#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 0.63 -0.34 3.17 0.11 0.42 -4.80 120.40 119.59 2g1e s VAL 2 Ca 0.00 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 2g1e s VAL 2 Cb 0.00 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2g1e s VAL 2 CO 0.00 0.24 0.34 -0.89 -3.33 0.00 0.00 175.10 171.45 2g1e s THR 3 N 0.75 5.19 0.01 5.04 2.01 -0.89 -1.25 115.64 126.50 2g1e s THR 3 Ca -0.11 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2g1e s THR 3 Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2g1e s THR 3 CO 0.01 -0.08 0.02 -0.69 -0.69 0.00 0.00 174.62 173.19 2g1e s VAL 4 N 1.95 4.28 0.17 3.82 1.01 -0.38 -2.36 120.40 128.90 2g1e s VAL 4 Ca 0.11 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.56 2g1e s VAL 4 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2g1e s VAL 4 CO 0.11 0.34 -0.04 -0.60 0.00 0.00 0.00 175.10 174.91 2g1e s ARG 5 N -1.69 2.27 -0.12 2.72 3.52 0.55 -2.36 118.95 123.83 2g1e s ARG 5 Ca 0.21 -1.16 0.02 0.00 -0.13 0.00 0.00 55.73 54.67 2g1e s ARG 5 Cb -0.12 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 2g1e s ARG 5 CO 0.12 0.45 -0.19 0.71 -0.81 0.00 0.00 175.30 175.58 2g1e s TYR 6 N -1.70 2.30 0.00 5.12 2.02 -1.20 -2.16 117.35 121.73 2g1e s TYR 6 Ca 0.26 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2g1e s TYR 6 Cb -0.09 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2g1e s TYR 6 CO 0.17 -0.52 0.00 0.66 -1.57 0.00 0.00 175.55 174.29 2g1e n TYR 7 N 4.06 0.00 0.00 2.71 4.01 -0.85 -4.67 117.16 122.42 2g1e n TYR 7 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2g1e n TYR 7 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 2g1e n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g1e n ALA 8 N -2.00 0.00 0.34 -0.72 0.00 -1.07 -4.67 120.51 112.39 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 0.29 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.40 1.18 0.08 0.00 -2.24 -1.26 -2.28 114.28 109.36 2g1e n THR 9 Ca 0.00 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2g1e n THR 9 Cb 0.00 -1.15 0.32 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.30 0.14 3.22 5.85 -1.95 -2.78 115.31 120.10 2g1e h LEU 10 Ca 0.00 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2g1e h LEU 10 Cb 0.12 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2g1e h LEU 10 CO 0.00 0.51 -0.42 0.03 -0.34 0.00 0.00 178.44 178.21 2g1e h ARG 11 N 0.29 -0.61 0.00 1.25 3.08 -1.72 0.15 114.38 116.81 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 0.50 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2g1e h ARG 11 CO 0.03 -0.41 0.00 -0.35 -1.07 0.00 0.00 179.97 178.17 2g1e n PRO 12 N -4.86 0.11 -0.02 0.04 -0.04 -1.21 -0.31 135.00 128.72 2g1e n PRO 12 Ca -0.07 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.49 2g1e n PRO 12 Cb 0.34 -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 -0.89 -0.04 0.00 0.00 175.50 174.57 2g1e n ILE 13 N -1.38 1.61 0.43 0.52 5.41 -0.37 -4.23 119.36 121.35 2g1e n ILE 13 Ca 0.05 -0.79 0.08 0.00 1.00 0.00 0.00 62.75 63.09 2g1e n ILE 13 Cb 0.14 -1.04 -0.10 0.00 -0.71 0.00 0.00 39.64 37.92 2g1e n ILE 13 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2g1e n THR 14 N -3.05 0.00 -2.59 1.39 -2.24 0.38 -4.99 114.28 103.18 2g1e n THR 14 Ca -0.18 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 2g1e n THR 14 Cb 1.06 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 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 -1.66 -2.67 -3.28 -0.78 4.81 0.58 -4.96 118.16 110.20 2g1e n LYS 15 Ca 0.01 0.98 -0.13 0.00 -0.87 0.00 0.00 58.31 58.30 2g1e n LYS 15 Cb 0.32 -5.70 -0.04 0.00 0.02 0.00 0.00 35.03 29.62 2g1e n LYS 15 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2g1e n LYS 16 N -3.32 0.51 -0.00 1.64 5.02 -1.23 -5.06 118.16 115.71 2g1e n LYS 16 Ca -0.21 -1.88 -0.01 0.00 -2.02 0.00 0.00 58.31 54.20 2g1e n LYS 16 Cb 0.67 1.25 -0.00 0.00 -0.02 0.00 0.00 35.03 36.92 2g1e n LYS 16 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2g1e n LYS 17 N -0.44 0.25 -3.67 1.97 2.85 -1.26 -4.80 118.16 113.06 2g1e n LYS 17 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.12 2g1e n LYS 17 Cb 0.34 -1.02 -0.07 0.00 -0.65 0.00 0.00 35.03 33.63 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2g1e s GLU 18 N -2.02 0.83 0.12 -1.58 2.12 -1.26 -3.23 118.70 113.68 2g1e s GLU 18 Ca -0.01 -0.07 -0.07 0.00 0.36 0.00 0.00 54.97 55.18 2g1e s GLU 18 Cb 0.00 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 2g1e s GLU 18 CO 0.02 -0.25 0.18 -2.00 -0.54 0.00 0.00 175.26 172.67 2g1e s GLU 19 N -1.44 0.94 0.20 4.30 2.56 -0.99 -5.02 118.70 119.24 2g1e s GLU 19 Ca -0.12 -1.13 0.10 0.00 0.00 0.00 0.00 54.97 53.83 2g1e s GLU 19 Cb -0.03 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 2g1e s GLU 19 CO 0.05 -0.30 -0.16 0.95 -0.56 0.00 0.00 175.26 175.24 2g1e s THR 20 N -3.93 2.79 0.13 -1.70 -4.23 -1.26 -1.24 115.64 106.20 2g1e s THR 20 Ca 0.12 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 2g1e s THR 20 Cb 0.05 -2.37 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 2g1e s THR 20 CO -0.05 -0.15 0.22 -0.36 -0.54 0.00 0.00 174.62 173.74 2g1e s PHE 21 N -1.78 0.37 0.05 3.99 0.08 -0.38 -4.94 117.98 115.36 2g1e s PHE 21 Ca 0.24 -0.76 0.00 0.00 0.12 0.00 0.00 56.93 56.53 2g1e s PHE 21 Cb -0.08 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.23 2g1e s PHE 21 CO 0.13 -0.64 -0.04 0.54 -0.10 0.00 0.00 175.22 175.11 2g1e s ASN 22 N -2.94 0.57 0.00 1.36 2.20 -1.26 -0.43 114.94 114.43 2g1e s ASN 22 Ca 0.14 -0.75 0.00 0.00 -0.94 0.00 0.00 52.86 51.31 2g1e s ASN 22 Cb 0.04 0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.41 2g1e s ASN 22 CO -0.04 -0.41 0.00 0.61 -2.94 0.00 0.00 177.10 174.33 2g1e n GLY 23 N 0.84 3.13 3.60 0.45 0.00 -1.26 -5.01 105.19 106.95 2g1e n GLY 23 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.19 4.93 -0.02 -0.61 1.01 -1.26 -4.87 121.20 118.19 2g1e s ILE 24 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 60.65 61.59 2g1e s ILE 24 Cb 0.00 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2g1e s ILE 24 CO 0.00 -0.13 0.08 -0.24 0.00 0.00 0.00 174.94 174.65 2g1e n SER 25 N 5.88 3.75 -4.45 3.58 2.88 -1.26 -4.91 113.62 119.09 2g1e n SER 25 Ca -0.01 -0.07 -0.27 0.00 -1.33 0.00 0.00 58.87 57.19 2g1e n SER 25 Cb 0.49 1.13 -0.11 0.00 -0.75 0.00 0.00 64.21 64.96 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 -2.11 1.61 0.14 -1.46 -0.14 -1.26 -3.00 119.74 113.53 2g1e s LYS 26 Ca -0.01 -1.42 -0.14 0.00 -1.36 0.00 0.00 55.97 53.04 2g1e s LYS 26 Cb 0.02 -1.93 0.02 0.00 -1.68 0.00 0.00 37.83 34.26 2g1e s LYS 26 CO 0.13 0.42 1.65 0.82 -0.76 0.00 0.00 175.35 177.62 2g1e h ILE 27 N 3.27 1.23 -0.20 2.17 1.08 -1.50 -2.49 117.51 121.07 2g1e h ILE 27 Ca -0.47 -0.81 0.06 0.00 -0.39 0.00 0.00 64.86 63.24 2g1e h ILE 27 Cb 1.20 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 2g1e h ILE 27 CO 0.47 0.29 -0.25 -1.28 -0.69 0.00 0.00 178.15 176.69 2g1e h SER 28 N 0.63 -0.79 -0.57 1.72 0.87 -1.79 0.66 113.55 114.28 2g1e h SER 28 Ca 0.15 0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2g1e h SER 28 Cb 0.31 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2g1e h SER 28 CO -0.00 -0.29 0.38 -0.33 -0.53 0.00 0.00 176.83 176.06 2g1e h GLU 29 N -0.28 0.74 0.04 2.24 4.39 -1.84 -2.65 114.58 117.23 2g1e h GLU 29 Ca 0.12 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2g1e h GLU 29 Cb 0.47 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2g1e h GLU 29 CO -0.36 0.49 -0.02 1.25 -1.16 0.00 0.00 179.01 179.21 2g1e h LEU 30 N 0.77 -0.04 -0.56 1.33 7.12 -0.66 -2.24 115.31 121.02 2g1e h LEU 30 Ca 0.21 -0.20 0.11 0.00 0.13 0.00 0.00 57.88 58.13 2g1e h LEU 30 Cb -0.07 0.01 -0.09 0.00 -0.53 0.00 0.00 40.66 39.97 2g1e h LEU 30 CO -0.05 0.18 0.03 -0.07 -0.13 0.00 0.00 178.44 178.40 2g1e h LEU 31 N -0.26 -0.19 -1.46 2.25 -0.00 -0.60 0.14 115.31 115.18 2g1e h LEU 31 Ca -0.00 0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2g1e h LEU 31 Cb 0.24 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 2g1e h LEU 31 CO 0.01 -0.07 0.13 -0.33 -0.00 0.00 0.00 178.44 178.18 2g1e h GLU 32 N 0.14 0.49 -0.06 1.13 5.08 -1.41 -1.78 114.58 118.17 2g1e h GLU 32 Ca 0.29 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2g1e h GLU 32 Cb 0.45 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2g1e h GLU 32 CO -0.46 0.42 -0.45 0.00 -1.00 0.00 0.00 179.01 177.52 2g1e h ARG 33 N 0.49 0.14 -0.10 2.33 3.08 -0.16 -2.62 114.38 117.55 2g1e h ARG 33 Ca 0.12 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2g1e h ARG 33 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2g1e h ARG 33 CO -0.01 0.57 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.34 2g1e h LEU 34 N 0.12 0.21 -1.16 3.04 3.38 -0.28 0.26 115.31 120.88 2g1e h LEU 34 Ca 0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2g1e h LEU 34 Cb 0.85 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2g1e h LEU 34 CO 0.07 0.59 0.51 0.50 0.09 0.00 0.00 178.44 180.20 2g1e h LYS 35 N -0.17 1.08 0.13 1.13 3.64 -1.44 0.20 116.57 121.14 2g1e h LYS 35 Ca 0.02 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2g1e h LYS 35 Cb 0.52 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2g1e h LYS 35 CO 0.02 0.73 -0.06 0.28 -2.27 0.00 0.00 179.45 178.15 2g1e h VAL 36 N 1.10 0.71 -0.19 2.00 2.07 -1.41 0.31 116.25 120.84 2g1e h VAL 36 Ca 0.29 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2g1e h VAL 36 Cb -0.09 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2g1e h VAL 36 CO -0.06 0.21 -0.10 -0.08 0.02 0.00 0.00 177.57 177.56 2g1e h GLU 37 N -0.95 -0.08 0.00 1.57 4.57 -0.43 -2.13 114.58 117.12 2g1e h GLU 37 Ca -0.02 0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 2g1e h GLU 37 Cb 0.47 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 2g1e h GLU 37 CO 0.03 -0.05 -0.68 1.88 -1.18 0.00 0.00 179.01 179.00 2g1e h TYR 38 N -0.08 0.00 0.00 0.92 0.05 -0.74 -3.50 116.97 113.61 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 0.68 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 2g1e n GLY 39 N 0.69 -1.75 0.13 3.88 0.00 0.11 -4.42 105.19 103.82 2g1e n GLY 39 Ca -0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 0.07 -0.79 1.61 0.02 -1.89 -3.21 113.55 109.36 2g1e h SER 40 Ca 0.00 -0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.07 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 0.73 0.29 -0.08 -1.14 0.00 0.00 176.83 176.63 2g1e h GLU 41 N 0.04 0.38 -0.10 3.45 4.81 -1.91 0.30 114.58 121.55 2g1e h GLU 41 Ca -0.01 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 2g1e h GLU 41 Cb 1.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2g1e h GLU 41 CO 0.09 0.25 -0.48 0.35 -0.73 0.00 0.00 179.01 178.49 2g1e h PHE 42 N 0.39 0.30 -0.10 0.92 3.57 -1.76 -0.37 116.94 119.90 2g1e h PHE 42 Ca 0.46 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 2g1e h PHE 42 Cb 0.77 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2g1e h PHE 42 CO -0.19 0.69 -0.11 1.15 -2.23 0.00 0.00 178.31 177.63 2g1e h THR 43 N 0.20 1.37 0.00 4.41 2.02 -0.69 -2.13 112.91 118.08 2g1e h THR 43 Ca 0.01 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 65.83 2g1e h THR 43 Cb 0.93 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2g1e h THR 43 CO 0.08 0.36 -0.40 0.07 0.37 0.00 0.00 175.52 176.00 2g1e h LYS 44 N -0.17 0.00 0.00 6.66 2.10 -0.56 0.33 116.57 124.93 2g1e h LYS 44 Ca 0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 2g1e h LYS 44 Cb 0.63 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.96 2g1e h LYS 44 CO 0.03 0.40 -0.03 1.96 -2.00 0.00 0.00 179.45 179.80 2g1e h GLN 45 N 0.00 0.00 0.00 0.07 1.08 -1.02 -3.29 115.11 111.95 2g1e h GLN 45 Ca -0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 2g1e h GLN 45 Cb 0.95 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.32 2g1e h GLN 45 CO 0.05 0.03 -2.17 -0.12 -0.95 0.00 0.00 178.83 175.68 2g1e n MET 46 N -3.11 1.01 -1.55 1.46 1.56 -0.81 -4.90 117.12 110.78 2g1e n MET 46 Ca 0.03 0.04 -0.38 0.00 -0.27 0.00 0.00 57.70 57.12 2g1e n MET 46 Cb 0.48 -1.43 -0.04 0.00 2.15 0.00 0.00 33.22 34.38 2g1e n MET 46 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2g1e n TYR 47 N -2.80 1.43 -3.93 1.12 4.02 0.11 -4.84 117.16 112.27 2g1e n TYR 47 Ca -0.31 0.12 -0.30 0.00 -0.01 0.00 0.00 57.90 57.39 2g1e n TYR 47 Cb 0.99 -2.62 -0.14 0.00 -0.02 0.00 0.00 39.34 37.55 2g1e n TYR 47 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2g1e s ASP 48 N 11.13 4.39 0.00 7.72 -4.77 -1.26 -4.92 116.67 128.94 2g1e s ASP 48 Ca 1.03 -3.02 0.00 0.00 -3.30 0.00 0.00 52.55 47.26 2g1e s ASP 48 Cb -0.34 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.83 2g1e s ASP 48 CO 0.31 -0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.55 2g1e n GLY 49 N 3.11 0.40 0.04 2.12 0.00 -1.26 -4.74 105.19 104.87 2g1e n GLY 49 Ca 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 2g1e n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2g1e h ASN 50 N 0.00 0.00 -1.99 1.61 2.35 -2.02 -3.48 115.58 112.05 2g1e h ASN 50 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2g1e h ASN 50 Cb 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.27 2g1e h ASN 50 CO 0.00 0.41 -0.61 0.20 -1.65 0.00 0.00 177.43 175.78 2g1e s ASN 51 N -4.82 4.32 -0.09 5.81 0.01 -1.26 -5.08 114.94 113.84 2g1e s ASN 51 Ca -0.05 -0.88 -0.09 0.00 -0.71 0.00 0.00 52.86 51.13 2g1e s ASN 51 Cb 0.01 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 2g1e s ASN 51 CO 0.08 -0.18 -0.19 -0.11 -1.51 0.00 0.00 177.10 175.18 2g1e n LEU 52 N -0.96 1.35 -0.01 0.60 7.94 -1.26 -4.43 117.00 120.23 2g1e n LEU 52 Ca -0.04 0.22 0.20 0.00 -1.11 0.00 0.00 56.01 55.28 2g1e n LEU 52 Cb 0.61 -0.50 0.69 0.00 0.53 0.00 0.00 43.42 44.75 2g1e n LEU 52 CO 0.42 -0.17 1.19 0.15 -1.11 0.00 0.00 177.39 177.87 2g1e h PHE 53 N -0.53 0.00 0.00 1.96 3.04 -1.96 0.50 116.94 119.94 2g1e h PHE 53 Ca -0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.80 2g1e h PHE 53 Cb 0.86 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.37 2g1e h PHE 53 CO -0.15 0.00 0.00 1.57 -2.02 0.00 0.00 178.31 177.71 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 2.10 -2.01 -2.95 116.57 114.82 2g1e h LYS 54 Ca 0.26 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.91 2g1e h LYS 54 Cb 1.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.37 2g1e h LYS 54 CO -0.00 0.00 -1.01 0.09 -2.00 0.00 0.00 179.45 176.53 2g1e n ASN 55 N -2.50 4.96 -4.49 7.07 3.02 0.11 -5.06 115.26 118.39 2g1e n ASN 55 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.11 2g1e n ASN 55 Cb 0.11 0.59 -0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.92 1.89 -3.85 2.41 3.14 0.13 -4.45 118.33 115.68 2g1e n VAL 56 Ca -0.00 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.58 2g1e n VAL 56 Cb 0.41 -0.62 -0.16 0.00 -1.06 0.00 0.00 33.84 32.42 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 1.13 -0.04 1.55 1.10 -1.26 -4.95 121.20 117.42 2g1e s ILE 57 Ca 0.62 -1.02 0.06 0.00 -0.51 0.00 0.00 60.65 59.80 2g1e s ILE 57 Cb -0.66 -1.53 -0.01 0.00 0.15 0.00 0.00 42.46 40.41 2g1e s ILE 57 CO 0.58 -0.20 -0.23 0.27 -2.11 0.00 0.00 174.94 173.25 2g1e s ILE 58 N 1.57 1.89 -0.25 2.00 -0.00 -1.26 -2.30 121.20 122.85 2g1e s ILE 58 Ca -0.03 -0.99 -0.09 0.00 -0.00 0.00 0.00 60.65 59.55 2g1e s ILE 58 Cb -0.18 -1.59 -0.04 0.00 -0.00 0.00 0.00 42.46 40.65 2g1e s ILE 58 CO -0.08 0.53 0.12 -0.76 -0.00 0.00 0.00 174.94 174.75 2g1e s LEU 59 N -0.23 3.81 -0.17 0.37 1.43 -0.93 -3.85 118.68 119.12 2g1e s LEU 59 Ca -0.00 -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 44.03 2g1e s LEU 59 CO 0.02 0.01 0.29 0.54 0.23 0.00 0.00 176.35 177.45 2g1e s VAL 60 N 1.35 5.30 -1.70 -1.59 0.11 0.96 -1.92 120.40 122.90 2g1e s VAL 60 Ca 0.06 0.53 -0.21 0.00 -2.93 0.00 0.00 61.98 59.44 2g1e s VAL 60 Cb -0.15 -3.63 0.21 0.00 -1.53 0.00 0.00 36.38 31.28 2g1e s VAL 60 CO 0.06 0.37 0.57 -0.46 -3.33 0.00 0.00 175.10 172.31 2g1e n ASN 61 N 3.73 -1.99 -2.20 3.54 0.23 0.75 -1.45 115.26 117.87 2g1e n ASN 61 Ca -0.12 -1.06 -0.04 0.00 -0.53 0.00 0.00 54.58 52.83 2g1e n ASN 61 Cb 0.52 -1.73 0.02 0.00 -2.08 0.00 0.00 39.78 36.51 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 -1.06 -0.17 3.64 4.83 0.00 -1.26 -5.00 105.19 106.17 2g1e n GLY 62 Ca 0.10 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2g1e n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g1e s ASN 63 N -2.94 -0.04 -0.09 1.61 0.02 -0.53 -5.14 114.94 107.84 2g1e s ASN 63 Ca 0.13 0.05 -0.29 0.00 -1.02 0.00 0.00 52.86 51.73 2g1e s ASN 63 Cb -0.02 0.04 -0.02 0.00 0.02 0.00 0.00 41.25 41.27 2g1e s ASN 63 CO 0.31 -0.03 0.97 0.21 0.02 0.00 0.00 177.10 178.58 2g1e s ASN 64 N -0.90 7.23 0.20 -1.22 3.84 -1.26 -0.03 114.94 122.80 2g1e s ASN 64 Ca 0.09 1.51 0.07 0.00 0.21 0.00 0.00 52.86 54.74 2g1e s ASN 64 Cb -0.01 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.23 2g1e s ASN 64 CO -0.09 -0.39 1.45 0.16 -2.79 0.00 0.00 177.10 175.44 2g1e h ILE 65 N 5.03 1.55 -0.40 -5.21 3.07 -1.82 -3.15 117.51 116.57 2g1e h ILE 65 Ca -0.33 -2.66 0.12 0.00 1.55 0.00 0.00 64.86 63.53 2g1e h ILE 65 Cb 1.16 2.45 -0.02 0.00 -0.27 0.00 0.00 36.82 40.14 2g1e h ILE 65 CO 0.83 0.76 0.38 0.71 -1.05 0.00 0.00 178.15 179.78 2g1e h THR 66 N 0.03 0.49 -0.96 0.16 1.35 -1.87 0.26 112.91 112.37 2g1e h THR 66 Ca -0.02 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.32 2g1e h THR 66 Cb 1.41 0.71 -0.29 0.00 -1.73 0.00 0.00 68.15 68.25 2g1e h THR 66 CO 0.11 0.00 0.67 -0.24 -0.25 0.00 0.00 175.52 175.81 2g1e n SER 67 N -3.91 4.46 0.00 5.36 2.88 -1.19 -4.72 113.62 116.49 2g1e n SER 67 Ca 0.07 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.03 2g1e n SER 67 Cb 0.56 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 -1.03 0.00 -4.31 -1.46 0.00 0.70 -5.05 117.12 105.97 2g1e n MET 68 Ca 0.58 0.00 -0.17 0.00 -0.00 0.00 0.00 57.70 58.11 2g1e n MET 68 Cb 1.44 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.56 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 1.22 0.00 2.12 2.47 0.10 -5.07 119.74 120.58 2g1e s LYS 69 Ca 0.00 -1.52 0.00 0.00 -1.56 0.00 0.00 55.97 52.89 2g1e s LYS 69 Cb 0.00 -0.94 0.00 0.00 -1.46 0.00 0.00 37.83 35.43 2g1e s LYS 69 CO 0.00 0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.07 2g1e n GLY 70 N -0.26 -0.14 0.12 5.54 0.00 -1.26 -3.95 105.19 105.24 2g1e n GLY 70 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 2g1e n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g1e h LEU 71 N 0.00 0.00 -1.29 0.99 3.38 -1.98 -3.27 115.31 113.14 2g1e h LEU 71 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2g1e h LEU 71 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2g1e h LEU 71 CO 0.00 0.36 0.00 -0.67 0.09 0.00 0.00 178.44 178.22 2g1e n ASP 72 N -2.95 1.87 -4.72 -0.43 2.03 -1.26 -3.25 116.55 107.84 2g1e n ASP 72 Ca -0.03 -2.01 -0.42 0.00 0.52 0.00 0.00 54.79 52.85 2g1e n ASP 72 Cb 0.71 -0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 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 -1.54 2.23 0.15 5.18 2.01 -1.23 -4.92 115.64 117.50 2g1e s THR 73 Ca 0.23 0.13 0.05 0.00 0.31 0.00 0.00 61.69 62.41 2g1e s THR 73 Cb 0.12 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2g1e s THR 73 CO 0.16 0.01 0.11 -1.61 -0.69 0.00 0.00 174.62 172.59 2g1e s GLU 74 N 1.34 2.82 0.09 4.92 2.02 -1.26 -1.50 118.70 127.14 2g1e s GLU 74 Ca 0.74 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2g1e s GLU 74 Cb -0.48 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 2g1e s GLU 74 CO 0.32 0.50 0.25 0.42 0.02 0.00 0.00 175.26 176.76 2g1e s ILE 75 N -1.67 5.35 0.80 -1.63 1.01 -1.16 -4.93 121.20 118.97 2g1e s ILE 75 Ca 0.30 -0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 2g1e s ILE 75 Cb -0.10 -3.66 0.13 0.00 0.01 0.00 0.00 42.46 38.84 2g1e s ILE 75 CO 0.22 0.07 1.11 -0.54 0.00 0.00 0.00 174.94 175.80 2g1e s LYS 76 N -2.72 1.49 0.65 2.79 -0.14 -1.26 -4.90 119.74 115.65 2g1e s LYS 76 Ca 0.35 -0.59 0.35 0.00 -1.36 0.00 0.00 55.97 54.73 2g1e s LYS 76 Cb -0.12 -2.11 1.92 0.00 -1.68 0.00 0.00 37.83 35.83 2g1e s LYS 76 CO 0.28 -1.71 2.12 0.22 -0.76 0.00 0.00 175.35 175.50 2g1e h ASP 77 N -0.93 0.00 0.57 2.83 3.58 -2.01 0.15 116.42 120.60 2g1e h ASP 77 Ca -0.42 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.00 2g1e h ASP 77 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2g1e h ASP 77 CO 0.46 0.00 -0.17 0.44 -2.88 0.00 0.00 179.24 177.09 2g1e h ASP 78 N 0.00 0.00 -6.54 2.28 3.32 -1.97 -3.48 116.42 110.03 2g1e h ASP 78 Ca 0.02 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.68 2g1e h ASP 78 Cb 0.41 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.97 2g1e h ASP 78 CO -0.00 0.17 -1.17 -0.90 -1.72 0.00 0.00 179.24 175.62 2g1e n ASP 79 N -3.56 -5.50 -3.69 6.45 5.75 0.52 -4.79 116.55 111.74 2g1e n ASP 79 Ca -0.01 -0.26 -0.12 0.00 -0.01 0.00 0.00 54.79 54.39 2g1e n ASP 79 Cb 0.32 -1.80 -0.12 0.00 -1.03 0.00 0.00 41.12 38.48 2g1e n ASP 79 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2g1e s LYS 80 N -2.84 0.24 -0.01 0.11 2.20 -1.26 -2.10 119.74 116.08 2g1e s LYS 80 Ca 0.32 0.74 0.06 0.00 -0.36 0.00 0.00 55.97 56.73 2g1e s LYS 80 Cb -0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 2g1e s LYS 80 CO 0.88 -0.22 -0.20 0.42 -0.36 0.00 0.00 175.35 175.87 2g1e s ILE 81 N 1.88 1.59 -0.07 5.43 1.01 -0.99 -0.18 121.20 129.87 2g1e s ILE 81 Ca -0.05 -0.87 0.05 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 -0.25 -1.81 0.00 0.00 0.00 174.94 173.22 2g1e s ASP 82 N -0.50 3.08 -0.31 3.58 1.11 -0.81 -0.33 116.67 122.48 2g1e s ASP 82 Ca 0.08 -0.53 -0.08 0.00 0.18 0.00 0.00 52.55 52.19 2g1e s ASP 82 Cb -0.08 -1.05 0.01 0.00 1.07 0.00 0.00 42.92 42.87 2g1e s ASP 82 CO -0.01 0.21 0.12 -0.76 1.18 0.00 0.00 175.17 175.92 2g1e s LEU 83 N 0.02 4.08 0.07 1.23 2.01 -0.92 -2.18 118.68 122.99 2g1e s LEU 83 Ca -0.09 -0.70 0.06 0.00 0.01 0.00 0.00 54.13 53.41 2g1e s LEU 83 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 46.19 44.07 2g1e s LEU 83 CO 0.06 -0.22 -0.09 -0.36 1.01 0.00 0.00 176.35 176.74 2g1e s PHE 84 N 1.54 2.77 -0.29 0.29 0.40 -0.97 -2.01 117.98 119.71 2g1e s PHE 84 Ca 0.03 -0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 2g1e s PHE 84 Cb -0.17 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 2g1e s PHE 84 CO 0.04 0.40 1.66 -1.25 0.70 0.00 0.00 175.22 176.77 2g1e s PRO 85 N -1.92 3.57 1.04 0.24 0.04 -1.26 -4.08 135.00 132.63 2g1e s PRO 85 Ca 0.20 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2g1e s PRO 85 Cb -0.11 -4.10 0.21 0.00 0.04 0.00 0.00 34.50 30.54 2g1e s PRO 85 CO 0.11 -1.56 1.10 -1.25 0.04 0.00 0.00 177.00 175.44 2g1e s PRO 86 N 5.12 0.06 0.37 0.56 0.04 -1.26 -4.74 135.00 135.14 2g1e s PRO 86 Ca 0.73 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 2g1e s PRO 86 Cb -0.22 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 2g1e s PRO 86 CO 0.32 -2.95 0.98 0.28 0.04 0.00 0.00 177.00 175.67 2g1e n VAL 87 N -4.31 2.19 -1.89 -0.36 0.31 -1.26 -0.79 118.33 112.22 2g1e n VAL 87 Ca 0.06 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.72 2g1e n VAL 87 Cb 0.58 -1.07 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 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 -0.21 -0.44 -0.02 3.52 0.00 -1.26 -4.78 120.51 117.31 2g1e n ALA 88 Ca 0.09 0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2g1e n ALA 88 Cb 0.36 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 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 -0.58 -0.36 0.00 0.00 0.00 0.03 -4.69 105.19 99.60 2g1e n GLY 89 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93