#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0x h GLN 6 N 0.00 0.00 0.62 -2.82 7.50 -1.99 -3.23 115.11 115.19 2f0x h GLN 6 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 2f0x h GLN 6 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2f0x h GLN 6 CO 0.00 0.31 -0.34 0.66 -1.50 0.00 0.00 178.83 177.95 2f0x h SER 7 N -1.00 -0.85 -0.88 1.46 4.64 -2.03 -2.92 113.55 111.97 2f0x h SER 7 Ca -0.05 0.04 0.22 0.00 -0.47 0.00 0.00 61.79 61.53 2f0x h SER 7 Cb 0.51 0.24 -0.16 0.00 -0.31 0.00 0.00 62.40 62.68 2f0x h SER 7 CO -0.03 -0.55 0.03 -0.07 -0.87 0.00 0.00 176.83 175.34 2f0x h LEU 8 N -0.89 -0.39 -2.00 5.97 4.07 -2.00 0.82 115.31 120.89 2f0x h LEU 8 Ca -0.08 0.24 0.01 0.00 0.08 0.00 0.00 57.88 58.12 2f0x h LEU 8 Cb 0.70 0.41 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 2f0x h LEU 8 CO 0.11 -0.25 0.02 0.03 -1.08 0.00 0.00 178.44 177.26 2f0x h ARG 9 N 0.07 0.00 -0.04 1.13 -0.00 -1.56 -1.77 114.38 112.21 2f0x h ARG 9 Ca 0.51 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.83 2f0x h ARG 9 Cb 0.98 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.96 2f0x h ARG 9 CO -0.79 0.00 -0.59 1.05 0.00 0.00 0.00 179.97 179.64 2f0x h GLU 10 N 0.00 0.48 -0.75 0.04 4.11 0.80 -2.57 114.58 116.68 2f0x h GLU 10 Ca 0.01 -0.45 0.13 0.00 0.07 0.00 0.00 59.36 59.12 2f0x h GLU 10 Cb 0.05 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2f0x h GLU 10 CO -0.00 1.10 0.50 0.28 0.07 0.00 0.00 179.01 180.96 2f0x h VAL 11 N 0.02 0.85 -0.02 -1.06 2.07 -0.41 -1.31 116.25 116.40 2f0x h VAL 11 Ca -0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2f0x h VAL 11 Cb 1.27 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2f0x h VAL 11 CO 0.12 0.09 -0.13 0.40 0.02 0.00 0.00 177.57 178.07 2f0x h ILE 12 N 0.52 1.52 -0.71 4.57 2.04 -1.37 -3.27 117.51 120.81 2f0x h ILE 12 Ca 0.36 -1.72 0.07 0.00 1.00 0.00 0.00 64.86 64.58 2f0x h ILE 12 Cb 0.69 2.60 -0.06 0.00 -0.74 0.00 0.00 36.82 39.31 2f0x h ILE 12 CO -0.13 0.46 0.39 0.11 0.00 0.00 0.00 178.15 178.98 2f0x h LYS 13 N -0.52 0.68 -1.98 2.37 1.57 -1.02 -2.67 116.57 115.00 2f0x h LYS 13 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2f0x h LYS 13 Cb 0.83 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2f0x h LYS 13 CO 0.03 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 2f0x n ALA 14 N -2.37 1.54 0.00 3.86 0.00 -0.54 -3.78 120.51 119.22 2f0x n ALA 14 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2f0x n ALA 14 Cb 0.21 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2f0x n ALA 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2f0x n THR 16 N 1.18 0.00 -0.07 0.00 -1.04 -1.01 -1.45 114.28 111.89 2f0x n THR 16 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2f0x n THR 16 Cb 0.01 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.44 2f0x n THR 16 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2f0x n LYS 17 N 0.05 1.04 -1.18 -2.82 5.02 -1.25 -5.00 118.16 114.03 2f0x n LYS 17 Ca 0.00 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 2f0x n LYS 17 Cb 0.00 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2f0x n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2f0x n ALA 18 N -2.77 -2.95 -0.08 7.82 0.00 -0.53 -4.94 120.51 117.07 2f0x n ALA 18 Ca -0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 2f0x n ALA 18 Cb 0.86 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.82 2f0x n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f0x n ARG 19 N 1.39 0.72 0.00 0.00 3.00 -1.26 -4.55 116.66 115.95 2f0x n ARG 19 Ca 0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 2f0x n ARG 19 Cb 0.43 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2f0x n ARG 19 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2f0x n ASN 20 N -2.62 -0.37 0.11 0.55 0.23 -1.26 -4.85 115.26 107.04 2f0x n ASN 20 Ca -0.26 -0.09 0.12 0.00 -0.53 0.00 0.00 54.58 53.83 2f0x n ASN 20 Cb 1.01 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 39.17 2f0x n ASN 20 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2f0x n PHE 21 N -1.22 0.75 0.53 -2.53 7.35 -1.26 -3.00 117.46 118.08 2f0x n PHE 21 Ca 0.00 0.27 0.09 0.00 -0.76 0.00 0.00 57.45 57.04 2f0x n PHE 21 Cb 0.00 -0.93 0.37 0.00 0.35 0.00 0.00 39.48 39.27 2f0x n PHE 21 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2f0x n GLU 22 N -2.16 0.04 0.25 -4.13 -0.58 -1.26 -2.62 120.64 110.17 2f0x n GLU 22 Ca 0.03 0.26 0.08 0.00 -0.42 0.00 0.00 57.16 57.12 2f0x n GLU 22 Cb 0.29 -1.57 0.63 0.00 -0.57 0.00 0.00 31.44 30.22 2f0x n GLU 22 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2f0x h ARG 23 N 0.00 0.00 0.00 3.49 0.11 -1.77 -2.01 114.38 114.20 2f0x h ARG 23 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2f0x h ARG 23 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2f0x h ARG 23 CO 0.00 0.11 0.00 1.33 0.10 0.00 0.00 179.97 181.51 2f0x n VAL 24 N -4.19 1.30 -0.49 0.08 0.24 -1.08 -1.51 118.33 112.68 2f0x n VAL 24 Ca -0.03 0.37 0.09 0.00 -2.04 0.00 0.00 64.34 62.73 2f0x n VAL 24 Cb 0.19 -1.24 0.30 0.00 -1.47 0.00 0.00 33.84 31.62 2f0x n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2f0x n LEU 25 N -1.65 4.10 -0.19 1.34 4.77 -0.75 -4.67 117.00 119.95 2f0x n LEU 25 Ca 0.02 -2.27 0.17 0.00 -0.03 0.00 0.00 56.01 53.90 2f0x n LEU 25 Cb 0.11 -0.48 0.52 0.00 -2.33 0.00 0.00 43.42 41.24 2f0x n LEU 25 CO 0.10 0.84 1.21 1.23 -1.33 0.00 0.00 177.39 179.44 2f0x h GLY 26 N 3.58 0.72 1.22 -0.72 0.00 -1.41 -2.24 103.07 104.22 2f0x h GLY 26 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2f0x h GLY 26 CO 0.12 0.04 -0.01 0.28 0.00 0.00 0.00 176.54 176.97 2f0x n LYS 27 N -4.48 0.73 -2.53 4.80 4.76 -1.26 -4.70 118.16 115.49 2f0x n LYS 27 Ca 0.16 -0.04 -0.37 0.00 -2.87 0.00 0.00 58.31 55.20 2f0x n LYS 27 Cb 0.59 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 2f0x n LYS 27 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2f0x s ILE 28 N -2.29 3.69 -0.04 -0.18 -4.36 -0.85 -4.70 121.20 112.47 2f0x s ILE 28 Ca 0.38 1.29 0.05 0.00 -0.26 0.00 0.00 60.65 62.12 2f0x s ILE 28 Cb 0.21 -3.67 -0.01 0.00 1.25 0.00 0.00 42.46 40.24 2f0x s ILE 28 CO 0.42 0.01 -0.21 0.42 0.24 0.00 0.00 174.94 175.82 2f0x s THR 29 N -1.65 1.72 0.38 8.37 -4.23 -0.72 -4.98 115.64 114.53 2f0x s THR 29 Ca 0.58 -0.89 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 2f0x s THR 29 Cb -0.22 -1.45 -0.10 0.00 1.34 0.00 0.00 72.50 72.06 2f0x s THR 29 CO 0.28 0.49 0.98 -0.22 -0.54 0.00 0.00 174.62 175.61 2f0x s LEU 30 N -0.16 4.16 -0.01 4.79 2.96 -1.26 -0.99 118.68 128.16 2f0x s LEU 30 Ca -0.01 1.87 -0.05 0.00 -0.22 0.00 0.00 54.13 55.72 2f0x s LEU 30 Cb -0.12 -4.22 -0.02 0.00 0.50 0.00 0.00 46.19 42.33 2f0x s LEU 30 CO 0.02 -0.31 -0.10 0.52 -1.32 0.00 0.00 176.35 175.16 2f0x n VAL 31 N -0.01 0.97 -3.87 1.68 0.31 -0.05 -4.88 118.33 112.48 2f0x n VAL 31 Ca 0.04 0.27 -0.11 0.00 -0.01 0.00 0.00 64.34 64.54 2f0x n VAL 31 Cb 0.51 -1.70 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 2f0x n VAL 31 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2f0x s SER 32 N -5.59 0.01 -0.01 4.52 1.04 -1.02 -5.01 113.70 107.65 2f0x s SER 32 Ca -0.08 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.28 2f0x s SER 32 Cb 0.01 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2f0x s SER 32 CO 0.12 -0.26 -0.12 0.00 0.98 0.00 0.00 173.24 173.96 2f0x s ALA 33 N -0.95 0.99 0.26 5.32 0.00 -1.26 -1.30 121.76 124.81 2f0x s ALA 33 Ca -0.10 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2f0x s ALA 33 Cb -0.06 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.86 2f0x s ALA 33 CO 0.01 0.24 0.86 0.00 0.00 0.00 0.00 175.76 176.86 2f0x s ALA 34 N -0.27 -1.27 -0.29 0.00 0.00 -0.59 -4.63 121.76 114.72 2f0x s ALA 34 Ca 0.04 -0.32 -0.33 0.00 0.00 0.00 0.00 51.96 51.36 2f0x s ALA 34 Cb -0.05 0.73 -0.10 0.00 0.00 0.00 0.00 23.12 23.71 2f0x s ALA 34 CO -0.00 -1.03 2.17 -2.30 0.00 0.00 0.00 175.76 174.59 2f0x n PRO 35 N -0.52 1.43 -1.25 0.00 -0.02 -1.25 -2.02 135.00 131.36 2f0x n PRO 35 Ca -0.06 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 2f0x n PRO 35 Cb 0.60 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2f0x n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2f0x n GLY 36 N 6.11 0.98 3.04 -1.23 0.00 -1.17 -4.96 105.19 107.96 2f0x n GLY 36 Ca 0.36 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2f0x n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f0x s LYS 37 N -2.49 0.18 -0.05 1.61 2.20 -0.86 -0.60 119.74 119.74 2f0x s LYS 37 Ca 0.00 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.26 2f0x s LYS 37 Cb 0.00 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.25 2f0x s LYS 37 CO 0.00 -0.22 -0.08 0.08 -0.36 0.00 0.00 175.35 174.77 2f0x s VAL 38 N 1.76 0.80 -0.17 4.02 1.01 -0.66 -1.54 120.40 125.61 2f0x s VAL 38 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2f0x s VAL 38 Cb -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2f0x s VAL 38 CO -0.09 0.28 -0.16 -0.63 0.00 0.00 0.00 175.10 174.50 2f0x s ILE 39 N 0.71 2.52 0.27 2.22 1.01 -0.42 -1.12 121.20 126.39 2f0x s ILE 39 Ca -0.12 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.79 2f0x s ILE 39 Cb -0.14 -2.07 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 2f0x s ILE 39 CO 0.02 0.51 -0.04 0.00 0.00 0.00 0.00 174.94 175.42 2f0x n GLU 41 N -0.56 0.46 -4.76 0.00 1.02 -0.16 -0.31 120.64 116.32 2f0x n GLU 41 Ca -0.05 -0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 56.34 2f0x n GLU 41 Cb 0.64 0.33 -0.17 0.00 -0.02 0.00 0.00 31.44 32.22 2f0x n GLU 41 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2f0x s LYS 43 N -2.21 2.07 -0.02 3.49 2.20 -1.26 -1.76 119.74 122.25 2f0x s LYS 43 Ca 0.04 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 2f0x s LYS 43 Cb 0.00 -1.65 -0.05 0.00 -1.51 0.00 0.00 37.83 34.62 2f0x s LYS 43 CO 0.03 0.07 1.41 0.08 -0.36 0.00 0.00 175.35 176.58 2f0x s VAL 44 N 0.57 3.77 0.37 4.02 1.01 0.39 -4.93 120.40 125.60 2f0x s VAL 44 Ca -0.16 1.11 0.05 0.00 0.00 0.00 0.00 61.98 62.99 2f0x s VAL 44 Cb -0.16 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2f0x s VAL 44 CO 0.05 -0.02 0.04 -1.61 0.00 0.00 0.00 175.10 173.56 2f0x s GLU 45 N 2.64 1.82 0.31 2.72 2.02 -1.26 0.02 118.70 126.98 2f0x s GLU 45 Ca 0.64 -2.03 0.08 0.00 0.02 0.00 0.00 54.97 53.68 2f0x s GLU 45 Cb -0.30 -1.20 0.89 0.00 0.10 0.00 0.00 34.13 33.62 2f0x s GLU 45 CO 0.26 -0.16 1.67 1.49 0.02 0.00 0.00 175.26 178.54 2f0x h GLU 46 N 1.92 0.32 0.00 1.61 4.81 -1.97 0.25 114.58 121.52 2f0x h GLU 46 Ca -0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2f0x h GLU 46 Cb 1.25 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2f0x h GLU 46 CO 0.74 0.21 0.00 1.05 -0.73 0.00 0.00 179.01 180.28 2f0x h GLU 47 N 0.33 0.00 -0.02 1.92 4.11 -2.00 -2.04 114.58 116.89 2f0x h GLU 47 Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 2f0x h GLU 47 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2f0x h GLU 47 CO -0.60 0.00 -0.38 0.72 0.07 0.00 0.00 179.01 178.82 2f0x n HIS 48 N -2.60 0.00 -2.50 2.06 8.25 0.88 -5.00 115.22 116.31 2f0x n HIS 48 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2f0x n HIS 48 Cb 0.15 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.25 2f0x n HIS 48 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2f0x s THR 49 N -2.43 4.20 0.00 1.59 -4.23 -0.77 -0.76 115.64 113.24 2f0x s THR 49 Ca 0.21 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2f0x s THR 49 Cb 0.19 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2f0x s THR 49 CO 0.53 -0.63 0.00 -0.46 -0.54 0.00 0.00 174.62 173.52 2f0x n ASN 50 N -2.43 0.24 -0.29 3.99 0.23 0.45 -4.55 115.26 112.90 2f0x n ASN 50 Ca 0.03 -0.90 0.02 0.00 -0.53 0.00 0.00 54.58 53.20 2f0x n ASN 50 Cb 0.56 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.49 2f0x n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2f0x h ALA 51 N 0.43 1.46 -0.36 -2.53 0.00 -1.99 -2.43 119.26 113.84 2f0x h ALA 51 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2f0x h ALA 51 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2f0x h ALA 51 CO 0.00 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.14 2f0x n ILE 52 N -4.45 0.85 -0.68 0.00 -5.35 -1.26 -4.93 119.36 103.54 2f0x n ILE 52 Ca 0.12 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2f0x n ILE 52 Cb 0.11 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.04 2f0x n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f0x n GLY 53 N 0.84 0.66 3.79 3.28 0.00 -0.92 -5.07 105.19 107.76 2f0x n GLY 53 Ca 0.14 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 2f0x n GLY 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f0x s THR 54 N -2.00 1.68 -0.05 2.61 -4.23 -1.26 -3.91 115.64 108.47 2f0x s THR 54 Ca 0.00 -1.76 -0.36 0.00 -1.18 0.00 0.00 61.69 58.40 2f0x s THR 54 Cb 0.00 -2.43 -0.14 0.00 1.34 0.00 0.00 72.50 71.27 2f0x s THR 54 CO 0.00 0.00 1.72 -0.11 -0.54 0.00 0.00 174.62 175.69 2f0x n LEU 55 N -1.40 2.95 -4.71 4.79 7.94 0.19 -0.41 117.00 126.35 2f0x n LEU 55 Ca -0.08 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.44 2f0x n LEU 55 Cb 0.65 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 2f0x n LEU 55 CO 0.41 -0.29 1.04 -2.28 -1.11 0.00 0.00 177.39 175.16 2f0x s HIS 56 N 2.85 3.25 0.56 1.96 5.65 0.06 -4.69 115.29 124.92 2f0x s HIS 56 Ca 0.90 0.99 0.25 0.00 0.25 0.00 0.00 55.06 57.44 2f0x s HIS 56 Cb -0.80 -3.65 1.53 0.00 -1.18 0.00 0.00 32.58 28.49 2f0x s HIS 56 CO 0.51 -2.25 2.12 0.78 -0.65 0.00 0.00 174.74 175.25 2f0x h GLY 57 N 6.89 0.00 1.38 1.59 0.00 -1.90 -0.95 103.07 110.07 2f0x h GLY 57 Ca -0.42 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 2f0x h GLY 57 CO 0.86 0.00 -0.54 -1.33 0.00 0.00 0.00 176.54 175.53 2f0x h GLY 58 N 0.00 0.71 1.09 4.60 0.00 -1.97 -2.09 103.07 105.42 2f0x h GLY 58 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 2f0x h GLY 58 CO -0.00 0.74 -0.18 -2.00 0.00 0.00 0.00 176.54 175.10 2f0x h LEU 59 N 0.50 1.00 -0.70 3.11 5.85 -1.56 -0.62 115.31 122.89 2f0x h LEU 59 Ca 0.01 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2f0x h LEU 59 Cb 1.10 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 2f0x h LEU 59 CO 0.11 1.16 0.40 0.74 -0.34 0.00 0.00 178.44 180.50 2f0x h THR 60 N 0.84 0.98 -0.69 1.05 2.02 -1.23 0.63 112.91 116.50 2f0x h THR 60 Ca 0.12 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2f0x h THR 60 Cb 0.75 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2f0x h THR 60 CO 0.06 0.13 0.27 0.00 0.37 0.00 0.00 175.52 176.36 2f0x h ALA 61 N 1.36 0.90 -0.12 6.16 0.00 -1.01 0.64 119.26 127.19 2f0x h ALA 61 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2f0x h ALA 61 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2f0x h ALA 61 CO -0.18 0.53 0.06 1.15 0.00 0.00 0.00 179.25 180.81 2f0x h THR 62 N 0.99 1.12 -0.60 0.00 2.02 0.51 0.14 112.91 117.09 2f0x h THR 62 Ca 0.23 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 67.13 2f0x h THR 62 Cb 0.22 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 2f0x h THR 62 CO -0.02 0.10 0.31 -0.07 0.37 0.00 0.00 175.52 176.22 2f0x h LEU 63 N 0.07 0.45 -0.45 2.58 3.38 0.54 0.29 115.31 122.17 2f0x h LEU 63 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2f0x h LEU 63 Cb 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2f0x h LEU 63 CO -0.01 0.30 0.24 0.58 0.09 0.00 0.00 178.44 179.65 2f0x h VAL 64 N 0.59 1.16 0.58 1.22 2.07 -0.54 -0.84 116.25 120.50 2f0x h VAL 64 Ca 0.27 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2f0x h VAL 64 Cb 0.18 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2f0x h VAL 64 CO -0.18 0.17 -0.28 -0.78 0.02 0.00 0.00 177.57 176.52 2f0x h ASP 65 N 0.59 -0.66 -0.13 0.57 1.82 0.08 -1.57 116.42 117.13 2f0x h ASP 65 Ca 0.16 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.74 2f0x h ASP 65 Cb 0.06 0.17 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 2f0x h ASP 65 CO -0.02 -0.45 -0.17 0.78 -1.61 0.00 0.00 179.24 177.77 2f0x h ASN 66 N -0.81 0.38 0.49 2.28 2.35 -0.99 -1.98 115.58 117.31 2f0x h ASN 66 Ca -0.08 -0.51 -0.08 0.00 -0.55 0.00 0.00 56.30 55.08 2f0x h ASN 66 Cb 0.61 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2f0x h ASN 66 CO 0.13 0.81 -0.36 0.40 -1.65 0.00 0.00 177.43 176.76 2f0x h ILE 67 N -0.05 1.10 -0.63 2.81 2.04 -1.25 -1.38 117.51 120.15 2f0x h ILE 67 Ca 0.02 -1.30 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 2f0x h ILE 67 Cb 0.73 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.51 2f0x h ILE 67 CO 0.04 0.35 0.13 -1.28 0.00 0.00 0.00 178.15 177.39 2f0x h SER 68 N 0.00 0.98 0.00 1.72 0.87 -1.25 -2.39 113.55 113.48 2f0x h SER 68 Ca -0.00 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2f0x h SER 68 Cb 0.71 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2f0x h SER 68 CO 0.05 0.98 0.00 0.41 -0.53 0.00 0.00 176.83 177.74 2f0x n THR 69 N -4.29 0.23 0.00 2.23 -1.04 -0.52 -2.71 114.28 108.18 2f0x n THR 69 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2f0x n THR 69 Cb 0.27 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 2f0x n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2f0x n ALA 71 N 0.91 0.00 0.24 2.41 0.00 -0.90 -1.60 120.51 121.57 2f0x n ALA 71 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2f0x n ALA 71 Cb 0.11 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.13 2f0x n ALA 71 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2f0x h LEU 72 N 0.00 0.00 -0.33 0.00 3.38 -1.80 -0.84 115.31 115.71 2f0x h LEU 72 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f0x h LEU 72 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2f0x h LEU 72 CO 0.00 0.13 0.00 -0.07 0.09 0.00 0.00 178.44 178.59 2f0x h LEU 73 N 0.00 0.00 -2.28 1.67 3.38 -1.55 -2.77 115.31 113.75 2f0x h LEU 73 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2f0x h LEU 73 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2f0x h LEU 73 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2f0x s THR 75 N -1.41 2.67 0.11 0.00 2.01 -1.05 -3.01 115.64 114.96 2f0x s THR 75 Ca 0.40 -0.55 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 2f0x s THR 75 Cb 0.22 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 2f0x s THR 75 CO 0.24 -0.03 1.65 -0.08 -0.69 0.00 0.00 174.62 175.71 2f0x h GLU 76 N -0.07 0.43 -0.48 4.92 4.57 -1.91 -2.92 114.58 119.12 2f0x h GLU 76 Ca -0.43 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 2f0x h GLU 76 Cb 1.30 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 2f0x h GLU 76 CO 0.54 0.46 0.21 -0.09 -1.18 0.00 0.00 179.01 178.95 2f0x h ARG 77 N 0.31 0.71 -0.08 1.92 2.43 -1.94 -3.47 114.38 114.26 2f0x h ARG 77 Ca 0.09 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2f0x h ARG 77 Cb 0.19 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2f0x h ARG 77 CO -0.01 0.63 -0.03 0.41 -1.51 0.00 0.00 179.97 179.46 2f0x n GLY 78 N -0.83 0.45 3.66 2.80 0.00 -1.10 -5.00 105.19 105.17 2f0x n GLY 78 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2f0x n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f0x s ALA 79 N -1.74 3.56 0.12 4.61 0.00 -1.26 -4.62 121.76 122.43 2f0x s ALA 79 Ca 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 2f0x s ALA 79 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 2f0x s ALA 79 CO 0.00 -0.75 1.70 -1.00 0.00 0.00 0.00 175.76 175.71 2f0x h PRO 80 N 7.42 0.45 0.00 0.00 0.13 -1.88 -3.43 132.00 134.69 2f0x h PRO 80 Ca -0.27 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2f0x h PRO 80 Cb 1.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2f0x h PRO 80 CO 0.86 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.45 2f0x n GLY 81 N -0.86 -2.16 3.70 1.56 0.00 -1.26 -4.90 105.19 101.28 2f0x n GLY 81 Ca -0.02 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 2f0x n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0x s VAL 82 N -2.69 4.29 0.24 1.61 1.01 0.25 -4.86 120.40 120.25 2f0x s VAL 82 Ca 0.00 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2f0x s VAL 82 Cb 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 2f0x s VAL 82 CO 0.00 0.41 1.38 -0.44 0.00 0.00 0.00 175.10 176.45 2f0x s SER 83 N -1.48 6.75 -0.05 3.32 0.01 -1.26 0.33 113.70 121.32 2f0x s SER 83 Ca 0.19 2.58 -0.05 0.00 1.31 0.00 0.00 55.95 59.98 2f0x s SER 83 Cb -0.12 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 2f0x s SER 83 CO 0.10 -0.62 -0.11 0.52 0.41 0.00 0.00 173.24 173.53 2f0x n VAL 84 N 2.27 0.78 -4.25 3.43 0.31 -0.21 -4.81 118.33 115.85 2f0x n VAL 84 Ca 0.06 0.04 -0.17 0.00 -0.01 0.00 0.00 64.34 64.25 2f0x n VAL 84 Cb 0.41 -1.70 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 2f0x n VAL 84 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2f0x n ASP 85 N -3.54 -0.63 -3.63 4.52 8.00 -0.93 -5.01 116.55 115.32 2f0x n ASP 85 Ca -0.13 -2.96 -0.06 0.00 0.71 0.00 0.00 54.79 52.35 2f0x n ASP 85 Cb 0.46 1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 43.00 2f0x n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2f0x s ASN 87 N -3.08 -0.22 -0.02 -2.24 2.20 -0.89 -0.86 114.94 109.82 2f0x s ASN 87 Ca 0.36 0.37 0.01 0.00 -0.94 0.00 0.00 52.86 52.66 2f0x s ASN 87 Cb 0.02 0.35 0.02 0.00 -2.00 0.00 0.00 41.25 39.64 2f0x s ASN 87 CO 0.25 -0.12 -0.02 -0.63 -2.94 0.00 0.00 177.10 173.64 2f0x s ILE 88 N -0.32 0.25 -0.17 0.54 1.01 -1.26 -1.74 121.20 119.51 2f0x s ILE 88 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 2f0x s ILE 88 Cb -0.03 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 2f0x s ILE 88 CO -0.08 0.13 -0.10 -0.89 0.00 0.00 0.00 174.94 174.00 2f0x s THR 89 N 0.60 3.10 0.17 2.92 2.01 -0.09 -4.98 115.64 119.37 2f0x s THR 89 Ca -0.06 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2f0x s THR 89 Cb -0.09 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2f0x s THR 89 CO -0.01 0.48 0.27 -0.31 -0.69 0.00 0.00 174.62 174.37 2f0x s TYR 90 N 0.94 3.42 0.41 4.92 1.51 -1.26 -1.38 117.35 125.90 2f0x s TYR 90 Ca -0.02 0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 55.84 2f0x s TYR 90 Cb -0.15 -1.62 -0.10 0.00 -0.11 0.00 0.00 41.96 39.99 2f0x s TYR 90 CO -0.00 0.50 1.46 -1.54 -1.11 0.00 0.00 175.55 174.86 2f0x s SER 92 N -3.36 6.12 0.61 2.29 1.04 -0.86 -5.00 113.70 114.53 2f0x s SER 92 Ca 0.34 2.99 -0.17 0.00 0.48 0.00 0.00 55.95 59.58 2f0x s SER 92 Cb -0.10 -2.66 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 2f0x s SER 92 CO 0.28 -1.02 1.13 -2.84 0.98 0.00 0.00 173.24 171.78 2f0x s PRO 93 N -2.26 3.02 -0.35 4.02 0.02 -1.26 -4.51 135.00 133.68 2f0x s PRO 93 Ca 0.57 1.56 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 2f0x s PRO 93 Cb -0.45 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.17 2f0x s PRO 93 CO 0.60 -1.10 0.11 0.00 -0.33 0.00 0.00 177.00 176.27 2f0x s ALA 94 N -1.99 3.01 0.77 -1.55 0.00 -1.26 -4.99 121.76 115.75 2f0x s ALA 94 Ca 0.71 -2.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 2f0x s ALA 94 Cb -0.24 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.72 2f0x s ALA 94 CO 0.34 -1.48 1.08 0.15 0.00 0.00 0.00 175.76 175.85 2f0x s LYS 95 N 1.26 2.32 0.35 0.00 3.01 -1.26 -0.64 119.74 124.77 2f0x s LYS 95 Ca 0.00 0.94 -0.29 0.00 -1.01 0.00 0.00 55.97 55.61 2f0x s LYS 95 Cb -0.21 -1.92 -0.11 0.00 -1.01 0.00 0.00 37.83 34.58 2f0x s LYS 95 CO -0.01 -1.54 1.54 -1.17 0.51 0.00 0.00 175.35 174.69 2f0x s LEU 96 N -5.81 4.32 0.00 3.17 0.20 -1.25 -1.82 118.68 117.49 2f0x s LEU 96 Ca 0.60 3.03 0.00 0.00 0.69 0.00 0.00 54.13 58.46 2f0x s LEU 96 Cb -0.16 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 41.95 2f0x s LEU 96 CO 0.55 -0.91 0.00 0.61 -0.29 0.00 0.00 176.35 176.31 2f0x n GLY 97 N 1.15 2.84 3.75 7.98 0.00 0.10 -4.98 105.19 116.02 2f0x n GLY 97 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2f0x n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f0x s GLU 98 N -0.28 4.50 0.03 1.61 2.12 -0.76 -4.61 118.70 121.31 2f0x s GLU 98 Ca 0.00 1.92 -0.17 0.00 0.36 0.00 0.00 54.97 57.07 2f0x s GLU 98 Cb 0.00 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 31.13 2f0x s GLU 98 CO 0.00 -0.03 0.49 -0.51 -0.54 0.00 0.00 175.26 174.67 2f0x s ASP 99 N -0.20 6.93 0.15 -1.70 1.01 -1.26 -0.46 116.67 121.14 2f0x s ASP 99 Ca 0.50 1.10 0.06 0.00 0.71 0.00 0.00 52.55 54.93 2f0x s ASP 99 Cb -0.34 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2f0x s ASP 99 CO 0.40 0.28 -0.14 0.27 0.21 0.00 0.00 175.17 176.19 2f0x s ILE 100 N -1.00 1.46 -0.12 0.77 -4.36 -1.26 -1.63 121.20 115.06 2f0x s ILE 100 Ca 0.26 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.80 2f0x s ILE 100 Cb -0.18 -1.71 -0.00 0.00 1.25 0.00 0.00 42.46 41.82 2f0x s ILE 100 CO 0.16 -0.47 -0.19 -0.69 0.24 0.00 0.00 174.94 173.99 2f0x s VAL 101 N -2.41 2.48 -0.32 8.37 1.01 0.18 -4.33 120.40 125.37 2f0x s VAL 101 Ca 0.13 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2f0x s VAL 101 Cb -0.03 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2f0x s VAL 101 CO 0.04 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.14 2f0x s ILE 102 N 0.42 3.73 -0.22 2.22 1.09 0.58 -0.35 121.20 128.65 2f0x s ILE 102 Ca -0.14 -1.06 -0.03 0.00 -1.10 0.00 0.00 60.65 58.32 2f0x s ILE 102 Cb -0.17 -3.07 0.01 0.00 -1.06 0.00 0.00 42.46 38.17 2f0x s ILE 102 CO 0.06 -0.11 -0.07 -0.89 -0.10 0.00 0.00 174.94 173.83 2f0x s THR 103 N 1.41 3.03 -0.06 2.92 2.01 0.24 -1.03 115.64 124.15 2f0x s THR 103 Ca -0.01 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.32 2f0x s THR 103 Cb -0.19 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2f0x s THR 103 CO 0.02 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.17 2f0x s ALA 104 N 1.41 2.53 0.02 7.40 0.00 -0.28 -0.44 121.76 132.40 2f0x s ALA 104 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2f0x s ALA 104 Cb -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2f0x s ALA 104 CO -0.05 0.47 -0.18 -1.01 0.00 0.00 0.00 175.76 174.99 2f0x s HIS 105 N -0.42 1.64 -0.27 0.00 3.76 0.24 -1.65 115.29 118.59 2f0x s HIS 105 Ca 0.05 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.43 2f0x s HIS 105 Cb -0.12 -1.01 -0.02 0.00 1.11 0.00 0.00 32.58 32.54 2f0x s HIS 105 CO 0.02 0.03 0.58 0.08 -0.85 0.00 0.00 174.74 174.60 2f0x s VAL 106 N -0.63 5.01 -0.05 -0.90 1.01 0.23 -1.30 120.40 123.77 2f0x s VAL 106 Ca 0.06 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 2f0x s VAL 106 Cb -0.08 -3.90 -0.31 0.00 0.00 0.00 0.00 36.38 32.09 2f0x s VAL 106 CO 0.01 0.02 0.69 -0.07 0.00 0.00 0.00 175.10 175.74 2f0x h LEU 107 N 8.91 0.59 -7.00 3.92 3.38 -1.41 -3.49 115.31 120.21 2f0x h LEU 107 Ca -0.28 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 56.86 2f0x h LEU 107 Cb 1.13 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.53 2f0x h LEU 107 CO 0.75 1.73 0.45 -0.75 0.09 0.00 0.00 178.44 180.71 2f0x s LYS 108 N -2.55 0.87 -0.28 1.13 2.47 -1.16 -5.00 119.74 115.22 2f0x s LYS 108 Ca -0.16 -0.28 -0.20 0.00 -1.56 0.00 0.00 55.97 53.77 2f0x s LYS 108 Cb 0.05 0.40 0.11 0.00 -1.46 0.00 0.00 37.83 36.93 2f0x s LYS 108 CO 0.84 -0.37 0.88 1.14 0.16 0.00 0.00 175.35 178.00 2f0x s GLN 109 N -3.01 0.57 0.00 4.03 -2.07 -1.26 0.03 119.66 117.95 2f0x s GLN 109 Ca 0.04 0.84 0.00 0.00 -1.82 0.00 0.00 55.36 54.41 2f0x s GLN 109 Cb -0.01 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2f0x s GLN 109 CO -0.08 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.20 2f0x n GLY 110 N 3.28 4.52 0.22 2.60 0.00 0.11 -4.97 105.19 110.96 2f0x n GLY 110 Ca -0.17 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2f0x n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0x h LYS 111 N 0.00 0.74 0.00 1.61 1.79 -2.02 -3.38 116.57 115.31 2f0x h LYS 111 Ca 0.00 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2f0x h LYS 111 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 2f0x h LYS 111 CO 0.00 0.94 0.00 0.25 -1.08 0.00 0.00 179.45 179.56 2f0x n THR 112 N -4.31 0.00 -4.20 -0.16 -2.24 -1.26 -4.74 114.28 97.37 2f0x n THR 112 Ca -0.02 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 2f0x n THR 112 Cb 0.41 1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.51 2f0x n THR 112 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f0x s LEU 113 N -1.14 1.56 -0.01 3.22 1.02 -1.26 -1.23 118.68 120.84 2f0x s LEU 113 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 54.07 2f0x s LEU 113 Cb 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.78 2f0x s LEU 113 CO 0.00 -0.01 -0.16 0.00 0.02 0.00 0.00 176.35 176.21 2f0x s ALA 114 N 0.54 1.30 -0.02 4.21 0.00 -0.78 0.09 121.76 127.11 2f0x s ALA 114 Ca -0.07 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.29 2f0x s ALA 114 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2f0x s ALA 114 CO 0.00 0.32 -0.24 -0.06 0.00 0.00 0.00 175.76 175.78 2f0x s PHE 115 N -0.36 2.21 0.17 0.00 0.40 0.10 -0.72 117.98 119.79 2f0x s PHE 115 Ca 0.06 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.97 2f0x s PHE 115 Cb -0.06 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 2f0x s PHE 115 CO -0.01 -0.06 -0.05 0.95 0.70 0.00 0.00 175.22 176.75 2f0x s THR 116 N -0.51 1.01 -0.02 0.64 -4.23 0.12 -1.01 115.64 111.64 2f0x s THR 116 Ca 0.08 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 2f0x s THR 116 Cb -0.10 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.72 2f0x s THR 116 CO -0.00 -0.58 -0.06 -0.55 -0.54 0.00 0.00 174.62 172.89 2f0x s SER 117 N -3.20 0.85 -0.06 3.99 0.15 -0.42 -0.51 113.70 114.50 2f0x s SER 117 Ca 0.21 -0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.74 2f0x s SER 117 Cb 0.04 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 2f0x s SER 117 CO 0.03 0.01 -0.03 -0.69 1.20 0.00 0.00 173.24 173.76 2f0x s VAL 118 N 0.39 0.52 -0.15 4.45 1.01 -0.00 -0.59 120.40 126.04 2f0x s VAL 118 Ca -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2f0x s VAL 118 Cb -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2f0x s VAL 118 CO -0.00 0.25 -0.04 -1.81 0.00 0.00 0.00 175.10 173.51 2f0x s ASP 119 N 1.42 4.79 -0.22 3.32 1.01 0.41 -1.10 116.67 126.31 2f0x s ASP 119 Ca -0.03 -0.12 -0.10 0.00 0.71 0.00 0.00 52.55 53.02 2f0x s ASP 119 Cb -0.13 -1.74 -0.05 0.00 1.01 0.00 0.00 42.92 42.01 2f0x s ASP 119 CO -0.03 0.19 0.13 -0.76 0.21 0.00 0.00 175.17 174.91 2f0x s LEU 120 N 0.25 4.03 0.09 1.23 2.01 -0.27 -0.59 118.68 125.43 2f0x s LEU 120 Ca -0.03 0.11 0.05 0.00 0.01 0.00 0.00 54.13 54.27 2f0x s LEU 120 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 46.19 43.97 2f0x s LEU 120 CO 0.03 0.11 -0.13 0.42 1.01 0.00 0.00 176.35 177.79 2f0x s THR 121 N 0.79 1.12 -0.25 5.49 -4.23 0.52 -0.40 115.64 118.67 2f0x s THR 121 Ca 0.07 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 58.80 2f0x s THR 121 Cb -0.13 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.46 2f0x s THR 121 CO 0.02 -0.35 1.32 0.21 -0.54 0.00 0.00 174.62 175.28 2f0x s ASN 122 N -2.08 6.73 0.32 3.99 3.84 0.25 0.49 114.94 128.47 2f0x s ASN 122 Ca 0.02 1.40 0.08 0.00 0.21 0.00 0.00 52.86 54.57 2f0x s ASN 122 Cb -0.07 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 38.88 2f0x s ASN 122 CO 0.02 -1.00 1.78 0.50 -2.79 0.00 0.00 177.10 175.61 2f0x h LYS 123 N 9.11 0.69 0.09 0.43 3.64 -1.61 1.25 116.57 130.17 2f0x h LYS 123 Ca -0.27 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 58.81 2f0x h LYS 123 Cb 1.11 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2f0x h LYS 123 CO 1.01 0.46 -1.16 0.00 -2.27 0.00 0.00 179.45 177.49 2f0x h ALA 124 N 1.64 0.18 0.00 5.00 0.00 -1.91 -3.37 119.26 120.81 2f0x h ALA 124 Ca 0.57 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2f0x h ALA 124 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2f0x h ALA 124 CO -0.36 1.02 -1.26 0.25 0.00 0.00 0.00 179.25 178.90 2f0x n THR 125 N -3.51 0.00 -0.73 0.00 -2.24 -1.04 -4.97 114.28 101.80 2f0x n THR 125 Ca -0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2f0x n THR 125 Cb 0.99 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 2f0x n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f0x n GLY 126 N 1.60 1.18 3.76 3.38 0.00 0.43 -4.96 105.19 110.57 2f0x n GLY 126 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2f0x n GLY 126 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2f0x n LYS 127 N -2.00 2.70 -2.26 1.61 -0.00 -1.25 -4.50 118.16 112.46 2f0x n LYS 127 Ca 0.00 0.96 -0.43 0.00 -0.00 0.00 0.00 58.31 58.84 2f0x n LYS 127 Cb 0.00 -2.72 -0.02 0.00 -0.00 0.00 0.00 35.03 32.28 2f0x n LYS 127 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2f0x s LEU 128 N -1.03 4.25 -0.19 -5.58 2.96 -1.26 -0.58 118.68 117.24 2f0x s LEU 128 Ca 0.60 1.92 -0.15 0.00 -0.22 0.00 0.00 54.13 56.28 2f0x s LEU 128 Cb -0.49 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.46 2f0x s LEU 128 CO 0.54 -0.81 0.20 -0.38 -1.32 0.00 0.00 176.35 174.58 2f0x n ILE 129 N 5.31 1.62 -3.50 6.68 5.41 0.46 -3.83 119.36 131.51 2f0x n ILE 129 Ca 0.15 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.51 2f0x n ILE 129 Cb 0.44 -1.90 -0.02 0.00 -0.71 0.00 0.00 39.64 37.45 2f0x n ILE 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2f0x s ALA 130 N -2.45 -1.68 -0.05 -1.39 0.00 -1.15 -2.03 121.76 113.01 2f0x s ALA 130 Ca -0.28 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 2f0x s ALA 130 Cb 0.07 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2f0x s ALA 130 CO 0.64 -0.77 0.11 -1.14 0.00 0.00 0.00 175.76 174.61 2f0x s GLN 131 N -3.45 0.08 0.07 0.00 0.74 -0.48 -1.11 119.66 115.51 2f0x s GLN 131 Ca 0.04 0.28 0.05 0.00 0.05 0.00 0.00 55.36 55.78 2f0x s GLN 131 Cb -0.01 -0.12 -0.03 0.00 1.10 0.00 0.00 33.01 33.95 2f0x s GLN 131 CO -0.09 -0.12 -0.14 0.20 -0.55 0.00 0.00 175.29 174.59 2f0x s GLY 132 N 0.83 0.85 -0.03 2.59 0.00 -0.26 -0.91 107.32 110.39 2f0x s GLY 132 Ca -0.06 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.74 2f0x s GLY 132 CO -0.04 -1.01 -0.22 -1.60 0.00 0.00 0.00 173.10 170.24 2f0x s ARG 133 N -1.70 2.27 -0.08 2.90 3.52 -0.71 -0.82 118.95 124.33 2f0x s ARG 133 Ca -0.02 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 2f0x s ARG 133 Cb -0.10 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.14 2f0x s ARG 133 CO 0.02 0.57 -0.11 -1.58 -0.81 0.00 0.00 175.30 173.40 2f0x s HIS 134 N -0.63 1.48 -0.19 5.12 2.46 0.33 -2.09 115.29 121.76 2f0x s HIS 134 Ca 0.10 -0.62 -0.04 0.00 0.47 0.00 0.00 55.06 54.97 2f0x s HIS 134 Cb -0.10 -1.13 -0.02 0.00 -0.13 0.00 0.00 32.58 31.19 2f0x s HIS 134 CO -0.00 -0.36 -0.02 0.99 -2.47 0.00 0.00 174.74 172.88 2f0x s THR 135 N 1.01 3.84 0.15 0.89 2.01 -0.04 0.15 115.64 123.64 2f0x s THR 135 Ca -0.08 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.64 2f0x s THR 135 Cb -0.15 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2f0x s THR 135 CO -0.00 0.44 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.65 2f0x s LYS 136 N 0.94 1.21 -0.14 4.92 1.02 0.10 -1.04 119.74 126.75 2f0x s LYS 136 Ca 0.01 -1.34 -0.09 0.00 0.02 0.00 0.00 55.97 54.57 2f0x s LYS 136 Cb -0.14 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 2f0x s LYS 136 CO 0.02 0.26 0.16 -1.58 -0.92 0.00 0.00 175.35 173.29 2f0x s HIS 137 N -1.93 3.55 0.00 3.18 5.65 0.15 -1.87 115.29 124.03 2f0x s HIS 137 Ca 0.13 0.51 0.00 0.00 0.25 0.00 0.00 55.06 55.95 2f0x s HIS 137 Cb -0.06 -2.04 0.00 0.00 -1.18 0.00 0.00 32.58 29.30 2f0x s HIS 137 CO 0.06 0.59 0.46 1.28 -0.65 0.00 0.00 174.74 176.47