#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 n GLN 2 N 0.00 -3.04 -3.23 2.12 7.27 -1.26 -4.68 117.38 114.55 1cf4 n GLN 2 Ca 0.00 2.49 -0.15 0.00 0.07 0.00 0.00 57.00 59.40 1cf4 n GLN 2 Cb 0.00 -3.62 -0.03 0.00 2.41 0.00 0.00 30.24 29.00 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1cf4 n THR 3 N -4.24 0.00 -3.64 1.69 -1.04 -1.26 -4.97 114.28 100.82 1cf4 n THR 3 Ca -0.09 -1.13 -0.16 0.00 -2.04 0.00 0.00 64.05 60.64 1cf4 n THR 3 Cb 0.63 0.20 -0.07 0.00 -1.82 0.00 0.00 70.33 69.27 1cf4 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1cf4 s ILE 4 N -1.84 0.03 -0.34 12.58 -4.36 -1.26 -3.96 121.20 122.04 1cf4 s ILE 4 Ca 0.01 -0.21 -0.01 0.00 -0.26 0.00 0.00 60.65 60.18 1cf4 s ILE 4 Cb -0.00 -0.81 0.12 0.00 1.25 0.00 0.00 42.46 43.01 1cf4 s ILE 4 CO 0.00 -0.12 0.16 -0.54 0.24 0.00 0.00 174.94 174.68 1cf4 s LYS 5 N -1.18 0.71 -0.13 0.37 1.02 -1.26 -4.49 119.74 114.79 1cf4 s LYS 5 Ca -0.12 -1.23 -0.07 0.00 0.02 0.00 0.00 55.97 54.57 1cf4 s LYS 5 Cb -0.03 -1.79 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1cf4 s LYS 5 CO 0.07 -1.07 0.13 0.00 -0.92 0.00 0.00 175.35 173.56 1cf4 s VAL 7 N -0.84 0.83 -0.08 0.00 1.01 -1.25 -4.07 120.40 116.00 1cf4 s VAL 7 Ca 0.14 -1.97 0.01 0.00 0.00 0.00 0.00 61.98 60.16 1cf4 s VAL 7 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1cf4 s VAL 7 CO 0.03 -0.83 -0.09 -0.69 0.00 0.00 0.00 175.10 173.52 1cf4 s VAL 8 N -3.54 3.48 -0.28 2.92 1.01 -1.26 -4.03 120.40 118.70 1cf4 s VAL 8 Ca 0.13 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1cf4 s VAL 8 Cb 0.05 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 34.09 1cf4 s VAL 8 CO -0.03 0.58 0.73 0.68 0.00 0.00 0.00 175.10 177.06 1cf4 s VAL 9 N -0.52 0.00 -2.01 2.92 -7.23 -1.23 -4.93 120.40 107.42 1cf4 s VAL 9 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1cf4 s VAL 9 Cb -0.12 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.82 1cf4 s VAL 9 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1cf4 n GLY 10 N 4.22 0.08 0.42 2.32 0.00 -1.26 -4.13 105.19 106.84 1cf4 n GLY 10 Ca -0.20 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 44.87 1cf4 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cf4 n ASP 11 N 0.00 1.85 -0.02 1.61 5.68 -1.26 -5.03 116.55 119.37 1cf4 n ASP 11 Ca 0.00 -3.36 0.00 0.00 -0.50 0.00 0.00 54.79 50.93 1cf4 n ASP 11 Cb 0.00 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1cf4 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cf4 n GLY 12 N -1.11 3.28 0.09 6.12 0.00 -1.26 -4.92 105.19 107.39 1cf4 n GLY 12 Ca 0.16 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1cf4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf4 h ALA 13 N 1.87 -0.02 0.00 4.61 0.00 -1.98 -3.47 119.26 120.28 1cf4 h ALA 13 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1cf4 h ALA 13 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cf4 h ALA 13 CO 0.00 0.11 0.00 1.33 0.00 0.00 0.00 179.25 180.69 1cf4 n VAL 14 N -4.47 0.00 -1.88 0.00 0.24 -1.26 -1.67 118.33 109.30 1cf4 n VAL 14 Ca -0.11 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.14 1cf4 n VAL 14 Cb 0.57 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.89 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cf4 n GLY 15 N 0.00 0.24 0.00 7.63 0.00 -1.26 -4.82 105.19 106.98 1cf4 n GLY 15 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cf4 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cf4 n LYS 16 N -0.03 1.28 -0.17 1.61 4.76 -0.67 -4.55 118.16 120.39 1cf4 n LYS 16 Ca -0.20 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.20 1cf4 n LYS 16 Cb 0.58 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.73 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1cf4 n THR 17 N -0.77 -0.27 -0.21 -0.18 -2.24 -1.26 -1.37 114.28 107.99 1cf4 n THR 17 Ca 0.00 1.78 0.14 0.00 -2.27 0.00 0.00 64.05 63.70 1cf4 n THR 17 Cb 0.00 -2.28 0.27 0.00 -2.10 0.00 0.00 70.33 66.21 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 n LEU 19 N -4.62 0.00 -0.05 0.00 4.32 -0.47 -1.63 117.00 114.55 1cf4 n LEU 19 Ca 0.19 0.91 -0.13 0.00 -0.02 0.00 0.00 56.01 56.96 1cf4 n LEU 19 Cb 0.62 -0.41 -0.12 0.00 -1.62 0.00 0.00 43.42 41.89 1cf4 n LEU 19 CO -0.02 -0.41 0.46 -0.07 -1.22 0.00 0.00 177.39 176.13 1cf4 h LEU 20 N 0.00 -0.01 -0.34 2.23 -0.00 -1.30 -2.71 115.31 113.19 1cf4 h LEU 20 Ca 0.00 -0.80 0.07 0.00 -0.00 0.00 0.00 57.88 57.14 1cf4 h LEU 20 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 1cf4 h LEU 20 CO 0.00 0.81 -0.38 0.40 -0.00 0.00 0.00 178.44 179.27 1cf4 h ILE 21 N -0.83 0.17 -0.48 1.22 1.08 0.14 -1.92 117.51 116.88 1cf4 h ILE 21 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1cf4 h ILE 21 Cb 0.81 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1cf4 h ILE 21 CO 0.00 0.00 0.15 -1.28 -0.69 0.00 0.00 178.15 176.33 1cf4 h SER 22 N -0.33 0.70 -1.21 1.72 0.87 -1.33 1.63 113.55 115.61 1cf4 h SER 22 Ca 0.14 -0.21 0.36 0.00 -1.23 0.00 0.00 61.79 60.85 1cf4 h SER 22 Cb 0.57 -0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.25 1cf4 h SER 22 CO -0.52 0.72 0.80 0.22 -0.53 0.00 0.00 176.83 177.53 1cf4 h TYR 23 N 0.65 0.49 0.00 2.24 5.03 -1.02 -0.59 116.97 123.77 1cf4 h TYR 23 Ca 0.16 0.02 -0.35 0.00 2.58 0.00 0.00 58.73 61.14 1cf4 h TYR 23 Cb 0.27 -0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.36 1cf4 h TYR 23 CO 0.01 -0.06 -2.30 2.41 -1.32 0.00 0.00 178.16 176.91 1cf4 n THR 24 N -4.56 1.31 0.00 1.81 -1.04 -0.92 -5.04 114.28 105.83 1cf4 n THR 24 Ca 0.31 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 1cf4 n THR 24 Cb 1.19 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1cf4 n THR 24 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1cf4 n THR 25 N -2.87 0.00 0.00 12.58 -1.04 0.55 -5.07 114.28 118.43 1cf4 n THR 25 Ca -0.34 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1cf4 n THR 25 Cb 1.05 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 1cf4 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1cf4 n ASN 26 N 0.00 0.00 -1.28 8.00 5.15 -1.25 -3.42 115.26 122.45 1cf4 n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1cf4 n ASN 26 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1cf4 n ASN 26 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1cf4 n LYS 27 N 0.00 -3.62 -0.09 1.20 5.02 -1.26 -4.74 118.16 114.67 1cf4 n LYS 27 Ca 0.00 2.72 -0.20 0.00 -2.02 0.00 0.00 58.31 58.82 1cf4 n LYS 27 Cb 0.00 -3.13 -0.12 0.00 -0.02 0.00 0.00 35.03 31.76 1cf4 n LYS 27 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1cf4 h PHE 28 N 1.08 0.03 0.00 2.13 3.04 -1.99 -3.39 116.94 117.85 1cf4 h PHE 28 Ca 0.00 -0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.64 1cf4 h PHE 28 Cb 0.16 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 1cf4 h PHE 28 CO 0.01 1.35 0.53 -2.30 -2.02 0.00 0.00 178.31 175.88 1cf4 n PRO 29 N -4.44 2.29 0.00 6.41 -0.02 -1.26 -4.56 135.00 133.41 1cf4 n PRO 29 Ca -0.25 -1.22 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 1cf4 n PRO 29 Cb 0.64 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1cf4 n PRO 29 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1cf4 n SER 30 N 2.75 0.00 -3.59 2.55 3.41 -1.26 -5.16 113.62 112.33 1cf4 n SER 30 Ca 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1cf4 n SER 30 Cb 0.75 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1cf4 s GLU 31 N 1.87 0.57 -0.23 4.33 -1.05 -1.26 -5.14 118.70 117.79 1cf4 s GLU 31 Ca 0.00 1.38 -0.20 0.00 -0.15 0.00 0.00 54.97 56.01 1cf4 s GLU 31 Cb 0.00 0.81 -0.02 0.00 -0.44 0.00 0.00 34.13 34.47 1cf4 s GLU 31 CO 0.00 -0.25 0.58 0.71 0.95 0.00 0.00 175.26 177.25 1cf4 s TYR 32 N 2.88 3.31 0.38 4.83 1.51 -1.26 -4.76 117.35 124.24 1cf4 s TYR 32 Ca -0.02 0.79 0.00 0.00 -1.01 0.00 0.00 57.07 56.83 1cf4 s TYR 32 Cb -0.12 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 1cf4 s TYR 32 CO -0.19 -0.24 0.00 0.28 -1.11 0.00 0.00 175.55 174.29 1cf4 n VAL 33 N 4.96 0.00 -0.43 0.71 0.31 -1.26 -4.95 118.33 117.68 1cf4 n VAL 33 Ca -0.02 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.65 1cf4 n VAL 33 Cb 0.50 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.96 1cf4 n VAL 33 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cf4 n PRO 34 N -3.27 0.00 -0.19 5.55 -0.01 -1.26 -2.46 135.00 133.37 1cf4 n PRO 34 Ca 0.00 0.80 0.17 0.00 -0.01 0.00 0.00 63.50 64.46 1cf4 n PRO 34 Cb 0.00 -1.89 0.30 0.00 -0.01 0.00 0.00 33.50 31.90 1cf4 n PRO 34 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1cf4 n THR 35 N -3.24 -0.17 0.10 3.45 -1.04 -1.26 0.18 114.28 112.30 1cf4 n THR 35 Ca 0.29 0.95 0.20 0.00 -2.04 0.00 0.00 64.05 63.44 1cf4 n THR 35 Cb 1.42 -1.54 0.68 0.00 -1.82 0.00 0.00 70.33 69.06 1cf4 n THR 35 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1cf4 h VAL 36 N 0.00 0.22 0.00 12.58 3.04 -1.68 0.53 116.25 130.94 1cf4 h VAL 36 Ca 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 1cf4 h VAL 36 Cb 1.21 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1cf4 h VAL 36 CO -0.32 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.73 1cf4 n PHE 37 N -3.42 0.00 -0.76 3.17 3.72 0.47 -4.81 117.46 115.83 1cf4 n PHE 37 Ca 0.08 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.19 1cf4 n PHE 37 Cb 0.74 -0.50 0.10 0.00 -0.94 0.00 0.00 39.48 38.88 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1cf4 n ASP 38 N -1.50 -2.68 0.00 4.37 5.68 0.19 -3.37 116.55 119.23 1cf4 n ASP 38 Ca 0.02 -0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1cf4 n ASP 38 Cb 0.10 -0.71 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1cf4 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cf4 n ASN 39 N 0.66 -2.00 -3.10 -1.12 2.85 -1.26 -5.01 115.26 106.27 1cf4 n ASN 39 Ca 0.01 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.33 1cf4 n ASN 39 Cb 0.56 -0.91 0.14 0.00 1.24 0.00 0.00 39.78 40.81 1cf4 n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cf4 n TYR 40 N -2.42 -2.91 -4.12 1.20 0.18 -1.22 -5.00 117.16 102.88 1cf4 n TYR 40 Ca 0.00 -0.41 -0.35 0.00 1.88 0.00 0.00 57.90 59.03 1cf4 n TYR 40 Cb 0.06 -0.61 -0.13 0.00 -0.38 0.00 0.00 39.34 38.28 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1cf4 s ALA 41 N -2.09 2.92 -0.15 -3.48 0.00 -1.26 -5.02 121.76 112.68 1cf4 s ALA 41 Ca 0.33 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1cf4 s ALA 41 Cb -0.06 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.39 1cf4 s ALA 41 CO 0.28 -0.17 -0.19 0.14 0.00 0.00 0.00 175.76 175.82 1cf4 s VAL 42 N 1.03 2.32 -0.51 0.00 -7.23 -1.26 -5.09 120.40 109.66 1cf4 s VAL 42 Ca 0.01 -0.89 -0.19 0.00 -1.81 0.00 0.00 61.98 59.10 1cf4 s VAL 42 Cb -0.15 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.91 1cf4 s VAL 42 CO 0.01 0.53 0.62 0.28 -0.31 0.00 0.00 175.10 176.23 1cf4 s THR 43 N 0.85 4.90 0.28 5.32 -1.32 -1.26 -4.67 115.64 119.73 1cf4 s THR 43 Ca -0.06 -0.59 -0.05 0.00 -1.21 0.00 0.00 61.69 59.78 1cf4 s THR 43 Cb -0.15 -4.31 0.02 0.00 -1.51 0.00 0.00 72.50 66.55 1cf4 s THR 43 CO -0.02 -0.83 0.45 1.33 -2.21 0.00 0.00 174.62 173.35 1cf4 n VAL 44 N 5.58 0.00 -3.77 5.08 0.24 -1.26 -5.13 118.33 119.07 1cf4 n VAL 44 Ca -0.07 -1.09 -0.37 0.00 -2.04 0.00 0.00 64.34 60.77 1cf4 n VAL 44 Cb 0.45 0.79 -0.12 0.00 -1.47 0.00 0.00 33.84 33.49 1cf4 n VAL 44 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1cf4 s MET 45 N -2.38 2.25 -1.06 7.34 1.75 -1.26 -2.92 119.30 123.02 1cf4 s MET 45 Ca 0.18 -1.59 -0.23 0.00 -1.25 0.00 0.00 55.69 52.80 1cf4 s MET 45 Cb -0.02 -3.53 -0.01 0.00 2.84 0.00 0.00 34.83 34.11 1cf4 s MET 45 CO 0.13 -0.93 1.78 0.42 -0.65 0.00 0.00 175.02 175.77 1cf4 s ILE 46 N 1.24 3.70 0.00 10.11 -1.09 -0.95 -4.82 121.20 129.39 1cf4 s ILE 46 Ca 0.04 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1cf4 s ILE 46 Cb -0.22 -4.60 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 1cf4 s ILE 46 CO -0.02 -1.38 0.00 0.61 -1.23 0.00 0.00 174.94 172.92 1cf4 n GLY 47 N 6.38 0.49 0.00 6.18 0.00 -1.26 -3.51 105.19 113.47 1cf4 n GLY 47 Ca 0.41 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1cf4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf4 n GLY 48 N 0.00 -0.88 3.44 -0.02 0.00 -1.26 -4.82 105.19 101.64 1cf4 n GLY 48 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1cf4 n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cf4 s GLU 49 N -0.26 1.57 -0.41 1.61 -1.05 -1.23 -5.00 118.70 113.94 1cf4 s GLU 49 Ca 0.00 -1.80 -0.31 0.00 -0.15 0.00 0.00 54.97 52.71 1cf4 s GLU 49 Cb 0.00 -1.20 -0.10 0.00 -0.44 0.00 0.00 34.13 32.39 1cf4 s GLU 49 CO 0.00 0.05 2.30 -2.30 0.95 0.00 0.00 175.26 176.26 1cf4 n PRO 50 N -0.60 1.19 -3.61 -4.83 -0.02 -1.26 -3.34 135.00 122.53 1cf4 n PRO 50 Ca -0.05 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 1cf4 n PRO 50 Cb 0.63 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1cf4 s TYR 51 N 8.86 -0.26 0.05 6.00 6.14 -1.15 -4.90 117.35 132.10 1cf4 s TYR 51 Ca 1.07 0.48 0.01 0.00 0.64 0.00 0.00 57.07 59.28 1cf4 s TYR 51 Cb -0.61 0.46 -0.03 0.00 0.42 0.00 0.00 41.96 42.20 1cf4 s TYR 51 CO 0.40 -0.21 -0.06 0.95 0.64 0.00 0.00 175.55 177.28 1cf4 s THR 52 N -0.82 0.42 0.40 4.34 -4.23 -1.26 -2.24 115.64 112.24 1cf4 s THR 52 Ca 0.03 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.21 1cf4 s THR 52 Cb -0.02 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.87 1cf4 s THR 52 CO -0.04 -0.63 0.14 -1.48 -0.54 0.00 0.00 174.62 172.08 1cf4 s LEU 53 N -2.12 1.96 -0.28 4.79 -0.00 -1.26 -5.05 118.68 116.71 1cf4 s LEU 53 Ca -0.03 -1.68 -0.29 0.00 -0.00 0.00 0.00 54.13 52.13 1cf4 s LEU 53 Cb -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 46.19 46.12 1cf4 s LEU 53 CO -0.03 -0.94 1.39 -0.83 -0.00 0.00 0.00 176.35 175.94 1cf4 s GLY 54 N -3.58 1.33 -0.07 -3.48 0.00 -1.26 -4.91 107.32 95.34 1cf4 s GLY 54 Ca 0.26 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 1cf4 s GLY 54 CO 0.16 2.71 -0.01 1.41 0.00 0.00 0.00 173.10 177.36 1cf4 h LEU 55 N 11.15 0.00 -7.42 0.66 4.07 -1.92 -3.18 115.31 118.68 1cf4 h LEU 55 Ca -0.28 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.42 1cf4 h LEU 55 Cb 1.11 0.00 -0.33 0.00 1.08 0.00 0.00 40.66 42.53 1cf4 h LEU 55 CO 1.03 0.37 -0.62 0.72 -1.08 0.00 0.00 178.44 178.85 1cf4 s PHE 56 N -1.44 -0.13 -0.19 1.13 -0.12 -1.26 -3.85 117.98 112.12 1cf4 s PHE 56 Ca -0.01 0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 57.26 1cf4 s PHE 56 Cb 0.00 -0.13 0.08 0.00 -0.63 0.00 0.00 43.02 42.34 1cf4 s PHE 56 CO 0.02 -0.17 0.15 0.34 -0.05 0.00 0.00 175.22 175.51 1cf4 s ASP 57 N 1.29 1.96 -0.22 1.98 2.15 -1.26 -4.06 116.67 118.50 1cf4 s ASP 57 Ca -0.08 -0.47 -0.14 0.00 0.43 0.00 0.00 52.55 52.30 1cf4 s ASP 57 Cb -0.12 0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.60 1cf4 s ASP 57 CO -0.05 -0.34 0.55 -0.89 -0.17 0.00 0.00 175.17 174.27 1cf4 s THR 58 N 2.22 -0.01 -0.11 1.71 2.01 -1.26 -4.75 115.64 115.45 1cf4 s THR 58 Ca 0.04 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 1cf4 s THR 58 Cb -0.16 -0.80 0.12 0.00 0.01 0.00 0.00 72.50 71.67 1cf4 s THR 58 CO -0.11 0.02 1.04 0.00 -0.69 0.00 0.00 174.62 174.88 1cf4 s ALA 59 N 1.34 -1.94 -0.06 7.40 0.00 -1.26 -4.38 121.76 122.85 1cf4 s ALA 59 Ca -0.08 1.34 0.08 0.00 0.00 0.00 0.00 51.96 53.30 1cf4 s ALA 59 Cb -0.06 0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.19 1cf4 s ALA 59 CO -0.14 -0.59 1.05 0.41 0.00 0.00 0.00 175.76 176.50 1cf4 n GLY 60 N -0.04 2.37 2.19 0.00 0.00 -1.23 -4.30 105.19 104.18 1cf4 n GLY 60 Ca -0.05 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 61 N -0.63 0.00 -0.39 0.99 7.99 -1.25 -4.71 117.00 119.00 1cf4 n LEU 61 Ca 0.07 -1.01 0.36 0.00 -0.01 0.00 0.00 56.01 55.42 1cf4 n LEU 61 Cb 0.66 -0.47 0.72 0.00 -0.11 0.00 0.00 43.42 44.22 1cf4 n LEU 61 CO 0.00 -0.91 1.33 -0.33 -1.51 0.00 0.00 177.39 175.97 1cf4 h GLU 62 N 0.00 0.06 0.05 3.23 5.08 -2.02 -1.66 114.58 119.33 1cf4 h GLU 62 Ca -0.22 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1cf4 h GLU 62 Cb 0.68 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1cf4 h GLU 62 CO 0.19 0.04 -0.42 0.22 -1.00 0.00 0.00 179.01 178.03 1cf4 h ASP 63 N 0.07 -1.30 -3.01 1.42 1.82 -1.95 -3.45 116.42 110.02 1cf4 h ASP 63 Ca 0.65 0.14 0.08 0.00 -0.39 0.00 0.00 57.03 57.50 1cf4 h ASP 63 Cb 2.40 0.48 -0.26 0.00 0.68 0.00 0.00 39.33 42.63 1cf4 h ASP 63 CO -0.09 -0.43 0.44 -0.72 -1.61 0.00 0.00 179.24 176.83 1cf4 s TYR 64 N -5.18 -0.50 -0.05 0.28 -0.85 -0.62 -5.04 117.35 105.39 1cf4 s TYR 64 Ca -0.13 1.15 -0.02 0.00 -0.52 0.00 0.00 57.07 57.55 1cf4 s TYR 64 Cb 0.05 0.37 -0.01 0.00 0.38 0.00 0.00 41.96 42.75 1cf4 s TYR 64 CO 0.48 -0.24 -0.04 0.22 -1.52 0.00 0.00 175.55 174.45 1cf4 h ASP 65 N 4.68 0.00 1.00 -0.18 1.82 -1.75 -3.26 116.42 118.74 1cf4 h ASP 65 Ca -0.28 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.29 1cf4 h ASP 65 Cb 1.18 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1cf4 h ASP 65 CO 0.13 0.25 -0.32 0.03 -1.61 0.00 0.00 179.24 177.71 1cf4 h ARG 66 N -0.38 0.00 0.00 0.28 2.47 -1.97 -3.42 114.38 111.36 1cf4 h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1cf4 h ARG 66 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1cf4 h ARG 66 CO 0.00 0.32 0.00 1.28 0.56 0.00 0.00 179.97 182.13 1cf4 n LEU 67 N -3.42 0.00 0.00 3.04 4.77 -1.26 -4.38 117.00 115.76 1cf4 n LEU 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cf4 n LEU 67 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1cf4 n LEU 67 CO 0.36 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.96 1cf4 n ARG 68 N 0.00 0.00 0.19 3.23 5.12 -1.26 -5.01 116.66 118.93 1cf4 n ARG 68 Ca 0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 1cf4 n ARG 68 Cb 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.20 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1cf4 h PRO 69 N 0.00 -0.82 -0.30 5.56 0.11 -1.89 -2.08 132.00 132.59 1cf4 h PRO 69 Ca 0.00 0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1cf4 h PRO 69 Cb 0.00 0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1cf4 h PRO 69 CO 0.00 -0.54 0.20 1.37 -0.21 0.00 0.00 178.00 178.82 1cf4 h LEU 70 N -0.85 0.21 -1.44 2.35 8.10 -1.85 0.02 115.31 121.85 1cf4 h LEU 70 Ca -0.03 -0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.09 1cf4 h LEU 70 Cb 0.79 -0.05 -0.06 0.00 -0.44 0.00 0.00 40.66 40.90 1cf4 h LEU 70 CO -0.18 0.14 0.53 -1.28 -4.11 0.00 0.00 178.44 173.54 1cf4 h SER 71 N 0.24 0.53 0.00 0.17 0.87 -1.58 -3.41 113.55 110.37 1cf4 h SER 71 Ca 0.13 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1cf4 h SER 71 Cb 0.20 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1cf4 h SER 71 CO -0.02 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.55 1cf4 n TYR 72 N -4.51 0.00 -2.80 2.24 9.36 -0.66 -4.86 117.16 115.93 1cf4 n TYR 72 Ca 0.15 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.97 1cf4 n TYR 72 Cb 0.47 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.13 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1cf4 s PRO 73 N 0.00 4.69 -0.00 2.98 0.04 -0.10 -4.89 135.00 137.72 1cf4 s PRO 73 Ca 0.00 1.37 0.12 0.00 0.04 0.00 0.00 61.00 62.53 1cf4 s PRO 73 Cb 0.00 -3.34 0.36 0.00 0.04 0.00 0.00 34.50 31.56 1cf4 s PRO 73 CO 0.00 0.33 1.29 0.94 0.04 0.00 0.00 177.00 179.61 1cf4 n GLN 74 N 2.36 1.96 -0.32 4.56 0.00 -1.26 -4.88 117.38 119.81 1cf4 n GLN 74 Ca -0.00 -1.46 -0.28 0.00 -0.00 0.00 0.00 57.00 55.26 1cf4 n GLN 74 Cb 0.49 -1.33 0.26 0.00 0.00 0.00 0.00 30.24 29.66 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1cf4 n THR 75 N 0.67 0.00 -0.17 1.69 5.66 -1.26 -4.98 114.28 115.90 1cf4 n THR 75 Ca 0.14 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1cf4 n THR 75 Cb 0.35 -0.89 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cf4 n ASP 76 N -4.77 1.44 -3.29 1.09 2.03 -1.26 -4.95 116.55 106.83 1cf4 n ASP 76 Ca 0.11 -1.61 -0.08 0.00 0.52 0.00 0.00 54.79 53.73 1cf4 n ASP 76 Cb 0.54 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.89 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1cf4 s VAL 77 N -0.61 -0.66 0.94 5.18 0.11 -1.26 -4.05 120.40 120.04 1cf4 s VAL 77 Ca 0.00 -0.25 -0.15 0.00 -2.93 0.00 0.00 61.98 58.65 1cf4 s VAL 77 Cb 0.00 -0.98 0.19 0.00 -1.53 0.00 0.00 36.38 34.06 1cf4 s VAL 77 CO 0.00 -0.25 1.30 -0.36 -3.33 0.00 0.00 175.10 172.46 1cf4 s PHE 78 N 2.57 1.65 -0.20 1.54 0.40 0.28 -4.67 117.98 119.55 1cf4 s PHE 78 Ca 0.10 0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1cf4 s PHE 78 Cb -0.13 -4.04 0.07 0.00 0.51 0.00 0.00 43.02 39.43 1cf4 s PHE 78 CO -0.29 -2.57 0.09 -1.17 0.70 0.00 0.00 175.22 171.98 1cf4 s LEU 79 N -5.84 0.55 -0.17 -0.37 2.96 -1.26 -2.26 118.68 112.29 1cf4 s LEU 79 Ca 0.73 -0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1cf4 s LEU 79 Cb -0.04 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1cf4 s LEU 79 CO 0.52 -0.36 -0.06 0.68 -1.32 0.00 0.00 176.35 175.82 1cf4 s VAL 80 N 2.08 3.55 0.53 1.68 -7.23 -1.11 -3.46 120.40 116.43 1cf4 s VAL 80 Ca 0.03 -0.47 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 1cf4 s VAL 80 Cb -0.16 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1cf4 s VAL 80 CO -0.13 0.48 0.45 0.00 -0.31 0.00 0.00 175.10 175.58 1cf4 s PHE 82 N -2.71 -0.21 0.17 0.00 -0.12 -1.26 -4.54 117.98 109.29 1cf4 s PHE 82 Ca 0.40 0.39 -0.18 0.00 -0.05 0.00 0.00 56.93 57.49 1cf4 s PHE 82 Cb -0.03 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.42 1cf4 s PHE 82 CO 0.25 -0.11 0.64 -1.12 -0.05 0.00 0.00 175.22 174.83 1cf4 s SER 83 N 1.69 6.99 0.12 1.98 0.01 -1.26 -4.88 113.70 118.35 1cf4 s SER 83 Ca -0.04 1.28 -0.24 0.00 1.31 0.00 0.00 55.95 58.26 1cf4 s SER 83 Cb -0.02 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1cf4 s SER 83 CO -0.14 0.11 1.65 0.58 0.41 0.00 0.00 173.24 175.85 1cf4 h VAL 84 N 2.93 0.51 -1.20 3.43 2.07 -1.86 -3.40 116.25 118.72 1cf4 h VAL 84 Ca -0.48 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.37 1cf4 h VAL 84 Cb 1.20 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1cf4 h VAL 84 CO 0.65 0.00 1.42 1.33 0.02 0.00 0.00 177.57 181.00 1cf4 n VAL 85 N -5.34 0.21 -3.69 2.57 0.24 -1.26 -3.09 118.33 107.97 1cf4 n VAL 85 Ca -0.04 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 1cf4 n VAL 85 Cb 0.25 -1.76 -0.11 0.00 -1.47 0.00 0.00 33.84 30.76 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cf4 s SER 86 N 7.41 -0.46 -0.78 -1.34 0.01 -1.26 -5.00 113.70 112.28 1cf4 s SER 86 Ca 1.08 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 59.20 1cf4 s SER 86 Cb -0.79 0.85 0.13 0.00 0.21 0.00 0.00 66.02 66.42 1cf4 s SER 86 CO 0.47 -0.20 2.51 -0.81 0.41 0.00 0.00 173.24 175.62 1cf4 n PRO 87 N 4.45 3.27 -1.05 12.44 -0.04 -1.26 -4.33 135.00 148.48 1cf4 n PRO 87 Ca -0.21 -2.97 -0.02 0.00 -0.04 0.00 0.00 63.50 60.27 1cf4 n PRO 87 Cb 0.54 -2.32 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1cf4 n PRO 87 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cf4 n SER 88 N 0.86 -3.28 -0.02 3.54 3.41 -1.26 -4.37 113.62 112.50 1cf4 n SER 88 Ca 0.53 0.04 0.03 0.00 -0.26 0.00 0.00 58.87 59.21 1cf4 n SER 88 Cb 0.41 -0.93 -0.14 0.00 -0.26 0.00 0.00 64.21 63.29 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1cf4 n SER 89 N 1.26 0.24 -0.26 4.04 3.41 -1.26 -4.39 113.62 116.65 1cf4 n SER 89 Ca -0.02 0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.76 1cf4 n SER 89 Cb 0.07 1.23 0.18 0.00 -0.26 0.00 0.00 64.21 65.43 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1cf4 h PHE 90 N 0.00 0.08 -0.34 7.33 3.57 -1.91 0.16 116.94 125.83 1cf4 h PHE 90 Ca -0.19 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.44 1cf4 h PHE 90 Cb 1.47 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.22 1cf4 h PHE 90 CO 0.00 -0.20 -0.21 0.93 -2.23 0.00 0.00 178.31 176.60 1cf4 h GLU 91 N 0.15 -0.16 -0.49 1.11 5.08 -2.01 -1.80 114.58 116.47 1cf4 h GLU 91 Ca 0.43 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.68 1cf4 h GLU 91 Cb 0.78 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1cf4 h GLU 91 CO -0.63 -0.10 -0.18 -0.97 -1.00 0.00 0.00 179.01 176.13 1cf4 h ASN 92 N -0.16 1.00 -0.78 1.42 -0.00 -1.39 -1.86 115.58 113.82 1cf4 h ASN 92 Ca 0.17 -0.38 0.18 0.00 -0.00 0.00 0.00 56.30 56.27 1cf4 h ASN 92 Cb 0.43 -0.28 -0.12 0.00 -0.00 0.00 0.00 38.32 38.36 1cf4 h ASN 92 CO -0.44 1.16 0.19 0.58 -0.00 0.00 0.00 177.43 178.92 1cf4 h VAL 93 N 0.84 0.47 0.17 2.57 2.07 0.06 0.99 116.25 123.42 1cf4 h VAL 93 Ca 0.12 -0.09 -0.30 0.00 0.82 0.00 0.00 66.70 67.25 1cf4 h VAL 93 Cb 0.75 0.18 0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1cf4 h VAL 93 CO 0.06 0.05 -1.35 0.07 0.02 0.00 0.00 177.57 176.42 1cf4 h LYS 94 N 0.26 0.37 0.00 1.57 2.10 -1.36 -1.46 116.57 118.06 1cf4 h LYS 94 Ca 0.45 -0.63 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1cf4 h LYS 94 Cb 0.80 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1cf4 h LYS 94 CO -0.55 1.30 0.00 0.39 -2.00 0.00 0.00 179.45 178.59 1cf4 n GLU 95 N -3.59 0.06 -0.01 0.07 1.02 -0.46 -2.10 120.64 115.62 1cf4 n GLU 95 Ca -0.12 0.18 0.04 0.00 -0.02 0.00 0.00 57.16 57.25 1cf4 n GLU 95 Cb 1.06 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 1cf4 n GLU 95 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1cf4 n LYS 96 N -1.70 0.40 -0.09 3.49 2.85 0.33 -4.53 118.16 118.91 1cf4 n LYS 96 Ca 0.05 -0.08 -0.17 0.00 -1.05 0.00 0.00 58.31 57.05 1cf4 n LYS 96 Cb 0.27 -1.23 -0.10 0.00 -0.65 0.00 0.00 35.03 33.32 1cf4 n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 1cf4 h TRP 97 N 0.00 0.00 -0.67 5.58 -0.00 -1.21 -3.19 115.95 116.45 1cf4 h TRP 97 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.02 1cf4 h TRP 97 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 29.16 29.54 1cf4 h TRP 97 CO 0.00 1.13 0.02 0.28 -0.00 0.00 0.00 178.44 179.87 1cf4 h VAL 98 N -1.00 0.45 0.00 1.49 2.07 -1.66 0.55 116.25 118.15 1cf4 h VAL 98 Ca -0.21 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1cf4 h VAL 98 Cb 1.08 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1cf4 h VAL 98 CO -0.13 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.68 1cf4 n PRO 99 N -5.29 0.18 -0.09 1.57 -0.04 -1.26 -3.19 135.00 126.88 1cf4 n PRO 99 Ca 0.11 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.59 1cf4 n PRO 99 Cb 0.40 -1.75 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 1cf4 n PRO 99 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1cf4 h GLU 100 N 0.00 0.02 -0.26 0.54 5.08 -0.52 -2.62 114.58 116.83 1cf4 h GLU 100 Ca 0.00 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1cf4 h GLU 100 Cb 0.56 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cf4 h GLU 100 CO 0.00 1.02 0.21 -0.84 -1.00 0.00 0.00 179.01 178.40 1cf4 h ILE 101 N -0.91 0.69 0.00 3.13 3.07 -0.17 -0.55 117.51 122.77 1cf4 h ILE 101 Ca -0.35 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 65.87 1cf4 h ILE 101 Cb 1.37 0.84 -0.03 0.00 -0.27 0.00 0.00 36.82 38.73 1cf4 h ILE 101 CO -0.19 0.00 -1.66 0.35 -1.05 0.00 0.00 178.15 175.60 1cf4 n THR 102 N -4.18 1.09 0.06 0.16 -2.24 -1.19 -3.20 114.28 104.78 1cf4 n THR 102 Ca 0.03 -0.70 -0.02 0.00 -2.27 0.00 0.00 64.05 61.09 1cf4 n THR 102 Cb 0.36 -0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 1cf4 n THR 102 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1cf4 h HIS 103 N 0.00 -0.15 0.08 4.78 3.86 -0.71 -3.35 115.15 119.67 1cf4 h HIS 103 Ca -0.21 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1cf4 h HIS 103 Cb 1.64 0.05 0.00 0.00 1.06 0.00 0.00 27.41 30.16 1cf4 h HIS 103 CO 0.00 -0.09 -0.04 0.45 0.86 0.00 0.00 177.93 179.11 1cf4 h HIS 104 N -0.18 -0.11 -2.82 2.45 3.86 -1.68 -3.43 115.15 113.24 1cf4 h HIS 104 Ca -0.02 -0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.52 1cf4 h HIS 104 Cb 0.12 0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.54 1cf4 h HIS 104 CO 0.16 0.15 -0.51 0.00 0.86 0.00 0.00 177.93 178.59 1cf4 n PRO 106 N 1.82 0.16 -1.54 0.00 -0.02 -1.26 -3.54 135.00 130.63 1cf4 n PRO 106 Ca -0.18 0.10 -0.18 0.00 -2.02 0.00 0.00 63.50 61.22 1cf4 n PRO 106 Cb 0.54 -1.82 -0.12 0.00 -0.02 0.00 0.00 33.50 32.09 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cf4 n LYS 107 N -0.88 0.41 -4.31 -0.52 5.02 -1.26 -4.73 118.16 111.88 1cf4 n LYS 107 Ca 0.09 -0.53 -0.28 0.00 -2.02 0.00 0.00 58.31 55.57 1cf4 n LYS 107 Cb 0.51 -2.82 -0.10 0.00 -0.02 0.00 0.00 35.03 32.59 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cf4 s THR 108 N 10.16 2.98 1.13 -0.18 -4.23 -1.26 -5.13 115.64 119.11 1cf4 s THR 108 Ca 1.06 -1.62 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 1cf4 s THR 108 Cb -0.38 -2.42 0.27 0.00 1.34 0.00 0.00 72.50 71.30 1cf4 s THR 108 CO 0.25 -0.02 1.04 -2.84 -0.54 0.00 0.00 174.62 172.52 1cf4 s PRO 109 N -2.51 -0.67 0.13 3.99 0.02 -1.26 -4.73 135.00 129.97 1cf4 s PRO 109 Ca 0.22 0.96 -0.19 0.00 0.02 0.00 0.00 61.00 62.01 1cf4 s PRO 109 Cb -0.09 -1.57 0.05 0.00 0.02 0.00 0.00 34.50 32.90 1cf4 s PRO 109 CO 0.13 -3.59 0.47 -0.59 -0.33 0.00 0.00 177.00 173.09 1cf4 s PHE 110 N -2.48 -0.33 0.12 6.54 -0.71 -1.26 0.98 117.98 120.85 1cf4 s PHE 110 Ca 0.68 0.08 0.10 0.00 -1.04 0.00 0.00 56.93 56.76 1cf4 s PHE 110 Cb -0.25 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 1cf4 s PHE 110 CO 0.64 -0.74 -0.26 -1.17 -1.34 0.00 0.00 175.22 172.35 1cf4 s LEU 111 N -2.69 2.32 0.02 -1.99 0.20 -0.96 -2.72 118.68 112.85 1cf4 s LEU 111 Ca 0.01 -0.74 -0.13 0.00 0.69 0.00 0.00 54.13 53.97 1cf4 s LEU 111 Cb 0.01 -1.15 -0.06 0.00 -0.43 0.00 0.00 46.19 44.56 1cf4 s LEU 111 CO -0.11 0.15 0.39 -0.76 -0.29 0.00 0.00 176.35 175.73 1cf4 s LEU 112 N -2.03 4.43 0.05 -0.68 2.01 -1.20 -2.76 118.68 118.51 1cf4 s LEU 112 Ca 0.13 0.87 0.09 0.00 0.01 0.00 0.00 54.13 55.22 1cf4 s LEU 112 Cb -0.10 -2.68 -0.03 0.00 0.01 0.00 0.00 46.19 43.39 1cf4 s LEU 112 CO 0.06 0.28 -0.24 -0.69 1.01 0.00 0.00 176.35 176.77 1cf4 s VAL 113 N -1.18 1.95 -0.08 -1.59 1.01 -1.26 -3.95 120.40 115.31 1cf4 s VAL 113 Ca 0.26 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.90 1cf4 s VAL 113 Cb -0.15 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.56 1cf4 s VAL 113 CO 0.14 0.26 -0.08 -0.83 0.00 0.00 0.00 175.10 174.59 1cf4 s GLY 114 N -1.32 0.72 0.00 4.51 0.00 -0.71 -4.50 107.32 106.02 1cf4 s GLY 114 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1cf4 s GLY 114 CO 0.02 0.49 0.00 -1.30 0.00 0.00 0.00 173.10 172.31 1cf4 n THR 115 N 4.34 0.00 0.98 0.90 -2.24 -1.19 0.17 114.28 117.24 1cf4 n THR 115 Ca -0.19 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1cf4 n THR 115 Cb 0.51 -0.19 0.49 0.00 -2.10 0.00 0.00 70.33 69.03 1cf4 n THR 115 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cf4 n GLN 116 N -1.99 0.41 -0.46 -0.78 7.27 -1.26 -3.77 117.38 116.80 1cf4 n GLN 116 Ca 0.00 0.06 0.42 0.00 0.07 0.00 0.00 57.00 57.54 1cf4 n GLN 116 Cb 0.00 -1.50 0.70 0.00 2.41 0.00 0.00 30.24 31.85 1cf4 n GLN 116 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1cf4 h ILE 117 N 0.00 0.10 -0.02 1.69 -2.65 -1.93 1.42 117.51 116.12 1cf4 h ILE 117 Ca 0.00 0.00 -0.20 0.00 1.03 0.00 0.00 64.86 65.69 1cf4 h ILE 117 Cb 0.08 0.11 -0.00 0.00 -2.05 0.00 0.00 36.82 34.96 1cf4 h ILE 117 CO 0.00 0.00 -0.86 -0.78 0.03 0.00 0.00 178.15 176.54 1cf4 h ASP 118 N 0.00 0.44 0.31 2.16 1.82 -1.99 -3.20 116.42 115.96 1cf4 h ASP 118 Ca 0.71 -0.33 -0.11 0.00 -0.39 0.00 0.00 57.03 56.91 1cf4 h ASP 118 Cb 3.13 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 42.99 1cf4 h ASP 118 CO -0.01 1.11 -0.45 -0.07 -1.61 0.00 0.00 179.24 178.21 1cf4 h LEU 119 N 0.21 0.18 -1.99 2.28 -0.00 0.16 -3.01 115.31 113.15 1cf4 h LEU 119 Ca -0.05 -0.08 0.40 0.00 -0.00 0.00 0.00 57.88 58.14 1cf4 h LEU 119 Cb 1.47 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 42.03 1cf4 h LEU 119 CO 0.14 0.61 1.00 0.08 -0.00 0.00 0.00 178.44 180.27 1cf4 h ARG 120 N 0.14 0.00 0.04 1.13 -0.00 -1.45 1.21 114.38 115.46 1cf4 h ARG 120 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.73 1cf4 h ARG 120 Cb 0.85 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.80 1cf4 h ARG 120 CO 0.07 0.00 -1.35 0.22 -0.00 0.00 0.00 179.97 178.91 1cf4 h ASP 121 N 0.00 0.14 -1.54 0.08 3.58 -1.71 -3.45 116.42 113.51 1cf4 h ASP 121 Ca 0.65 -0.18 -0.57 0.00 0.42 0.00 0.00 57.03 57.35 1cf4 h ASP 121 Cb 2.64 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 43.64 1cf4 h ASP 121 CO -0.01 1.15 1.53 -0.67 -2.88 0.00 0.00 179.24 178.36 1cf4 n ASP 122 N -3.31 2.56 0.00 2.28 -0.08 0.42 -4.80 116.55 113.61 1cf4 n ASP 122 Ca -0.10 0.06 0.07 0.00 -1.51 0.00 0.00 54.79 53.32 1cf4 n ASP 122 Cb 1.00 -1.45 0.38 0.00 2.34 0.00 0.00 41.12 43.39 1cf4 n ASP 122 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1cf4 n PRO 123 N 8.67 0.29 -0.02 -0.67 -0.02 -1.26 -2.55 135.00 139.44 1cf4 n PRO 123 Ca 0.37 0.10 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1cf4 n PRO 123 Cb 0.39 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1cf4 n PRO 123 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1cf4 h SER 124 N 0.00 0.00 -0.94 2.55 0.02 -1.92 -2.87 113.55 110.39 1cf4 h SER 124 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1cf4 h SER 124 Cb 0.08 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.56 1cf4 h SER 124 CO 0.00 0.25 0.61 0.74 -1.14 0.00 0.00 176.83 177.28 1cf4 h THR 125 N -0.48 1.03 -0.78 -2.27 2.02 -1.89 0.21 112.91 110.74 1cf4 h THR 125 Ca 0.00 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 66.93 1cf4 h THR 125 Cb 0.02 -0.08 -0.08 0.00 -1.74 0.00 0.00 68.15 66.27 1cf4 h THR 125 CO 0.00 0.19 0.41 -0.29 0.37 0.00 0.00 175.52 176.20 1cf4 h ILE 126 N 1.02 0.85 -0.82 3.11 6.09 -1.64 0.13 117.51 126.25 1cf4 h ILE 126 Ca 0.42 -0.23 0.05 0.00 -1.37 0.00 0.00 64.86 63.72 1cf4 h ILE 126 Cb 0.29 0.11 -0.05 0.00 0.47 0.00 0.00 36.82 37.64 1cf4 h ILE 126 CO -0.18 0.12 0.54 -0.33 -3.07 0.00 0.00 178.15 175.23 1cf4 h GLU 127 N 0.68 0.94 -0.06 2.19 4.39 -0.72 0.24 114.58 122.24 1cf4 h GLU 127 Ca 0.39 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 1cf4 h GLU 127 Cb 0.42 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1cf4 h GLU 127 CO -0.28 0.62 -0.12 0.87 -1.16 0.00 0.00 179.01 178.94 1cf4 h LYS 128 N 0.97 0.09 -0.06 2.33 6.56 -0.46 -1.16 116.57 124.84 1cf4 h LYS 128 Ca 0.33 -0.02 -0.24 0.00 -1.06 0.00 0.00 60.65 59.67 1cf4 h LYS 128 Cb 0.11 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1cf4 h LYS 128 CO -0.11 0.21 -0.92 -0.07 -2.06 0.00 0.00 179.45 176.50 1cf4 h LEU 129 N 0.08 0.86 -1.85 2.94 3.38 -0.03 -3.10 115.31 117.59 1cf4 h LEU 129 Ca 0.02 -0.64 0.37 0.00 0.09 0.00 0.00 57.88 57.72 1cf4 h LEU 129 Cb 0.27 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1cf4 h LEU 129 CO 0.02 1.44 0.91 0.00 0.09 0.00 0.00 178.44 180.89 1cf4 h ALA 130 N 0.52 3.07 -0.99 1.53 0.00 0.59 1.49 119.26 125.47 1cf4 h ALA 130 Ca -0.09 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.06 1cf4 h ALA 130 Cb 1.56 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 1cf4 h ALA 130 CO 0.18 -1.47 0.67 0.87 0.00 0.00 0.00 179.25 179.49 1cf4 h LYS 131 N 0.07 0.29 0.00 0.00 1.79 -1.44 -3.17 116.57 114.10 1cf4 h LYS 131 Ca 0.65 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.10 1cf4 h LYS 131 Cb 2.40 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.98 1cf4 h LYS 131 CO -0.09 0.19 -0.84 0.09 -1.08 0.00 0.00 179.45 177.73 1cf4 n ASN 132 N -4.49 4.06 0.00 0.86 3.02 0.19 -5.08 115.26 113.82 1cf4 n ASN 132 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1cf4 n ASN 132 Cb 0.87 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cf4 n LYS 133 N -1.83 0.00 0.00 3.52 4.76 0.46 -4.67 118.16 120.39 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cf4 n LYS 133 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n GLN 134 N 0.00 0.00 -2.04 1.97 10.64 -1.19 -3.90 117.38 122.86 1cf4 n GLN 134 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1cf4 n GLN 134 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1cf4 s LYS 135 N 0.00 3.44 -0.16 2.61 -0.14 -1.26 -4.81 119.74 119.42 1cf4 s LYS 135 Ca 0.00 1.44 -0.28 0.00 -1.36 0.00 0.00 55.97 55.77 1cf4 s LYS 135 Cb 0.00 -4.16 -0.01 0.00 -1.68 0.00 0.00 37.83 31.99 1cf4 s LYS 135 CO 0.00 -1.73 0.95 -1.25 -0.76 0.00 0.00 175.35 172.57 1cf4 s PRO 136 N 5.42 4.34 -0.69 -1.68 0.04 -1.26 -4.67 135.00 136.49 1cf4 s PRO 136 Ca 0.77 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1cf4 s PRO 136 Cb -0.22 -3.58 -0.14 0.00 0.04 0.00 0.00 34.50 30.60 1cf4 s PRO 136 CO 0.33 -0.40 2.44 -0.89 0.04 0.00 0.00 177.00 178.52 1cf4 n ILE 137 N 4.81 -0.04 -1.56 0.56 2.08 -1.18 -4.90 119.36 119.13 1cf4 n ILE 137 Ca 0.08 -0.57 -0.32 0.00 0.56 0.00 0.00 62.75 62.49 1cf4 n ILE 137 Cb 0.48 -1.99 0.07 0.00 -0.75 0.00 0.00 39.64 37.44 1cf4 n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1cf4 s THR 138 N 11.40 3.18 0.29 1.39 -4.23 -1.26 -4.63 115.64 121.78 1cf4 s THR 138 Ca 1.06 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 62.10 1cf4 s THR 138 Cb -0.40 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.73 1cf4 s THR 138 CO 0.28 -0.39 1.75 1.55 -0.54 0.00 0.00 174.62 177.27 1cf4 h PRO 139 N -0.39 0.62 -0.54 3.99 0.13 -1.97 0.17 132.00 134.00 1cf4 h PRO 139 Ca -0.46 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1cf4 h PRO 139 Cb 1.25 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1cf4 h PRO 139 CO 0.53 0.41 0.36 1.05 -0.23 0.00 0.00 178.00 180.12 1cf4 h GLU 140 N 0.64 0.60 -0.27 0.86 -0.00 -2.00 -2.07 114.58 112.34 1cf4 h GLU 140 Ca 0.54 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.85 1cf4 h GLU 140 Cb 0.87 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 29.47 1cf4 h GLU 140 CO -0.41 0.40 0.10 1.15 -0.00 0.00 0.00 179.01 180.25 1cf4 h THR 141 N 0.62 1.19 -0.32 -1.06 2.02 -1.02 -2.64 112.91 111.70 1cf4 h THR 141 Ca 0.22 -0.58 0.05 0.00 0.77 0.00 0.00 66.41 66.87 1cf4 h THR 141 Cb 0.10 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1cf4 h THR 141 CO -0.06 0.19 0.03 0.00 0.37 0.00 0.00 175.52 176.06 1cf4 h ALA 142 N 0.93 0.31 -0.74 6.16 0.00 -1.17 -1.88 119.26 122.87 1cf4 h ALA 142 Ca 0.09 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1cf4 h ALA 142 Cb 0.21 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 1cf4 h ALA 142 CO -0.01 -0.37 0.35 0.93 0.00 0.00 0.00 179.25 180.15 1cf4 h GLU 143 N 0.14 0.54 0.35 0.00 5.08 -1.34 0.55 114.58 119.90 1cf4 h GLU 143 Ca 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1cf4 h GLU 143 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1cf4 h GLU 143 CO -0.23 0.36 -0.43 0.87 -1.00 0.00 0.00 179.01 178.59 1cf4 h LYS 144 N 0.56 -0.76 -0.73 2.33 1.57 -0.99 0.44 116.57 118.99 1cf4 h LYS 144 Ca 0.38 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1cf4 h LYS 144 Cb 0.47 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1cf4 h LYS 144 CO -0.32 -0.51 0.38 1.25 -0.57 0.00 0.00 179.45 179.69 1cf4 h LEU 145 N -0.79 0.91 -0.10 2.94 6.46 -1.12 0.83 115.31 124.43 1cf4 h LEU 145 Ca -0.04 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1cf4 h LEU 145 Cb 0.71 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1cf4 h LEU 145 CO -0.09 0.74 0.05 0.00 -0.62 0.00 0.00 178.44 178.51 1cf4 h ALA 146 N 1.40 0.12 0.00 1.25 0.00 0.54 -2.59 119.26 119.98 1cf4 h ALA 146 Ca 0.26 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1cf4 h ALA 146 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1cf4 h ALA 146 CO -0.04 -0.41 -0.51 0.00 0.00 0.00 0.00 179.25 178.29 1cf4 h ARG 147 N 0.10 0.00 -0.95 0.00 3.08 0.17 0.22 114.38 117.00 1cf4 h ARG 147 Ca 0.04 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.16 1cf4 h ARG 147 Cb 0.01 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 1cf4 h ARG 147 CO -0.03 0.51 0.60 0.22 -1.07 0.00 0.00 179.97 180.19 1cf4 h ASP 148 N 0.00 0.95 -0.42 7.04 3.58 0.10 -1.63 116.42 126.04 1cf4 h ASP 148 Ca -0.01 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.30 1cf4 h ASP 148 Cb 1.37 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.15 1cf4 h ASP 148 CO 0.07 0.59 0.05 0.18 -2.88 0.00 0.00 179.24 177.25 1cf4 n LEU 149 N -4.56 4.48 -4.08 2.28 4.77 -1.01 -4.97 117.00 113.91 1cf4 n LEU 149 Ca 0.15 -3.47 -0.38 0.00 -0.03 0.00 0.00 56.01 52.27 1cf4 n LEU 149 Cb 0.20 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1cf4 n LEU 149 CO 0.31 1.01 -0.23 2.29 -1.33 0.00 0.00 177.39 179.44 1cf4 n LYS 150 N -0.85 -0.48 0.00 3.23 0.00 -0.61 -4.91 118.16 114.54 1cf4 n LYS 150 Ca 0.33 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1cf4 n LYS 150 Cb 1.09 -2.40 0.00 0.00 -0.00 0.00 0.00 35.03 33.71 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cf4 n ALA 151 N -4.53 0.00 -0.61 0.58 0.00 0.77 -4.82 120.51 111.90 1cf4 n ALA 151 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cf4 n ALA 151 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1cf4 n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 152 N -0.39 0.00 -3.64 0.00 0.31 -1.10 -4.29 118.33 109.22 1cf4 n VAL 152 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1cf4 n VAL 152 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1cf4 n VAL 152 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cf4 s LYS 153 N -0.39 0.15 -0.32 5.55 2.20 -1.26 -4.94 119.74 120.73 1cf4 s LYS 153 Ca 0.00 0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.61 1cf4 s LYS 153 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1cf4 s LYS 153 CO 0.00 -0.04 0.14 -0.47 -0.36 0.00 0.00 175.35 174.62 1cf4 s TYR 154 N -0.58 3.18 0.23 4.03 5.04 -1.26 -3.23 117.35 124.76 1cf4 s TYR 154 Ca 0.07 -0.77 0.09 0.00 -2.44 0.00 0.00 57.07 54.02 1cf4 s TYR 154 Cb -0.03 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 1cf4 s TYR 154 CO -0.09 -0.53 -0.02 0.08 -1.34 0.00 0.00 175.55 173.65 1cf4 s VAL 155 N 1.57 3.45 -0.30 3.14 1.01 -1.25 -4.93 120.40 123.08 1cf4 s VAL 155 Ca 0.03 -1.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.10 1cf4 s VAL 155 Cb -0.17 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1cf4 s VAL 155 CO 0.05 -0.28 0.30 -1.83 0.00 0.00 0.00 175.10 173.35 1cf4 s GLU 156 N -3.38 3.82 -0.29 2.72 -1.05 -1.26 -1.74 118.70 117.53 1cf4 s GLU 156 Ca 0.29 -0.26 -0.14 0.00 -0.15 0.00 0.00 54.97 54.72 1cf4 s GLU 156 Cb -0.07 -3.71 0.10 0.00 -0.44 0.00 0.00 34.13 30.01 1cf4 s GLU 156 CO 0.19 -0.33 0.70 0.00 0.95 0.00 0.00 175.26 176.76 1cf4 s SER 158 N 2.07 -0.02 0.39 0.00 0.15 -1.26 -3.15 113.70 111.88 1cf4 s SER 158 Ca -0.08 -0.26 0.21 0.00 0.70 0.00 0.00 55.95 56.52 1cf4 s SER 158 Cb -0.07 0.29 0.38 0.00 -1.71 0.00 0.00 66.02 64.91 1cf4 s SER 158 CO -0.19 -0.53 1.60 0.00 1.20 0.00 0.00 173.24 175.32 1cf4 h ALA 159 N 3.56 0.89 0.61 5.45 0.00 -1.94 0.34 119.26 128.17 1cf4 h ALA 159 Ca -0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1cf4 h ALA 159 Cb 1.19 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1cf4 h ALA 159 CO 0.46 0.24 -0.29 -0.07 0.00 0.00 0.00 179.25 179.59 1cf4 h LEU 160 N 0.00 -0.69 0.00 0.00 4.07 -1.96 -3.34 115.31 113.39 1cf4 h LEU 160 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 1cf4 h LEU 160 Cb 1.07 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 1cf4 h LEU 160 CO 0.02 -0.30 -1.35 1.07 -1.08 0.00 0.00 178.44 176.80 1cf4 n THR 161 N -5.32 0.77 -2.11 0.22 5.66 -1.25 -5.03 114.28 107.21 1cf4 n THR 161 Ca -0.11 -0.61 -0.00 0.00 -3.05 0.00 0.00 64.05 60.29 1cf4 n THR 161 Cb 0.33 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 1cf4 n THR 161 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1cf4 n GLN 162 N -2.70 -0.52 -0.47 1.09 7.27 0.12 -4.94 117.38 117.22 1cf4 n GLN 162 Ca -0.05 0.89 0.04 0.00 0.07 0.00 0.00 57.00 57.94 1cf4 n GLN 162 Cb 0.68 -3.18 0.22 0.00 2.41 0.00 0.00 30.24 30.37 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1cf4 n LYS 163 N -1.32 3.06 0.00 3.69 4.01 -1.10 -4.86 118.16 121.65 1cf4 n LYS 163 Ca -0.00 -1.70 0.00 0.00 -0.51 0.00 0.00 58.31 56.10 1cf4 n LYS 163 Cb 0.50 -1.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1cf4 n GLY 164 N 0.39 3.14 5.00 0.72 0.00 -1.26 -4.59 105.19 108.60 1cf4 n GLY 164 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1cf4 n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cf4 n LEU 165 N 0.00 0.00 0.23 0.99 0.00 -1.26 -4.06 117.00 112.90 1cf4 n LEU 165 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 56.01 56.17 1cf4 n LEU 165 Cb 0.00 0.00 0.84 0.00 0.00 0.00 0.00 43.42 44.26 1cf4 n LEU 165 CO 0.00 0.00 1.14 0.07 0.00 0.00 0.00 177.39 178.60 1cf4 h LYS 166 N 0.00 0.00 0.02 1.96 2.10 -1.93 -2.81 116.57 115.92 1cf4 h LYS 166 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cf4 h LYS 166 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1cf4 h LYS 166 CO 0.00 0.00 -0.03 -0.97 -2.00 0.00 0.00 179.45 176.45 1cf4 h ASN 167 N 0.00 -0.08 -0.62 7.07 -1.24 -1.89 1.30 115.58 120.11 1cf4 h ASN 167 Ca 0.06 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.14 1cf4 h ASN 167 Cb 0.30 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.32 1cf4 h ASN 167 CO -0.00 -0.04 0.31 1.62 -1.29 0.00 0.00 177.43 178.04 1cf4 h VAL 168 N -0.05 0.92 0.00 2.57 3.04 -1.86 0.17 116.25 121.03 1cf4 h VAL 168 Ca -0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1cf4 h VAL 168 Cb 0.05 0.29 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1cf4 h VAL 168 CO -0.00 0.11 0.00 0.15 -1.01 0.00 0.00 177.57 176.81 1cf4 h PHE 169 N 0.58 0.00 0.21 3.17 3.57 -1.38 -2.52 116.94 120.57 1cf4 h PHE 169 Ca 0.29 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.46 1cf4 h PHE 169 Cb 0.23 0.00 0.03 0.00 2.79 0.00 0.00 35.95 38.99 1cf4 h PHE 169 CO -0.10 0.00 -1.47 -0.44 -2.23 0.00 0.00 178.31 174.06 1cf4 h ASP 170 N 0.00 0.71 0.58 0.41 3.32 0.46 -2.64 116.42 119.26 1cf4 h ASP 170 Ca 0.00 -0.80 -0.08 0.00 0.02 0.00 0.00 57.03 56.17 1cf4 h ASP 170 Cb 0.30 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1cf4 h ASP 170 CO 0.00 1.63 -0.37 1.05 -1.72 0.00 0.00 179.24 179.84 1cf4 h GLU 171 N 0.12 0.00 -0.01 3.56 4.11 -0.96 0.77 114.58 122.18 1cf4 h GLU 171 Ca -0.24 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.98 1cf4 h GLU 171 Cb 2.12 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.38 1cf4 h GLU 171 CO 0.24 0.37 -0.80 0.00 0.07 0.00 0.00 179.01 178.90 1cf4 h ALA 172 N 1.63 0.11 0.11 1.06 0.00 -1.52 -3.09 119.26 117.55 1cf4 h ALA 172 Ca -0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 54.01 1cf4 h ALA 172 Cb 0.76 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1cf4 h ALA 172 CO 0.05 0.51 -1.31 -0.84 0.00 0.00 0.00 179.25 177.65 1cf4 h ILE 173 N 0.15 1.40 -0.63 0.00 -0.00 -1.33 -3.33 117.51 113.78 1cf4 h ILE 173 Ca -0.10 -3.02 0.06 0.00 -0.00 0.00 0.00 64.86 61.81 1cf4 h ILE 173 Cb 1.48 2.86 -0.06 0.00 -0.00 0.00 0.00 36.82 41.11 1cf4 h ILE 173 CO 0.16 0.87 0.33 0.25 -0.00 0.00 0.00 178.15 179.75 1cf4 h LEU 174 N 0.06 0.46 -1.83 0.16 7.12 0.47 -0.01 115.31 121.74 1cf4 h LEU 174 Ca -0.16 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.01 1cf4 h LEU 174 Cb 1.96 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 42.03 1cf4 h LEU 174 CO 0.18 0.30 0.53 0.00 -0.13 0.00 0.00 178.44 179.32 1cf4 h ALA 175 N 1.34 2.11 0.18 1.25 0.00 -1.64 0.20 119.26 122.70 1cf4 h ALA 175 Ca 0.29 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 1cf4 h ALA 175 Cb 0.21 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cf4 h ALA 175 CO -0.20 -0.75 -1.70 0.00 0.00 0.00 0.00 179.25 176.60 1cf4 h ALA 176 N 1.33 0.15 0.00 0.00 0.00 -1.18 -3.32 119.26 116.24 1cf4 h ALA 176 Ca 0.20 -1.12 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 1cf4 h ALA 176 Cb 1.26 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1cf4 h ALA 176 CO -0.00 1.02 -0.17 -0.07 0.00 0.00 0.00 179.25 180.02 1cf4 h LEU 177 N 0.11 0.00 -7.00 0.00 3.38 -0.36 -3.43 115.31 108.01 1cf4 h LEU 177 Ca -0.32 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1cf4 h LEU 177 Cb 2.10 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 42.60 1cf4 h LEU 177 CO 0.18 0.17 0.34 -0.70 0.09 0.00 0.00 178.44 178.53 1cf4 s GLU 178 N -3.87 0.60 -0.37 1.13 2.12 -0.17 -4.83 118.70 113.31 1cf4 s GLU 178 Ca -0.01 0.74 -0.28 0.00 0.36 0.00 0.00 54.97 55.78 1cf4 s GLU 178 Cb 0.11 0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1cf4 s GLU 178 CO 0.61 -0.08 1.80 -1.25 -0.54 0.00 0.00 175.26 175.80 1cf4 s PRO 179 N 0.36 3.25 0.00 4.30 0.04 -1.25 -4.04 135.00 137.65 1cf4 s PRO 179 Ca 0.01 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1cf4 s PRO 179 Cb -0.05 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1cf4 s PRO 179 CO -0.05 -1.96 0.00 -2.30 0.04 0.00 0.00 177.00 172.73 1cf4 n PRO 180 N 8.50 1.08 -3.84 0.56 -0.02 -1.26 -5.10 135.00 134.92 1cf4 n PRO 180 Ca 0.23 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.59 1cf4 n PRO 180 Cb 0.47 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.85 1cf4 n PRO 180 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1cf4 s GLU 181 N 0.00 0.43 0.00 -0.52 8.01 -1.26 -5.17 118.70 120.18 1cf4 s GLU 181 Ca 0.00 -0.16 0.00 0.00 0.01 0.00 0.00 54.97 54.82 1cf4 s GLU 181 Cb 0.00 0.18 0.00 0.00 -4.31 0.00 0.00 34.13 30.00 1cf4 s GLU 181 CO 0.00 -0.10 0.00 -0.35 0.01 0.00 0.00 175.26 174.82 1cf4 n PRO 182 N 1.92 0.27 -1.50 0.39 -0.04 -1.26 -5.01 135.00 129.77 1cf4 n PRO 182 Ca -0.19 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.93 1cf4 n PRO 182 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 1cf4 n PRO 182 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1cf4 s LYS 183 N -1.59 2.29 0.00 0.54 -2.85 -1.26 -5.20 119.74 111.67 1cf4 s LYS 183 Ca 0.00 1.64 0.00 0.00 -1.00 0.00 0.00 55.97 56.61 1cf4 s LYS 183 Cb 0.00 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 1cf4 s LYS 183 CO 0.00 -1.70 0.11 1.63 0.10 0.00 0.00 175.35 175.49