#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 s GLN 2 N 0.00 3.62 0.21 2.12 -0.44 -1.26 -4.99 119.66 118.93 1cf4 s GLN 2 Ca 0.00 2.14 0.02 0.00 -2.50 0.00 0.00 55.36 55.02 1cf4 s GLN 2 Cb 0.00 -2.51 0.02 0.00 -1.64 0.00 0.00 33.01 28.87 1cf4 s GLN 2 CO 0.00 -0.77 0.15 2.41 0.50 0.00 0.00 175.29 177.58 1cf4 n THR 3 N -0.41 0.00 -3.67 -0.34 -1.04 -1.26 -4.94 114.28 102.62 1cf4 n THR 3 Ca 0.07 -0.87 -0.08 0.00 -2.04 0.00 0.00 64.05 61.13 1cf4 n THR 3 Cb 0.45 -0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 -1.13 -0.22 -0.53 12.58 -4.36 -1.26 -4.00 121.20 122.29 1cf4 s ILE 4 Ca 0.11 0.07 -0.15 0.00 -0.26 0.00 0.00 60.65 60.42 1cf4 s ILE 4 Cb -0.01 -0.77 0.12 0.00 1.25 0.00 0.00 42.46 43.05 1cf4 s ILE 4 CO 0.07 0.03 0.47 -0.54 0.24 0.00 0.00 174.94 175.21 1cf4 s LYS 5 N 1.83 2.94 0.08 0.37 -0.14 -1.26 -4.50 119.74 119.07 1cf4 s LYS 5 Ca -0.08 -1.68 -0.30 0.00 -1.36 0.00 0.00 55.97 52.55 1cf4 s LYS 5 Cb -0.08 -4.25 -0.05 0.00 -1.68 0.00 0.00 37.83 31.76 1cf4 s LYS 5 CO -0.15 -1.29 1.05 0.00 -0.76 0.00 0.00 175.35 174.20 1cf4 s VAL 7 N 0.47 0.17 -0.05 0.00 1.01 -1.26 -1.38 120.40 119.35 1cf4 s VAL 7 Ca 0.52 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1cf4 s VAL 7 Cb -0.25 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1cf4 s VAL 7 CO 0.30 -0.76 -0.05 -0.69 0.00 0.00 0.00 175.10 173.90 1cf4 s VAL 8 N -3.80 0.60 -0.05 2.92 1.01 -1.26 -3.06 120.40 116.76 1cf4 s VAL 8 Ca 0.05 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1cf4 s VAL 8 Cb 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1cf4 s VAL 8 CO -0.10 0.25 -0.05 0.68 0.00 0.00 0.00 175.10 175.87 1cf4 s VAL 9 N 1.00 0.57 -3.74 2.92 -7.23 -0.77 -4.84 120.40 108.30 1cf4 s VAL 9 Ca -0.10 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 1cf4 s VAL 9 Cb -0.14 -0.59 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1cf4 s VAL 9 CO -0.00 0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1cf4 n GLY 10 N 4.06 0.87 0.57 2.32 0.00 -1.26 -4.18 105.19 107.56 1cf4 n GLY 10 Ca -0.24 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 43.86 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 0.07 1.72 -4.95 1.61 5.68 -1.26 -5.04 116.55 114.38 1cf4 n ASP 11 Ca 0.00 -3.44 -0.21 0.00 -0.50 0.00 0.00 54.79 50.63 1cf4 n ASP 11 Cb 0.00 -0.47 0.01 0.00 -1.14 0.00 0.00 41.12 39.52 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1cf4 s GLY 12 N -2.94 2.05 -0.19 6.12 0.00 -1.09 -4.89 107.32 106.39 1cf4 s GLY 12 Ca 0.35 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 43.14 1cf4 s GLY 12 CO -0.05 -1.72 -0.20 0.00 0.00 0.00 0.00 173.10 171.12 1cf4 n ALA 13 N -1.85 0.79 -1.51 3.20 0.00 -1.26 -4.87 120.51 115.02 1cf4 n ALA 13 Ca 0.06 -0.69 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 1cf4 n ALA 13 Cb 0.62 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1cf4 n ALA 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1cf4 n VAL 14 N -4.46 0.11 0.00 0.00 3.14 -1.26 -2.63 118.33 113.23 1cf4 n VAL 14 Ca -0.23 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 1cf4 n VAL 14 Cb 0.54 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.34 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1cf4 n GLY 15 N 6.26 2.62 0.00 7.55 0.00 -1.26 -4.56 105.19 115.80 1cf4 n GLY 15 Ca 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.00 -0.13 1.61 5.02 -1.08 -4.76 118.16 118.82 1cf4 n LYS 16 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1cf4 n LYS 16 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cf4 n THR 17 N 0.00 1.53 -0.27 -0.18 -2.24 -1.26 -4.51 114.28 107.35 1cf4 n THR 17 Ca 0.00 -0.34 0.24 0.00 -2.27 0.00 0.00 64.05 61.68 1cf4 n THR 17 Cb 0.00 -1.89 0.45 0.00 -2.10 0.00 0.00 70.33 66.79 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 -4.97 0.00 0.10 0.00 4.77 -1.26 0.13 117.00 115.77 1cf4 n LEU 19 Ca 0.30 0.81 -0.04 0.00 -0.03 0.00 0.00 56.01 57.04 1cf4 n LEU 19 Cb 1.00 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.85 1cf4 n LEU 19 CO -0.01 -0.31 0.36 -0.07 -1.33 0.00 0.00 177.39 176.04 1cf4 h LEU 20 N 0.00 0.08 0.04 2.23 3.38 -1.65 -2.45 115.31 116.95 1cf4 h LEU 20 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cf4 h LEU 20 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cf4 h LEU 20 CO 0.00 0.80 -0.02 0.40 0.09 0.00 0.00 178.44 179.72 1cf4 h ILE 21 N 0.04 0.00 -0.59 1.22 1.08 0.51 -2.47 117.51 117.30 1cf4 h ILE 21 Ca -0.02 -0.02 0.17 0.00 -0.39 0.00 0.00 64.86 64.61 1cf4 h ILE 21 Cb 1.33 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 1cf4 h ILE 21 CO 0.10 0.00 0.64 -1.28 -0.69 0.00 0.00 178.15 176.93 1cf4 h SER 22 N -0.07 0.00 -0.23 1.72 0.87 0.96 1.45 113.55 118.26 1cf4 h SER 22 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1cf4 h SER 22 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1cf4 h SER 22 CO 0.01 0.00 0.03 0.22 -0.53 0.00 0.00 176.83 176.56 1cf4 h TYR 23 N 0.00 0.41 0.00 2.24 3.20 -1.32 -3.22 116.97 118.28 1cf4 h TYR 23 Ca 0.28 -0.06 -0.17 0.00 3.14 0.00 0.00 58.73 61.92 1cf4 h TYR 23 Cb 1.57 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.70 1cf4 h TYR 23 CO 0.00 0.52 -1.30 2.41 -1.64 0.00 0.00 178.16 178.15 1cf4 n THR 24 N -4.70 1.49 -2.67 1.81 -1.04 0.91 -4.62 114.28 105.45 1cf4 n THR 24 Ca -0.04 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 1cf4 n THR 24 Cb 0.20 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 1cf4 n THR 24 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cf4 n THR 25 N -4.45 4.23 -0.73 12.58 -2.24 0.46 -4.89 114.28 119.24 1cf4 n THR 25 Ca -0.26 -4.50 -0.24 0.00 -2.27 0.00 0.00 64.05 56.77 1cf4 n THR 25 Cb 0.58 -2.43 -0.03 0.00 -2.10 0.00 0.00 70.33 66.36 1cf4 n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1cf4 n ASN 26 N 5.31 3.77 -3.91 3.42 5.03 -1.22 -3.98 115.26 123.69 1cf4 n ASN 26 Ca 0.39 -2.36 -0.30 0.00 0.87 0.00 0.00 54.58 53.18 1cf4 n ASN 26 Cb 0.41 -1.02 -0.14 0.00 -1.02 0.00 0.00 39.78 38.01 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1cf4 s LYS 27 N 4.00 1.80 -0.16 3.52 1.02 -1.26 -4.94 119.74 123.73 1cf4 s LYS 27 Ca 0.39 -2.44 -0.14 0.00 0.02 0.00 0.00 55.97 53.80 1cf4 s LYS 27 Cb 0.10 -3.12 -0.23 0.00 -0.52 0.00 0.00 37.83 34.06 1cf4 s LYS 27 CO 0.01 -1.10 0.29 0.34 -0.92 0.00 0.00 175.35 173.97 1cf4 n PHE 28 N 3.29 1.15 1.00 3.18 7.35 -1.26 -4.20 117.46 127.97 1cf4 n PHE 28 Ca 0.05 0.35 0.03 0.00 -0.76 0.00 0.00 57.45 57.13 1cf4 n PHE 28 Cb 0.33 -1.13 0.10 0.00 0.35 0.00 0.00 39.48 39.13 1cf4 n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1cf4 n PRO 29 N -3.95 1.73 0.00 -7.13 -0.04 -1.26 -4.56 135.00 119.78 1cf4 n PRO 29 Ca -0.32 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1cf4 n PRO 29 Cb 0.87 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1cf4 n PRO 29 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cf4 n SER 30 N 0.15 0.00 -3.59 3.54 7.64 -1.26 -5.11 113.62 114.99 1cf4 n SER 30 Ca 0.08 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.80 1cf4 n SER 30 Cb 0.31 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 1cf4 n SER 30 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1cf4 s GLU 31 N 0.25 0.92 -0.05 1.43 -1.05 -1.26 -5.16 118.70 113.78 1cf4 s GLU 31 Ca 0.00 0.54 0.04 0.00 -0.15 0.00 0.00 54.97 55.40 1cf4 s GLU 31 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 1cf4 s GLU 31 CO 0.00 -0.22 -0.16 0.71 0.95 0.00 0.00 175.26 176.54 1cf4 s TYR 32 N -0.50 1.71 0.29 4.83 1.51 -1.26 -4.97 117.35 118.95 1cf4 s TYR 32 Ca -0.06 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1cf4 s TYR 32 Cb -0.02 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1cf4 s TYR 32 CO 0.06 -0.21 0.00 0.28 -1.11 0.00 0.00 175.55 174.56 1cf4 n VAL 33 N 3.34 0.00 -1.37 0.71 0.31 -1.26 -5.04 118.33 115.01 1cf4 n VAL 33 Ca -0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 63.99 1cf4 n VAL 33 Cb 0.53 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 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 -3.09 0.07 0.00 5.55 -0.02 -1.26 -4.35 135.00 131.89 1cf4 n PRO 34 Ca 0.00 -1.34 0.00 0.00 -2.02 0.00 0.00 63.50 60.14 1cf4 n PRO 34 Cb 0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 33.50 30.18 1cf4 n PRO 34 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1cf4 n THR 35 N 8.09 0.00 1.34 3.45 -1.04 -1.26 -4.63 114.28 120.23 1cf4 n THR 35 Ca 0.34 -0.46 0.13 0.00 -2.04 0.00 0.00 64.05 62.03 1cf4 n THR 35 Cb 0.46 1.04 0.45 0.00 -1.82 0.00 0.00 70.33 70.46 1cf4 n THR 35 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1cf4 n VAL 36 N -0.49 0.00 1.89 12.58 0.31 -1.26 -3.90 118.33 127.46 1cf4 n VAL 36 Ca 0.00 -0.16 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1cf4 n VAL 36 Cb 0.01 0.39 0.08 0.00 -0.91 0.00 0.00 33.84 33.41 1cf4 n VAL 36 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 1cf4 n PHE 37 N -0.41 0.05 -0.17 3.52 -1.74 -1.26 -4.89 117.46 112.55 1cf4 n PHE 37 Ca 0.15 -0.02 -0.08 0.00 -0.56 0.00 0.00 57.45 56.93 1cf4 n PHE 37 Cb 0.34 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.42 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1cf4 n ASP 38 N -0.43 -2.13 -1.92 5.98 5.75 -1.25 -3.40 116.55 119.16 1cf4 n ASP 38 Ca 0.03 -0.23 -0.09 0.00 -0.01 0.00 0.00 54.79 54.49 1cf4 n ASP 38 Cb 0.04 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1cf4 n ASP 38 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1cf4 n ASN 39 N -2.13 -2.85 -3.03 -1.12 0.23 -1.03 -4.91 115.26 100.43 1cf4 n ASN 39 Ca 0.04 0.25 -0.13 0.00 -0.53 0.00 0.00 54.58 54.21 1cf4 n ASN 39 Cb 0.16 -2.60 0.12 0.00 -2.08 0.00 0.00 39.78 35.37 1cf4 n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1cf4 n TYR 40 N -2.46 -3.10 -4.35 -2.53 0.18 -1.22 -4.95 117.16 98.73 1cf4 n TYR 40 Ca -0.10 -0.40 -0.25 0.00 1.88 0.00 0.00 57.90 59.03 1cf4 n TYR 40 Cb 0.46 -0.52 -0.12 0.00 -0.38 0.00 0.00 39.34 38.77 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 -2.55 2.12 0.05 -3.48 0.00 -1.26 -4.71 121.76 111.94 1cf4 s ALA 41 Ca 0.30 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1cf4 s ALA 41 Cb -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1cf4 s ALA 41 CO 0.24 0.39 0.16 0.14 0.00 0.00 0.00 175.76 176.69 1cf4 s VAL 42 N -1.44 0.13 -0.28 0.00 -7.23 -1.26 -5.14 120.40 105.18 1cf4 s VAL 42 Ca 0.13 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 1cf4 s VAL 42 Cb -0.09 -1.02 0.07 0.00 0.56 0.00 0.00 36.38 35.91 1cf4 s VAL 42 CO 0.06 -0.57 -0.02 0.28 -0.31 0.00 0.00 175.10 174.54 1cf4 s THR 43 N -2.90 1.81 0.28 5.32 -1.32 -1.26 -4.65 115.64 112.92 1cf4 s THR 43 Ca -0.02 -1.63 -0.08 0.00 -1.21 0.00 0.00 61.69 58.75 1cf4 s THR 43 Cb 0.01 -2.13 0.03 0.00 -1.51 0.00 0.00 72.50 68.90 1cf4 s THR 43 CO -0.06 -0.27 0.51 1.33 -2.21 0.00 0.00 174.62 173.92 1cf4 n VAL 44 N 4.52 0.00 -3.55 5.08 0.24 -1.26 -5.11 118.33 118.25 1cf4 n VAL 44 Ca -0.07 -0.91 -0.41 0.00 -2.04 0.00 0.00 64.34 60.90 1cf4 n VAL 44 Cb 0.43 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.48 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 -2.23 2.69 -1.07 7.34 -2.45 -1.26 -3.03 119.30 119.28 1cf4 s MET 45 Ca 0.15 -2.06 -0.22 0.00 -1.25 0.00 0.00 55.69 52.30 1cf4 s MET 45 Cb -0.03 -3.97 0.02 0.00 1.25 0.00 0.00 34.83 32.11 1cf4 s MET 45 CO 0.11 -1.21 1.67 0.42 1.05 0.00 0.00 175.02 177.06 1cf4 s ILE 46 N 0.82 3.83 0.00 10.11 -1.09 -0.96 -4.86 121.20 129.05 1cf4 s ILE 46 Ca 0.10 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1cf4 s ILE 46 Cb -0.22 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 1cf4 s ILE 46 CO -0.03 -1.65 0.00 0.61 -1.23 0.00 0.00 174.94 172.64 1cf4 n GLY 47 N 6.45 0.53 0.00 6.18 0.00 -1.26 -3.40 105.19 113.69 1cf4 n GLY 47 Ca 0.39 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.84 3.21 -0.02 0.00 -1.26 -4.81 105.19 101.47 1cf4 n GLY 48 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.29 0.94 -0.86 1.61 -1.05 -1.22 -4.96 118.70 112.87 1cf4 s GLU 49 Ca 0.00 -1.36 -0.30 0.00 -0.15 0.00 0.00 54.97 53.16 1cf4 s GLU 49 Cb 0.00 -0.46 -0.18 0.00 -0.44 0.00 0.00 34.13 33.05 1cf4 s GLU 49 CO 0.00 0.04 2.62 -2.30 0.95 0.00 0.00 175.26 176.57 1cf4 n PRO 50 N -0.01 0.28 -3.54 -4.83 -0.02 -1.26 -3.91 135.00 121.71 1cf4 n PRO 50 Ca -0.12 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.26 1cf4 n PRO 50 Cb 0.60 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 9.79 -0.39 0.05 6.00 6.14 -1.17 -4.93 117.35 132.85 1cf4 s TYR 51 Ca 1.26 0.53 0.01 0.00 0.64 0.00 0.00 57.07 59.51 1cf4 s TYR 51 Cb -0.98 0.48 -0.03 0.00 0.42 0.00 0.00 41.96 41.85 1cf4 s TYR 51 CO 0.43 -0.45 -0.06 0.95 0.64 0.00 0.00 175.55 177.06 1cf4 s THR 52 N -1.88 0.49 0.71 4.34 -4.23 -1.26 -2.27 115.64 111.54 1cf4 s THR 52 Ca -0.00 -1.33 -0.09 0.00 -1.18 0.00 0.00 61.69 59.09 1cf4 s THR 52 Cb -0.01 -0.91 0.05 0.00 1.34 0.00 0.00 72.50 72.97 1cf4 s THR 52 CO -0.01 -0.58 1.04 -1.48 -0.54 0.00 0.00 174.62 173.05 1cf4 s LEU 53 N -2.05 2.84 -0.09 4.79 -0.00 -1.26 -4.98 118.68 117.93 1cf4 s LEU 53 Ca -0.04 0.70 0.15 0.00 -0.00 0.00 0.00 54.13 54.94 1cf4 s LEU 53 Cb -0.05 -3.37 -0.21 0.00 -0.00 0.00 0.00 46.19 42.56 1cf4 s LEU 53 CO -0.02 -1.52 0.18 0.61 -0.00 0.00 0.00 176.35 175.60 1cf4 n GLY 54 N -2.96 -0.74 2.88 -3.48 0.00 -1.26 -4.66 105.19 94.96 1cf4 n GLY 54 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 1cf4 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 55 N -2.34 -6.11 -4.53 0.99 4.32 -1.26 -3.74 117.00 104.32 1cf4 n LEU 55 Ca -0.15 1.23 -0.43 0.00 -0.02 0.00 0.00 56.01 56.64 1cf4 n LEU 55 Cb 0.75 -2.65 -0.04 0.00 -1.62 0.00 0.00 43.42 39.86 1cf4 n LEU 55 CO 0.33 -2.80 0.83 -0.36 -1.22 0.00 0.00 177.39 174.16 1cf4 s PHE 56 N -1.14 2.74 0.35 -1.77 0.40 -0.48 -2.47 117.98 115.61 1cf4 s PHE 56 Ca -0.05 0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.42 1cf4 s PHE 56 Cb 0.00 -4.18 -0.02 0.00 0.51 0.00 0.00 43.02 39.33 1cf4 s PHE 56 CO 0.48 -1.42 0.32 -0.51 0.70 0.00 0.00 175.22 174.79 1cf4 s ASP 57 N 2.91 5.28 0.31 1.36 1.01 -1.26 -4.09 116.67 122.20 1cf4 s ASP 57 Ca 0.33 -0.52 -0.09 0.00 0.71 0.00 0.00 52.55 52.98 1cf4 s ASP 57 Cb -0.12 -0.91 -0.06 0.00 1.01 0.00 0.00 42.92 42.84 1cf4 s ASP 57 CO 0.20 -0.41 0.64 0.42 0.21 0.00 0.00 175.17 176.23 1cf4 s THR 58 N -2.33 4.89 -0.30 -1.27 -4.23 -1.26 -4.82 115.64 106.32 1cf4 s THR 58 Ca 0.43 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1cf4 s THR 58 Cb -0.06 -3.69 0.19 0.00 1.34 0.00 0.00 72.50 70.28 1cf4 s THR 58 CO 0.27 -0.30 0.96 0.00 -0.54 0.00 0.00 174.62 175.01 1cf4 s ALA 59 N -2.09 -3.72 -1.11 3.99 0.00 -1.26 -4.84 121.76 112.72 1cf4 s ALA 59 Ca 0.48 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.70 1cf4 s ALA 59 Cb -0.11 -2.77 0.29 0.00 0.00 0.00 0.00 23.12 20.53 1cf4 s ALA 59 CO 0.27 -2.03 1.51 0.41 0.00 0.00 0.00 175.76 175.92 1cf4 n GLY 60 N 5.18 5.07 0.00 0.00 0.00 -1.23 -3.87 105.19 110.34 1cf4 n GLY 60 Ca 0.08 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 1.72 0.00 -0.05 0.99 4.32 -1.26 -4.80 117.00 117.92 1cf4 n LEU 61 Ca 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.28 1cf4 n LEU 61 Cb 0.34 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.97 1cf4 n LEU 61 CO 0.72 0.00 -0.93 -0.62 -1.22 0.00 0.00 177.39 175.34 1cf4 n GLU 62 N 0.00 0.67 0.15 3.23 1.02 -1.26 -4.59 120.64 119.86 1cf4 n GLU 62 Ca 0.00 -0.10 -0.06 0.00 -0.02 0.00 0.00 57.16 56.97 1cf4 n GLU 62 Cb 0.00 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.86 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cf4 h ASP 63 N 0.00 -0.35 -2.29 1.62 1.82 -1.93 -3.46 116.42 111.83 1cf4 h ASP 63 Ca -0.25 0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.28 1cf4 h ASP 63 Cb 1.58 0.09 -0.28 0.00 0.68 0.00 0.00 39.33 41.40 1cf4 h ASP 63 CO 0.01 -0.08 -0.42 -0.72 -1.61 0.00 0.00 179.24 176.43 1cf4 s TYR 64 N -3.04 -0.80 -0.75 0.28 -0.85 -1.25 -5.01 117.35 105.93 1cf4 s TYR 64 Ca -0.06 1.25 0.25 0.00 -0.52 0.00 0.00 57.07 57.99 1cf4 s TYR 64 Cb 0.01 0.19 0.57 0.00 0.38 0.00 0.00 41.96 43.10 1cf4 s TYR 64 CO 0.18 -0.57 1.51 -0.25 -1.52 0.00 0.00 175.55 174.90 1cf4 n ASP 65 N 5.38 0.64 -0.13 -0.18 8.00 -1.26 -3.50 116.55 125.50 1cf4 n ASP 65 Ca -0.06 0.23 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 1cf4 n ASP 65 Cb 0.50 -0.14 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 1cf4 n ASP 65 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cf4 n ARG 66 N -2.01 0.58 0.00 -1.24 5.12 -1.26 -4.78 116.66 113.07 1cf4 n ARG 66 Ca 0.04 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1cf4 n ARG 66 Cb 0.41 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1cf4 n ARG 66 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1cf4 n LEU 67 N -4.29 0.00 0.08 0.55 4.77 -1.26 -4.96 117.00 111.88 1cf4 n LEU 67 Ca -0.49 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1cf4 n LEU 67 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1cf4 n LEU 67 CO 0.07 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.67 1cf4 n ARG 68 N 2.37 0.00 -0.33 3.23 1.74 -1.26 -5.02 116.66 117.40 1cf4 n ARG 68 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1cf4 n ARG 68 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1cf4 n ARG 68 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1cf4 n PRO 69 N -3.00 -0.34 -0.15 5.56 -0.02 -1.26 0.16 135.00 135.94 1cf4 n PRO 69 Ca 0.00 1.20 0.28 0.00 -2.02 0.00 0.00 63.50 62.96 1cf4 n PRO 69 Cb 0.00 -1.76 0.65 0.00 -0.02 0.00 0.00 33.50 32.37 1cf4 n PRO 69 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1cf4 h LEU 70 N 0.00 0.00 0.00 2.45 8.10 -1.92 -2.52 115.31 121.42 1cf4 h LEU 70 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.11 1cf4 h LEU 70 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1cf4 h LEU 70 CO -0.73 0.00 0.00 -0.24 -4.11 0.00 0.00 178.44 173.36 1cf4 n SER 71 N -3.67 0.00 -4.90 0.17 2.88 0.42 -4.89 113.62 103.62 1cf4 n SER 71 Ca 0.19 0.61 -0.31 0.00 -1.33 0.00 0.00 58.87 58.03 1cf4 n SER 71 Cb 1.14 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 64.08 1cf4 n SER 71 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1cf4 s TYR 72 N -1.48 3.47 -0.17 0.66 1.51 -0.95 -4.46 117.35 115.93 1cf4 s TYR 72 Ca 0.00 0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 56.32 1cf4 s TYR 72 Cb 0.00 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1cf4 s TYR 72 CO 0.00 0.43 1.20 -1.25 -1.11 0.00 0.00 175.55 174.82 1cf4 s PRO 73 N -2.69 4.26 -0.15 -1.71 0.04 -1.26 -4.63 135.00 128.86 1cf4 s PRO 73 Ca 0.41 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1cf4 s PRO 73 Cb -0.12 -3.71 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1cf4 s PRO 73 CO 0.25 -0.65 -0.31 1.04 0.04 0.00 0.00 177.00 177.37 1cf4 n GLN 74 N 6.33 0.46 -1.81 4.56 3.00 -1.26 -5.04 117.38 123.63 1cf4 n GLN 74 Ca 0.13 0.18 -0.25 0.00 -0.01 0.00 0.00 57.00 57.05 1cf4 n GLN 74 Cb 0.45 -1.31 0.17 0.00 0.00 0.00 0.00 30.24 29.55 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 -4.31 0.00 -0.05 5.09 5.66 -1.26 -5.00 114.28 114.41 1cf4 n THR 75 Ca -0.12 -0.96 0.09 0.00 -3.05 0.00 0.00 64.05 60.01 1cf4 n THR 75 Cb 0.45 -1.46 0.22 0.00 -1.55 0.00 0.00 70.33 67.99 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 -3.62 3.34 -3.23 1.09 2.03 -1.26 -4.85 116.55 110.05 1cf4 n ASP 76 Ca 0.15 -1.95 -0.01 0.00 0.52 0.00 0.00 54.79 53.49 1cf4 n ASP 76 Cb 0.52 -0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.13 -0.84 0.73 5.18 0.11 -1.25 -3.39 120.40 119.82 1cf4 s VAL 77 Ca 0.35 -0.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.25 1cf4 s VAL 77 Cb 0.19 -0.95 0.16 0.00 -1.53 0.00 0.00 36.38 34.26 1cf4 s VAL 77 CO 0.26 -0.07 1.00 0.49 -3.33 0.00 0.00 175.10 173.44 1cf4 n PHE 78 N 5.40 -3.72 -4.09 1.54 3.01 0.35 -4.74 117.46 115.22 1cf4 n PHE 78 Ca -0.00 -1.09 -0.33 0.00 1.01 0.00 0.00 57.45 57.04 1cf4 n PHE 78 Cb 0.51 -0.76 -0.16 0.00 -0.01 0.00 0.00 39.48 39.06 1cf4 n PHE 78 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1cf4 s LEU 79 N 0.00 2.51 -0.42 4.37 1.98 -1.17 -1.08 118.68 124.86 1cf4 s LEU 79 Ca 0.59 -0.80 -0.05 0.00 -2.89 0.00 0.00 54.13 50.98 1cf4 s LEU 79 Cb -0.02 -1.52 0.11 0.00 0.66 0.00 0.00 46.19 45.42 1cf4 s LEU 79 CO 0.41 -0.05 0.24 -0.69 -1.89 0.00 0.00 176.35 174.37 1cf4 s VAL 80 N 1.27 3.55 -0.09 1.68 1.01 0.16 -1.84 120.40 126.13 1cf4 s VAL 80 Ca 0.02 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.04 1cf4 s VAL 80 Cb -0.15 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1cf4 s VAL 80 CO -0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 175.10 174.25 1cf4 s PHE 82 N -0.56 -0.17 -0.02 0.00 -0.12 -1.26 -2.67 117.98 113.17 1cf4 s PHE 82 Ca 0.09 0.37 -0.27 0.00 -0.05 0.00 0.00 56.93 57.07 1cf4 s PHE 82 Cb -0.12 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 1cf4 s PHE 82 CO 0.02 -0.24 0.84 -1.12 -0.05 0.00 0.00 175.22 174.66 1cf4 s SER 83 N -0.65 7.19 0.00 1.98 0.01 -1.26 -4.87 113.70 116.10 1cf4 s SER 83 Ca -0.07 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1cf4 s SER 83 Cb -0.04 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1cf4 s SER 83 CO 0.02 -0.17 0.81 0.52 0.41 0.00 0.00 173.24 174.84 1cf4 n VAL 84 N 3.71 0.00 -1.64 3.43 0.31 -1.26 -4.48 118.33 118.40 1cf4 n VAL 84 Ca 0.02 1.31 -0.62 0.00 -0.01 0.00 0.00 64.34 65.05 1cf4 n VAL 84 Cb 0.51 -1.96 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 1cf4 n VAL 84 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1cf4 n VAL 85 N -2.01 0.12 -3.72 2.52 0.24 -1.26 -3.95 118.33 110.27 1cf4 n VAL 85 Ca 0.00 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.14 1cf4 n VAL 85 Cb 0.00 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 31.42 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 3.98 -0.46 -0.73 -1.34 0.01 -1.26 -5.04 113.70 108.86 1cf4 s SER 86 Ca 1.05 0.86 -0.04 0.00 1.31 0.00 0.00 55.95 59.13 1cf4 s SER 86 Cb -1.30 0.83 0.13 0.00 0.21 0.00 0.00 66.02 65.88 1cf4 s SER 86 CO 0.71 -0.16 2.53 -0.81 0.41 0.00 0.00 173.24 175.93 1cf4 n PRO 87 N 3.29 3.11 -1.56 12.44 -0.04 -1.26 -4.35 135.00 146.63 1cf4 n PRO 87 Ca -0.16 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.41 1cf4 n PRO 87 Cb 0.57 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1cf4 n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cf4 n SER 88 N 0.81 -1.68 -0.04 3.54 2.88 -1.26 -4.29 113.62 113.58 1cf4 n SER 88 Ca 0.52 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.05 1cf4 n SER 88 Cb 0.42 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 1cf4 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cf4 n SER 89 N 1.92 0.28 -0.16 -3.46 2.88 -1.26 -4.36 113.62 109.46 1cf4 n SER 89 Ca 0.00 0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1cf4 n SER 89 Cb 0.30 0.98 0.06 0.00 -0.75 0.00 0.00 64.21 64.80 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1cf4 h PHE 90 N 0.00 0.25 0.13 0.66 3.57 -1.92 -1.23 116.94 118.40 1cf4 h PHE 90 Ca -0.29 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1cf4 h PHE 90 Cb 1.72 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.38 1cf4 h PHE 90 CO 0.00 0.06 -0.45 0.93 -2.23 0.00 0.00 178.31 176.62 1cf4 h GLU 91 N 0.30 -0.67 -0.78 1.11 5.08 -2.01 -1.47 114.58 116.14 1cf4 h GLU 91 Ca 0.24 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.75 1cf4 h GLU 91 Cb 0.28 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.61 1cf4 h GLU 91 CO -0.27 -0.45 0.41 -0.97 -1.00 0.00 0.00 179.01 176.73 1cf4 h ASN 92 N -0.70 0.55 -0.61 1.42 -0.73 -1.71 -1.67 115.58 112.14 1cf4 h ASN 92 Ca 0.01 0.06 0.09 0.00 1.87 0.00 0.00 56.30 58.33 1cf4 h ASN 92 Cb 0.71 -0.04 -0.07 0.00 0.27 0.00 0.00 38.32 39.20 1cf4 h ASN 92 CO -0.25 0.30 0.24 0.58 -0.37 0.00 0.00 177.43 177.93 1cf4 h VAL 93 N 0.67 0.80 0.49 2.57 2.07 -0.51 0.68 116.25 123.03 1cf4 h VAL 93 Ca 0.39 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1cf4 h VAL 93 Cb 0.42 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1cf4 h VAL 93 CO -0.28 0.08 -0.25 0.50 0.02 0.00 0.00 177.57 177.64 1cf4 h LYS 94 N 0.44 -0.66 0.00 1.57 3.64 -0.35 1.23 116.57 122.43 1cf4 h LYS 94 Ca 0.30 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1cf4 h LYS 94 Cb 0.35 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1cf4 h LYS 94 CO -0.28 -0.44 0.00 0.39 -2.27 0.00 0.00 179.45 176.84 1cf4 n GLU 95 N -5.39 0.89 -0.01 1.90 -0.58 -1.00 -2.19 120.64 114.26 1cf4 n GLU 95 Ca -0.12 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.65 1cf4 n GLU 95 Cb 0.29 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cf4 n LYS 96 N -0.99 0.88 -0.10 3.49 4.81 0.24 -4.59 118.16 121.90 1cf4 n LYS 96 Ca 0.21 -0.06 -0.15 0.00 -0.87 0.00 0.00 58.31 57.44 1cf4 n LYS 96 Cb 0.10 -1.20 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1cf4 n TRP 97 N -1.92 0.68 -0.26 5.64 7.02 0.42 -4.00 117.44 125.01 1cf4 n TRP 97 Ca -0.04 0.29 -0.07 0.00 -1.02 0.00 0.00 57.50 56.66 1cf4 n TRP 97 Cb 0.36 -0.88 -0.02 0.00 -2.42 0.00 0.00 31.31 28.35 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1cf4 h VAL 98 N -1.00 0.07 0.00 -0.99 2.07 -1.61 0.76 116.25 115.55 1cf4 h VAL 98 Ca -0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1cf4 h VAL 98 Cb 1.02 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1cf4 h VAL 98 CO -0.14 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.00 1cf4 h PRO 99 N -0.15 0.00 0.07 1.57 0.13 -1.80 -2.76 132.00 129.05 1cf4 h PRO 99 Ca 0.22 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.06 1cf4 h PRO 99 Cb 0.55 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1cf4 h PRO 99 CO -0.77 0.00 -1.55 0.93 -0.23 0.00 0.00 178.00 176.38 1cf4 h GLU 100 N 0.00 0.14 0.07 0.86 5.08 0.05 -3.23 114.58 117.56 1cf4 h GLU 100 Ca 0.00 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1cf4 h GLU 100 Cb 0.13 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1cf4 h GLU 100 CO 0.00 1.11 -0.39 0.82 -1.00 0.00 0.00 179.01 179.55 1cf4 h ILE 101 N -0.49 0.19 0.00 3.13 1.08 0.47 -0.62 117.51 121.27 1cf4 h ILE 101 Ca -0.37 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1cf4 h ILE 101 Cb 1.65 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1cf4 h ILE 101 CO -0.06 0.00 -0.06 0.71 -0.69 0.00 0.00 178.15 178.05 1cf4 h THR 102 N -0.60 0.27 0.10 -0.27 1.35 -1.62 0.36 112.91 112.51 1cf4 h THR 102 Ca 0.04 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1cf4 h THR 102 Cb 0.65 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1cf4 h THR 102 CO -0.26 0.06 -0.05 -0.74 -0.25 0.00 0.00 175.52 174.28 1cf4 h HIS 103 N 0.00 -0.12 0.00 4.73 6.17 -1.14 -2.29 115.15 122.49 1cf4 h HIS 103 Ca -0.00 -0.00 -0.12 0.00 0.71 0.00 0.00 60.37 60.96 1cf4 h HIS 103 Cb 0.31 0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.26 1cf4 h HIS 103 CO 0.00 -0.08 -0.56 0.45 0.71 0.00 0.00 177.93 178.45 1cf4 h HIS 104 N -0.16 0.00 -2.59 5.26 3.86 -1.43 -3.36 115.15 116.73 1cf4 h HIS 104 Ca -0.01 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.59 1cf4 h HIS 104 Cb 0.10 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.15 1cf4 h HIS 104 CO 0.15 0.56 -0.64 0.00 0.86 0.00 0.00 177.93 178.86 1cf4 n PRO 106 N 1.51 2.38 -3.92 0.00 -0.02 -0.86 -1.89 135.00 132.19 1cf4 n PRO 106 Ca 0.25 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 62.27 1cf4 n PRO 106 Cb 0.40 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.01 -4.29 -3.62 -0.52 4.76 -1.26 -4.93 118.16 111.31 1cf4 n LYS 107 Ca 0.14 0.50 -0.40 0.00 -2.87 0.00 0.00 58.31 55.68 1cf4 n LYS 107 Cb 0.32 -5.31 -0.10 0.00 -1.84 0.00 0.00 35.03 28.11 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1cf4 s THR 108 N -3.22 3.99 1.26 -0.18 2.01 -0.79 -5.05 115.64 113.66 1cf4 s THR 108 Ca 0.65 -1.72 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 1cf4 s THR 108 Cb -0.34 -3.59 0.32 0.00 0.01 0.00 0.00 72.50 68.91 1cf4 s THR 108 CO 0.80 -0.66 0.99 -2.84 -0.69 0.00 0.00 174.62 172.22 1cf4 s PRO 109 N 1.33 -1.66 0.30 4.92 0.02 -1.22 -4.71 135.00 133.98 1cf4 s PRO 109 Ca 0.05 0.69 -0.10 0.00 0.02 0.00 0.00 61.00 61.66 1cf4 s PRO 109 Cb -0.24 -1.48 0.04 0.00 0.02 0.00 0.00 34.50 32.84 1cf4 s PRO 109 CO -0.01 -4.18 0.58 1.97 -0.33 0.00 0.00 177.00 175.03 1cf4 n PHE 110 N -5.22 -1.94 -3.95 6.54 1.16 -1.26 0.13 117.46 112.92 1cf4 n PHE 110 Ca 0.04 -1.47 -0.09 0.00 -1.87 0.00 0.00 57.45 54.05 1cf4 n PHE 110 Cb 0.55 0.67 -0.10 0.00 -1.61 0.00 0.00 39.48 39.00 1cf4 n PHE 110 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1cf4 s LEU 111 N 0.00 1.99 0.26 5.98 0.20 -0.24 -3.04 118.68 123.83 1cf4 s LEU 111 Ca 0.13 -0.52 0.06 0.00 0.69 0.00 0.00 54.13 54.50 1cf4 s LEU 111 Cb -0.03 0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 46.09 1cf4 s LEU 111 CO 0.10 -0.42 0.34 -0.76 -0.29 0.00 0.00 176.35 175.32 1cf4 s LEU 112 N -1.85 4.12 0.05 -0.68 2.01 -1.26 0.40 118.68 121.47 1cf4 s LEU 112 Ca -0.09 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 53.98 1cf4 s LEU 112 Cb -0.04 -2.70 -0.03 0.00 0.01 0.00 0.00 46.19 43.42 1cf4 s LEU 112 CO -0.03 -0.14 -0.04 -0.69 1.01 0.00 0.00 176.35 176.46 1cf4 s VAL 113 N -2.06 0.31 -0.12 -1.59 1.01 -1.22 -4.11 120.40 112.63 1cf4 s VAL 113 Ca 0.36 -1.45 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1cf4 s VAL 113 Cb -0.09 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1cf4 s VAL 113 CO 0.28 -0.74 0.08 -0.83 0.00 0.00 0.00 175.10 173.90 1cf4 s GLY 114 N -2.30 0.28 0.00 4.51 0.00 -0.75 -4.54 107.32 104.52 1cf4 s GLY 114 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1cf4 s GLY 114 CO -0.05 1.60 0.00 -1.30 0.00 0.00 0.00 173.10 173.35 1cf4 n THR 115 N 5.29 0.00 0.24 0.90 -2.24 -1.26 0.17 114.28 117.38 1cf4 n THR 115 Ca -0.05 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1cf4 n THR 115 Cb 0.49 -1.08 0.74 0.00 -2.10 0.00 0.00 70.33 68.38 1cf4 n THR 115 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1cf4 h GLN 116 N 0.00 0.00 -1.66 -0.78 4.15 -1.94 -3.05 115.11 111.82 1cf4 h GLN 116 Ca 0.00 0.00 0.48 0.00 0.77 0.00 0.00 58.65 59.90 1cf4 h GLN 116 Cb 0.65 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.28 1cf4 h GLN 116 CO 0.00 0.00 1.34 -0.84 -1.93 0.00 0.00 178.83 177.40 1cf4 h ILE 117 N 0.00 0.02 0.00 2.39 -2.65 -1.90 1.24 117.51 116.61 1cf4 h ILE 117 Ca 0.00 0.00 -0.07 0.00 1.03 0.00 0.00 64.86 65.82 1cf4 h ILE 117 Cb 0.07 0.03 -0.01 0.00 -2.05 0.00 0.00 36.82 34.86 1cf4 h ILE 117 CO 0.00 0.00 -0.33 -2.24 0.03 0.00 0.00 178.15 175.61 1cf4 h ASP 118 N 0.00 0.00 -0.48 2.16 3.04 -1.92 -2.80 116.42 116.42 1cf4 h ASP 118 Ca 0.79 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.58 1cf4 h ASP 118 Cb 3.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 41.75 1cf4 h ASP 118 CO -0.01 0.33 0.00 0.00 -2.04 0.00 0.00 179.24 177.52 1cf4 n LEU 119 N -4.08 3.90 0.29 0.15 -0.00 0.42 -4.45 117.00 113.24 1cf4 n LEU 119 Ca -0.02 -2.37 0.18 0.00 -0.00 0.00 0.00 56.01 53.81 1cf4 n LEU 119 Cb 0.38 -0.45 0.84 0.00 -0.00 0.00 0.00 43.42 44.18 1cf4 n LEU 119 CO 0.38 0.78 1.04 0.08 -0.00 0.00 0.00 177.39 179.67 1cf4 h ARG 120 N 2.97 0.00 0.00 1.47 -0.00 -1.28 -2.01 114.38 115.53 1cf4 h ARG 120 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.83 1cf4 h ARG 120 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.11 1cf4 h ARG 120 CO 0.13 0.02 -1.04 0.22 -0.00 0.00 0.00 179.97 179.30 1cf4 h ASP 121 N 0.00 0.00 -0.89 0.08 1.82 -1.79 -3.45 116.42 112.18 1cf4 h ASP 121 Ca -0.00 0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.06 1cf4 h ASP 121 Cb 0.36 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 1cf4 h ASP 121 CO 0.00 0.60 1.56 0.47 -1.61 0.00 0.00 179.24 180.26 1cf4 n ASP 122 N -3.06 1.65 0.00 2.28 9.92 -0.76 -4.77 116.55 121.81 1cf4 n ASP 122 Ca -0.05 0.13 0.05 0.00 -0.53 0.00 0.00 54.79 54.39 1cf4 n ASP 122 Cb 0.82 -1.24 0.22 0.00 -0.64 0.00 0.00 41.12 40.27 1cf4 n ASP 122 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1cf4 n PRO 123 N 8.45 0.07 0.03 -0.24 -0.04 -1.26 -2.27 135.00 139.73 1cf4 n PRO 123 Ca 0.47 0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 64.18 1cf4 n PRO 123 Cb 0.25 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cf4 h SER 124 N 0.00 -0.09 -0.96 3.54 0.87 -1.95 -1.73 113.55 113.23 1cf4 h SER 124 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1cf4 h SER 124 Cb 0.12 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1cf4 h SER 124 CO 0.00 0.03 0.63 0.74 -0.53 0.00 0.00 176.83 177.70 1cf4 h THR 125 N -0.30 1.13 -0.67 2.23 2.02 -1.91 -0.80 112.91 114.61 1cf4 h THR 125 Ca -0.01 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 66.86 1cf4 h THR 125 Cb 0.08 -0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.28 1cf4 h THR 125 CO 0.02 0.21 0.30 -0.29 0.37 0.00 0.00 175.52 176.14 1cf4 h ILE 126 N 1.18 0.82 -0.76 3.11 6.09 -1.56 0.12 117.51 126.50 1cf4 h ILE 126 Ca 0.39 -0.18 0.06 0.00 -1.37 0.00 0.00 64.86 63.76 1cf4 h ILE 126 Cb 0.07 0.25 -0.05 0.00 0.47 0.00 0.00 36.82 37.56 1cf4 h ILE 126 CO -0.13 0.10 0.50 -0.33 -3.07 0.00 0.00 178.15 175.21 1cf4 h GLU 127 N 0.52 0.81 -0.06 2.19 4.39 -0.19 0.30 114.58 122.56 1cf4 h GLU 127 Ca 0.33 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1cf4 h GLU 127 Cb 0.37 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1cf4 h GLU 127 CO -0.28 0.54 -0.13 0.87 -1.16 0.00 0.00 179.01 178.85 1cf4 h LYS 128 N 0.84 0.09 -0.07 2.33 6.56 -0.42 -0.81 116.57 125.09 1cf4 h LYS 128 Ca 0.32 -0.02 -0.23 0.00 -1.06 0.00 0.00 60.65 59.67 1cf4 h LYS 128 Cb 0.20 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.85 1cf4 h LYS 128 CO -0.11 0.22 -0.87 -0.07 -2.06 0.00 0.00 179.45 176.57 1cf4 h LEU 129 N 0.08 0.76 -1.69 2.94 3.38 0.13 -3.12 115.31 117.79 1cf4 h LEU 129 Ca 0.02 -0.54 0.39 0.00 0.09 0.00 0.00 57.88 57.83 1cf4 h LEU 129 Cb 0.29 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1cf4 h LEU 129 CO 0.02 1.33 0.90 0.00 0.09 0.00 0.00 178.44 180.78 1cf4 h ALA 130 N 0.64 2.92 -1.06 1.53 0.00 0.77 1.49 119.26 125.55 1cf4 h ALA 130 Ca -0.07 0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.14 1cf4 h ALA 130 Cb 1.49 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.31 1cf4 h ALA 130 CO 0.16 -1.39 0.70 0.87 0.00 0.00 0.00 179.25 179.59 1cf4 h LYS 131 N 0.12 0.29 0.00 0.00 1.79 -1.47 -3.15 116.57 114.15 1cf4 h LYS 131 Ca 0.70 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1cf4 h LYS 131 Cb 2.40 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.99 1cf4 h LYS 131 CO -0.19 0.19 -0.84 0.09 -1.08 0.00 0.00 179.45 177.62 1cf4 n ASN 132 N -4.53 4.10 0.00 0.86 3.02 0.17 -5.08 115.26 113.80 1cf4 n ASN 132 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1cf4 n ASN 132 Cb 0.95 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 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 -4.69 118.16 120.38 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 -2.03 1.97 10.64 -1.20 -3.89 117.38 122.87 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 3.42 0.09 2.61 -0.14 -1.26 -4.82 119.74 119.64 1cf4 s LYS 135 Ca 0.00 1.44 -0.29 0.00 -1.36 0.00 0.00 55.97 55.76 1cf4 s LYS 135 Cb 0.00 -4.16 -0.06 0.00 -1.68 0.00 0.00 37.83 31.93 1cf4 s LYS 135 CO 0.00 -1.75 0.93 -1.25 -0.76 0.00 0.00 175.35 172.51 1cf4 s PRO 136 N 5.47 4.66 -0.64 -1.68 0.04 -1.26 -4.67 135.00 136.91 1cf4 s PRO 136 Ca 0.78 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 1cf4 s PRO 136 Cb -0.22 -3.38 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 1cf4 s PRO 136 CO 0.33 0.21 2.19 0.42 0.04 0.00 0.00 177.00 180.19 1cf4 s ILE 137 N 0.03 3.17 0.45 0.56 1.09 -1.25 -4.93 121.20 120.32 1cf4 s ILE 137 Ca 0.46 0.00 -0.23 0.00 -1.10 0.00 0.00 60.65 59.77 1cf4 s ILE 137 Cb -0.23 -3.43 -0.07 0.00 -1.06 0.00 0.00 42.46 37.67 1cf4 s ILE 137 CO 0.29 -0.41 1.19 0.42 -0.10 0.00 0.00 174.94 176.33 1cf4 s THR 138 N 11.52 2.99 0.57 2.92 -4.23 -1.26 -4.83 115.64 123.33 1cf4 s THR 138 Ca 0.84 0.77 0.39 0.00 -1.18 0.00 0.00 61.69 62.50 1cf4 s THR 138 Cb -0.13 -3.40 0.57 0.00 1.34 0.00 0.00 72.50 70.87 1cf4 s THR 138 CO 0.17 0.01 1.58 -0.65 -0.54 0.00 0.00 174.62 175.20 1cf4 h PRO 139 N 2.14 0.00 0.12 3.99 0.11 -1.94 1.21 132.00 137.63 1cf4 h PRO 139 Ca -0.49 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 1cf4 h PRO 139 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1cf4 h PRO 139 CO 0.60 0.00 -1.22 0.93 -0.21 0.00 0.00 178.00 178.11 1cf4 h GLU 140 N 0.00 0.40 0.20 1.05 5.08 -1.97 -3.24 114.58 116.10 1cf4 h GLU 140 Ca 0.66 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1cf4 h GLU 140 Cb 2.94 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 32.36 1cf4 h GLU 140 CO -0.01 1.26 -0.34 1.15 -1.00 0.00 0.00 179.01 180.07 1cf4 h THR 141 N 0.15 0.29 -0.90 1.13 2.02 0.12 -0.62 112.91 115.10 1cf4 h THR 141 Ca -0.15 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.20 1cf4 h THR 141 Cb 1.91 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 68.54 1cf4 h THR 141 CO 0.21 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.69 1cf4 h ALA 142 N -0.05 1.96 -0.57 6.16 0.00 -1.64 0.96 119.26 126.08 1cf4 h ALA 142 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1cf4 h ALA 142 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cf4 h ALA 142 CO -0.15 -0.23 0.02 1.49 0.00 0.00 0.00 179.25 180.38 1cf4 h GLU 143 N 0.59 0.98 0.05 0.00 4.81 -1.31 0.39 114.58 120.09 1cf4 h GLU 143 Ca 0.47 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1cf4 h GLU 143 Cb 0.90 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1cf4 h GLU 143 CO -0.21 0.95 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.78 1cf4 h LYS 144 N 0.90 -0.06 -0.14 1.92 1.63 0.65 0.26 116.57 121.72 1cf4 h LYS 144 Ca 0.17 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.84 1cf4 h LYS 144 Cb 0.50 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1cf4 h LYS 144 CO 0.02 0.12 -0.48 1.25 -3.45 0.00 0.00 179.45 176.91 1cf4 h LEU 145 N -0.24 0.40 -0.28 5.20 6.46 -1.29 -0.37 115.31 125.19 1cf4 h LEU 145 Ca -0.01 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.49 1cf4 h LEU 145 Cb 0.21 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1cf4 h LEU 145 CO 0.01 0.82 -0.09 0.00 -0.62 0.00 0.00 178.44 178.57 1cf4 h ALA 146 N 1.19 0.38 0.00 1.25 0.00 -0.06 -2.95 119.26 119.07 1cf4 h ALA 146 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1cf4 h ALA 146 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1cf4 h ALA 146 CO 0.08 0.21 -0.24 0.00 0.00 0.00 0.00 179.25 179.31 1cf4 h ARG 147 N 0.30 0.00 -0.45 0.00 3.08 -0.43 -2.11 114.38 114.77 1cf4 h ARG 147 Ca 0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1cf4 h ARG 147 Cb 0.57 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1cf4 h ARG 147 CO 0.03 0.24 0.17 0.22 -1.07 0.00 0.00 179.97 179.56 1cf4 h ASP 148 N 0.00 0.19 -0.45 7.04 3.58 -0.88 -0.96 116.42 124.93 1cf4 h ASP 148 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1cf4 h ASP 148 Cb 0.94 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1cf4 h ASP 148 CO 0.03 0.14 0.00 0.18 -2.88 0.00 0.00 179.24 176.71 1cf4 n LEU 149 N -4.99 4.67 -4.31 2.28 4.77 -1.22 -4.91 117.00 113.29 1cf4 n LEU 149 Ca 0.04 -2.37 -0.38 0.00 -0.03 0.00 0.00 56.01 53.26 1cf4 n LEU 149 Cb 0.16 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1cf4 n LEU 149 CO 0.26 0.55 -0.07 0.29 -1.33 0.00 0.00 177.39 177.09 1cf4 n LYS 150 N 0.51 -2.46 0.00 3.23 5.02 -0.37 -4.89 118.16 119.20 1cf4 n LYS 150 Ca 0.22 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1cf4 n LYS 150 Cb 0.98 -4.97 0.00 0.00 -0.02 0.00 0.00 35.03 31.02 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cf4 n ALA 151 N -4.30 0.00 -0.38 7.82 0.00 -0.80 -4.92 120.51 117.94 1cf4 n ALA 151 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cf4 n ALA 151 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.42 0.00 0.00 0.00 0.31 -1.17 -4.49 118.33 112.56 1cf4 n VAL 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1cf4 n VAL 152 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1cf4 n VAL 152 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cf4 n LYS 153 N -1.93 0.00 -3.41 5.55 3.00 -1.26 -4.94 118.16 115.17 1cf4 n LYS 153 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1cf4 n LYS 153 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 1cf4 n LYS 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1cf4 s TYR 154 N -0.56 3.21 0.16 5.64 6.14 -1.26 -4.07 117.35 126.60 1cf4 s TYR 154 Ca 0.00 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.43 1cf4 s TYR 154 Cb 0.00 -2.69 0.01 0.00 0.42 0.00 0.00 41.96 39.69 1cf4 s TYR 154 CO 0.00 -0.54 0.06 0.28 0.64 0.00 0.00 175.55 175.99 1cf4 n VAL 155 N 5.27 0.00 -2.73 3.14 0.31 -1.26 -4.82 118.33 118.24 1cf4 n VAL 155 Ca -0.09 -0.68 -0.25 0.00 -0.01 0.00 0.00 64.34 63.31 1cf4 n VAL 155 Cb 0.48 -0.11 0.01 0.00 -0.91 0.00 0.00 33.84 33.32 1cf4 n VAL 155 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1cf4 s GLU 156 N -2.60 3.15 0.11 5.55 8.01 -1.26 -1.80 118.70 129.85 1cf4 s GLU 156 Ca 0.04 -0.16 0.01 0.00 0.01 0.00 0.00 54.97 54.88 1cf4 s GLU 156 Cb -0.00 -2.43 -0.01 0.00 -4.31 0.00 0.00 34.13 27.39 1cf4 s GLU 156 CO 0.03 -0.38 0.05 0.00 0.01 0.00 0.00 175.26 174.97 1cf4 s SER 158 N -1.70 1.97 0.00 0.00 1.04 -1.26 -1.54 113.70 112.21 1cf4 s SER 158 Ca 0.08 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1cf4 s SER 158 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1cf4 s SER 158 CO 0.05 0.02 0.00 0.00 0.98 0.00 0.00 173.24 174.30 1cf4 n ALA 159 N 1.52 0.00 -0.09 5.32 0.00 -1.26 -4.77 120.51 121.23 1cf4 n ALA 159 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1cf4 n ALA 159 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1cf4 n ALA 159 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cf4 n LEU 160 N 0.00 1.91 0.06 0.00 4.32 -1.26 -4.67 117.00 117.36 1cf4 n LEU 160 Ca 0.00 0.32 -0.01 0.00 -0.02 0.00 0.00 56.01 56.31 1cf4 n LEU 160 Cb 0.00 -0.73 -0.06 0.00 -1.62 0.00 0.00 43.42 41.01 1cf4 n LEU 160 CO 0.00 -0.28 -0.04 0.00 -1.22 0.00 0.00 177.39 175.85 1cf4 h THR 161 N -0.97 0.77 -3.76 -5.08 1.03 -1.92 -3.49 112.91 99.48 1cf4 h THR 161 Ca 0.00 -2.28 0.00 0.00 -0.01 0.00 0.00 66.41 64.12 1cf4 h THR 161 Cb 0.97 2.27 0.00 0.00 -1.07 0.00 0.00 68.15 70.32 1cf4 h THR 161 CO 0.00 0.44 -0.12 1.67 -0.01 0.00 0.00 175.52 177.50 1cf4 n GLN 162 N -3.05 -0.69 0.11 0.00 7.27 -1.26 -4.98 117.38 114.77 1cf4 n GLN 162 Ca -0.06 0.98 0.09 0.00 0.07 0.00 0.00 57.00 58.08 1cf4 n GLN 162 Cb 0.84 -2.89 0.01 0.00 2.41 0.00 0.00 30.24 30.60 1cf4 n GLN 162 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1cf4 h LYS 163 N 0.51 0.00 0.00 3.69 1.63 -1.63 -3.48 116.57 117.30 1cf4 h LYS 163 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1cf4 h LYS 163 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1cf4 h LYS 163 CO 0.08 0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.57 1cf4 n GLY 164 N 1.21 3.30 5.00 5.01 0.00 -1.24 -4.89 105.19 113.59 1cf4 n GLY 164 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.31 0.99 0.00 -1.26 -4.28 117.00 112.14 1cf4 n LEU 165 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 56.01 56.34 1cf4 n LEU 165 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 43.42 44.14 1cf4 n LEU 165 CO 0.00 0.00 1.30 0.07 0.00 0.00 0.00 177.39 178.76 1cf4 h LYS 166 N 0.00 0.05 0.00 1.96 2.10 -1.93 -1.43 116.57 117.32 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 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1cf4 h LYS 166 CO 0.00 0.03 0.00 -1.71 -2.00 0.00 0.00 179.45 175.77 1cf4 n ASN 167 N -4.25 0.00 -0.11 7.07 5.15 -1.26 0.11 115.26 121.96 1cf4 n ASN 167 Ca 0.25 0.93 -0.07 0.00 -0.60 0.00 0.00 54.58 55.08 1cf4 n ASN 167 Cb 1.17 -0.43 0.01 0.00 -0.53 0.00 0.00 39.78 40.01 1cf4 n ASN 167 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1cf4 h VAL 168 N 0.00 1.00 -0.80 3.44 3.04 -1.08 -1.65 116.25 120.19 1cf4 h VAL 168 Ca 0.00 -0.14 0.06 0.00 -1.01 0.00 0.00 66.70 65.61 1cf4 h VAL 168 Cb 0.00 0.56 -0.05 0.00 -2.01 0.00 0.00 31.29 29.79 1cf4 h VAL 168 CO 0.00 0.07 0.53 0.15 -1.01 0.00 0.00 177.57 177.31 1cf4 h PHE 169 N 0.41 0.90 -0.78 3.17 3.57 -1.29 0.34 116.94 123.25 1cf4 h PHE 169 Ca 0.16 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1cf4 h PHE 169 Cb 0.05 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 1cf4 h PHE 169 CO -0.09 0.48 0.52 -0.44 -2.23 0.00 0.00 178.31 176.55 1cf4 h ASP 170 N 0.90 0.83 0.11 0.41 3.32 0.18 0.67 116.42 122.82 1cf4 h ASP 170 Ca 0.34 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 1cf4 h ASP 170 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1cf4 h ASP 170 CO -0.12 0.57 -0.25 -0.33 -1.72 0.00 0.00 179.24 177.40 1cf4 h GLU 171 N 0.96 0.25 -0.04 3.56 4.39 -0.52 0.26 114.58 123.45 1cf4 h GLU 171 Ca 0.31 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1cf4 h GLU 171 Cb 0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1cf4 h GLU 171 CO -0.09 0.49 -0.31 0.00 -1.16 0.00 0.00 179.01 177.94 1cf4 h ALA 172 N 1.52 1.42 0.00 3.43 0.00 -0.29 -2.67 119.26 122.68 1cf4 h ALA 172 Ca 0.04 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1cf4 h ALA 172 Cb 0.57 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1cf4 h ALA 172 CO 0.04 0.42 -1.47 1.51 0.00 0.00 0.00 179.25 179.75 1cf4 n ILE 173 N -4.15 1.21 -0.23 0.00 0.00 -0.82 -4.14 119.36 111.23 1cf4 n ILE 173 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 62.75 62.06 1cf4 n ILE 173 Cb 0.37 -0.75 0.14 0.00 0.00 0.00 0.00 39.64 39.40 1cf4 n ILE 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1cf4 h LEU 174 N 0.00 -0.10 -2.63 9.51 3.38 -0.13 1.37 115.31 126.70 1cf4 h LEU 174 Ca -0.18 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cf4 h LEU 174 Cb 1.63 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1cf4 h LEU 174 CO 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 178.44 178.50 1cf4 h ALA 175 N 1.58 1.25 0.03 1.53 0.00 -1.68 -0.21 119.26 121.77 1cf4 h ALA 175 Ca 0.37 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.90 1cf4 h ALA 175 Cb 0.61 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1cf4 h ALA 175 CO -0.51 0.01 -2.31 0.00 0.00 0.00 0.00 179.25 176.44 1cf4 n ALA 176 N -2.20 1.31 0.27 0.00 0.00 0.24 -4.26 120.51 115.87 1cf4 n ALA 176 Ca -0.03 -0.99 0.15 0.00 0.00 0.00 0.00 53.44 52.57 1cf4 n ALA 176 Cb 0.10 -0.29 0.68 0.00 0.00 0.00 0.00 19.45 19.93 1cf4 n ALA 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cf4 h LEU 177 N 0.02 0.00 -7.00 0.00 5.85 0.18 -3.42 115.31 110.94 1cf4 h LEU 177 Ca -0.52 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.42 1cf4 h LEU 177 Cb 1.98 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.82 1cf4 h LEU 177 CO -0.02 0.08 0.76 -1.61 -0.34 0.00 0.00 178.44 177.31 1cf4 s GLU 178 N -3.80 0.37 -0.37 1.25 2.02 -0.12 -4.79 118.70 113.26 1cf4 s GLU 178 Ca -0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 1cf4 s GLU 178 Cb 0.10 0.17 -0.00 0.00 0.10 0.00 0.00 34.13 34.50 1cf4 s GLU 178 CO 0.56 -0.15 1.53 -1.25 0.02 0.00 0.00 175.26 175.97 1cf4 s PRO 179 N -2.24 3.54 0.65 0.39 0.04 -1.26 -3.96 135.00 132.16 1cf4 s PRO 179 Ca 0.08 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 1cf4 s PRO 179 Cb -0.01 -4.07 0.01 0.00 0.04 0.00 0.00 34.50 30.48 1cf4 s PRO 179 CO -0.05 -1.60 1.00 -1.25 0.04 0.00 0.00 177.00 175.14 1cf4 s PRO 180 N 5.07 2.87 -0.31 0.56 0.04 -1.26 -5.07 135.00 136.90 1cf4 s PRO 180 Ca 0.67 0.22 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 1cf4 s PRO 180 Cb -0.17 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.27 1cf4 s PRO 180 CO 0.32 -0.88 0.03 -1.83 0.04 0.00 0.00 177.00 174.69 1cf4 s GLU 181 N -5.18 2.50 0.00 4.56 -1.05 -1.26 -5.11 118.70 113.17 1cf4 s GLU 181 Ca 0.56 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1cf4 s GLU 181 Cb -0.11 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.32 1cf4 s GLU 181 CO 0.48 -0.63 0.00 -0.35 0.95 0.00 0.00 175.26 175.72 1cf4 n PRO 182 N 4.68 0.10 -2.25 -4.83 -0.04 -1.26 -4.85 135.00 126.55 1cf4 n PRO 182 Ca -0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 1cf4 n PRO 182 Cb 0.44 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 1cf4 n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cf4 s LYS 183 N -1.47 2.99 0.00 0.54 1.02 -1.26 -5.20 119.74 116.36 1cf4 s LYS 183 Ca 0.00 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.05 1cf4 s LYS 183 Cb 0.00 -5.25 0.00 0.00 -0.52 0.00 0.00 37.83 32.06 1cf4 s LYS 183 CO 0.00 -3.09 0.00 1.63 -0.92 0.00 0.00 175.35 172.97