#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 4.16 0.66 2.12 -0.21 -1.26 -4.97 119.66 120.15 1cf4 s GLN 2 Ca 0.00 1.70 0.02 0.00 0.02 0.00 0.00 55.36 57.10 1cf4 s GLN 2 Cb 0.00 -2.68 0.10 0.00 1.00 0.00 0.00 33.01 31.43 1cf4 s GLN 2 CO 0.00 -0.19 0.91 0.99 -2.12 0.00 0.00 175.29 174.88 1cf4 s THR 3 N -1.48 2.25 -0.07 -0.19 2.01 -1.26 -4.93 115.64 111.96 1cf4 s THR 3 Ca 0.56 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.69 1cf4 s THR 3 Cb -0.27 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 69.71 1cf4 s THR 3 CO 0.34 0.00 0.42 0.27 -0.69 0.00 0.00 174.62 174.96 1cf4 s ILE 4 N -2.97 0.03 -0.34 1.82 -4.36 -1.26 -4.60 121.20 109.52 1cf4 s ILE 4 Ca 0.64 -0.22 -0.01 0.00 -0.26 0.00 0.00 60.65 60.80 1cf4 s ILE 4 Cb -0.06 -0.68 0.12 0.00 1.25 0.00 0.00 42.46 43.08 1cf4 s ILE 4 CO 0.42 -0.12 0.16 -0.75 0.24 0.00 0.00 174.94 174.88 1cf4 s LYS 5 N -0.74 0.72 -0.23 0.37 2.47 -1.26 -3.62 119.74 117.44 1cf4 s LYS 5 Ca -0.08 -1.24 -0.05 0.00 -1.56 0.00 0.00 55.97 53.04 1cf4 s LYS 5 Cb -0.04 -1.78 -0.01 0.00 -1.46 0.00 0.00 37.83 34.54 1cf4 s LYS 5 CO 0.04 -1.08 -0.00 0.00 0.16 0.00 0.00 175.35 174.47 1cf4 s VAL 7 N 1.52 4.66 -0.38 0.00 -7.23 -1.26 -3.96 120.40 113.76 1cf4 s VAL 7 Ca 0.06 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1cf4 s VAL 7 Cb -0.15 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1cf4 s VAL 7 CO -0.01 0.34 0.61 0.54 -0.31 0.00 0.00 175.10 176.28 1cf4 s VAL 8 N -1.19 4.90 0.05 1.32 0.11 -1.26 -2.53 120.40 121.80 1cf4 s VAL 8 Ca 0.23 0.42 0.03 0.00 -2.93 0.00 0.00 61.98 59.72 1cf4 s VAL 8 Cb -0.12 -4.09 -0.03 0.00 -1.53 0.00 0.00 36.38 30.62 1cf4 s VAL 8 CO 0.14 -0.37 -0.09 0.68 -3.33 0.00 0.00 175.10 172.13 1cf4 s VAL 9 N 2.68 0.66 -0.88 2.04 -7.23 -0.95 -4.99 120.40 111.72 1cf4 s VAL 9 Ca 0.23 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 1cf4 s VAL 9 Cb -0.15 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1cf4 s VAL 9 CO 0.16 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1cf4 n GLY 10 N 1.37 0.31 0.02 2.32 0.00 -1.26 -3.99 105.19 103.96 1cf4 n GLY 10 Ca -0.22 -1.74 0.07 0.00 0.00 0.00 0.00 46.02 44.13 1cf4 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cf4 n ASP 11 N 0.00 0.81 -4.82 1.61 -0.08 -1.26 -4.99 116.55 107.83 1cf4 n ASP 11 Ca 0.00 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.03 1cf4 n ASP 11 Cb 0.00 1.71 -0.05 0.00 2.34 0.00 0.00 41.12 45.13 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1cf4 s GLY 12 N -4.24 1.62 0.00 0.27 0.00 -1.23 -4.98 107.32 98.75 1cf4 s GLY 12 Ca -0.07 -1.25 0.18 0.00 0.00 0.00 0.00 44.72 43.58 1cf4 s GLY 12 CO 0.75 -1.26 1.61 0.00 0.00 0.00 0.00 173.10 174.20 1cf4 n ALA 13 N -0.60 2.58 -2.71 3.20 0.00 -1.26 -4.67 120.51 117.04 1cf4 n ALA 13 Ca -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.09 1cf4 n ALA 13 Cb 0.55 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1cf4 n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1cf4 n VAL 14 N -0.48 -0.06 -1.96 0.00 0.24 -1.26 0.16 118.33 114.97 1cf4 n VAL 14 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.26 1cf4 n VAL 14 Cb 0.13 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.25 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 -0.59 0.61 0.31 7.63 0.00 -1.26 -4.82 105.19 107.07 1cf4 n GLY 15 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 1cf4 n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1cf4 n LYS 16 N -2.55 -0.07 -0.10 1.61 2.85 0.42 0.18 118.16 120.50 1cf4 n LYS 16 Ca -0.19 1.35 -0.13 0.00 -1.05 0.00 0.00 58.31 58.29 1cf4 n LYS 16 Cb 0.62 -2.20 -0.05 0.00 -0.65 0.00 0.00 35.03 32.76 1cf4 n LYS 16 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1cf4 n THR 17 N -5.30 1.49 -0.34 0.58 -1.04 -1.26 -4.41 114.28 103.99 1cf4 n THR 17 Ca 0.24 0.04 0.33 0.00 -2.04 0.00 0.00 64.05 62.62 1cf4 n THR 17 Cb 0.79 -2.25 0.69 0.00 -1.82 0.00 0.00 70.33 67.74 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cf4 n LEU 19 N -4.32 0.00 0.04 0.00 4.77 0.47 0.10 117.00 118.06 1cf4 n LEU 19 Ca 0.27 0.93 -0.03 0.00 -0.03 0.00 0.00 56.01 57.15 1cf4 n LEU 19 Cb 1.19 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 41.76 1cf4 n LEU 19 CO 0.35 -0.43 -0.18 -0.07 -1.33 0.00 0.00 177.39 175.74 1cf4 h LEU 20 N 0.00 0.00 0.17 2.23 -0.00 -1.67 -2.53 115.31 113.52 1cf4 h LEU 20 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1cf4 h LEU 20 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1cf4 h LEU 20 CO 0.00 0.75 -0.08 0.40 -0.00 0.00 0.00 178.44 179.50 1cf4 h ILE 21 N 0.00 0.94 -0.30 1.22 1.08 0.85 -2.65 117.51 118.66 1cf4 h ILE 21 Ca -0.15 -0.82 -0.15 0.00 -0.39 0.00 0.00 64.86 63.35 1cf4 h ILE 21 Cb 1.70 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.86 1cf4 h ILE 21 CO 0.07 0.18 -0.41 -1.28 -0.69 0.00 0.00 178.15 176.03 1cf4 h SER 22 N -0.66 0.77 -0.65 1.72 0.87 0.55 1.51 113.55 117.66 1cf4 h SER 22 Ca -0.02 -0.35 0.12 0.00 -1.23 0.00 0.00 61.79 60.30 1cf4 h SER 22 Cb 0.48 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.13 1cf4 h SER 22 CO 0.04 1.08 0.19 0.22 -0.53 0.00 0.00 176.83 177.83 1cf4 h TYR 23 N 0.59 0.32 0.01 2.24 3.20 -1.22 -3.19 116.97 118.92 1cf4 h TYR 23 Ca 0.05 0.04 -0.34 0.00 3.14 0.00 0.00 58.73 61.62 1cf4 h TYR 23 Cb 0.95 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 1cf4 h TYR 23 CO 0.05 0.01 -1.85 2.41 -1.64 0.00 0.00 178.16 177.14 1cf4 n THR 24 N -5.08 1.55 -0.51 1.81 -1.04 -1.00 -5.00 114.28 105.02 1cf4 n THR 24 Ca 0.11 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1cf4 n THR 24 Cb 0.35 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 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 -4.22 0.00 -2.26 12.58 -2.24 0.51 -5.09 114.28 113.57 1cf4 n THR 25 Ca -0.41 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1cf4 n THR 25 Cb 0.80 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1cf4 n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cf4 n ASN 26 N 0.00 -1.02 -4.70 3.42 2.04 -1.24 -4.43 115.26 109.32 1cf4 n ASN 26 Ca 0.00 -1.84 -0.40 0.00 -0.44 0.00 0.00 54.58 51.90 1cf4 n ASN 26 Cb 0.00 0.40 -0.05 0.00 -2.53 0.00 0.00 39.78 37.61 1cf4 n ASN 26 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1cf4 s LYS 27 N 0.05 4.37 0.03 -3.83 -2.85 -1.26 -4.77 119.74 111.47 1cf4 s LYS 27 Ca 0.04 0.87 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 1cf4 s LYS 27 Cb 0.18 -3.50 0.00 0.00 -2.06 0.00 0.00 37.83 32.45 1cf4 s LYS 27 CO -0.05 -0.08 0.00 0.34 0.10 0.00 0.00 175.35 175.66 1cf4 n PHE 28 N 4.33 -2.17 -0.63 1.78 7.35 -1.26 -4.71 117.46 122.15 1cf4 n PHE 28 Ca 0.00 0.10 -0.18 0.00 -0.76 0.00 0.00 57.45 56.61 1cf4 n PHE 28 Cb 0.50 0.62 0.10 0.00 0.35 0.00 0.00 39.48 41.05 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 -2.47 1.90 0.00 -7.13 -0.04 -1.26 -4.57 135.00 121.43 1cf4 n PRO 29 Ca 0.00 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1cf4 n PRO 29 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1cf4 n PRO 29 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cf4 n SER 30 N -0.42 0.00 -3.57 3.54 3.41 -1.26 -5.14 113.62 110.18 1cf4 n SER 30 Ca 0.40 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1cf4 n SER 30 Cb 1.07 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 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 0.00 0.97 -0.11 4.33 -1.05 -1.26 -5.16 118.70 116.42 1cf4 s GLU 31 Ca 0.00 0.40 0.01 0.00 -0.15 0.00 0.00 54.97 55.23 1cf4 s GLU 31 Cb 0.00 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.17 1cf4 s GLU 31 CO 0.00 -0.26 -0.14 0.71 0.95 0.00 0.00 175.26 176.52 1cf4 s TYR 32 N -0.83 1.90 0.31 4.83 1.51 -1.26 -4.94 117.35 118.87 1cf4 s TYR 32 Ca -0.09 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 1cf4 s TYR 32 Cb -0.02 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1cf4 s TYR 32 CO 0.07 -0.50 0.00 0.28 -1.11 0.00 0.00 175.55 174.29 1cf4 n VAL 33 N 4.38 0.00 -0.10 0.71 0.31 -1.26 -4.94 118.33 117.44 1cf4 n VAL 33 Ca -0.18 0.00 0.26 0.00 -0.01 0.00 0.00 64.34 64.41 1cf4 n VAL 33 Cb 0.51 0.00 0.61 0.00 -0.91 0.00 0.00 33.84 34.05 1cf4 n VAL 33 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1cf4 h PRO 34 N 0.00 0.00 -1.85 5.55 0.11 -2.03 -1.87 132.00 131.90 1cf4 h PRO 34 Ca 0.00 0.00 0.54 0.00 0.11 0.00 0.00 66.00 66.65 1cf4 h PRO 34 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1cf4 h PRO 34 CO 0.00 0.00 1.38 0.00 -0.21 0.00 0.00 178.00 179.17 1cf4 h THR 35 N 0.00 0.03 -0.18 -1.15 1.03 -1.97 0.51 112.91 111.18 1cf4 h THR 35 Ca 0.37 0.00 0.05 0.00 -0.01 0.00 0.00 66.41 66.83 1cf4 h THR 35 Cb 2.08 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 1cf4 h THR 35 CO -0.00 0.00 0.44 1.62 -0.01 0.00 0.00 175.52 177.57 1cf4 h VAL 36 N 0.00 0.13 -0.26 0.00 3.04 -1.64 0.50 116.25 118.02 1cf4 h VAL 36 Ca 0.88 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.57 1cf4 h VAL 36 Cb 3.63 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 33.51 1cf4 h VAL 36 CO -0.01 0.00 0.00 2.22 -1.01 0.00 0.00 177.57 178.77 1cf4 n PHE 37 N -3.17 0.84 0.27 3.17 -1.74 0.18 -4.27 117.46 112.74 1cf4 n PHE 37 Ca 0.02 -0.30 0.17 0.00 -0.56 0.00 0.00 57.45 56.79 1cf4 n PHE 37 Cb 0.54 -0.24 0.92 0.00 1.52 0.00 0.00 39.48 42.23 1cf4 n PHE 37 CO 0.00 0.00 0.00 0.22 -0.56 0.00 0.00 176.76 176.42 1cf4 h ASP 38 N 1.77 0.00 -0.23 5.98 3.58 -0.19 0.25 116.42 127.59 1cf4 h ASP 38 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cf4 h ASP 38 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1cf4 h ASP 38 CO 0.18 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.34 1cf4 n ASN 39 N -2.73 1.76 -3.36 2.28 2.85 -1.26 -4.69 115.26 110.11 1cf4 n ASN 39 Ca -0.02 -2.11 -0.31 0.00 -0.11 0.00 0.00 54.58 52.03 1cf4 n ASN 39 Cb 0.11 -0.31 0.29 0.00 1.24 0.00 0.00 39.78 41.12 1cf4 n ASN 39 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1cf4 s TYR 40 N -1.64 -0.82 -0.23 1.20 -0.85 0.07 -4.98 117.35 110.10 1cf4 s TYR 40 Ca 0.17 0.56 -0.12 0.00 -0.52 0.00 0.00 57.07 57.15 1cf4 s TYR 40 Cb 0.10 -2.84 -0.05 0.00 0.38 0.00 0.00 41.96 39.55 1cf4 s TYR 40 CO 0.09 -5.14 0.24 0.00 -1.52 0.00 0.00 175.55 169.22 1cf4 s ALA 41 N -2.21 3.59 0.08 9.51 0.00 -1.26 -4.99 121.76 126.48 1cf4 s ALA 41 Ca 0.68 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1cf4 s ALA 41 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1cf4 s ALA 41 CO 0.58 -0.24 -0.25 0.08 0.00 0.00 0.00 175.76 175.93 1cf4 s VAL 42 N 1.17 2.33 -0.20 0.00 1.01 -1.26 -5.12 120.40 118.33 1cf4 s VAL 42 Ca 0.11 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 1cf4 s VAL 42 Cb -0.14 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1cf4 s VAL 42 CO 0.06 0.26 -0.03 0.42 0.00 0.00 0.00 175.10 175.80 1cf4 s THR 43 N -0.93 1.12 0.26 3.92 -4.23 -1.26 -4.61 115.64 109.92 1cf4 s THR 43 Ca 0.13 -0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 59.76 1cf4 s THR 43 Cb -0.10 -1.42 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1cf4 s THR 43 CO 0.04 -0.04 0.43 1.33 -0.54 0.00 0.00 174.62 175.85 1cf4 n VAL 44 N 4.84 0.00 -3.34 2.29 0.24 -1.26 -5.05 118.33 116.05 1cf4 n VAL 44 Ca -0.11 -1.06 -0.46 0.00 -2.04 0.00 0.00 64.34 60.67 1cf4 n VAL 44 Cb 0.46 0.76 -0.04 0.00 -1.47 0.00 0.00 33.84 33.55 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 3.19 -1.07 7.34 -2.45 -1.26 -0.54 119.30 122.13 1cf4 s MET 45 Ca 0.17 -2.02 -0.21 0.00 -1.25 0.00 0.00 55.69 52.38 1cf4 s MET 45 Cb -0.02 -4.32 0.08 0.00 1.25 0.00 0.00 34.83 31.82 1cf4 s MET 45 CO 0.12 -1.30 1.45 0.42 1.05 0.00 0.00 175.02 176.76 1cf4 s ILE 46 N 0.99 4.17 0.00 10.11 -1.09 -0.05 -4.87 121.20 130.47 1cf4 s ILE 46 Ca 0.09 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 1cf4 s ILE 46 Cb -0.22 -5.03 0.00 0.00 -1.58 0.00 0.00 42.46 35.63 1cf4 s ILE 46 CO -0.02 -1.86 0.00 0.61 -1.23 0.00 0.00 174.94 172.44 1cf4 n GLY 47 N 6.17 0.40 0.00 6.18 0.00 -1.26 -3.92 105.19 112.76 1cf4 n GLY 47 Ca 0.35 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 3.35 -0.02 0.00 -1.26 -4.83 105.19 102.43 1cf4 n GLY 48 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.34 -0.94 1.61 -1.05 -1.25 -4.99 118.70 113.42 1cf4 s GLU 49 Ca 0.00 -1.56 -0.32 0.00 -0.15 0.00 0.00 54.97 52.94 1cf4 s GLU 49 Cb 0.00 -1.22 -0.22 0.00 -0.44 0.00 0.00 34.13 32.25 1cf4 s GLU 49 CO 0.00 0.22 2.64 -2.30 0.95 0.00 0.00 175.26 176.76 1cf4 n PRO 50 N -0.24 0.01 -3.59 -4.83 -0.02 -1.26 -4.02 135.00 121.05 1cf4 n PRO 50 Ca -0.09 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1cf4 n PRO 50 Cb 0.60 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 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 8.71 -0.18 0.02 6.00 6.14 0.30 -4.92 117.35 133.42 1cf4 s TYR 51 Ca 1.34 0.07 0.02 0.00 0.64 0.00 0.00 57.07 59.14 1cf4 s TYR 51 Cb -1.27 0.54 -0.02 0.00 0.42 0.00 0.00 41.96 41.63 1cf4 s TYR 51 CO 0.51 -0.37 -0.06 0.95 0.64 0.00 0.00 175.55 177.22 1cf4 s THR 52 N -2.69 0.42 0.92 4.34 -4.23 -1.26 -0.87 115.64 112.27 1cf4 s THR 52 Ca 0.09 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1cf4 s THR 52 Cb -0.00 -0.45 0.20 0.00 1.34 0.00 0.00 72.50 73.59 1cf4 s THR 52 CO -0.05 -0.19 1.26 -1.48 -0.54 0.00 0.00 174.62 173.61 1cf4 s LEU 53 N -0.95 2.81 -0.39 4.79 2.34 -1.26 -5.04 118.68 120.97 1cf4 s LEU 53 Ca -0.06 -0.02 -0.12 0.00 0.06 0.00 0.00 54.13 53.99 1cf4 s LEU 53 Cb -0.07 -2.01 0.03 0.00 -0.56 0.00 0.00 46.19 43.58 1cf4 s LEU 53 CO 0.00 -2.63 0.24 -0.83 -1.06 0.00 0.00 176.35 172.06 1cf4 s GLY 54 N -4.91 1.96 0.00 -3.48 0.00 -1.24 -4.95 107.32 94.70 1cf4 s GLY 54 Ca 0.74 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1cf4 s GLY 54 CO 0.51 0.87 0.00 1.04 0.00 0.00 0.00 173.10 175.53 1cf4 n LEU 55 N 5.05 0.00 -4.90 0.66 4.77 -1.26 -4.25 117.00 117.06 1cf4 n LEU 55 Ca -0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.66 1cf4 n LEU 55 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1cf4 n LEU 55 CO 0.38 -0.20 -0.02 0.72 -1.33 0.00 0.00 177.39 176.94 1cf4 s PHE 56 N 0.00 2.92 -0.30 -1.77 -0.12 -1.25 -4.84 117.98 112.62 1cf4 s PHE 56 Ca 0.00 -0.32 -0.09 0.00 -0.05 0.00 0.00 56.93 56.47 1cf4 s PHE 56 Cb 0.00 -1.95 0.18 0.00 -0.63 0.00 0.00 43.02 40.62 1cf4 s PHE 56 CO 0.00 0.04 0.86 0.34 -0.05 0.00 0.00 175.22 176.41 1cf4 s ASP 57 N -4.09 -0.84 -0.09 1.98 2.15 -1.26 -4.17 116.67 110.35 1cf4 s ASP 57 Ca 0.44 0.60 -0.04 0.00 0.43 0.00 0.00 52.55 53.98 1cf4 s ASP 57 Cb -0.07 1.73 0.05 0.00 -0.30 0.00 0.00 42.92 44.33 1cf4 s ASP 57 CO 0.28 -0.16 0.20 0.42 -0.17 0.00 0.00 175.17 175.74 1cf4 s THR 58 N 2.87 -0.15 -0.29 1.71 -4.23 -1.26 -4.94 115.64 109.35 1cf4 s THR 58 Ca 0.07 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1cf4 s THR 58 Cb -0.12 -0.33 0.16 0.00 1.34 0.00 0.00 72.50 73.56 1cf4 s THR 58 CO -0.16 0.09 1.03 0.00 -0.54 0.00 0.00 174.62 175.05 1cf4 s ALA 59 N 1.62 -2.52 -1.15 3.99 0.00 -1.26 -4.78 121.76 117.67 1cf4 s ALA 59 Ca -0.05 2.11 -0.13 0.00 0.00 0.00 0.00 51.96 53.88 1cf4 s ALA 59 Cb -0.11 -1.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 1cf4 s ALA 59 CO -0.07 -0.58 2.25 0.41 0.00 0.00 0.00 175.76 177.78 1cf4 n GLY 60 N 4.09 3.51 3.74 0.00 0.00 -1.26 -4.12 105.19 111.15 1cf4 n GLY 60 Ca -0.15 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cf4 s LEU 61 N 0.94 2.84 0.37 0.99 1.43 -1.25 -4.81 118.68 119.19 1cf4 s LEU 61 Ca 0.52 -1.29 0.12 0.00 -1.03 0.00 0.00 54.13 52.46 1cf4 s LEU 61 Cb 0.14 -1.14 0.91 0.00 0.03 0.00 0.00 46.19 46.13 1cf4 s LEU 61 CO -0.01 -0.67 1.83 -0.33 0.23 0.00 0.00 176.35 177.41 1cf4 h GLU 62 N 1.39 0.57 0.63 1.70 5.08 -1.99 0.23 114.58 122.20 1cf4 h GLU 62 Ca -0.42 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1cf4 h GLU 62 Cb 1.27 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1cf4 h GLU 62 CO 0.71 0.38 -0.38 -0.44 -1.00 0.00 0.00 179.01 178.29 1cf4 h ASP 63 N 0.59 -0.95 -2.37 1.42 5.19 -1.95 -3.39 116.42 114.96 1cf4 h ASP 63 Ca 0.50 0.05 -0.59 0.00 -0.62 0.00 0.00 57.03 56.37 1cf4 h ASP 63 Cb 0.98 0.27 -0.39 0.00 0.18 0.00 0.00 39.33 40.37 1cf4 h ASP 63 CO -0.25 -0.59 -0.93 -1.22 -3.12 0.00 0.00 179.24 173.14 1cf4 n TYR 64 N -4.78 0.01 0.49 4.55 4.01 -0.91 -4.92 117.16 115.60 1cf4 n TYR 64 Ca -0.12 -3.54 0.12 0.00 -0.16 0.00 0.00 57.90 54.20 1cf4 n TYR 64 Cb 0.39 -0.03 0.20 0.00 -0.31 0.00 0.00 39.34 39.58 1cf4 n TYR 64 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1cf4 h ASP 65 N 5.16 0.00 0.00 7.72 2.03 -0.71 -3.32 116.42 127.31 1cf4 h ASP 65 Ca 0.21 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.33 1cf4 h ASP 65 Cb 0.87 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.36 1cf4 h ASP 65 CO 0.46 0.06 -0.36 0.03 -1.03 0.00 0.00 179.24 178.41 1cf4 h ARG 66 N 0.00 0.00 0.00 4.15 -0.00 -1.89 -3.45 114.38 113.19 1cf4 h ARG 66 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.98 59.67 1cf4 h ARG 66 Cb 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 29.97 30.73 1cf4 h ARG 66 CO 0.00 0.68 -0.25 1.28 0.00 0.00 0.00 179.97 181.68 1cf4 n LEU 67 N -4.60 0.00 0.00 3.04 4.32 -1.26 -5.02 117.00 113.48 1cf4 n LEU 67 Ca -0.13 0.74 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 1cf4 n LEU 67 Cb 0.40 -2.33 0.00 0.00 -1.62 0.00 0.00 43.42 39.88 1cf4 n LEU 67 CO 0.21 -1.37 0.00 0.54 -1.22 0.00 0.00 177.39 175.54 1cf4 n ARG 68 N -2.29 0.00 -0.32 3.23 5.12 -1.26 -5.01 116.66 116.14 1cf4 n ARG 68 Ca 0.00 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1cf4 n ARG 68 Cb 0.31 0.00 0.22 0.00 -1.16 0.00 0.00 32.46 31.83 1cf4 n ARG 68 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1cf4 n PRO 69 N 0.00 -0.08 -0.12 5.56 -0.02 -1.26 0.13 135.00 139.21 1cf4 n PRO 69 Ca 0.00 1.38 0.27 0.00 -2.02 0.00 0.00 63.50 63.13 1cf4 n PRO 69 Cb 0.00 -2.14 0.67 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.01 2.45 8.10 -1.94 0.16 115.31 124.09 1cf4 h LEU 70 Ca 0.51 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 58.14 1cf4 h LEU 70 Cb 0.97 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.13 1cf4 h LEU 70 CO -0.88 0.00 -2.25 -0.24 -4.11 0.00 0.00 178.44 170.96 1cf4 n SER 71 N -3.73 0.53 -4.79 0.17 2.88 0.34 -4.91 113.62 104.10 1cf4 n SER 71 Ca 0.17 0.07 -0.37 0.00 -1.33 0.00 0.00 58.87 57.41 1cf4 n SER 71 Cb 1.06 0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 64.98 1cf4 n SER 71 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1cf4 s TYR 72 N -2.52 3.74 -0.61 0.66 5.04 0.58 -4.46 117.35 119.78 1cf4 s TYR 72 Ca -0.13 1.63 -0.27 0.00 -2.44 0.00 0.00 57.07 55.87 1cf4 s TYR 72 Cb 0.07 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.56 1cf4 s TYR 72 CO 0.80 0.33 1.82 -1.25 -1.34 0.00 0.00 175.55 175.91 1cf4 s PRO 73 N -1.79 2.69 -0.04 4.97 0.04 -1.26 -4.81 135.00 134.80 1cf4 s PRO 73 Ca 0.44 0.59 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1cf4 s PRO 73 Cb -0.19 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 29.97 1cf4 s PRO 73 CO 0.24 -2.66 -0.08 1.04 0.04 0.00 0.00 177.00 175.58 1cf4 n GLN 74 N 9.16 0.12 -0.10 4.56 6.02 -1.26 -5.06 117.38 130.82 1cf4 n GLN 74 Ca 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1cf4 n GLN 74 Cb 0.52 -0.66 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1cf4 n THR 75 N -2.95 0.00 -0.24 5.09 5.66 -1.26 -5.04 114.28 115.54 1cf4 n THR 75 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1cf4 n THR 75 Cb 0.11 -1.79 0.00 0.00 -1.55 0.00 0.00 70.33 67.11 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1cf4 n ASP 76 N -1.40 1.40 -3.45 1.09 5.68 -1.26 -4.93 116.55 113.68 1cf4 n ASP 76 Ca 0.00 -1.64 -0.27 0.00 -0.50 0.00 0.00 54.79 52.39 1cf4 n ASP 76 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1cf4 n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1cf4 s VAL 77 N -0.64 0.02 0.76 2.12 1.01 -1.26 -3.98 120.40 118.43 1cf4 s VAL 77 Ca 0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.39 1cf4 s VAL 77 Cb 0.00 -1.02 0.17 0.00 0.00 0.00 0.00 36.38 35.53 1cf4 s VAL 77 CO 0.00 -0.88 1.03 0.49 0.00 0.00 0.00 175.10 175.74 1cf4 n PHE 78 N 4.22 -3.94 -3.52 5.22 3.01 0.37 -4.09 117.46 118.72 1cf4 n PHE 78 Ca 0.10 -0.95 -0.21 0.00 1.01 0.00 0.00 57.45 57.39 1cf4 n PHE 78 Cb 0.39 -0.79 -0.14 0.00 -0.01 0.00 0.00 39.48 38.93 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 0.07 -0.13 4.37 2.96 -1.05 -3.86 118.68 121.04 1cf4 s LEU 79 Ca 0.59 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1cf4 s LEU 79 Cb -0.02 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 1cf4 s LEU 79 CO 0.41 -0.35 0.03 0.68 -1.32 0.00 0.00 176.35 175.80 1cf4 s VAL 80 N 2.25 4.51 0.24 1.68 -7.23 -1.18 -2.25 120.40 118.42 1cf4 s VAL 80 Ca 0.06 -0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 1cf4 s VAL 80 Cb -0.16 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1cf4 s VAL 80 CO -0.15 0.54 0.12 0.00 -0.31 0.00 0.00 175.10 175.31 1cf4 s PHE 82 N -3.93 -0.53 0.16 0.00 -0.12 -1.26 -3.58 117.98 108.73 1cf4 s PHE 82 Ca 0.38 1.21 -0.26 0.00 -0.05 0.00 0.00 56.93 58.22 1cf4 s PHE 82 Cb 0.07 0.37 -0.08 0.00 -0.63 0.00 0.00 43.02 42.75 1cf4 s PHE 82 CO 0.14 -0.26 0.79 -1.54 -0.05 0.00 0.00 175.22 174.30 1cf4 s SER 83 N 0.55 7.40 0.07 1.98 1.04 -1.26 -4.86 113.70 118.62 1cf4 s SER 83 Ca -0.00 1.66 -0.21 0.00 0.48 0.00 0.00 55.95 57.88 1cf4 s SER 83 Cb -0.05 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.48 1cf4 s SER 83 CO -0.09 0.18 1.34 0.58 0.98 0.00 0.00 173.24 176.24 1cf4 h VAL 84 N 3.39 0.00 -0.68 5.02 2.07 -1.86 -3.39 116.25 120.80 1cf4 h VAL 84 Ca -0.46 0.00 -0.73 0.00 0.82 0.00 0.00 66.70 66.32 1cf4 h VAL 84 Cb 1.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1cf4 h VAL 84 CO 0.67 0.00 1.27 1.33 0.02 0.00 0.00 177.57 180.86 1cf4 n VAL 85 N -4.35 0.11 -3.76 2.57 0.24 -1.26 -3.89 118.33 107.98 1cf4 n VAL 85 Ca -0.04 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 1cf4 n VAL 85 Cb 0.24 -1.04 -0.11 0.00 -1.47 0.00 0.00 33.84 31.45 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cf4 s SER 86 N 6.04 -0.32 -0.85 -1.34 1.04 -1.26 -5.05 113.70 111.95 1cf4 s SER 86 Ca 1.12 0.61 -0.04 0.00 0.48 0.00 0.00 55.95 58.12 1cf4 s SER 86 Cb -1.19 0.63 0.15 0.00 0.10 0.00 0.00 66.02 65.72 1cf4 s SER 86 CO 0.60 -0.14 2.43 -0.81 0.98 0.00 0.00 173.24 176.30 1cf4 n PRO 87 N 2.78 3.51 -1.38 4.02 -0.04 -1.26 -4.37 135.00 138.26 1cf4 n PRO 87 Ca -0.14 -3.15 -0.07 0.00 -0.04 0.00 0.00 63.50 60.10 1cf4 n PRO 87 Cb 0.58 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 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 -3.70 0.01 3.54 2.88 -1.26 -4.26 113.62 111.65 1cf4 n SER 88 Ca 0.54 0.15 0.11 0.00 -1.33 0.00 0.00 58.87 58.34 1cf4 n SER 88 Cb 0.37 -2.05 -0.10 0.00 -0.75 0.00 0.00 64.21 61.68 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cf4 n SER 89 N 0.76 0.36 0.00 -3.46 3.41 -1.26 -4.42 113.62 109.01 1cf4 n SER 89 Ca -0.08 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1cf4 n SER 89 Cb 0.30 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 1cf4 n SER 89 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1cf4 n PHE 90 N -2.18 0.00 -0.09 7.33 7.35 -1.26 0.13 117.46 128.75 1cf4 n PHE 90 Ca -0.01 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.89 1cf4 n PHE 90 Cb 0.51 -0.36 0.65 0.00 0.35 0.00 0.00 39.48 40.63 1cf4 n PHE 90 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1cf4 h GLU 91 N 0.00 0.11 0.55 -4.13 4.11 -1.99 0.14 114.58 113.37 1cf4 h GLU 91 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1cf4 h GLU 91 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1cf4 h GLU 91 CO 0.00 0.07 -0.26 -0.97 0.07 0.00 0.00 179.01 177.92 1cf4 h ASN 92 N 0.11 -0.63 -0.75 3.06 -0.73 -1.32 -2.43 115.58 112.90 1cf4 h ASN 92 Ca 0.33 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.43 1cf4 h ASN 92 Cb 1.14 0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.86 1cf4 h ASN 92 CO -0.04 -0.25 0.36 1.62 -0.37 0.00 0.00 177.43 178.75 1cf4 h VAL 93 N -1.08 1.24 0.00 2.57 3.04 0.17 -0.91 116.25 121.29 1cf4 h VAL 93 Ca -0.08 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1cf4 h VAL 93 Cb 0.63 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1cf4 h VAL 93 CO 0.12 0.29 0.00 0.29 -1.01 0.00 0.00 177.57 177.26 1cf4 n LYS 94 N -4.40 0.00 0.15 4.17 4.76 0.44 0.14 118.16 123.43 1cf4 n LYS 94 Ca 0.06 0.34 0.19 0.00 -2.87 0.00 0.00 58.31 56.03 1cf4 n LYS 94 Cb 0.14 -1.23 0.74 0.00 -1.84 0.00 0.00 35.03 32.83 1cf4 n LYS 94 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1cf4 h GLU 95 N 0.00 0.00 0.00 1.97 4.39 -1.51 0.75 114.58 120.18 1cf4 h GLU 95 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1cf4 h GLU 95 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1cf4 h GLU 95 CO 0.00 0.00 -0.59 -0.22 -1.16 0.00 0.00 179.01 177.04 1cf4 h LYS 96 N 0.00 0.00 0.00 2.33 3.64 -0.70 -3.36 116.57 118.49 1cf4 h LYS 96 Ca 0.15 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1cf4 h LYS 96 Cb 1.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1cf4 h LYS 96 CO -0.00 0.21 -0.18 -1.49 -2.27 0.00 0.00 179.45 175.72 1cf4 h TRP 97 N 0.00 0.00 -0.95 1.91 -0.00 0.79 -3.25 115.95 114.45 1cf4 h TRP 97 Ca -0.03 0.00 0.25 0.00 -0.00 0.00 0.00 58.89 59.12 1cf4 h TRP 97 Cb 1.21 0.00 -0.17 0.00 -0.00 0.00 0.00 29.16 30.20 1cf4 h TRP 97 CO 0.00 0.50 0.03 0.28 -0.00 0.00 0.00 178.44 179.25 1cf4 h VAL 98 N -1.00 0.08 -0.19 1.49 2.07 -1.54 0.84 116.25 118.00 1cf4 h VAL 98 Ca -0.03 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1cf4 h VAL 98 Cb 0.54 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1cf4 h VAL 98 CO -0.02 0.01 -0.45 -0.65 0.02 0.00 0.00 177.57 176.47 1cf4 h PRO 99 N 0.03 0.47 0.04 1.57 0.11 -1.73 -2.73 132.00 129.76 1cf4 h PRO 99 Ca 0.57 -0.26 -0.26 0.00 0.11 0.00 0.00 66.00 66.17 1cf4 h PRO 99 Cb 1.15 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1cf4 h PRO 99 CO -0.87 0.83 -1.07 0.93 -0.21 0.00 0.00 178.00 177.61 1cf4 h GLU 100 N 0.38 0.52 0.00 1.05 3.07 -0.40 -1.18 114.58 118.02 1cf4 h GLU 100 Ca 0.03 -0.61 -0.03 0.00 -0.50 0.00 0.00 59.36 58.24 1cf4 h GLU 100 Cb 0.94 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1cf4 h GLU 100 CO 0.08 1.23 -0.16 0.82 -1.40 0.00 0.00 179.01 179.59 1cf4 h ILE 101 N 0.27 0.65 0.00 3.13 2.04 0.49 -2.56 117.51 121.53 1cf4 h ILE 101 Ca -0.12 -0.68 -0.22 0.00 1.00 0.00 0.00 64.86 64.84 1cf4 h ILE 101 Cb 1.72 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 1cf4 h ILE 101 CO 0.19 0.16 -1.76 0.35 0.00 0.00 0.00 178.15 177.09 1cf4 n THR 102 N -3.68 1.19 0.07 -0.27 -2.24 -1.04 -3.39 114.28 104.93 1cf4 n THR 102 Ca -0.02 -0.73 -0.03 0.00 -2.27 0.00 0.00 64.05 61.01 1cf4 n THR 102 Cb 0.28 -0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.84 1cf4 n THR 102 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1cf4 h HIS 103 N 0.00 -0.17 -0.50 4.78 6.17 -0.83 -2.76 115.15 121.84 1cf4 h HIS 103 Ca -0.26 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 60.83 1cf4 h HIS 103 Cb 1.76 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 31.72 1cf4 h HIS 103 CO 0.00 -0.11 0.33 0.45 0.71 0.00 0.00 177.93 179.32 1cf4 h HIS 104 N -0.25 0.60 -3.43 5.26 3.86 -1.70 -3.36 115.15 116.12 1cf4 h HIS 104 Ca -0.02 0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.60 1cf4 h HIS 104 Cb 0.14 -0.20 -0.39 0.00 1.06 0.00 0.00 27.41 28.02 1cf4 h HIS 104 CO 0.13 0.37 -0.76 0.00 0.86 0.00 0.00 177.93 178.53 1cf4 s PRO 106 N 1.39 2.91 -0.18 0.00 0.04 -1.04 -3.76 135.00 134.37 1cf4 s PRO 106 Ca 0.05 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.58 1cf4 s PRO 106 Cb -0.18 -4.37 0.01 0.00 0.04 0.00 0.00 34.50 30.00 1cf4 s PRO 106 CO -0.14 -2.35 0.20 1.17 0.04 0.00 0.00 177.00 175.91 1cf4 n LYS 107 N 8.76 -1.26 -3.74 4.56 3.00 -1.26 -5.06 118.16 123.16 1cf4 n LYS 107 Ca 0.28 1.35 -0.30 0.00 -0.00 0.00 0.00 58.31 59.64 1cf4 n LYS 107 Cb 0.48 -3.33 -0.15 0.00 0.00 0.00 0.00 35.03 32.03 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1cf4 s THR 108 N -1.47 0.92 0.88 3.15 2.01 -1.25 -5.00 115.64 114.89 1cf4 s THR 108 Ca 0.08 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.55 1cf4 s THR 108 Cb -0.02 -1.69 0.12 0.00 0.01 0.00 0.00 72.50 70.91 1cf4 s THR 108 CO 0.36 -0.67 1.14 -2.65 -0.69 0.00 0.00 174.62 172.11 1cf4 n PRO 109 N 4.83 -0.23 -3.17 4.92 -0.02 -1.26 -4.68 135.00 135.40 1cf4 n PRO 109 Ca -0.02 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1cf4 n PRO 109 Cb 0.42 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 1cf4 n PRO 109 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1cf4 n PHE 110 N -3.90 -1.27 -3.83 6.00 -1.74 -1.26 0.14 117.46 111.60 1cf4 n PHE 110 Ca 0.12 -1.56 -0.12 0.00 -0.56 0.00 0.00 57.45 55.34 1cf4 n PHE 110 Cb 0.51 0.42 -0.10 0.00 1.52 0.00 0.00 39.48 41.84 1cf4 n PHE 110 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1cf4 s LEU 111 N 0.00 1.29 0.31 5.98 0.20 -1.25 -3.40 118.68 121.80 1cf4 s LEU 111 Ca 0.18 0.02 -0.02 0.00 0.69 0.00 0.00 54.13 55.00 1cf4 s LEU 111 Cb -0.01 0.84 -0.04 0.00 -0.43 0.00 0.00 46.19 46.55 1cf4 s LEU 111 CO 0.13 -0.32 0.54 -0.76 -0.29 0.00 0.00 176.35 175.65 1cf4 s LEU 112 N -1.02 4.05 0.01 -0.68 2.01 -1.23 -3.11 118.68 118.70 1cf4 s LEU 112 Ca -0.11 0.58 -0.05 0.00 0.01 0.00 0.00 54.13 54.57 1cf4 s LEU 112 Cb -0.06 -3.42 -0.01 0.00 0.01 0.00 0.00 46.19 42.72 1cf4 s LEU 112 CO 0.02 -0.23 0.08 -0.69 1.01 0.00 0.00 176.35 176.54 1cf4 s VAL 113 N -2.17 0.10 -0.33 -1.59 1.01 -1.26 -3.99 120.40 112.17 1cf4 s VAL 113 Ca 0.42 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1cf4 s VAL 113 Cb -0.10 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 35.93 1cf4 s VAL 113 CO 0.33 -0.45 0.07 -0.83 0.00 0.00 0.00 175.10 174.21 1cf4 s GLY 114 N -1.52 1.61 0.00 4.51 0.00 -0.65 -4.64 107.32 106.64 1cf4 s GLY 114 Ca -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 44.72 42.38 1cf4 s GLY 114 CO -0.00 1.19 0.32 -1.30 0.00 0.00 0.00 173.10 173.31 1cf4 n THR 115 N 4.47 0.00 -0.18 0.90 -2.24 -1.17 0.88 114.28 116.94 1cf4 n THR 115 Ca 0.02 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1cf4 n THR 115 Cb 0.42 1.11 0.14 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.21 2.89 0.05 -0.78 -0.06 -1.26 -4.28 117.38 113.73 1cf4 n GLN 116 Ca 0.00 -2.02 0.06 0.00 -2.00 0.00 0.00 57.00 53.04 1cf4 n GLN 116 Cb 0.03 -1.26 0.28 0.00 -4.06 0.00 0.00 30.24 25.23 1cf4 n GLN 116 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 1cf4 n ILE 117 N 0.39 1.35 0.08 1.69 -0.00 -1.26 -1.46 119.36 120.14 1cf4 n ILE 117 Ca 0.11 0.43 -0.21 0.00 -0.00 0.00 0.00 62.75 63.08 1cf4 n ILE 117 Cb 0.42 -1.35 -0.15 0.00 -0.00 0.00 0.00 39.64 38.56 1cf4 n ILE 117 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1cf4 h ASP 118 N 0.00 0.57 -0.07 7.28 1.82 -1.95 -3.35 116.42 120.73 1cf4 h ASP 118 Ca 0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 1cf4 h ASP 118 Cb 0.13 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.95 1cf4 h ASP 118 CO 0.00 1.50 0.00 0.00 -1.61 0.00 0.00 179.24 179.13 1cf4 n LEU 119 N -4.00 2.97 0.08 2.28 -0.00 -1.01 -4.32 117.00 113.00 1cf4 n LEU 119 Ca -0.15 -1.02 0.19 0.00 -0.00 0.00 0.00 56.01 55.03 1cf4 n LEU 119 Cb 0.91 -0.03 0.74 0.00 -0.00 0.00 0.00 43.42 45.04 1cf4 n LEU 119 CO 0.52 0.51 1.17 0.08 -0.00 0.00 0.00 177.39 179.67 1cf4 h ARG 120 N 4.56 0.00 0.00 1.47 0.11 -1.39 0.69 114.38 119.82 1cf4 h ARG 120 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1cf4 h ARG 120 Cb 0.97 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.04 1cf4 h ARG 120 CO 0.00 0.00 -0.47 -0.44 0.10 0.00 0.00 179.97 179.16 1cf4 h ASP 121 N 0.00 0.00 -1.00 0.08 3.32 -1.82 -3.45 116.42 113.54 1cf4 h ASP 121 Ca 0.19 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.68 1cf4 h ASP 121 Cb 0.90 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1cf4 h ASP 121 CO -0.00 0.39 1.57 -0.67 -1.72 0.00 0.00 179.24 178.80 1cf4 n ASP 122 N -3.17 1.77 0.00 6.45 -0.08 0.24 -4.77 116.55 117.00 1cf4 n ASP 122 Ca 0.02 0.07 0.07 0.00 -1.51 0.00 0.00 54.79 53.44 1cf4 n ASP 122 Cb 0.69 -1.29 0.39 0.00 2.34 0.00 0.00 41.12 43.26 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 8.52 0.30 0.01 -0.67 -0.02 -1.26 -2.84 135.00 139.04 1cf4 n PRO 123 Ca 0.46 0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1cf4 n PRO 123 Cb 0.28 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1cf4 h SER 124 N 0.00 -0.03 -0.61 2.55 0.87 -1.94 -2.19 113.55 112.20 1cf4 h SER 124 Ca 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1cf4 h SER 124 Cb 0.08 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 1cf4 h SER 124 CO 0.00 0.00 0.37 0.74 -0.53 0.00 0.00 176.83 177.41 1cf4 h THR 125 N -0.07 1.05 -1.00 2.23 2.02 -1.93 -0.07 112.91 115.14 1cf4 h THR 125 Ca -0.00 -0.25 0.26 0.00 0.77 0.00 0.00 66.41 67.19 1cf4 h THR 125 Cb 0.03 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 66.64 1cf4 h THR 125 CO 0.01 0.13 0.67 -0.29 0.37 0.00 0.00 175.52 176.41 1cf4 h ILE 126 N 0.72 0.56 -0.17 3.11 6.09 -1.65 1.49 117.51 127.66 1cf4 h ILE 126 Ca 0.25 -0.09 -0.15 0.00 -1.37 0.00 0.00 64.86 63.50 1cf4 h ILE 126 Cb 0.05 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.59 1cf4 h ILE 126 CO -0.12 0.05 -0.52 -0.33 -3.07 0.00 0.00 178.15 174.16 1cf4 h GLU 127 N 0.27 0.47 -0.23 2.19 4.39 -0.34 -1.12 114.58 120.21 1cf4 h GLU 127 Ca 0.52 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1cf4 h GLU 127 Cb 1.56 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 1cf4 h GLU 127 CO -0.17 0.88 -0.33 0.87 -1.16 0.00 0.00 179.01 179.10 1cf4 h LYS 128 N 0.37 0.49 -0.72 2.33 6.56 0.22 -2.27 116.57 123.55 1cf4 h LYS 128 Ca 0.01 -0.21 -0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1cf4 h LYS 128 Cb 1.04 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.65 1cf4 h LYS 128 CO 0.09 0.76 0.44 -0.07 -2.06 0.00 0.00 179.45 178.61 1cf4 h LEU 129 N 0.41 0.86 -1.37 2.94 4.07 0.54 -2.14 115.31 120.62 1cf4 h LEU 129 Ca 0.05 -0.06 0.42 0.00 0.08 0.00 0.00 57.88 58.37 1cf4 h LEU 129 Cb 0.79 -0.22 -0.13 0.00 1.08 0.00 0.00 40.66 42.18 1cf4 h LEU 129 CO 0.06 0.66 0.81 0.00 -1.08 0.00 0.00 178.44 178.90 1cf4 h ALA 130 N 1.23 2.65 -0.46 1.53 0.00 -0.60 1.69 119.26 125.30 1cf4 h ALA 130 Ca 0.26 0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.42 1cf4 h ALA 130 Cb -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1cf4 h ALA 130 CO -0.05 -1.27 0.35 0.87 0.00 0.00 0.00 179.25 179.15 1cf4 h LYS 131 N 0.11 0.00 0.00 0.00 1.79 -1.44 -3.27 116.57 113.77 1cf4 h LYS 131 Ca 0.80 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1cf4 h LYS 131 Cb 2.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.11 1cf4 h LYS 131 CO -0.44 0.00 -0.78 0.09 -1.08 0.00 0.00 179.45 177.25 1cf4 n ASN 132 N -4.31 3.70 0.00 0.86 3.02 0.42 -5.06 115.26 113.88 1cf4 n ASN 132 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1cf4 n ASN 132 Cb 0.55 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1cf4 n ASN 132 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1cf4 n LYS 133 N -1.82 0.00 0.00 3.52 4.81 0.47 -4.34 118.16 120.81 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cf4 n LYS 133 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cf4 n GLN 134 N -0.69 0.00 -2.03 1.64 10.64 -1.13 -4.41 117.38 121.39 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 3.38 0.44 2.61 3.01 -1.26 -4.76 119.74 123.17 1cf4 s LYS 135 Ca 0.00 1.40 -0.22 0.00 -1.01 0.00 0.00 55.97 56.14 1cf4 s LYS 135 Cb 0.00 -4.18 -0.09 0.00 -1.01 0.00 0.00 37.83 32.56 1cf4 s LYS 135 CO 0.00 -1.80 1.04 -1.25 0.51 0.00 0.00 175.35 173.85 1cf4 s PRO 136 N 5.55 3.99 -0.79 -1.68 0.04 -1.26 -4.83 135.00 136.01 1cf4 s PRO 136 Ca 0.78 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 1cf4 s PRO 136 Cb -0.22 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1cf4 s PRO 136 CO 0.34 -0.28 1.50 0.42 0.04 0.00 0.00 177.00 179.02 1cf4 s ILE 137 N -1.83 3.66 0.52 0.56 -1.09 -1.25 -4.99 121.20 116.78 1cf4 s ILE 137 Ca 0.63 0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.87 1cf4 s ILE 137 Cb -0.19 -4.66 -0.06 0.00 -1.58 0.00 0.00 42.46 35.98 1cf4 s ILE 137 CO 0.23 -1.59 1.16 0.42 -1.23 0.00 0.00 174.94 173.93 1cf4 s THR 138 N 6.69 3.03 0.58 2.92 -4.23 -1.26 -4.77 115.64 118.61 1cf4 s THR 138 Ca 0.48 0.69 0.32 0.00 -1.18 0.00 0.00 61.69 62.00 1cf4 s THR 138 Cb -0.07 -3.30 0.47 0.00 1.34 0.00 0.00 72.50 70.93 1cf4 s THR 138 CO 0.09 -0.10 1.62 -0.65 -0.54 0.00 0.00 174.62 175.05 1cf4 h PRO 139 N 1.42 0.00 0.02 3.99 0.11 -1.98 1.05 132.00 136.62 1cf4 h PRO 139 Ca -0.50 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.40 1cf4 h PRO 139 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1cf4 h PRO 139 CO 0.58 0.00 -0.96 0.93 -0.21 0.00 0.00 178.00 178.34 1cf4 h GLU 140 N 0.00 0.15 0.61 1.05 5.08 -1.99 -3.14 114.58 116.34 1cf4 h GLU 140 Ca 0.47 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1cf4 h GLU 140 Cb 2.35 0.06 0.01 0.00 0.50 0.00 0.00 28.75 31.67 1cf4 h GLU 140 CO -0.00 0.99 -0.29 1.15 -1.00 0.00 0.00 179.01 179.86 1cf4 h THR 141 N 0.07 0.29 -0.77 1.13 2.02 0.82 -2.52 112.91 113.95 1cf4 h THR 141 Ca -0.05 -0.28 0.15 0.00 0.77 0.00 0.00 66.41 67.00 1cf4 h THR 141 Cb 1.63 0.37 -0.10 0.00 -1.74 0.00 0.00 68.15 68.31 1cf4 h THR 141 CO 0.14 0.03 0.31 0.00 0.37 0.00 0.00 175.52 176.38 1cf4 h ALA 142 N -0.78 1.10 -0.67 6.16 0.00 -1.64 -0.42 119.26 123.01 1cf4 h ALA 142 Ca -0.08 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1cf4 h ALA 142 Cb 0.68 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1cf4 h ALA 142 CO 0.14 -0.22 0.36 1.49 0.00 0.00 0.00 179.25 181.02 1cf4 h GLU 143 N 0.45 0.63 0.50 0.00 4.81 -1.49 0.61 114.58 120.09 1cf4 h GLU 143 Ca 0.43 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1cf4 h GLU 143 Cb 0.67 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1cf4 h GLU 143 CO -0.42 0.42 -0.36 0.87 -0.73 0.00 0.00 179.01 178.79 1cf4 h LYS 144 N 0.65 -0.79 -0.59 1.92 1.57 -0.63 -1.92 116.57 116.79 1cf4 h LYS 144 Ca 0.31 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1cf4 h LYS 144 Cb 0.24 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1cf4 h LYS 144 CO -0.21 -0.53 0.38 1.25 -0.57 0.00 0.00 179.45 179.77 1cf4 h LEU 145 N -0.82 0.68 0.15 2.94 6.46 -1.32 -1.46 115.31 121.95 1cf4 h LEU 145 Ca -0.07 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1cf4 h LEU 145 Cb 0.67 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 1cf4 h LEU 145 CO 0.04 0.50 -0.49 0.00 -0.62 0.00 0.00 178.44 177.87 1cf4 h ALA 146 N 1.62 -0.99 0.00 1.25 0.00 0.52 -0.93 119.26 120.73 1cf4 h ALA 146 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cf4 h ALA 146 Cb -0.07 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1cf4 h ALA 146 CO -0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 179.25 178.03 1cf4 h ARG 147 N -0.72 0.00 -0.55 0.00 3.08 -1.20 -2.99 114.38 112.00 1cf4 h ARG 147 Ca -0.01 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1cf4 h ARG 147 Cb 0.71 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.67 1cf4 h ARG 147 CO -0.24 0.08 -0.04 0.22 -1.07 0.00 0.00 179.97 178.93 1cf4 h ASP 148 N 0.00 -0.31 -0.40 7.04 1.82 -0.06 0.29 116.42 124.80 1cf4 h ASP 148 Ca -0.00 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1cf4 h ASP 148 Cb 0.43 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1cf4 h ASP 148 CO 0.01 -0.12 0.00 0.18 -1.61 0.00 0.00 179.24 177.70 1cf4 n LEU 149 N -5.29 3.70 -3.95 2.28 7.99 -1.14 -4.92 117.00 115.67 1cf4 n LEU 149 Ca 0.07 -1.87 -0.27 0.00 -0.01 0.00 0.00 56.01 53.92 1cf4 n LEU 149 Cb 0.30 -0.55 -0.02 0.00 -0.11 0.00 0.00 43.42 43.05 1cf4 n LEU 149 CO 0.12 0.53 -0.23 0.29 -1.51 0.00 0.00 177.39 176.59 1cf4 n LYS 150 N 0.54 -2.79 0.00 3.23 5.02 0.10 -4.94 118.16 119.32 1cf4 n LYS 150 Ca 0.18 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1cf4 n LYS 150 Cb 0.75 -4.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.41 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 -4.41 0.00 -0.48 7.82 0.00 -1.14 -4.91 120.51 117.38 1cf4 n ALA 151 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1cf4 n ALA 151 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.22 -4.59 118.33 108.80 1cf4 n VAL 152 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1cf4 n VAL 152 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.52 0.12 -0.37 5.55 2.20 -1.26 -4.91 119.74 120.55 1cf4 s LYS 153 Ca 0.00 0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.60 1cf4 s LYS 153 Cb 0.00 0.06 0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1cf4 s LYS 153 CO 0.00 -0.03 0.19 -0.47 -0.36 0.00 0.00 175.35 174.68 1cf4 s TYR 154 N -0.43 3.25 0.22 4.03 5.04 -1.26 -3.56 117.35 124.65 1cf4 s TYR 154 Ca 0.07 -1.12 0.05 0.00 -2.44 0.00 0.00 57.07 53.63 1cf4 s TYR 154 Cb -0.03 -2.45 -0.03 0.00 0.35 0.00 0.00 41.96 39.80 1cf4 s TYR 154 CO -0.11 -0.69 0.30 0.08 -1.34 0.00 0.00 175.55 173.79 1cf4 s VAL 155 N 1.51 5.04 -0.23 3.14 1.01 -1.26 -4.85 120.40 124.77 1cf4 s VAL 155 Ca 0.01 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.86 1cf4 s VAL 155 Cb -0.20 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1cf4 s VAL 155 CO 0.05 -0.28 0.14 -1.61 0.00 0.00 0.00 175.10 173.41 1cf4 s GLU 156 N -3.77 4.07 0.00 2.72 2.02 -1.26 -1.63 118.70 120.85 1cf4 s GLU 156 Ca 0.34 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1cf4 s GLU 156 Cb -0.09 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1cf4 s GLU 156 CO 0.28 0.11 0.00 0.00 0.02 0.00 0.00 175.26 175.67 1cf4 s SER 158 N 0.00 4.56 -0.20 0.00 0.01 -1.24 -3.06 113.70 113.77 1cf4 s SER 158 Ca 0.00 -0.93 0.12 0.00 1.31 0.00 0.00 55.95 56.44 1cf4 s SER 158 Cb 0.00 -0.58 -0.22 0.00 0.21 0.00 0.00 66.02 65.43 1cf4 s SER 158 CO 0.00 -0.45 0.04 0.00 0.41 0.00 0.00 173.24 173.24 1cf4 n ALA 159 N -1.22 1.45 -0.33 1.44 0.00 -1.26 -1.34 120.51 119.25 1cf4 n ALA 159 Ca -0.01 -1.19 0.15 0.00 0.00 0.00 0.00 53.44 52.39 1cf4 n ALA 159 Cb 0.63 -0.23 0.38 0.00 0.00 0.00 0.00 19.45 20.22 1cf4 n ALA 159 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1cf4 h LEU 160 N 0.00 0.68 0.00 0.00 4.07 -1.97 -2.69 115.31 115.40 1cf4 h LEU 160 Ca -0.53 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1cf4 h LEU 160 Cb 2.11 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.82 1cf4 h LEU 160 CO -0.00 0.24 -0.42 1.07 -1.08 0.00 0.00 178.44 178.24 1cf4 n THR 161 N -4.70 0.00 -2.66 0.22 5.66 -1.26 -5.07 114.28 106.47 1cf4 n THR 161 Ca 0.23 -0.33 -0.02 0.00 -3.05 0.00 0.00 64.05 60.89 1cf4 n THR 161 Cb 0.63 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.24 1cf4 n THR 161 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cf4 n GLN 162 N -1.22 -1.22 -0.86 1.09 6.02 -0.56 -4.93 117.38 115.70 1cf4 n GLN 162 Ca 0.00 1.39 -0.01 0.00 -0.01 0.00 0.00 57.00 58.36 1cf4 n GLN 162 Cb 0.05 -4.76 0.30 0.00 1.02 0.00 0.00 30.24 26.85 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1cf4 n LYS 163 N -1.28 3.74 0.00 -1.09 4.81 -0.45 -4.80 118.16 119.08 1cf4 n LYS 163 Ca 0.02 -2.69 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 1cf4 n LYS 163 Cb 0.46 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cf4 n GLY 164 N 0.13 0.97 0.49 3.14 0.00 -1.26 -4.56 105.19 104.10 1cf4 n GLY 164 Ca 0.32 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.65 1cf4 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cf4 h LEU 165 N 0.00 0.06 -1.01 0.99 6.46 -1.82 0.97 115.31 120.96 1cf4 h LEU 165 Ca 0.00 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1cf4 h LEU 165 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1cf4 h LEU 165 CO 0.00 0.01 -0.41 0.07 -0.62 0.00 0.00 178.44 177.49 1cf4 h LYS 166 N 0.05 0.16 0.02 1.25 2.10 -1.94 -2.89 116.57 115.32 1cf4 h LYS 166 Ca 0.52 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1cf4 h LYS 166 Cb 1.98 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.30 1cf4 h LYS 166 CO -0.04 0.55 -0.04 -0.97 -2.00 0.00 0.00 179.45 176.95 1cf4 h ASN 167 N 0.14 -0.11 -0.79 7.07 -1.24 0.61 1.02 115.58 122.29 1cf4 h ASN 167 Ca 0.01 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.19 1cf4 h ASN 167 Cb 0.79 0.04 -0.10 0.00 0.73 0.00 0.00 38.32 39.78 1cf4 h ASN 167 CO 0.06 -0.04 0.30 1.62 -1.29 0.00 0.00 177.43 178.08 1cf4 h VAL 168 N -0.06 0.59 -0.44 2.57 3.04 -1.63 0.55 116.25 120.87 1cf4 h VAL 168 Ca -0.00 -0.14 0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1cf4 h VAL 168 Cb 0.06 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.46 1cf4 h VAL 168 CO -0.01 0.07 0.30 0.15 -1.01 0.00 0.00 177.57 177.07 1cf4 h PHE 169 N 0.41 0.55 -0.47 3.17 3.57 -1.23 -0.23 116.94 122.70 1cf4 h PHE 169 Ca 0.45 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 1cf4 h PHE 169 Cb 0.74 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1cf4 h PHE 169 CO -0.18 0.34 0.27 0.22 -2.23 0.00 0.00 178.31 176.74 1cf4 h ASP 170 N 0.59 0.56 0.62 0.41 1.82 0.65 0.30 116.42 121.37 1cf4 h ASP 170 Ca 0.17 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.63 1cf4 h ASP 170 Cb -0.05 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 1cf4 h ASP 170 CO -0.04 0.44 -0.66 -0.33 -1.61 0.00 0.00 179.24 177.04 1cf4 h GLU 171 N 0.65 0.04 0.02 0.28 3.07 -0.59 0.38 114.58 118.42 1cf4 h GLU 171 Ca 0.17 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.79 1cf4 h GLU 171 Cb -0.01 0.01 0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1cf4 h GLU 171 CO -0.03 0.68 -0.84 0.00 -1.40 0.00 0.00 179.01 177.43 1cf4 h ALA 172 N 1.31 0.07 0.02 3.43 0.00 -0.52 -3.16 119.26 120.41 1cf4 h ALA 172 Ca -0.01 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.05 1cf4 h ALA 172 Cb 1.17 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1cf4 h ALA 172 CO 0.09 0.50 -0.93 -0.84 0.00 0.00 0.00 179.25 178.07 1cf4 h ILE 173 N 0.09 1.52 -0.38 0.00 -0.00 -0.46 -3.28 117.51 115.00 1cf4 h ILE 173 Ca -0.11 -2.77 0.07 0.00 -0.00 0.00 0.00 64.86 62.05 1cf4 h ILE 173 Cb 1.53 2.57 -0.06 0.00 -0.00 0.00 0.00 36.82 40.85 1cf4 h ILE 173 CO 0.16 0.80 -0.04 0.25 -0.00 0.00 0.00 178.15 179.33 1cf4 h LEU 174 N 0.09 -0.23 -2.75 0.16 5.85 -0.30 0.34 115.31 118.46 1cf4 h LEU 174 Ca -0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1cf4 h LEU 174 Cb 1.59 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1cf4 h LEU 174 CO 0.14 -0.07 0.01 0.00 -0.34 0.00 0.00 178.44 178.17 1cf4 h ALA 175 N 1.35 1.24 0.16 1.25 0.00 -1.60 -0.74 119.26 120.91 1cf4 h ALA 175 Ca 0.18 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 1cf4 h ALA 175 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cf4 h ALA 175 CO -0.34 -0.01 -1.56 0.00 0.00 0.00 0.00 179.25 177.34 1cf4 h ALA 176 N 1.99 0.15 0.00 0.00 0.00 -0.59 -3.33 119.26 117.48 1cf4 h ALA 176 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 54.91 53.79 1cf4 h ALA 176 Cb 0.02 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cf4 h ALA 176 CO -0.00 0.90 -0.14 -0.07 0.00 0.00 0.00 179.25 179.94 1cf4 h LEU 177 N -0.09 0.00 -7.00 0.00 3.38 0.08 -3.44 115.31 108.24 1cf4 h LEU 177 Ca -0.32 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1cf4 h LEU 177 Cb 1.93 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 42.48 1cf4 h LEU 177 CO 0.13 0.14 0.53 -0.70 0.09 0.00 0.00 178.44 178.63 1cf4 s GLU 178 N -3.83 0.67 -0.04 1.13 2.12 -0.35 -4.83 118.70 113.56 1cf4 s GLU 178 Ca -0.01 0.00 -0.36 0.00 0.36 0.00 0.00 54.97 54.97 1cf4 s GLU 178 Cb 0.11 0.31 -0.14 0.00 0.26 0.00 0.00 34.13 34.67 1cf4 s GLU 178 CO 0.59 -0.24 1.70 -2.30 -0.54 0.00 0.00 175.26 174.47 1cf4 n PRO 179 N 0.40 1.81 -1.09 4.30 -0.02 -1.26 -3.90 135.00 135.24 1cf4 n PRO 179 Ca -0.10 0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 61.79 1cf4 n PRO 179 Cb 0.59 -2.43 0.21 0.00 -0.02 0.00 0.00 33.50 31.85 1cf4 n PRO 179 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1cf4 n PRO 180 N 4.99 -2.39 -3.45 0.52 -0.04 -1.26 -4.97 135.00 128.40 1cf4 n PRO 180 Ca 0.21 -1.58 -0.22 0.00 -0.04 0.00 0.00 63.50 61.88 1cf4 n PRO 180 Cb 0.24 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 1cf4 n PRO 180 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1cf4 s GLU 181 N -5.23 0.29 -0.24 0.54 0.41 -1.26 -5.02 118.70 108.18 1cf4 s GLU 181 Ca 0.62 -0.33 0.00 0.00 -0.41 0.00 0.00 54.97 54.86 1cf4 s GLU 181 Cb -0.05 -0.85 0.23 0.00 -1.78 0.00 0.00 34.13 31.68 1cf4 s GLU 181 CO 0.46 -1.04 1.73 -0.35 -0.49 0.00 0.00 175.26 175.58 1cf4 n PRO 182 N 5.23 1.63 -0.97 0.39 -0.04 -1.26 -4.97 135.00 135.01 1cf4 n PRO 182 Ca -0.03 -1.34 -0.33 0.00 -0.04 0.00 0.00 63.50 61.76 1cf4 n PRO 182 Cb 0.44 -1.53 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1cf4 n PRO 182 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1cf4 n LYS 183 N 0.17 -0.04 0.00 0.54 2.85 -1.26 -5.15 118.16 115.26 1cf4 n LYS 183 Ca 0.26 0.05 0.06 0.00 -1.05 0.00 0.00 58.31 57.63 1cf4 n LYS 183 Cb 0.77 -2.16 0.05 0.00 -0.65 0.00 0.00 35.03 33.03 1cf4 n LYS 183 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98