h SER 28 N 0.46 -0.31 -0.63 1.72 0.87 -1.68 -2.55 113.55 111.43 2g1e h SER 28 Ca 0.03 -0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2g1e h SER 28 Cb 0.95 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 2g1e h SER 28 CO 0.09 -0.05 0.42 -0.33 -0.53 0.00 0.00 176.83 176.43 2g1e h GLU 29 N -0.58 0.78 0.02 2.24 4.39 -1.84 -2.56 114.58 117.02 2g1e h GLU 29 Ca -0.04 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.62 2g1e h GLU 29 Cb 0.42 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2g1e h GLU 29 CO 0.06 0.51 -0.07 1.25 -1.16 0.00 0.00 179.01 179.61 2g1e h LEU 30 N 0.80 -0.18 -0.38 1.33 7.12 -1.27 -2.35 115.31 120.37 2g1e h LEU 30 Ca 0.24 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.34 2g1e h LEU 30 Cb 0.00 0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.16 2g1e h LEU 30 CO -0.06 -0.10 0.08 -0.07 -0.13 0.00 0.00 178.44 178.16 2g1e h LEU 31 N -0.13 0.02 -1.37 2.25 -0.00 -1.06 -1.07 115.31 113.95 2g1e h LEU 31 Ca 0.02 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.12 2g1e h LEU 31 Cb 0.15 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 40.82 2g1e h LEU 31 CO -0.05 0.05 0.57 -0.33 -0.00 0.00 0.00 178.44 178.68 2g1e h GLU 32 N 0.21 0.58 -0.09 1.13 4.39 -1.23 0.15 114.58 119.71 2g1e h GLU 32 Ca 0.18 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 2g1e h GLU 32 Cb 0.21 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2g1e h GLU 32 CO -0.23 0.38 -0.46 0.00 -1.16 0.00 0.00 179.01 177.54 2g1e h ARG 33 N 0.59 0.22 -0.14 2.33 -0.00 -0.68 -2.60 114.38 114.11 2g1e h ARG 33 Ca 0.45 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.98 59.77 2g1e h ARG 33 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.81 2g1e h ARG 33 CO -0.19 0.64 -0.07 -0.07 0.00 0.00 0.00 179.97 180.27 2g1e h LEU 34 N 0.18 0.30 -1.08 3.04 3.38 -0.16 0.27 115.31 121.24 2g1e h LEU 34 Ca 0.01 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2g1e h LEU 34 Cb 0.88 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2g1e h LEU 34 CO 0.07 0.65 0.51 0.50 0.09 0.00 0.00 178.44 180.27 2g1e h LYS 35 N -0.05 1.14 0.15 1.13 3.64 -1.32 0.24 116.57 121.50 2g1e h LYS 35 Ca 0.03 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2g1e h LYS 35 Cb 0.54 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2g1e h LYS 35 CO 0.02 0.80 -0.07 0.28 -2.27 0.00 0.00 179.45 178.21 2g1e h VAL 36 N 1.16 0.55 -0.18 2.00 2.07 -1.41 0.30 116.25 120.75 2g1e h VAL 36 Ca 0.30 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2g1e h VAL 36 Cb -0.05 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2g1e h VAL 36 CO -0.06 0.16 -0.10 -0.33 0.02 0.00 0.00 177.57 177.26 2g1e h GLU 37 N -0.98 -0.09 0.00 1.57 4.39 -0.45 -1.70 114.58 117.33 2g1e h GLU 37 Ca -0.02 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2g1e h GLU 37 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2g1e h GLU 37 CO 0.03 -0.06 -0.18 1.88 -1.16 0.00 0.00 179.01 179.53 2g1e h TYR 38 N -0.09 0.00 0.00 4.33 0.05 -0.65 -3.50 116.97 117.11 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 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2g1e h TYR 38 CO -0.25 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 2g1e n GLY 39 N 0.80 -1.87 0.13 3.88 0.00 0.11 -4.20 105.19 104.04 2g1e n GLY 39 Ca 0.02 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.37 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 0.06 -1.00 1.61 4.64 -1.88 -3.17 113.55 113.80 2g1e h SER 40 Ca 0.00 -0.04 0.22 0.00 -0.47 0.00 0.00 61.79 61.50 2g1e h SER 40 Cb 0.00 -0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 61.97 2g1e h SER 40 CO 0.00 0.73 0.62 -0.08 -0.87 0.00 0.00 176.83 177.23 2g1e h GLU 41 N 0.04 0.60 0.18 4.77 4.81 -1.91 0.27 114.58 123.34 2g1e h GLU 41 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2g1e h GLU 41 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2g1e h GLU 41 CO 0.09 0.40 -0.09 0.35 -0.73 0.00 0.00 179.01 179.03 2g1e h PHE 42 N 0.62 -0.22 -0.96 0.92 3.57 -1.71 0.25 116.94 119.40 2g1e h PHE 42 Ca 0.59 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.14 2g1e h PHE 42 Cb 1.12 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2g1e h PHE 42 CO -0.00 0.16 0.63 1.15 -2.23 0.00 0.00 178.31 178.01 2g1e h THR 43 N -0.67 1.12 -0.06 4.41 2.02 -1.38 -0.57 112.91 117.77 2g1e h THR 43 Ca -0.02 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 2g1e h THR 43 Cb 0.48 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2g1e h THR 43 CO 0.04 0.21 -0.32 0.11 0.37 0.00 0.00 175.52 175.94 2g1e h LYS 44 N 1.16 0.32 0.00 6.66 1.79 -0.51 0.28 116.57 126.27 2g1e h LYS 44 Ca 0.40 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2g1e h LYS 44 Cb 0.09 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2g1e h LYS 44 CO -0.14 0.91 -0.00 1.96 -1.08 0.00 0.00 179.45 181.10 2g1e h GLN 45 N -0.19 0.00 0.00 3.15 1.08 -0.15 -2.33 115.11 116.67 2g1e h GLN 45 Ca -0.02 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.80 2g1e h GLN 45 Cb 0.98 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.34 2g1e h GLN 45 CO 0.07 0.00 -2.39 -0.12 -0.95 0.00 0.00 178.83 175.44 2g1e n MET 46 N -3.17 0.68 -1.94 1.46 1.56 -0.25 -4.87 117.12 110.58 2g1e n MET 46 Ca -0.02 0.05 -0.40 0.00 -0.27 0.00 0.00 57.70 57.05 2g1e n MET 46 Cb 0.11 -1.53 -0.03 0.00 2.15 0.00 0.00 33.22 33.92 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 -2.50 1.63 -0.53 1.12 1.51 0.98 -4.88 117.35 114.67 2g1e s TYR 47 Ca -0.17 0.79 0.03 0.00 -1.01 0.00 0.00 57.07 56.72 2g1e s TYR 47 Cb 0.07 -4.04 0.13 0.00 -0.11 0.00 0.00 41.96 38.02 2g1e s TYR 47 CO 0.76 -2.73 0.28 -0.51 -1.11 0.00 0.00 175.55 172.25 2g1e s ASP 48 N 7.66 4.42 0.00 2.29 1.11 -1.26 -4.89 116.67 126.00 2g1e s ASP 48 Ca 0.78 -3.01 0.00 0.00 0.18 0.00 0.00 52.55 50.51 2g1e s ASP 48 Cb -0.19 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.14 2g1e s ASP 48 CO 0.28 -0.25 0.00 0.61 1.18 0.00 0.00 175.17 177.00 2g1e n GLY 49 N 3.14 1.54 1.18 0.21 0.00 -1.26 -4.75 105.19 105.25 2g1e n GLY 49 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.06 0.89 -4.63 1.61 2.85 -1.26 -5.11 115.26 109.67 2g1e n ASN 50 Ca 0.00 0.19 -0.24 0.00 -0.11 0.00 0.00 54.58 54.42 2g1e n ASN 50 Cb 0.00 -0.22 -0.08 0.00 1.24 0.00 0.00 39.78 40.72 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 -5.82 4.30 0.22 1.20 3.84 -1.26 -5.06 114.94 112.35 2g1e s ASN 51 Ca 0.00 -0.87 0.00 0.00 0.21 0.00 0.00 52.86 52.20 2g1e s ASN 51 Cb 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 41.25 40.07 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 -0.93 0.02 0.02 3.21 -0.00 -1.26 -4.45 117.00 113.60 2g1e n LEU 52 Ca -0.05 0.36 0.20 0.00 -0.00 0.00 0.00 56.01 56.52 2g1e n LEU 52 Cb 0.61 0.25 0.70 0.00 -0.00 0.00 0.00 43.42 44.98 2g1e n LEU 52 CO 0.42 -0.74 1.18 0.15 -0.00 0.00 0.00 177.39 178.40 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.57 -1.94 0.46 116.94 120.98 2g1e h PHE 53 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2g1e h PHE 53 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2g1e h PHE 53 CO 0.00 0.00 -0.03 -0.22 -2.23 0.00 0.00 178.31 175.83 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 3.64 -2.01 -2.75 116.57 116.56 2g1e h LYS 54 Ca 0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2g1e h LYS 54 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2g1e h LYS 54 CO -0.00 0.03 -1.13 0.09 -2.27 0.00 0.00 179.45 176.17 2g1e n ASN 55 N -3.31 3.08 -4.51 4.20 4.13 0.98 -5.04 115.26 114.80 2g1e n ASN 55 Ca -0.02 -0.10 -0.40 0.00 1.68 0.00 0.00 54.58 55.74 2g1e n ASN 55 Cb 0.17 1.24 0.02 0.00 -1.54 0.00 0.00 39.78 39.66 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 -1.63 2.20 -4.07 2.41 3.14 0.12 -4.58 118.33 115.92 2g1e n VAL 56 Ca -0.01 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.55 2g1e n VAL 56 Cb 0.15 -0.77 -0.15 0.00 -1.06 0.00 0.00 33.84 32.01 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 -1.48 2.21 -0.06 1.55 2.07 -1.23 -4.95 121.20 119.30 2g1e s ILE 57 Ca 0.65 -1.41 0.06 0.00 -1.41 0.00 0.00 60.65 58.54 2g1e s ILE 57 Cb -0.54 -2.20 -0.01 0.00 0.13 0.00 0.00 42.46 39.85 2g1e s ILE 57 CO 0.56 0.13 -0.23 0.27 -1.91 0.00 0.00 174.94 173.76 2g1e s ILE 58 N 1.17 1.90 -0.24 2.00 -0.00 -1.26 -2.41 121.20 122.35 2g1e s ILE 58 Ca -0.05 -0.97 -0.09 0.00 -0.00 0.00 0.00 60.65 59.54 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 0.11 -0.76 -0.00 0.00 0.00 174.94 174.75 2g1e s LEU 59 N -0.07 3.79 -0.13 0.37 1.43 -0.96 -3.81 118.68 119.29 2g1e s LEU 59 Ca -0.05 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 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 0.03 0.39 0.54 0.23 0.00 0.00 176.35 177.58 2g1e s VAL 60 N 1.26 5.23 -1.75 -1.59 0.11 0.86 -1.96 120.40 122.56 2g1e s VAL 60 Ca 0.06 0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 59.66 2g1e s VAL 60 Cb -0.14 -3.73 0.21 0.00 -1.53 0.00 0.00 36.38 31.19 2g1e s VAL 60 CO 0.05 0.37 0.59 -0.46 -3.33 0.00 0.00 175.10 172.32 2g1e n ASN 61 N 3.51 -2.01 -2.44 3.54 6.94 0.86 -0.99 115.26 124.66 2g1e n ASN 61 Ca -0.10 -1.10 -0.08 0.00 -0.02 0.00 0.00 54.58 53.28 2g1e n ASN 61 Cb 0.52 -1.74 0.04 0.00 -2.36 0.00 0.00 39.78 36.24 2g1e n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2g1e n GLY 62 N -1.07 -0.19 3.65 4.83 0.00 -1.26 -4.99 105.19 106.16 2g1e n GLY 62 Ca 0.11 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.25 -0.01 0.21 1.61 3.84 -0.16 -5.14 114.94 112.04 2g1e s ASN 63 Ca 0.23 0.02 -0.32 0.00 0.21 0.00 0.00 52.86 53.00 2g1e s ASN 63 Cb -0.03 0.02 -0.12 0.00 -0.55 0.00 0.00 41.25 40.58 2g1e s ASN 63 CO 0.40 -0.00 1.70 0.54 -2.79 0.00 0.00 177.10 176.95 2g1e s ASN 64 N -0.07 6.40 0.27 -4.21 2.20 -1.26 -0.10 114.94 118.16 2g1e s ASN 64 Ca 0.08 2.85 0.13 0.00 -0.94 0.00 0.00 52.86 54.98 2g1e s ASN 64 Cb -0.05 -2.60 0.27 0.00 -2.00 0.00 0.00 41.25 36.87 2g1e s ASN 64 CO -0.16 -0.96 1.54 0.16 -2.94 0.00 0.00 177.10 174.74 2g1e h ILE 65 N 3.80 1.22 -0.24 0.54 3.07 -1.83 -3.13 117.51 120.94 2g1e h ILE 65 Ca -0.43 -2.26 0.07 0.00 1.55 0.00 0.00 64.86 63.79 2g1e h ILE 65 Cb 1.20 2.30 -0.01 0.00 -0.27 0.00 0.00 36.82 40.04 2g1e h ILE 65 CO 0.95 0.60 0.27 0.71 -1.05 0.00 0.00 178.15 179.62 2g1e h THR 66 N 0.00 0.44 0.00 0.16 1.35 -1.88 0.46 112.91 113.43 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 1.25 0.78 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 0.00 0.00 5.36 2.88 -1.18 -4.51 113.62 112.40 2g1e n SER 67 Ca 0.03 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2g1e n SER 67 Cb 0.40 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.36 0.00 -4.48 -1.46 0.00 0.14 -5.15 117.12 104.81 2g1e n MET 68 Ca 0.07 0.00 -0.23 0.00 -0.00 0.00 0.00 57.70 57.54 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 1.75 0.00 2.12 2.47 0.02 -5.06 119.74 121.04 2g1e s LYS 69 Ca 0.00 -2.01 0.00 0.00 -1.56 0.00 0.00 55.97 52.40 2g1e s LYS 69 Cb 0.00 -0.80 0.00 0.00 -1.46 0.00 0.00 37.83 35.57 2g1e s LYS 69 CO 0.00 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.64 2g1e n GLY 70 N -0.77 -0.42 0.02 5.54 0.00 -1.26 -3.58 105.19 104.72 2g1e n GLY 70 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.47 0.00 -0.64 0.99 -0.00 -1.26 -4.27 117.00 109.35 2g1e n LEU 71 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 2g1e n LEU 71 Cb 0.00 0.07 0.15 0.00 -0.00 0.00 0.00 43.42 43.64 2g1e n LEU 71 CO 0.00 0.07 0.63 0.47 -0.00 0.00 0.00 177.39 178.56 2g1e n ASP 72 N -2.21 1.85 -4.77 1.45 8.00 -1.26 -2.19 116.55 117.42 2g1e n ASP 72 Ca -0.07 -2.00 -0.39 0.00 0.71 0.00 0.00 54.79 53.03 2g1e n ASP 72 Cb 0.57 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.54 2.52 0.32 -3.53 2.01 -1.26 -4.89 115.64 109.27 2g1e s THR 73 Ca 0.23 0.45 0.09 0.00 0.31 0.00 0.00 61.69 62.77 2g1e s THR 73 Cb 0.12 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2g1e s THR 73 CO 0.16 0.05 0.10 -1.61 -0.69 0.00 0.00 174.62 172.64 2g1e s GLU 74 N -2.38 2.37 0.08 4.92 8.01 -1.26 -1.49 118.70 128.95 2g1e s GLU 74 Ca 0.59 -1.50 0.01 0.00 0.01 0.00 0.00 54.97 54.09 2g1e s GLU 74 Cb -0.38 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.21 2g1e s GLU 74 CO 0.49 0.19 0.18 0.42 0.01 0.00 0.00 175.26 176.55 2g1e s ILE 75 N -2.39 5.10 0.80 -1.63 1.01 -1.24 -4.90 121.20 117.95 2g1e s ILE 75 Ca 0.36 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2g1e s ILE 75 Cb -0.04 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 39.05 2g1e s ILE 75 CO 0.22 0.10 1.12 -0.54 0.00 0.00 0.00 174.94 175.84 2g1e s LYS 76 N -2.59 1.56 0.56 2.79 -0.14 -1.26 -4.91 119.74 115.76 2g1e s LYS 76 Ca 0.33 -0.46 0.28 0.00 -1.36 0.00 0.00 55.97 54.76 2g1e s LYS 76 Cb -0.12 -2.08 1.48 0.00 -1.68 0.00 0.00 37.83 35.42 2g1e s LYS 76 CO 0.26 -1.69 1.96 0.38 -0.76 0.00 0.00 175.35 175.50 2g1e h ASP 77 N -0.96 0.00 -0.79 2.83 2.03 -2.01 -0.14 116.42 117.39 2g1e h ASP 77 Ca -0.43 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.90 2g1e h ASP 77 Cb 1.28 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.73 2g1e h ASP 77 CO 0.49 0.00 0.51 0.44 -1.03 0.00 0.00 179.24 179.65 2g1e h ASP 78 N 0.00 0.84 -4.97 4.15 5.19 -1.97 -3.48 116.42 116.18 2g1e h ASP 78 Ca 0.24 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2g1e h ASP 78 Cb 1.09 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2g1e h ASP 78 CO -0.00 0.58 -0.12 0.47 -3.12 0.00 0.00 179.24 177.05 2g1e n ASP 79 N -4.59 -6.91 -3.69 6.45 8.00 -0.07 -4.83 116.55 110.91 2g1e n ASP 79 Ca 0.09 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 2g1e n ASP 79 Cb 0.08 -4.64 -0.12 0.00 -0.02 0.00 0.00 41.12 36.42 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 -2.81 0.22 -0.01 -1.24 2.20 -1.26 -1.38 119.74 115.46 2g1e s LYS 80 Ca 0.06 0.73 0.06 0.00 -0.36 0.00 0.00 55.97 56.46 2g1e s LYS 80 Cb -0.02 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.28 2g1e s LYS 80 CO 0.63 -0.22 -0.20 0.42 -0.36 0.00 0.00 175.35 175.62 2g1e s ILE 81 N 1.94 1.61 -0.08 5.43 1.01 0.89 -0.10 121.20 131.88 2g1e s ILE 81 Ca -0.04 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2g1e s ILE 81 Cb -0.11 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 2g1e s ILE 81 CO -0.10 0.45 -0.22 -1.81 0.00 0.00 0.00 174.94 173.26 2g1e s ASP 82 N -0.50 3.34 -0.28 3.58 1.11 -0.83 0.02 116.67 123.11 2g1e s ASP 82 Ca 0.08 -0.46 -0.04 0.00 0.18 0.00 0.00 52.55 52.30 2g1e s ASP 82 Cb -0.08 -1.15 0.02 0.00 1.07 0.00 0.00 42.92 42.79 2g1e s ASP 82 CO -0.01 0.22 0.02 -0.76 1.18 0.00 0.00 175.17 175.82 2g1e s LEU 83 N 0.02 3.68 0.11 1.23 1.43 -0.59 -2.26 118.68 122.30 2g1e s LEU 83 Ca -0.08 -0.88 0.10 0.00 -1.03 0.00 0.00 54.13 52.24 2g1e s LEU 83 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2g1e s LEU 83 CO 0.05 -0.19 -0.26 -0.36 0.23 0.00 0.00 176.35 175.82 2g1e s PHE 84 N 1.40 2.22 0.12 0.29 0.08 -1.01 -1.70 117.98 119.38 2g1e s PHE 84 Ca 0.00 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.35 2g1e s PHE 84 Cb -0.18 -1.23 -0.08 0.00 -0.57 0.00 0.00 43.02 40.96 2g1e s PHE 84 CO -0.00 0.27 1.35 -1.25 -0.10 0.00 0.00 175.22 175.49 2g1e s PRO 85 N -1.84 4.35 1.08 0.24 0.04 -1.26 -3.56 135.00 134.04 2g1e s PRO 85 Ca 0.12 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 2g1e s PRO 85 Cb -0.10 -3.25 0.23 0.00 0.04 0.00 0.00 34.50 31.42 2g1e s PRO 85 CO 0.05 -0.38 1.10 -1.25 0.04 0.00 0.00 177.00 176.55 2g1e s PRO 86 N 0.88 -0.23 0.43 0.56 0.04 -1.26 -4.82 135.00 130.61 2g1e s PRO 86 Ca 0.62 0.29 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 2g1e s PRO 86 Cb -0.36 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2g1e s PRO 86 CO 0.31 -3.12 1.37 0.28 0.04 0.00 0.00 177.00 175.88 2g1e n VAL 87 N -4.41 2.65 -2.39 -0.36 0.31 -1.26 -1.78 118.33 111.09 2g1e n VAL 87 Ca 0.08 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.78 2g1e n VAL 87 Cb 0.58 -1.74 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 2g1e n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2g1e n ALA 88 N -0.17 -0.74 -0.12 3.52 0.00 -1.26 -4.82 120.51 116.92 2g1e n ALA 88 Ca 0.05 0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.43 2g1e n ALA 88 Cb 0.40 -1.53 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.79 -0.42 0.52 0.00 0.00 -0.73 -4.98 105.19 98.79 2g1e n GLY 89 Ca -0.15 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.75 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93