#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 2.05 -0.14 3.17 0.11 -0.29 -4.78 120.40 120.53 2g1e s VAL 2 Ca 0.00 -1.03 -0.11 0.00 -2.93 0.00 0.00 61.98 57.91 2g1e s VAL 2 Cb 0.00 -1.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 2g1e s VAL 2 CO 0.00 0.56 0.21 -0.89 -3.33 0.00 0.00 175.10 171.65 2g1e s THR 3 N 0.19 5.37 -0.04 5.04 2.01 -0.83 -0.80 115.64 126.58 2g1e s THR 3 Ca -0.14 0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.28 2g1e s THR 3 Cb -0.17 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 2g1e s THR 3 CO 0.07 0.50 -0.22 0.68 -0.69 0.00 0.00 174.62 174.97 2g1e s VAL 4 N -0.21 2.40 0.05 3.82 -7.23 0.63 -1.47 120.40 118.38 2g1e s VAL 4 Ca 0.14 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2g1e s VAL 4 Cb -0.12 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2g1e s VAL 4 CO 0.03 0.58 -0.11 -0.13 -0.31 0.00 0.00 175.10 175.16 2g1e s ARG 5 N -0.53 2.29 -0.07 4.82 1.81 0.82 -2.06 118.95 126.04 2g1e s ARG 5 Ca 0.07 -0.89 0.05 0.00 -1.72 0.00 0.00 55.73 53.25 2g1e s ARG 5 Cb -0.11 -2.36 -0.01 0.00 -0.45 0.00 0.00 34.95 32.03 2g1e s ARG 5 CO 0.01 0.56 -0.25 0.71 -0.68 0.00 0.00 175.30 175.64 2g1e s TYR 6 N -1.05 2.48 0.00 -0.53 2.02 -1.22 -0.96 117.35 118.09 2g1e s TYR 6 Ca 0.18 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 2g1e s TYR 6 Cb -0.11 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2g1e s TYR 6 CO 0.09 -0.28 0.00 0.66 -1.57 0.00 0.00 175.55 174.45 2g1e n TYR 7 N 3.12 0.00 0.00 2.71 4.02 -0.68 -4.76 117.16 121.58 2g1e n TYR 7 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 2g1e n TYR 7 Cb 0.52 0.01 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 -1.79 0.00 0.24 -0.72 0.00 -1.10 -4.66 120.51 112.48 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 0.14 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.72 1.49 0.09 0.00 -2.24 -1.26 -2.18 114.28 109.45 2g1e n THR 9 Ca 0.00 0.37 0.02 0.00 -2.27 0.00 0.00 64.05 62.17 2g1e n THR 9 Cb 0.00 -1.26 0.37 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.29 0.31 3.22 6.46 -1.95 -2.46 115.31 121.19 2g1e h LEU 10 Ca 0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2g1e h LEU 10 Cb 0.11 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2g1e h LEU 10 CO 0.00 0.42 -0.40 0.03 -0.62 0.00 0.00 178.44 177.86 2g1e h ARG 11 N 0.30 -0.71 0.00 1.25 3.08 -1.70 -1.16 114.38 115.43 2g1e h ARG 11 Ca 0.06 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2g1e h ARG 11 Cb 0.34 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2g1e h ARG 11 CO 0.02 -0.47 0.00 -0.35 -1.07 0.00 0.00 179.97 178.09 2g1e n PRO 12 N -4.81 0.08 -0.07 0.04 -0.04 -1.19 -0.01 135.00 128.99 2g1e n PRO 12 Ca -0.09 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.44 2g1e n PRO 12 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.62 0.00 0.52 2.04 -0.82 -3.37 117.51 117.51 2g1e h ILE 13 Ca 0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2g1e h ILE 13 Cb 0.20 3.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2g1e h ILE 13 CO 0.00 0.55 -0.93 0.41 0.00 0.00 0.00 178.15 178.18 2g1e n THR 14 N -4.60 0.02 -2.23 -0.27 -1.04 -0.53 -4.96 114.28 100.67 2g1e n THR 14 Ca -0.12 -0.05 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 2g1e n THR 14 Cb 0.48 0.68 -0.01 0.00 -1.82 0.00 0.00 70.33 69.66 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 -1.59 -1.32 -4.51 -2.82 5.02 0.98 -5.00 118.16 108.93 2g1e n LYS 15 Ca 0.04 0.84 -0.27 0.00 -2.02 0.00 0.00 58.31 56.90 2g1e n LYS 15 Cb 0.36 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 30.02 2g1e n LYS 15 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2g1e s LYS 16 N -4.68 1.99 -0.03 1.97 -0.14 -1.19 -5.03 119.74 112.62 2g1e s LYS 16 Ca 0.00 -2.01 0.01 0.00 -1.36 0.00 0.00 55.97 52.61 2g1e s LYS 16 Cb 0.00 -1.73 -0.03 0.00 -1.68 0.00 0.00 37.83 34.39 2g1e s LYS 16 CO 0.00 -0.01 -0.01 0.36 -0.76 0.00 0.00 175.35 174.92 2g1e n LYS 17 N -0.98 1.52 -3.68 1.68 0.00 -1.26 -4.70 118.16 110.73 2g1e n LYS 17 Ca -0.04 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 2g1e n LYS 17 Cb 0.66 -1.07 -0.08 0.00 -0.00 0.00 0.00 35.03 34.53 2g1e n LYS 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2g1e s GLU 18 N -2.07 0.71 0.09 -1.58 -6.30 -1.26 -3.46 118.70 104.82 2g1e s GLU 18 Ca -0.03 0.37 -0.02 0.00 -2.50 0.00 0.00 54.97 52.78 2g1e s GLU 18 Cb 0.01 0.33 -0.03 0.00 0.00 0.00 0.00 34.13 34.44 2g1e s GLU 18 CO 0.10 -0.15 0.04 -2.00 0.02 0.00 0.00 175.26 173.26 2g1e s GLU 19 N -0.47 0.77 0.09 4.30 2.12 -0.87 -5.00 118.70 119.64 2g1e s GLU 19 Ca -0.06 -1.27 0.09 0.00 0.36 0.00 0.00 54.97 54.09 2g1e s GLU 19 Cb -0.03 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2g1e s GLU 19 CO 0.04 -0.20 -0.22 0.95 -0.54 0.00 0.00 175.26 175.29 2g1e s THR 20 N -3.96 1.83 0.10 -1.70 -4.23 -1.26 -0.27 115.64 106.15 2g1e s THR 20 Ca 0.13 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2g1e s THR 20 Cb 0.07 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2g1e s THR 20 CO -0.05 0.08 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.72 2g1e s PHE 21 N -1.01 0.80 -0.08 3.99 0.08 0.02 -4.96 117.98 116.81 2g1e s PHE 21 Ca 0.08 -1.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.02 2g1e s PHE 21 Cb -0.10 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 2g1e s PHE 21 CO 0.04 -0.32 0.21 0.54 -0.10 0.00 0.00 175.22 175.59 2g1e s ASN 22 N -3.02 -0.22 0.00 1.36 4.22 -1.26 -1.13 114.94 114.89 2g1e s ASN 22 Ca 0.14 0.44 0.00 0.00 -2.14 0.00 0.00 52.86 51.30 2g1e s ASN 22 Cb 0.07 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.99 2g1e s ASN 22 CO -0.04 -0.11 0.00 0.61 -2.04 0.00 0.00 177.10 175.52 2g1e n GLY 23 N 3.52 1.59 3.79 0.45 0.00 -1.26 -5.08 105.19 108.19 2g1e n GLY 23 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.81 4.42 -0.00 -0.61 1.01 -1.26 -4.95 121.20 118.00 2g1e s ILE 24 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.22 2g1e s ILE 24 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2g1e s ILE 24 CO 0.00 0.34 0.59 -0.24 0.00 0.00 0.00 174.94 175.63 2g1e n SER 25 N 1.08 0.03 -3.92 3.58 2.88 -1.26 -5.00 113.62 111.01 2g1e n SER 25 Ca -0.03 -1.19 -0.10 0.00 -1.33 0.00 0.00 58.87 56.22 2g1e n SER 25 Cb 0.50 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 2g1e n SER 25 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2g1e s LYS 26 N -0.02 0.55 0.22 -1.46 -0.14 -1.26 -3.81 119.74 113.82 2g1e s LYS 26 Ca 0.00 -0.66 -0.02 0.00 -1.36 0.00 0.00 55.97 53.93 2g1e s LYS 26 Cb 0.00 0.22 0.21 0.00 -1.68 0.00 0.00 37.83 36.57 2g1e s LYS 26 CO 0.00 -0.13 1.59 0.82 -0.76 0.00 0.00 175.35 176.87 2g1e h ILE 27 N 3.86 1.30 0.32 2.17 1.08 -1.28 -2.49 117.51 122.47 2g1e h ILE 27 Ca -0.32 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.58 2g1e h ILE 27 Cb 1.19 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.47 2g1e h ILE 27 CO 0.48 0.49 -0.17 -1.28 -0.69 0.00 0.00 178.15 176.98 2g1e h SER 28 N 0.48 -0.41 -0.56 1.72 0.87 -1.76 -0.70 113.55 113.19 2g1e h SER 28 Ca 0.04 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2g1e h SER 28 Cb 0.90 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2g1e h SER 28 CO 0.08 -0.28 0.30 -0.33 -0.53 0.00 0.00 176.83 176.07 2g1e h GLU 29 N -0.45 0.82 0.10 2.24 4.39 -1.85 -2.74 114.58 117.09 2g1e h GLU 29 Ca -0.04 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2g1e h GLU 29 Cb 0.36 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2g1e h GLU 29 CO 0.06 0.62 -0.05 1.25 -1.16 0.00 0.00 179.01 179.73 2g1e h LEU 30 N 0.82 -0.12 -0.40 1.33 7.12 -1.09 -2.55 115.31 120.42 2g1e h LEU 30 Ca 0.21 -0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.20 2g1e h LEU 30 Cb 0.06 0.03 -0.08 0.00 -0.53 0.00 0.00 40.66 40.15 2g1e h LEU 30 CO -0.03 0.03 -0.10 -0.07 -0.13 0.00 0.00 178.44 178.13 2g1e h LEU 31 N -0.26 -0.38 -0.89 2.25 -0.00 -0.90 -0.69 115.31 114.44 2g1e h LEU 31 Ca -0.01 0.12 0.12 0.00 -0.00 0.00 0.00 57.88 58.11 2g1e h LEU 31 Cb 0.21 0.25 -0.08 0.00 -0.00 0.00 0.00 40.66 41.04 2g1e h LEU 31 CO 0.02 -0.13 0.52 -0.33 -0.00 0.00 0.00 178.44 178.52 2g1e h GLU 32 N -0.00 0.78 -0.02 1.13 5.08 -1.39 0.10 114.58 120.26 2g1e h GLU 32 Ca 0.19 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2g1e h GLU 32 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2g1e h GLU 32 CO -0.41 0.51 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.88 2g1e h ARG 33 N 0.80 0.03 -0.02 2.33 2.43 -0.72 -2.57 114.38 116.66 2g1e h ARG 33 Ca 0.46 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2g1e h ARG 33 Cb 0.52 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2g1e h ARG 33 CO -0.29 0.16 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.26 2g1e h LEU 34 N 0.03 0.04 -1.23 3.80 3.38 -0.12 0.27 115.31 121.47 2g1e h LEU 34 Ca 0.00 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2g1e h LEU 34 Cb 0.26 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2g1e h LEU 34 CO 0.02 0.39 0.54 0.50 0.09 0.00 0.00 178.44 179.97 2g1e h LYS 35 N -0.31 0.93 0.15 1.13 3.64 -1.21 0.29 116.57 121.18 2g1e h LYS 35 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2g1e h LYS 35 Cb 0.37 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2g1e h LYS 35 CO 0.00 0.62 -0.07 0.28 -2.27 0.00 0.00 179.45 178.01 2g1e h VAL 36 N 0.96 0.52 -0.19 2.00 2.07 -1.37 0.26 116.25 120.50 2g1e h VAL 36 Ca 0.34 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.78 2g1e h VAL 36 Cb 0.13 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2g1e h VAL 36 CO -0.11 0.15 -0.11 -0.08 0.02 0.00 0.00 177.57 177.44 2g1e h GLU 37 N -0.98 -0.10 0.00 1.57 4.22 -0.36 -1.28 114.58 117.65 2g1e h GLU 37 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2g1e h GLU 37 Cb 0.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2g1e h GLU 37 CO 0.03 -0.07 0.00 1.88 -2.18 0.00 0.00 179.01 178.68 2g1e h TYR 38 N -0.10 0.00 0.00 0.92 0.05 -0.56 -3.50 116.97 113.78 2g1e h TYR 38 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2g1e h TYR 38 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2g1e h TYR 38 CO -0.27 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.25 2g1e n GLY 39 N 0.97 -1.84 0.14 3.88 0.00 0.93 -4.07 105.19 105.19 2g1e n GLY 39 Ca 0.04 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.56 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 0.12 -0.99 1.61 4.64 -1.88 -3.11 113.55 113.94 2g1e h SER 40 Ca 0.00 -0.08 0.26 0.00 -0.47 0.00 0.00 61.79 61.50 2g1e h SER 40 Cb 0.00 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 2g1e h SER 40 CO 0.00 0.74 0.67 -0.08 -0.87 0.00 0.00 176.83 177.30 2g1e h GLU 41 N 0.07 0.21 -0.02 4.77 4.57 -1.91 0.30 114.58 122.58 2g1e h GLU 41 Ca -0.01 -0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.91 2g1e h GLU 41 Cb 1.17 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2g1e h GLU 41 CO 0.09 0.14 -0.95 0.35 -1.18 0.00 0.00 179.01 177.46 2g1e h PHE 42 N 0.22 1.01 -0.30 0.92 3.57 -1.68 -2.00 116.94 118.67 2g1e h PHE 42 Ca 0.51 -0.53 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2g1e h PHE 42 Cb 1.60 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.21 2g1e h PHE 42 CO -0.00 1.37 -0.17 1.15 -2.23 0.00 0.00 178.31 178.42 2g1e h THR 43 N 0.36 1.30 0.00 4.41 2.02 -0.81 -0.39 112.91 119.80 2g1e h THR 43 Ca -0.11 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 2g1e h THR 43 Cb 1.61 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2g1e h THR 43 CO 0.19 0.41 -0.33 0.11 0.37 0.00 0.00 175.52 176.27 2g1e h LYS 44 N 0.39 0.00 0.00 6.66 1.79 -0.64 0.31 116.57 125.08 2g1e h LYS 44 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2g1e h LYS 44 Cb 0.71 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2g1e h LYS 44 CO 0.05 0.33 -0.55 1.96 -1.08 0.00 0.00 179.45 180.17 2g1e h GLN 45 N 0.00 0.00 0.02 3.15 1.08 -1.20 -3.34 115.11 114.82 2g1e h GLN 45 Ca -0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.84 2g1e h GLN 45 Cb 0.78 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 2g1e h GLN 45 CO 0.04 0.04 -2.17 -1.33 -0.95 0.00 0.00 178.83 174.45 2g1e n MET 46 N -2.90 0.68 -2.00 1.46 2.81 -0.17 -4.80 117.12 112.19 2g1e n MET 46 Ca 0.01 0.14 -0.33 0.00 -1.81 0.00 0.00 57.70 55.72 2g1e n MET 46 Cb 0.56 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 31.41 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 -2.53 1.66 -0.53 2.03 1.51 0.10 -4.87 117.35 114.72 2g1e s TYR 47 Ca -0.15 0.81 0.04 0.00 -1.01 0.00 0.00 57.07 56.76 2g1e s TYR 47 Cb 0.07 -4.02 0.13 0.00 -0.11 0.00 0.00 41.96 38.03 2g1e s TYR 47 CO 0.77 -2.08 0.28 -0.51 -1.11 0.00 0.00 175.55 172.90 2g1e s ASP 48 N 8.40 4.39 0.00 2.29 1.11 -1.26 -4.92 116.67 126.68 2g1e s ASP 48 Ca 0.71 -3.03 0.00 0.00 0.18 0.00 0.00 52.55 50.41 2g1e s ASP 48 Cb -0.11 -1.66 0.00 0.00 1.07 0.00 0.00 42.92 42.23 2g1e s ASP 48 CO 0.12 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 176.85 2g1e n GLY 49 N 3.10 1.62 1.86 0.21 0.00 -1.26 -4.79 105.19 105.93 2g1e n GLY 49 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 -4.63 1.61 4.13 -1.26 -5.12 115.26 109.98 2g1e n ASN 50 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 2g1e n ASN 50 Cb 0.00 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.16 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 -4.99 4.30 0.01 6.41 0.02 -1.26 -5.08 114.94 114.34 2g1e s ASN 51 Ca 0.00 -0.86 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 2g1e s ASN 51 Cb 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 41.25 40.64 2g1e s ASN 51 CO 0.00 -0.15 0.00 -0.11 0.02 0.00 0.00 177.10 176.86 2g1e n LEU 52 N -0.93 0.06 -0.02 0.60 7.94 -1.26 -4.42 117.00 118.96 2g1e n LEU 52 Ca -0.05 0.01 0.22 0.00 -1.11 0.00 0.00 56.01 55.08 2g1e n LEU 52 Cb 0.61 -0.02 0.71 0.00 0.53 0.00 0.00 43.42 45.25 2g1e n LEU 52 CO 0.42 -0.52 1.20 0.15 -1.11 0.00 0.00 177.39 177.53 2g1e h PHE 53 N 0.00 0.00 0.00 1.96 3.04 -1.96 0.59 116.94 120.58 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 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 2g1e h PHE 53 CO 0.00 0.00 -0.01 -0.22 -2.02 0.00 0.00 178.31 176.06 2g1e h LYS 54 N 0.00 0.00 0.00 1.11 3.64 -2.01 -2.86 116.57 116.45 2g1e h LYS 54 Ca 0.28 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2g1e h LYS 54 Cb 1.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2g1e h LYS 54 CO -0.00 0.01 -1.15 0.09 -2.27 0.00 0.00 179.45 176.13 2g1e n ASN 55 N -3.32 4.34 -4.50 4.20 3.02 0.12 -5.05 115.26 114.06 2g1e n ASN 55 Ca -0.02 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.09 2g1e n ASN 55 Cb 0.12 0.98 -0.01 0.00 -0.61 0.00 0.00 39.78 40.26 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 -1.74 1.93 -3.92 2.41 3.14 0.16 -4.43 118.33 115.88 2g1e n VAL 56 Ca -0.02 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.56 2g1e n VAL 56 Cb 0.22 -0.65 -0.16 0.00 -1.06 0.00 0.00 33.84 32.19 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 -1.23 1.47 -0.04 1.55 2.07 -1.26 -4.96 121.20 118.80 2g1e s ILE 57 Ca 0.62 -1.21 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 2g1e s ILE 57 Cb -0.69 -1.77 -0.01 0.00 0.13 0.00 0.00 42.46 40.12 2g1e s ILE 57 CO 0.58 -0.13 -0.24 0.27 -1.91 0.00 0.00 174.94 173.51 2g1e s ILE 58 N 1.42 1.92 -0.25 2.00 -0.00 -1.26 -2.38 121.20 122.64 2g1e s ILE 58 Ca -0.05 -1.01 -0.10 0.00 -0.00 0.00 0.00 60.65 59.50 2g1e s ILE 58 Cb -0.19 -1.62 -0.04 0.00 -0.00 0.00 0.00 42.46 40.61 2g1e s ILE 58 CO -0.07 0.54 0.14 -0.76 -0.00 0.00 0.00 174.94 174.79 2g1e s LEU 59 N -0.28 3.88 -0.19 0.37 1.43 -1.01 -3.69 118.68 119.19 2g1e s LEU 59 Ca 0.01 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2g1e s LEU 59 Cb -0.12 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2g1e s LEU 59 CO 0.02 0.01 0.16 0.54 0.23 0.00 0.00 176.35 177.31 2g1e s VAL 60 N 1.39 5.39 -1.82 -1.59 0.11 0.81 -1.94 120.40 122.74 2g1e s VAL 60 Ca 0.06 0.26 -0.23 0.00 -2.93 0.00 0.00 61.98 59.15 2g1e s VAL 60 Cb -0.15 -3.50 0.23 0.00 -1.53 0.00 0.00 36.38 31.43 2g1e s VAL 60 CO 0.06 0.44 0.60 -0.46 -3.33 0.00 0.00 175.10 172.41 2g1e n ASN 61 N 3.47 -1.93 -2.39 3.54 6.94 0.70 -1.08 115.26 124.51 2g1e n ASN 61 Ca -0.15 -1.18 -0.07 0.00 -0.02 0.00 0.00 54.58 53.15 2g1e n ASN 61 Cb 0.52 -1.67 0.03 0.00 -2.36 0.00 0.00 39.78 36.30 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 -0.17 3.65 4.83 0.00 -1.26 -5.00 105.19 106.16 2g1e n GLY 62 Ca 0.11 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.18 -0.02 0.14 1.61 3.84 -0.24 -5.14 114.94 111.96 2g1e s ASN 63 Ca 0.23 0.04 -0.31 0.00 0.21 0.00 0.00 52.86 53.03 2g1e s ASN 63 Cb -0.03 0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.80 2g1e s ASN 63 CO 0.38 -0.01 1.38 0.21 -2.79 0.00 0.00 177.10 176.27 2g1e s ASN 64 N 0.20 6.82 0.31 -4.21 3.84 -1.26 -0.13 114.94 120.51 2g1e s ASN 64 Ca 0.05 2.37 0.16 0.00 0.21 0.00 0.00 52.86 55.65 2g1e s ASN 64 Cb -0.04 -2.59 0.38 0.00 -0.55 0.00 0.00 41.25 38.44 2g1e s ASN 64 CO -0.15 -0.63 1.59 0.16 -2.79 0.00 0.00 177.10 175.28 2g1e h ILE 65 N 4.09 1.01 -0.41 -5.21 3.07 -1.84 -3.14 117.51 115.08 2g1e h ILE 65 Ca -0.43 -1.97 0.12 0.00 1.55 0.00 0.00 64.86 64.12 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 0.49 0.39 0.71 -1.05 0.00 0.00 178.15 179.53 2g1e h THR 66 N 0.00 0.47 -0.73 0.16 1.35 -1.88 0.14 112.91 112.42 2g1e h THR 66 Ca -0.00 0.00 -0.44 0.00 -0.55 0.00 0.00 66.41 65.42 2g1e h THR 66 Cb 1.15 0.70 -0.22 0.00 -1.73 0.00 0.00 68.15 68.04 2g1e h THR 66 CO 0.06 0.00 0.56 -1.54 -0.25 0.00 0.00 175.52 174.36 2g1e n SER 67 N -3.88 5.29 0.00 5.36 3.41 -1.19 -4.68 113.62 117.93 2g1e n SER 67 Ca 0.07 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 2g1e n SER 67 Cb 0.58 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2g1e n SER 67 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2g1e n MET 68 N -0.50 0.00 -4.44 4.33 0.00 0.33 -5.07 117.12 111.77 2g1e n MET 68 Ca 0.45 0.00 -0.21 0.00 -0.00 0.00 0.00 57.70 57.94 2g1e n MET 68 Cb 1.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.11 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 1.65 0.00 2.12 2.47 -0.31 -5.07 119.74 120.60 2g1e s LYS 69 Ca 0.00 -1.92 0.00 0.00 -1.56 0.00 0.00 55.97 52.49 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 -0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.71 2g1e n GLY 70 N -0.68 -0.12 0.07 5.54 0.00 -1.26 -3.92 105.19 104.82 2g1e n GLY 70 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2g1e n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g1e n LEU 71 N -1.73 0.41 -0.65 0.99 4.77 -1.26 -4.02 117.00 115.50 2g1e n LEU 71 Ca 0.00 0.18 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2g1e n LEU 71 Cb 0.00 0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.40 2g1e n LEU 71 CO 0.00 0.17 0.63 0.47 -1.33 0.00 0.00 177.39 177.34 2g1e n ASP 72 N -2.67 1.90 -4.70 -1.43 8.00 -1.26 -2.81 116.55 113.57 2g1e n ASP 72 Ca -0.13 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 52.95 2g1e n ASP 72 Cb 0.83 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.53 2.44 0.33 -3.53 2.01 -1.26 -4.89 115.64 109.21 2g1e s THR 73 Ca 0.24 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2g1e s THR 73 Cb 0.12 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 2g1e s THR 73 CO 0.16 0.00 0.40 -1.61 -0.69 0.00 0.00 174.62 172.89 2g1e s GLU 74 N 2.06 3.02 0.10 4.92 8.01 -1.26 -1.00 118.70 134.55 2g1e s GLU 74 Ca 0.77 -1.08 0.05 0.00 0.01 0.00 0.00 54.97 54.72 2g1e s GLU 74 Cb -0.46 -2.71 -0.04 0.00 -4.31 0.00 0.00 34.13 26.60 2g1e s GLU 74 CO 0.34 0.11 0.00 0.42 0.01 0.00 0.00 175.26 176.14 2g1e s ILE 75 N -2.20 3.98 0.84 -1.63 1.01 -1.25 -4.90 121.20 117.05 2g1e s ILE 75 Ca 0.43 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 2g1e s ILE 75 Cb -0.08 -2.92 0.13 0.00 0.01 0.00 0.00 42.46 39.60 2g1e s ILE 75 CO 0.29 0.08 1.18 -0.54 0.00 0.00 0.00 174.94 175.95 2g1e s LYS 76 N -2.42 1.45 0.56 2.79 -0.14 -1.26 -4.90 119.74 115.82 2g1e s LYS 76 Ca 0.26 -0.34 0.28 0.00 -1.36 0.00 0.00 55.97 54.81 2g1e s LYS 76 Cb -0.11 -2.01 1.48 0.00 -1.68 0.00 0.00 37.83 35.52 2g1e s LYS 76 CO 0.18 -1.83 1.97 0.22 -0.76 0.00 0.00 175.35 175.13 2g1e h ASP 77 N -1.12 0.00 -0.66 2.83 3.58 -2.01 -0.46 116.42 118.58 2g1e h ASP 77 Ca -0.44 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.04 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 0.41 0.44 -2.88 0.00 0.00 179.24 177.71 2g1e h ASP 78 N 0.00 0.68 -5.12 2.28 5.19 -1.96 -3.48 116.42 114.01 2g1e h ASP 78 Ca 0.22 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2g1e h ASP 78 Cb 1.04 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.40 2g1e h ASP 78 CO -0.00 0.48 -0.38 0.47 -3.12 0.00 0.00 179.24 176.69 2g1e n ASP 79 N -4.68 -7.49 -3.68 6.45 8.00 -0.18 -4.80 116.55 110.16 2g1e n ASP 79 Ca 0.06 0.40 -0.12 0.00 0.71 0.00 0.00 54.79 55.84 2g1e n ASP 79 Cb 0.07 -5.06 -0.12 0.00 -0.02 0.00 0.00 41.12 35.99 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 -2.58 0.22 -0.02 -1.24 2.20 -1.26 -1.97 119.74 115.09 2g1e s LYS 80 Ca 0.19 0.76 0.06 0.00 -0.36 0.00 0.00 55.97 56.61 2g1e s LYS 80 Cb -0.05 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2g1e s LYS 80 CO 0.71 -0.24 -0.20 0.42 -0.36 0.00 0.00 175.35 175.68 2g1e s ILE 81 N 2.08 1.59 -0.03 5.43 1.01 -0.54 -0.22 121.20 130.52 2g1e s ILE 81 Ca -0.03 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.85 2g1e s ILE 81 Cb -0.11 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2g1e s ILE 81 CO -0.10 0.45 -0.25 -1.81 0.00 0.00 0.00 174.94 173.23 2g1e s ASP 82 N -0.34 3.11 -0.30 3.58 1.11 -0.82 -0.13 116.67 122.88 2g1e s ASP 82 Ca 0.05 -0.47 -0.07 0.00 0.18 0.00 0.00 52.55 52.24 2g1e s ASP 82 Cb -0.09 -0.53 0.01 0.00 1.07 0.00 0.00 42.92 43.38 2g1e s ASP 82 CO 0.00 0.30 0.09 -0.76 1.18 0.00 0.00 175.17 175.97 2g1e s LEU 83 N -0.47 3.89 0.08 1.23 2.01 -0.13 -2.39 118.68 122.90 2g1e s LEU 83 Ca 0.06 -0.73 0.07 0.00 0.01 0.00 0.00 54.13 53.54 2g1e s LEU 83 Cb -0.11 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2g1e s LEU 83 CO 0.01 -0.20 -0.15 -0.36 1.01 0.00 0.00 176.35 176.66 2g1e s PHE 84 N 1.50 2.63 -0.29 0.29 0.40 -1.00 -1.69 117.98 119.82 2g1e s PHE 84 Ca 0.02 -0.21 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 2g1e s PHE 84 Cb -0.17 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 2g1e s PHE 84 CO 0.03 0.35 1.66 -1.25 0.70 0.00 0.00 175.22 176.71 2g1e s PRO 85 N -1.85 3.57 1.14 0.24 0.04 -1.26 -4.07 135.00 132.81 2g1e s PRO 85 Ca 0.18 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2g1e s PRO 85 Cb -0.11 -4.10 0.26 0.00 0.04 0.00 0.00 34.50 30.59 2g1e s PRO 85 CO 0.09 -1.57 1.10 -1.25 0.04 0.00 0.00 177.00 175.42 2g1e s PRO 86 N 5.12 -0.72 0.28 0.56 0.04 -1.26 -4.80 135.00 134.23 2g1e s PRO 86 Ca 0.74 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2g1e s PRO 86 Cb -0.22 -1.64 -0.14 0.00 0.04 0.00 0.00 34.50 32.54 2g1e s PRO 86 CO 0.32 -3.41 1.13 0.28 0.04 0.00 0.00 177.00 175.36 2g1e n VAL 87 N -4.58 1.76 -1.61 -0.36 0.31 -1.26 -0.46 118.33 112.13 2g1e n VAL 87 Ca 0.10 -0.44 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 2g1e n VAL 87 Cb 0.59 -1.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.58 -0.32 -0.96 3.52 0.00 -1.26 -4.83 120.51 117.24 2g1e n ALA 88 Ca 0.09 0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.92 2g1e n ALA 88 Cb 0.32 -2.06 0.36 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.39 3.31 0.00 0.00 0.00 0.40 -4.70 105.19 103.81 2g1e n GLY 89 Ca -0.21 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2g1e n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93