#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 n GLN 2 N 0.00 -1.67 0.00 2.12 7.27 -1.26 -4.58 117.38 119.26 1cf4 n GLN 2 Ca 0.00 1.48 0.00 0.00 0.07 0.00 0.00 57.00 58.55 1cf4 n GLN 2 Cb 0.00 -1.30 0.00 0.00 2.41 0.00 0.00 30.24 31.35 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1cf4 n THR 3 N 2.45 0.00 -3.66 1.69 -1.04 -1.26 -4.78 114.28 107.67 1cf4 n THR 3 Ca -0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.86 1cf4 n THR 3 Cb 0.07 -0.72 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 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 1.81 0.03 -0.28 12.58 -0.00 -1.26 -4.25 121.20 129.83 1cf4 s ILE 4 Ca 0.00 -0.60 -0.02 0.00 -0.00 0.00 0.00 60.65 60.03 1cf4 s ILE 4 Cb 0.00 -1.41 0.09 0.00 -0.00 0.00 0.00 42.46 41.14 1cf4 s ILE 4 CO 0.00 -0.12 0.09 -0.54 -0.00 0.00 0.00 174.94 174.37 1cf4 s LYS 5 N -3.84 0.58 0.18 0.37 1.02 -1.26 -4.55 119.74 112.24 1cf4 s LYS 5 Ca 0.07 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1cf4 s LYS 5 Cb -0.01 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1cf4 s LYS 5 CO -0.06 -0.91 0.22 0.00 -0.92 0.00 0.00 175.35 173.68 1cf4 s VAL 7 N -1.83 0.32 -0.06 0.00 1.01 -1.26 -2.15 120.40 116.43 1cf4 s VAL 7 Ca 0.33 -1.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 1cf4 s VAL 7 Cb -0.10 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1cf4 s VAL 7 CO 0.26 -0.97 0.01 -0.69 0.00 0.00 0.00 175.10 173.71 1cf4 s VAL 8 N -3.83 4.32 -0.23 2.92 1.01 -1.25 -3.87 120.40 119.47 1cf4 s VAL 8 Ca 0.08 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 1cf4 s VAL 8 Cb 0.07 -2.85 0.07 0.00 0.00 0.00 0.00 36.38 33.67 1cf4 s VAL 8 CO -0.09 0.53 0.57 -0.69 0.00 0.00 0.00 175.10 175.43 1cf4 s VAL 9 N -0.96 -0.01 -5.00 2.92 1.01 -1.18 -4.89 120.40 112.29 1cf4 s VAL 9 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1cf4 s VAL 9 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1cf4 s VAL 9 CO 0.05 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1cf4 n GLY 10 N 4.30 -0.87 1.83 4.51 0.00 -1.26 -3.98 105.19 109.72 1cf4 n GLY 10 Ca -0.21 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1cf4 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cf4 n ASP 11 N 3.00 3.78 -1.01 1.61 8.00 -1.26 -4.94 116.55 125.72 1cf4 n ASP 11 Ca 0.00 -3.08 -0.00 0.00 0.71 0.00 0.00 54.79 52.42 1cf4 n ASP 11 Cb 0.00 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1cf4 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cf4 n GLY 12 N -0.46 1.18 0.25 0.44 0.00 -1.26 -5.00 105.19 100.34 1cf4 n GLY 12 Ca 0.39 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.58 1cf4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cf4 h ALA 13 N 2.00 1.92 -0.10 4.61 0.00 -1.99 -3.46 119.26 122.25 1cf4 h ALA 13 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cf4 h ALA 13 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1cf4 h ALA 13 CO 0.00 0.06 0.00 0.28 0.00 0.00 0.00 179.25 179.60 1cf4 n VAL 14 N -4.49 0.00 0.00 0.00 0.31 -1.26 -3.22 118.33 109.67 1cf4 n VAL 14 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1cf4 n VAL 14 Cb 0.12 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cf4 n GLY 15 N 0.00 -1.64 0.00 2.92 0.00 -1.26 -4.88 105.19 100.33 1cf4 n GLY 15 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 0.00 -0.11 1.61 2.85 -1.20 -4.87 118.16 116.44 1cf4 n LYS 16 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1cf4 n LYS 16 Cb 0.00 -0.02 -0.13 0.00 -0.65 0.00 0.00 35.03 34.22 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1cf4 n THR 17 N -0.60 1.47 -0.46 0.58 -2.24 -1.26 -4.46 114.28 107.31 1cf4 n THR 17 Ca 0.00 -0.67 0.40 0.00 -2.27 0.00 0.00 64.05 61.51 1cf4 n THR 17 Cb 0.00 -1.12 0.67 0.00 -2.10 0.00 0.00 70.33 67.79 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 h LEU 19 N 0.01 -0.04 -0.73 0.00 4.07 -1.90 -1.23 115.31 115.50 1cf4 h LEU 19 Ca 0.88 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.91 1cf4 h LEU 19 Cb 2.79 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 44.48 1cf4 h LEU 19 CO -0.48 -0.01 0.40 -0.07 -1.08 0.00 0.00 178.44 177.20 1cf4 h LEU 20 N -0.08 0.58 0.28 1.67 3.38 -1.59 -0.92 115.31 118.62 1cf4 h LEU 20 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1cf4 h LEU 20 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1cf4 h LEU 20 CO 0.01 0.36 -0.13 0.40 0.09 0.00 0.00 178.44 179.16 1cf4 h ILE 21 N 0.71 0.00 -1.02 1.22 1.08 0.56 -1.16 117.51 118.90 1cf4 h ILE 21 Ca 0.34 -0.04 0.30 0.00 -0.39 0.00 0.00 64.86 65.07 1cf4 h ILE 21 Cb 0.26 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 1cf4 h ILE 21 CO -0.21 0.00 0.92 0.77 -0.69 0.00 0.00 178.15 178.93 1cf4 h SER 22 N -0.41 0.00 0.06 1.72 4.64 -1.15 1.47 113.55 119.87 1cf4 h SER 22 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1cf4 h SER 22 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1cf4 h SER 22 CO 0.06 0.00 -0.03 0.22 -0.87 0.00 0.00 176.83 176.21 1cf4 h TYR 23 N 0.00 -0.07 -0.21 4.77 3.20 -0.89 -3.39 116.97 120.37 1cf4 h TYR 23 Ca 0.49 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.31 1cf4 h TYR 23 Cb 2.31 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.60 1cf4 h TYR 23 CO 0.00 -0.05 -0.03 1.79 -1.64 0.00 0.00 178.16 178.24 1cf4 h THR 24 N -0.21 1.27 -0.24 1.81 1.35 -0.47 -3.44 112.91 112.98 1cf4 h THR 24 Ca -0.01 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1cf4 h THR 24 Cb 0.06 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1cf4 h THR 24 CO 0.01 0.30 0.00 0.35 -0.25 0.00 0.00 175.52 175.93 1cf4 n THR 25 N -4.64 0.00 -1.98 6.82 -2.24 0.50 -5.07 114.28 107.67 1cf4 n THR 25 Ca -0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1cf4 n THR 25 Cb 0.26 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.95 -4.56 3.42 2.04 -1.26 -4.70 115.26 109.25 1cf4 n ASN 26 Ca 0.00 -1.88 -0.26 0.00 -0.44 0.00 0.00 54.58 52.00 1cf4 n ASN 26 Cb 0.00 0.29 -0.09 0.00 -2.53 0.00 0.00 39.78 37.44 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1cf4 s LYS 27 N 0.00 2.01 0.32 -3.83 1.02 -1.26 -5.01 119.74 112.99 1cf4 s LYS 27 Ca 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.60 1cf4 s LYS 27 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1cf4 s LYS 27 CO -0.00 0.40 0.00 0.34 -0.92 0.00 0.00 175.35 175.17 1cf4 n PHE 28 N -0.22 -3.93 0.47 3.18 7.35 -1.26 -4.31 117.46 118.73 1cf4 n PHE 28 Ca -0.09 1.10 0.12 0.00 -0.76 0.00 0.00 57.45 57.82 1cf4 n PHE 28 Cb 0.57 2.88 0.21 0.00 0.35 0.00 0.00 39.48 43.49 1cf4 n PHE 28 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cf4 h PRO 29 N 0.00 0.00 0.00 -7.13 0.13 -2.00 -3.42 132.00 119.58 1cf4 h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cf4 h PRO 29 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cf4 h PRO 29 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 1cf4 n SER 30 N -2.38 0.00 -3.51 1.44 7.64 -1.26 -4.88 113.62 110.67 1cf4 n SER 30 Ca 0.04 0.11 -0.02 0.00 1.01 0.00 0.00 58.87 60.01 1cf4 n SER 30 Cb 0.47 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.22 0.52 -0.56 1.43 -1.05 -1.26 -5.11 118.70 112.44 1cf4 s GLU 31 Ca 0.00 1.22 -0.04 0.00 -0.15 0.00 0.00 54.97 56.00 1cf4 s GLU 31 Cb 0.00 0.62 0.15 0.00 -0.44 0.00 0.00 34.13 34.45 1cf4 s GLU 31 CO 0.00 -0.34 0.38 0.71 0.95 0.00 0.00 175.26 176.96 1cf4 s TYR 32 N 2.82 3.48 -0.02 4.83 1.51 -1.26 -4.86 117.35 123.85 1cf4 s TYR 32 Ca 0.03 -2.52 -0.02 0.00 -1.01 0.00 0.00 57.07 53.55 1cf4 s TYR 32 Cb -0.13 -3.26 -0.01 0.00 -0.11 0.00 0.00 41.96 38.44 1cf4 s TYR 32 CO -0.18 -0.90 -0.05 0.28 -1.11 0.00 0.00 175.55 173.59 1cf4 n VAL 33 N 3.96 0.45 -1.10 0.71 0.31 -1.26 -4.79 118.33 116.61 1cf4 n VAL 33 Ca 0.04 0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1cf4 n VAL 33 Cb 0.40 -1.58 -0.13 0.00 -0.91 0.00 0.00 33.84 31.61 1cf4 n VAL 33 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1cf4 n PRO 34 N -3.27 2.52 -0.05 5.55 -0.02 -1.26 -4.14 135.00 134.33 1cf4 n PRO 34 Ca -0.06 -1.38 0.00 0.00 -2.02 0.00 0.00 63.50 60.04 1cf4 n PRO 34 Cb 0.45 -2.24 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 1cf4 n PRO 34 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1cf4 n THR 35 N 2.80 0.77 -0.06 3.45 5.66 -1.26 -4.29 114.28 121.36 1cf4 n THR 35 Ca 0.54 -0.69 0.25 0.00 -3.05 0.00 0.00 64.05 61.10 1cf4 n THR 35 Cb 0.71 -0.29 0.71 0.00 -1.55 0.00 0.00 70.33 69.91 1cf4 n THR 35 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 1cf4 h VAL 36 N 0.00 0.42 -0.06 1.08 3.04 -1.93 0.19 116.25 118.99 1cf4 h VAL 36 Ca -0.27 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1cf4 h VAL 36 Cb 1.64 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 1cf4 h VAL 36 CO 0.02 0.00 0.27 2.19 -1.01 0.00 0.00 177.57 179.04 1cf4 h PHE 37 N 0.00 0.00 -1.49 3.17 -0.00 -1.92 -2.13 116.94 114.57 1cf4 h PHE 37 Ca 0.33 0.00 0.43 0.00 -0.00 0.00 0.00 57.97 58.73 1cf4 h PHE 37 Cb 1.53 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.42 1cf4 h PHE 37 CO 0.00 0.00 1.09 0.22 -0.00 0.00 0.00 178.31 179.62 1cf4 h ASP 38 N 0.00 0.00 0.45 -0.68 1.82 -0.93 1.23 116.42 118.31 1cf4 h ASP 38 Ca 0.03 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.56 1cf4 h ASP 38 Cb 0.58 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1cf4 h ASP 38 CO -0.00 0.00 -0.51 -1.13 -1.61 0.00 0.00 179.24 175.99 1cf4 h ASN 39 N 0.00 0.08 -1.83 2.28 -0.73 -1.48 -3.39 115.58 110.51 1cf4 h ASN 39 Ca 0.71 -0.04 -0.15 0.00 1.87 0.00 0.00 56.30 58.69 1cf4 h ASN 39 Cb 2.88 -0.02 0.09 0.00 0.27 0.00 0.00 38.32 41.54 1cf4 h ASN 39 CO -0.01 0.57 -0.06 -1.22 -0.37 0.00 0.00 177.43 176.34 1cf4 n TYR 40 N -3.94 -2.79 -3.17 0.67 4.01 0.42 -4.59 117.16 107.77 1cf4 n TYR 40 Ca -0.02 -0.34 -0.20 0.00 -0.16 0.00 0.00 57.90 57.18 1cf4 n TYR 40 Cb 0.53 -0.51 0.06 0.00 -0.31 0.00 0.00 39.34 39.10 1cf4 n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1cf4 n ALA 41 N -4.15 1.17 -2.23 -0.72 0.00 -1.26 -4.56 120.51 108.76 1cf4 n ALA 41 Ca -0.08 -2.11 -0.10 0.00 0.00 0.00 0.00 53.44 51.16 1cf4 n ALA 41 Cb 0.25 0.62 -0.10 0.00 0.00 0.00 0.00 19.45 20.22 1cf4 n ALA 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cf4 s VAL 42 N -2.60 0.10 -0.42 0.00 -7.23 -1.26 -5.08 120.40 103.91 1cf4 s VAL 42 Ca 0.56 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1cf4 s VAL 42 Cb -0.04 -2.00 0.10 0.00 0.56 0.00 0.00 36.38 35.00 1cf4 s VAL 42 CO 0.35 -0.46 0.23 0.42 -0.31 0.00 0.00 175.10 175.34 1cf4 s THR 43 N -4.03 3.71 0.20 5.32 -4.23 -1.26 -4.86 115.64 110.49 1cf4 s THR 43 Ca 0.23 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 1cf4 s THR 43 Cb 0.07 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.55 1cf4 s THR 43 CO 0.01 -0.61 0.67 1.33 -0.54 0.00 0.00 174.62 175.48 1cf4 n VAL 44 N 4.75 0.00 -3.82 2.29 0.24 -1.26 -5.14 118.33 115.39 1cf4 n VAL 44 Ca -0.06 -0.54 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 1cf4 n VAL 44 Cb 0.42 0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 33.27 1cf4 n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cf4 s MET 45 N -2.05 0.97 -0.55 7.34 0.23 -1.26 -3.71 119.30 120.27 1cf4 s MET 45 Ca 0.14 -1.25 -0.28 0.00 -1.03 0.00 0.00 55.69 53.28 1cf4 s MET 45 Cb -0.03 -2.35 -0.10 0.00 -1.53 0.00 0.00 34.83 30.83 1cf4 s MET 45 CO 0.06 -0.93 2.44 -0.89 -2.03 0.00 0.00 175.02 173.67 1cf4 n ILE 46 N 4.69 -0.02 0.00 3.16 2.08 -0.63 -4.70 119.36 123.94 1cf4 n ILE 46 Ca -0.01 -0.59 0.00 0.00 0.56 0.00 0.00 62.75 62.71 1cf4 n ILE 46 Cb 0.42 -2.27 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1cf4 n ILE 46 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cf4 n GLY 47 N 6.13 0.09 0.00 7.39 0.00 -1.26 -2.45 105.19 115.09 1cf4 n GLY 47 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.46 3.22 -0.02 0.00 -1.26 -4.86 105.19 98.81 1cf4 n GLY 48 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 1cf4 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cf4 s GLU 49 N -1.54 0.98 -0.77 1.61 2.02 -1.02 -4.91 118.70 115.07 1cf4 s GLU 49 Ca 0.00 -1.27 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1cf4 s GLU 49 Cb 0.00 0.30 -0.16 0.00 0.10 0.00 0.00 34.13 34.37 1cf4 s GLU 49 CO 0.00 -0.31 2.55 -0.35 0.02 0.00 0.00 175.26 177.17 1cf4 n PRO 50 N -0.12 0.41 -3.64 0.39 -0.04 -1.26 -3.30 135.00 127.43 1cf4 n PRO 50 Ca -0.08 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1cf4 n PRO 50 Cb 0.63 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1cf4 s TYR 51 N 9.80 -0.31 -0.01 0.54 6.14 -1.24 -4.89 117.35 127.37 1cf4 s TYR 51 Ca 1.21 0.71 0.02 0.00 0.64 0.00 0.00 57.07 59.66 1cf4 s TYR 51 Cb -0.90 0.36 -0.00 0.00 0.42 0.00 0.00 41.96 41.84 1cf4 s TYR 51 CO 0.42 -0.15 -0.07 0.95 0.64 0.00 0.00 175.55 177.34 1cf4 s THR 52 N 0.46 0.58 1.11 4.34 -4.23 -1.26 -1.61 115.64 115.03 1cf4 s THR 52 Ca 0.01 -0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 60.05 1cf4 s THR 52 Cb -0.04 -0.51 0.25 0.00 1.34 0.00 0.00 72.50 73.54 1cf4 s THR 52 CO -0.11 0.17 1.20 -1.48 -0.54 0.00 0.00 174.62 173.86 1cf4 s LEU 53 N -0.02 1.53 -0.72 4.79 0.05 -1.26 -4.97 118.68 118.08 1cf4 s LEU 53 Ca 0.01 0.47 -0.02 0.00 0.05 0.00 0.00 54.13 54.63 1cf4 s LEU 53 Cb -0.05 -2.32 0.18 0.00 -2.05 0.00 0.00 46.19 41.96 1cf4 s LEU 53 CO -0.00 -3.57 0.55 -0.83 -0.55 0.00 0.00 176.35 171.96 1cf4 s GLY 54 N -4.32 2.71 -0.33 -3.48 0.00 -1.26 -4.79 107.32 95.84 1cf4 s GLY 54 Ca 0.72 -3.47 -0.40 0.00 0.00 0.00 0.00 44.72 41.57 1cf4 s GLY 54 CO 0.55 1.13 1.88 1.04 0.00 0.00 0.00 173.10 177.70 1cf4 n LEU 55 N 3.07 2.14 -4.54 0.66 4.77 -1.26 -4.82 117.00 117.03 1cf4 n LEU 55 Ca 0.13 0.89 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 1cf4 n LEU 55 Cb 0.38 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1cf4 n LEU 55 CO 0.34 -0.54 0.89 -0.36 -1.33 0.00 0.00 177.39 176.39 1cf4 s PHE 56 N 4.63 2.70 -0.20 -1.77 0.08 -0.91 -3.81 117.98 118.69 1cf4 s PHE 56 Ca 1.03 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 58.18 1cf4 s PHE 56 Cb -1.08 -4.26 0.06 0.00 -0.57 0.00 0.00 43.02 37.16 1cf4 s PHE 56 CO 0.63 -1.49 -0.02 0.34 -0.10 0.00 0.00 175.22 174.58 1cf4 s ASP 57 N 2.97 3.21 -0.07 1.36 2.15 -1.26 -3.94 116.67 121.09 1cf4 s ASP 57 Ca 0.34 -0.90 -0.24 0.00 0.43 0.00 0.00 52.55 52.18 1cf4 s ASP 57 Cb -0.11 -0.87 -0.04 0.00 -0.30 0.00 0.00 42.92 41.60 1cf4 s ASP 57 CO 0.21 -0.25 0.71 0.42 -0.17 0.00 0.00 175.17 176.09 1cf4 s THR 58 N 1.64 5.04 -0.13 1.71 -4.23 -1.26 -4.36 115.64 114.04 1cf4 s THR 58 Ca -0.02 1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 61.93 1cf4 s THR 58 Cb -0.17 -4.05 0.04 0.00 1.34 0.00 0.00 72.50 69.66 1cf4 s THR 58 CO -0.07 0.24 0.03 0.00 -0.54 0.00 0.00 174.62 174.28 1cf4 s ALA 59 N 0.85 0.76 -0.59 3.99 0.00 -1.26 -5.03 121.76 120.48 1cf4 s ALA 59 Ca 0.38 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1cf4 s ALA 59 Cb -0.18 -0.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.89 1cf4 s ALA 59 CO 0.18 -0.84 1.77 0.41 0.00 0.00 0.00 175.76 177.29 1cf4 n GLY 60 N 5.14 2.38 0.65 0.00 0.00 -1.20 -3.89 105.19 108.26 1cf4 n GLY 60 Ca -0.08 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 5.78 0.00 -0.30 0.99 4.77 0.22 -4.82 117.00 123.63 1cf4 n LEU 61 Ca 0.37 -0.57 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1cf4 n LEU 61 Cb 0.21 0.08 0.27 0.00 -2.33 0.00 0.00 43.42 41.65 1cf4 n LEU 61 CO 0.81 -0.08 0.89 -0.33 -1.33 0.00 0.00 177.39 177.34 1cf4 h GLU 62 N 0.00 0.13 0.67 3.23 5.08 -1.99 -2.00 114.58 119.69 1cf4 h GLU 62 Ca -0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1cf4 h GLU 62 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1cf4 h GLU 62 CO 0.12 0.09 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.43 1cf4 h ASP 63 N 0.14 -0.84 -3.59 1.42 5.19 -1.95 -3.43 116.42 113.35 1cf4 h ASP 63 Ca 0.54 0.03 -0.52 0.00 -0.62 0.00 0.00 57.03 56.47 1cf4 h ASP 63 Cb 1.08 0.23 -0.33 0.00 0.18 0.00 0.00 39.33 40.49 1cf4 h ASP 63 CO -0.72 -0.57 -0.82 -0.31 -3.12 0.00 0.00 179.24 173.71 1cf4 s TYR 64 N -5.09 1.46 -0.02 4.55 1.51 -0.75 -5.07 117.35 113.95 1cf4 s TYR 64 Ca -0.14 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.42 1cf4 s TYR 64 Cb 0.02 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1cf4 s TYR 64 CO 0.42 -0.23 -0.01 -0.44 -1.11 0.00 0.00 175.55 174.18 1cf4 h ASP 65 N 6.70 0.00 0.05 2.29 3.32 -1.77 0.62 116.42 127.64 1cf4 h ASP 65 Ca -0.31 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.37 1cf4 h ASP 65 Cb 1.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 1cf4 h ASP 65 CO 0.48 0.08 -2.34 0.54 -1.72 0.00 0.00 179.24 176.28 1cf4 n ARG 66 N -2.49 0.67 0.00 3.56 5.12 -1.26 -3.90 116.66 118.36 1cf4 n ARG 66 Ca -0.01 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1cf4 n ARG 66 Cb 0.02 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.76 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 -3.03 0.00 0.00 0.55 4.32 -1.26 -4.73 117.00 112.85 1cf4 n LEU 67 Ca -0.37 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.62 1cf4 n LEU 67 Cb 1.08 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.88 1cf4 n LEU 67 CO 0.37 0.00 0.00 -1.14 -1.22 0.00 0.00 177.39 175.40 1cf4 n ARG 68 N 0.00 0.00 -0.33 3.23 0.63 -1.26 -4.97 116.66 113.96 1cf4 n ARG 68 Ca 0.00 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.98 1cf4 n ARG 68 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1cf4 h PRO 69 N 0.00 0.00 -0.41 -0.14 0.11 -1.96 1.10 132.00 130.70 1cf4 h PRO 69 Ca 0.00 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.23 1cf4 h PRO 69 Cb 0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1cf4 h PRO 69 CO 0.00 0.00 0.42 1.37 -0.21 0.00 0.00 178.00 179.58 1cf4 h LEU 70 N 0.00 0.00 0.02 2.35 8.10 -1.90 -2.32 115.31 121.56 1cf4 h LEU 70 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.44 1cf4 h LEU 70 Cb 0.70 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 1cf4 h LEU 70 CO -0.94 0.00 -0.12 -1.28 -4.11 0.00 0.00 178.44 171.98 1cf4 h SER 71 N 0.00 -0.37 -1.50 0.17 0.87 0.90 -3.40 113.55 110.22 1cf4 h SER 71 Ca 0.20 0.04 -0.44 0.00 -1.23 0.00 0.00 61.79 60.36 1cf4 h SER 71 Cb 1.04 0.14 -0.30 0.00 -0.44 0.00 0.00 62.40 62.83 1cf4 h SER 71 CO -0.00 -0.13 -0.86 0.00 -0.53 0.00 0.00 176.83 175.31 1cf4 n TYR 72 N -3.16 -1.63 -0.64 2.24 4.11 -1.05 -4.94 117.16 112.09 1cf4 n TYR 72 Ca -0.02 -2.80 -0.31 0.00 -0.00 0.00 0.00 57.90 54.77 1cf4 n TYR 72 Cb 0.10 0.47 0.19 0.00 -0.00 0.00 0.00 39.34 40.09 1cf4 n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1cf4 n PRO 73 N 1.99 -1.28 0.04 -3.48 -0.02 -0.90 -4.95 135.00 126.39 1cf4 n PRO 73 Ca 0.20 -0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.46 1cf4 n PRO 73 Cb 0.55 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1cf4 n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cf4 n GLN 74 N -3.40 0.48 -1.41 -0.52 -0.06 -1.26 -4.94 117.38 106.27 1cf4 n GLN 74 Ca 0.06 -0.03 -0.38 0.00 -2.00 0.00 0.00 57.00 54.64 1cf4 n GLN 74 Cb 0.55 -1.63 0.03 0.00 -4.06 0.00 0.00 30.24 25.13 1cf4 n GLN 74 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cf4 n THR 75 N -2.23 1.66 0.05 1.69 -1.04 -1.26 -4.91 114.28 108.24 1cf4 n THR 75 Ca -0.00 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.54 1cf4 n THR 75 Cb 0.50 -0.50 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1cf4 n ASP 76 N 1.04 0.83 -4.26 8.00 2.03 -1.26 -4.65 116.55 118.28 1cf4 n ASP 76 Ca 0.11 0.35 -0.44 0.00 0.52 0.00 0.00 54.79 55.33 1cf4 n ASP 76 Cb 0.47 0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1cf4 s VAL 77 N -3.05 4.98 -0.19 5.18 -7.23 -1.26 -2.57 120.40 116.27 1cf4 s VAL 77 Ca -0.02 -2.49 -0.28 0.00 -1.81 0.00 0.00 61.98 57.38 1cf4 s VAL 77 Cb 0.09 -4.13 -0.00 0.00 0.56 0.00 0.00 36.38 32.90 1cf4 s VAL 77 CO 0.81 -0.96 0.99 -0.36 -0.31 0.00 0.00 175.10 175.26 1cf4 s PHE 78 N 0.29 3.40 -0.47 2.82 0.40 0.12 -4.62 117.98 119.92 1cf4 s PHE 78 Ca 0.16 1.45 -0.29 0.00 -0.60 0.00 0.00 56.93 57.65 1cf4 s PHE 78 Cb -0.15 -3.19 0.02 0.00 0.51 0.00 0.00 43.02 40.20 1cf4 s PHE 78 CO -0.06 -0.37 1.25 -0.51 0.70 0.00 0.00 175.22 176.23 1cf4 s LEU 79 N 2.68 3.60 -0.24 -0.37 2.01 -1.25 -1.08 118.68 124.03 1cf4 s LEU 79 Ca 0.44 0.56 -0.07 0.00 0.01 0.00 0.00 54.13 55.07 1cf4 s LEU 79 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 46.19 42.50 1cf4 s LEU 79 CO 0.10 -1.35 0.05 0.68 1.01 0.00 0.00 176.35 176.85 1cf4 s VAL 80 N 4.88 4.22 0.35 -1.59 -7.23 -0.99 -3.13 120.40 116.92 1cf4 s VAL 80 Ca 0.52 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.50 1cf4 s VAL 80 Cb -0.09 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1cf4 s VAL 80 CO 0.32 0.37 0.54 0.00 -0.31 0.00 0.00 175.10 176.02 1cf4 n PHE 82 N -1.79 0.00 -3.83 0.00 -1.74 -1.26 -4.72 117.46 104.12 1cf4 n PHE 82 Ca -0.04 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.55 1cf4 n PHE 82 Cb 0.57 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.53 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1cf4 s SER 83 N 0.00 6.40 0.15 5.98 1.04 -1.26 -4.83 113.70 121.17 1cf4 s SER 83 Ca 0.00 0.37 -0.21 0.00 0.48 0.00 0.00 55.95 56.59 1cf4 s SER 83 Cb 0.00 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 64.16 1cf4 s SER 83 CO 0.00 0.10 1.65 -0.37 0.98 0.00 0.00 173.24 175.60 1cf4 h VAL 84 N 1.96 0.51 -1.71 5.02 -1.51 -1.86 -3.41 116.25 115.26 1cf4 h VAL 84 Ca -0.46 0.00 -0.65 0.00 -1.23 0.00 0.00 66.70 64.36 1cf4 h VAL 84 Cb 1.17 0.51 0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1cf4 h VAL 84 CO 0.73 0.00 1.18 1.33 -1.23 0.00 0.00 177.57 179.59 1cf4 n VAL 85 N -5.33 0.42 -3.69 7.19 0.24 -1.26 -3.06 118.33 112.83 1cf4 n VAL 85 Ca -0.00 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.34 62.02 1cf4 n VAL 85 Cb 0.25 -1.77 -0.11 0.00 -1.47 0.00 0.00 33.84 30.74 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 5.19 -0.47 -0.59 -1.34 0.01 -1.26 -5.00 113.70 110.24 1cf4 s SER 86 Ca 0.99 0.87 -0.04 0.00 1.31 0.00 0.00 55.95 59.08 1cf4 s SER 86 Cb -0.77 0.78 0.09 0.00 0.21 0.00 0.00 66.02 66.33 1cf4 s SER 86 CO 0.52 -0.19 2.68 -0.81 0.41 0.00 0.00 173.24 175.85 1cf4 n PRO 87 N 4.35 2.73 -1.09 12.44 -0.04 -1.26 -4.28 135.00 147.86 1cf4 n PRO 87 Ca -0.22 -2.57 -0.03 0.00 -0.04 0.00 0.00 63.50 60.64 1cf4 n PRO 87 Cb 0.55 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 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 0.91 -3.67 -0.01 3.54 2.88 -1.26 -4.16 113.62 111.85 1cf4 n SER 88 Ca 0.51 0.07 0.06 0.00 -1.33 0.00 0.00 58.87 58.18 1cf4 n SER 88 Cb 0.49 -1.43 -0.14 0.00 -0.75 0.00 0.00 64.21 62.39 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 0.58 0.21 -0.09 -3.46 2.88 -1.26 -4.51 113.62 107.97 1cf4 n SER 89 Ca -0.03 0.08 -0.13 0.00 -1.33 0.00 0.00 58.87 57.46 1cf4 n SER 89 Cb 0.15 1.41 -0.09 0.00 -0.75 0.00 0.00 64.21 64.94 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 -1.57 -0.69 0.66 3.57 -1.90 1.06 116.94 118.07 1cf4 h PHE 90 Ca -0.12 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.60 1cf4 h PHE 90 Cb 1.29 0.73 -0.11 0.00 2.79 0.00 0.00 35.95 40.64 1cf4 h PHE 90 CO 0.00 -0.50 0.07 0.93 -2.23 0.00 0.00 178.31 176.58 1cf4 h GLU 91 N -0.45 0.16 -0.10 1.11 5.08 -2.01 0.22 114.58 118.60 1cf4 h GLU 91 Ca 0.07 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1cf4 h GLU 91 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cf4 h GLU 91 CO -0.54 0.11 -0.47 -0.91 -1.00 0.00 0.00 179.01 176.20 1cf4 h ASN 92 N 0.17 0.26 0.11 1.42 4.21 -1.43 -2.70 115.58 117.62 1cf4 h ASN 92 Ca 0.38 -0.12 -0.00 0.00 1.21 0.00 0.00 56.30 57.76 1cf4 h ASN 92 Cb 0.63 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1cf4 h ASN 92 CO -0.55 0.70 -0.08 0.58 -1.29 0.00 0.00 177.43 176.79 1cf4 h VAL 93 N 0.20 0.00 -0.22 2.81 2.07 0.44 0.34 116.25 121.88 1cf4 h VAL 93 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1cf4 h VAL 93 Cb 0.91 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 1cf4 h VAL 93 CO 0.07 0.00 -0.22 0.11 0.02 0.00 0.00 177.57 177.55 1cf4 h LYS 94 N -0.17 -0.23 -0.07 1.57 1.79 -1.45 1.21 116.57 119.22 1cf4 h LYS 94 Ca -0.01 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1cf4 h LYS 94 Cb 0.14 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1cf4 h LYS 94 CO 0.01 -0.15 0.14 0.93 -1.08 0.00 0.00 179.45 179.30 1cf4 h GLU 95 N -0.24 0.00 0.00 3.15 4.39 -1.47 0.17 114.58 120.58 1cf4 h GLU 95 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1cf4 h GLU 95 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1cf4 h GLU 95 CO -0.36 0.00 -1.22 1.17 -1.16 0.00 0.00 179.01 177.44 1cf4 n LYS 96 N -3.38 0.26 -0.08 2.33 0.00 0.12 -4.36 118.16 113.04 1cf4 n LYS 96 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 58.31 58.15 1cf4 n LYS 96 Cb 0.23 -1.49 -0.05 0.00 0.00 0.00 0.00 35.03 33.72 1cf4 n LYS 96 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 1cf4 h TRP 97 N 0.00 0.00 -0.84 5.64 4.06 0.41 -3.37 115.95 121.85 1cf4 h TRP 97 Ca 0.00 0.00 0.21 0.00 2.06 0.00 0.00 58.89 61.16 1cf4 h TRP 97 Cb 0.61 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.63 1cf4 h TRP 97 CO 0.00 0.55 0.17 0.28 -3.56 0.00 0.00 178.44 175.87 1cf4 h VAL 98 N -1.00 0.33 -0.91 1.49 2.07 -1.44 0.16 116.25 116.95 1cf4 h VAL 98 Ca -0.12 -0.06 0.14 0.00 0.82 0.00 0.00 66.70 67.47 1cf4 h VAL 98 Cb 0.77 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1cf4 h VAL 98 CO -0.07 0.03 0.59 -0.65 0.02 0.00 0.00 177.57 177.48 1cf4 h PRO 99 N 0.18 0.73 0.06 1.57 0.11 -1.76 -1.63 132.00 131.27 1cf4 h PRO 99 Ca 0.51 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.31 1cf4 h PRO 99 Cb 0.98 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1cf4 h PRO 99 CO -0.65 0.48 -1.31 1.05 -0.21 0.00 0.00 178.00 177.36 1cf4 h GLU 100 N 0.75 0.12 -0.83 1.05 4.11 -0.94 -2.47 114.58 116.37 1cf4 h GLU 100 Ca 0.46 -0.20 0.15 0.00 0.07 0.00 0.00 59.36 59.84 1cf4 h GLU 100 Cb 0.67 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 1cf4 h GLU 100 CO -0.22 0.99 0.55 0.82 0.07 0.00 0.00 179.01 181.22 1cf4 h ILE 101 N 0.03 0.79 0.00 -1.06 1.08 -0.04 -0.77 117.51 117.55 1cf4 h ILE 101 Ca -0.14 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 64.07 1cf4 h ILE 101 Cb 1.91 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1cf4 h ILE 101 CO 0.14 0.10 -1.72 0.35 -0.69 0.00 0.00 178.15 176.33 1cf4 n THR 102 N -4.52 0.55 0.21 -0.27 -2.24 -1.07 -3.63 114.28 103.32 1cf4 n THR 102 Ca 0.16 -0.60 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1cf4 n THR 102 Cb 0.53 -0.28 0.46 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.00 0.00 4.78 6.17 -0.68 -2.66 115.15 122.76 1cf4 h HIS 103 Ca -0.11 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.82 1cf4 h HIS 103 Cb 1.28 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.19 1cf4 h HIS 103 CO 0.00 0.27 -1.44 0.72 0.71 0.00 0.00 177.93 178.19 1cf4 n HIS 104 N -4.07 0.91 -3.82 5.26 8.25 -0.64 -4.93 115.22 116.18 1cf4 n HIS 104 Ca -0.02 0.30 -0.12 0.00 -0.26 0.00 0.00 57.72 57.62 1cf4 n HIS 104 Cb 0.33 -1.05 -0.12 0.00 1.12 0.00 0.00 29.99 30.27 1cf4 n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cf4 s PRO 106 N -0.23 2.14 -0.28 0.00 0.04 -1.25 -4.06 135.00 131.35 1cf4 s PRO 106 Ca -0.03 0.10 -0.01 0.00 0.04 0.00 0.00 61.00 61.09 1cf4 s PRO 106 Cb -0.03 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.60 1cf4 s PRO 106 CO 0.01 -3.82 0.02 1.63 0.04 0.00 0.00 177.00 174.88 1cf4 n LYS 107 N 8.85 -3.45 -4.06 4.56 4.01 -1.26 -5.02 118.16 121.79 1cf4 n LYS 107 Ca 0.42 2.76 -0.32 0.00 -0.51 0.00 0.00 58.31 60.67 1cf4 n LYS 107 Cb 0.46 -5.15 -0.16 0.00 -0.51 0.00 0.00 35.03 29.67 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1cf4 s THR 108 N -1.52 1.89 0.82 -0.18 2.01 -1.26 -5.08 115.64 112.32 1cf4 s THR 108 Ca -0.02 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 60.77 1cf4 s THR 108 Cb 0.00 -1.86 0.09 0.00 0.01 0.00 0.00 72.50 70.74 1cf4 s THR 108 CO 0.75 0.29 1.20 -2.84 -0.69 0.00 0.00 174.62 173.33 1cf4 s PRO 109 N 1.31 1.55 -0.02 4.92 0.02 -1.06 -4.79 135.00 136.94 1cf4 s PRO 109 Ca -0.00 1.75 -0.09 0.00 0.02 0.00 0.00 61.00 62.68 1cf4 s PRO 109 Cb -0.16 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1cf4 s PRO 109 CO -0.09 -2.28 0.19 -0.59 -0.33 0.00 0.00 177.00 173.90 1cf4 s PHE 110 N -2.18 -0.06 -0.05 6.54 -0.71 -1.25 0.13 117.98 120.39 1cf4 s PHE 110 Ca 0.73 0.09 0.00 0.00 -1.04 0.00 0.00 56.93 56.71 1cf4 s PHE 110 Cb -0.28 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 1cf4 s PHE 110 CO 0.51 -0.27 -0.02 -1.17 -1.34 0.00 0.00 175.22 172.93 1cf4 s LEU 111 N -1.06 3.41 -0.04 -1.99 0.20 -0.24 -2.64 118.68 116.33 1cf4 s LEU 111 Ca -0.11 0.04 -0.06 0.00 0.69 0.00 0.00 54.13 54.68 1cf4 s LEU 111 Cb -0.06 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1cf4 s LEU 111 CO 0.02 0.34 0.21 -0.76 -0.29 0.00 0.00 176.35 175.87 1cf4 s LEU 112 N -1.06 4.39 0.02 -0.68 1.43 -1.26 -2.34 118.68 119.18 1cf4 s LEU 112 Ca 0.15 0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1cf4 s LEU 112 Cb -0.11 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1cf4 s LEU 112 CO 0.04 0.32 -0.24 -0.69 0.23 0.00 0.00 176.35 176.01 1cf4 s VAL 113 N -1.19 1.94 -0.18 -1.59 1.01 -1.25 -3.89 120.40 115.24 1cf4 s VAL 113 Ca 0.23 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 1cf4 s VAL 113 Cb -0.13 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1cf4 s VAL 113 CO 0.12 0.41 -0.16 -0.83 0.00 0.00 0.00 175.10 174.64 1cf4 s GLY 114 N -0.94 1.45 0.17 4.51 0.00 -1.19 -4.63 107.32 106.69 1cf4 s GLY 114 Ca 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1cf4 s GLY 114 CO 0.01 0.22 0.00 -1.30 0.00 0.00 0.00 173.10 172.03 1cf4 n THR 115 N 4.48 0.13 0.23 0.90 -2.24 -1.21 -2.36 114.28 114.20 1cf4 n THR 115 Ca -0.20 0.04 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1cf4 n THR 115 Cb 0.51 -0.68 0.81 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.00 -0.78 4.15 -1.90 -2.26 115.11 114.32 1cf4 h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cf4 h GLN 116 Cb 0.06 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1cf4 h GLN 116 CO 0.00 0.00 0.19 -0.84 -1.93 0.00 0.00 178.83 176.25 1cf4 h ILE 117 N 0.00 0.00 0.00 2.39 -0.00 -1.87 0.39 117.51 118.42 1cf4 h ILE 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1cf4 h ILE 117 Cb 0.05 0.46 0.00 0.00 -0.00 0.00 0.00 36.82 37.33 1cf4 h ILE 117 CO 0.00 0.00 -0.21 -0.78 -0.00 0.00 0.00 178.15 177.16 1cf4 h ASP 118 N 0.00 0.00 0.00 2.16 3.58 -1.69 -3.32 116.42 117.15 1cf4 h ASP 118 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1cf4 h ASP 118 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1cf4 h ASP 118 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1cf4 n LEU 119 N -3.01 1.09 -0.24 2.28 -0.00 0.11 -4.71 117.00 112.53 1cf4 n LEU 119 Ca 0.03 -1.09 0.29 0.00 -0.00 0.00 0.00 56.01 55.24 1cf4 n LEU 119 Cb 0.53 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.65 1cf4 n LEU 119 CO 0.35 0.27 1.27 0.08 -0.00 0.00 0.00 177.39 179.37 1cf4 h ARG 120 N 0.00 0.06 -0.00 1.47 0.11 -0.91 0.73 114.38 115.84 1cf4 h ARG 120 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1cf4 h ARG 120 Cb 0.12 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1cf4 h ARG 120 CO 0.00 0.04 0.01 -0.44 0.10 0.00 0.00 179.97 179.68 1cf4 h ASP 121 N 0.06 0.00 -0.38 0.08 3.32 -1.84 -3.43 116.42 114.24 1cf4 h ASP 121 Ca 0.48 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 57.05 1cf4 h ASP 121 Cb 1.82 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 41.31 1cf4 h ASP 121 CO -0.04 0.00 1.73 -0.67 -1.72 0.00 0.00 179.24 178.54 1cf4 n ASP 122 N -3.32 0.75 0.00 6.45 -0.08 0.25 -4.74 116.55 115.87 1cf4 n ASP 122 Ca -0.03 -0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.32 1cf4 n ASP 122 Cb 0.08 -1.08 0.36 0.00 2.34 0.00 0.00 41.12 42.82 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 8.58 0.24 -0.03 -0.67 -0.02 -1.26 -2.28 135.00 139.56 1cf4 n PRO 123 Ca 0.59 0.13 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1cf4 n PRO 123 Cb 0.16 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.00 -0.80 2.55 0.87 -1.96 -2.94 113.55 111.28 1cf4 h SER 124 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1cf4 h SER 124 Cb 0.10 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 1cf4 h SER 124 CO 0.00 0.31 0.52 0.74 -0.53 0.00 0.00 176.83 177.87 1cf4 h THR 125 N -0.53 0.92 -0.96 2.23 2.02 -1.96 0.17 112.91 114.81 1cf4 h THR 125 Ca 0.00 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1cf4 h THR 125 Cb 0.09 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 1cf4 h THR 125 CO 0.00 0.13 0.63 -0.29 0.37 0.00 0.00 175.52 176.35 1cf4 h ILE 126 N 0.70 1.16 0.00 3.11 6.09 -1.60 0.90 117.51 127.87 1cf4 h ILE 126 Ca 0.37 -0.41 -0.04 0.00 -1.37 0.00 0.00 64.86 63.41 1cf4 h ILE 126 Cb 0.50 -0.15 -0.01 0.00 0.47 0.00 0.00 36.82 37.64 1cf4 h ILE 126 CO -0.14 0.22 -0.17 -0.33 -3.07 0.00 0.00 178.15 174.65 1cf4 h GLU 127 N 1.20 0.00 0.25 2.19 4.39 -0.47 1.42 114.58 123.56 1cf4 h GLU 127 Ca 0.38 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1cf4 h GLU 127 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1cf4 h GLU 127 CO -0.12 0.17 -0.12 0.87 -1.16 0.00 0.00 179.01 178.66 1cf4 h LYS 128 N 0.00 -0.32 0.00 2.33 6.56 -0.51 -3.17 116.57 121.45 1cf4 h LYS 128 Ca -0.00 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1cf4 h LYS 128 Cb 0.32 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 1cf4 h LYS 128 CO 0.02 -0.10 -0.09 1.37 -2.06 0.00 0.00 179.45 178.59 1cf4 h LEU 129 N -1.04 0.00 -0.90 2.94 8.10 -0.97 -2.07 115.31 121.36 1cf4 h LEU 129 Ca -0.03 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.10 1cf4 h LEU 129 Cb 0.37 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.50 1cf4 h LEU 129 CO 0.06 0.09 0.50 0.00 -4.11 0.00 0.00 178.44 174.98 1cf4 h ALA 130 N 1.91 1.38 -0.56 0.17 0.00 0.19 0.36 119.26 122.71 1cf4 h ALA 130 Ca -0.00 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1cf4 h ALA 130 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1cf4 h ALA 130 CO 0.01 -0.02 0.81 0.87 0.00 0.00 0.00 179.25 180.92 1cf4 h LYS 131 N 0.72 0.00 0.00 0.00 1.79 -1.35 -2.53 116.57 115.20 1cf4 h LYS 131 Ca 0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1cf4 h LYS 131 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1cf4 h LYS 131 CO -0.34 0.00 -0.85 0.09 -1.08 0.00 0.00 179.45 177.27 1cf4 n ASN 132 N -3.27 4.22 0.00 0.86 5.03 0.21 -5.03 115.26 117.29 1cf4 n ASN 132 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 1cf4 n ASN 132 Cb 1.01 0.41 0.00 0.00 -1.02 0.00 0.00 39.78 40.18 1cf4 n ASN 132 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1cf4 n LYS 133 N -1.79 0.00 0.00 3.52 4.81 0.10 -4.33 118.16 120.47 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 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 1cf4 n LYS 133 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1cf4 n GLN 134 N -2.13 0.00 -2.28 1.64 6.02 -1.19 -4.81 117.38 114.63 1cf4 n GLN 134 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1cf4 n GLN 134 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1cf4 s LYS 135 N 0.00 3.47 0.10 -1.09 1.02 -1.26 -4.79 119.74 117.19 1cf4 s LYS 135 Ca 0.00 0.95 -0.02 0.00 0.02 0.00 0.00 55.97 56.92 1cf4 s LYS 135 Cb 0.00 -4.08 0.02 0.00 -0.52 0.00 0.00 37.83 33.26 1cf4 s LYS 135 CO 0.00 -1.70 0.09 -0.35 -0.92 0.00 0.00 175.35 172.47 1cf4 n PRO 136 N 8.25 -1.17 -3.72 -1.68 -0.04 -1.26 -4.82 135.00 130.56 1cf4 n PRO 136 Ca 0.17 -0.14 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 1cf4 n PRO 136 Cb 0.48 -0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 33.70 1cf4 n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1cf4 s ILE 137 N -1.16 3.58 0.52 0.52 -1.09 -1.17 -5.03 121.20 117.37 1cf4 s ILE 137 Ca 0.06 -2.42 -0.20 0.00 -2.23 0.00 0.00 60.65 55.87 1cf4 s ILE 137 Cb -0.01 -3.39 -0.07 0.00 -1.58 0.00 0.00 42.46 37.41 1cf4 s ILE 137 CO 0.04 -0.78 1.10 0.28 -1.23 0.00 0.00 174.94 174.35 1cf4 s THR 138 N 0.64 3.38 0.56 2.92 -1.32 -1.26 -4.67 115.64 115.90 1cf4 s THR 138 Ca 0.12 0.86 0.40 0.00 -1.21 0.00 0.00 61.69 61.86 1cf4 s THR 138 Cb -0.22 -3.35 0.59 0.00 -1.51 0.00 0.00 72.50 68.01 1cf4 s THR 138 CO -0.04 -0.19 1.64 -0.65 -2.21 0.00 0.00 174.62 173.18 1cf4 h PRO 139 N 1.32 0.00 -0.04 7.08 0.11 -1.98 1.28 132.00 139.78 1cf4 h PRO 139 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1cf4 h PRO 139 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1cf4 h PRO 139 CO 0.58 0.00 -0.56 0.93 -0.21 0.00 0.00 178.00 178.74 1cf4 h GLU 140 N 0.00 0.11 0.02 1.05 5.08 -2.00 -3.01 114.58 115.84 1cf4 h GLU 140 Ca 0.67 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1cf4 h GLU 140 Cb 2.89 0.01 0.00 0.00 0.50 0.00 0.00 28.75 32.14 1cf4 h GLU 140 CO -0.01 0.64 -0.01 1.15 -1.00 0.00 0.00 179.01 179.79 1cf4 h THR 141 N 0.09 1.42 0.03 1.13 2.02 0.13 -2.30 112.91 115.43 1cf4 h THR 141 Ca -0.00 -1.44 0.02 0.00 0.77 0.00 0.00 66.41 65.76 1cf4 h THR 141 Cb 1.02 2.37 -0.05 0.00 -1.74 0.00 0.00 68.15 69.75 1cf4 h THR 141 CO 0.08 0.36 -0.47 0.00 0.37 0.00 0.00 175.52 175.86 1cf4 h ALA 142 N 0.28 -0.92 -1.00 6.16 0.00 -1.53 -1.22 119.26 121.04 1cf4 h ALA 142 Ca -0.00 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1cf4 h ALA 142 Cb 0.62 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 1cf4 h ALA 142 CO 0.00 -1.05 0.63 1.05 0.00 0.00 0.00 179.25 179.88 1cf4 h GLU 143 N -0.62 0.95 0.08 0.00 -0.00 -1.65 0.26 114.58 113.60 1cf4 h GLU 143 Ca 0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 59.36 59.32 1cf4 h GLU 143 Cb 0.65 -0.21 -0.04 0.00 -0.00 0.00 0.00 28.75 29.14 1cf4 h GLU 143 CO -0.30 0.63 -0.47 -0.22 -0.00 0.00 0.00 179.01 178.65 1cf4 h LYS 144 N 0.98 -0.62 -0.22 1.06 3.64 -0.65 0.24 116.57 120.99 1cf4 h LYS 144 Ca 0.50 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.83 1cf4 h LYS 144 Cb 0.51 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1cf4 h LYS 144 CO -0.27 -0.42 -0.26 1.25 -2.27 0.00 0.00 179.45 177.48 1cf4 h LEU 145 N -0.65 0.42 -0.57 5.20 6.46 -0.93 -1.07 115.31 124.17 1cf4 h LEU 145 Ca -0.00 -0.14 0.05 0.00 -0.12 0.00 0.00 57.88 57.67 1cf4 h LEU 145 Cb 0.66 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 1cf4 h LEU 145 CO -0.27 0.68 0.31 0.00 -0.62 0.00 0.00 178.44 178.54 1cf4 h ALA 146 N 1.36 0.75 0.00 1.25 0.00 0.26 -1.79 119.26 121.08 1cf4 h ALA 146 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1cf4 h ALA 146 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1cf4 h ALA 146 CO 0.05 -0.02 -0.55 0.00 0.00 0.00 0.00 179.25 178.73 1cf4 h ARG 147 N 0.59 0.00 -0.45 0.00 3.08 -0.37 0.15 114.38 117.38 1cf4 h ARG 147 Ca 0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.33 1cf4 h ARG 147 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1cf4 h ARG 147 CO -0.16 0.55 0.24 -0.44 -1.07 0.00 0.00 179.97 179.09 1cf4 h ASP 148 N 0.00 0.37 -0.68 7.04 3.32 -0.34 -2.02 116.42 124.11 1cf4 h ASP 148 Ca -0.01 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1cf4 h ASP 148 Cb 1.39 -0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 1cf4 h ASP 148 CO 0.07 0.27 0.23 0.18 -1.72 0.00 0.00 179.24 178.26 1cf4 n LEU 149 N -4.87 5.81 -4.16 1.55 4.77 -0.94 -4.95 117.00 114.21 1cf4 n LEU 149 Ca 0.03 -3.24 -0.38 0.00 -0.03 0.00 0.00 56.01 52.39 1cf4 n LEU 149 Cb 0.09 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.42 1cf4 n LEU 149 CO 0.31 0.83 -0.31 2.29 -1.33 0.00 0.00 177.39 179.18 1cf4 n LYS 150 N -0.24 -0.57 0.00 3.23 0.00 -0.76 -4.91 118.16 114.91 1cf4 n LYS 150 Ca 0.39 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.75 1cf4 n LYS 150 Cb 1.33 -2.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cf4 n ALA 151 N -4.68 0.00 -0.44 0.58 0.00 0.50 -4.87 120.51 111.60 1cf4 n ALA 151 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cf4 n ALA 151 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.08 -3.95 118.33 113.19 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 -1.82 0.00 -3.05 5.55 3.00 -1.26 -4.89 118.16 115.68 1cf4 n LYS 153 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1cf4 n LYS 153 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 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 0.00 3.03 0.27 5.64 5.04 -1.26 -4.18 117.35 125.90 1cf4 s TYR 154 Ca 0.00 0.02 0.06 0.00 -2.44 0.00 0.00 57.07 54.71 1cf4 s TYR 154 Cb 0.00 -3.48 -0.03 0.00 0.35 0.00 0.00 41.96 38.81 1cf4 s TYR 154 CO 0.00 -0.92 0.34 0.08 -1.34 0.00 0.00 175.55 173.71 1cf4 s VAL 155 N 3.00 4.73 0.07 3.14 1.01 -1.25 -4.76 120.40 126.34 1cf4 s VAL 155 Ca 0.25 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 1cf4 s VAL 155 Cb -0.13 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1cf4 s VAL 155 CO 0.20 -0.29 0.55 -0.70 0.00 0.00 0.00 175.10 174.87 1cf4 s GLU 156 N -3.99 4.16 0.00 2.72 2.12 -1.26 -3.17 118.70 119.27 1cf4 s GLU 156 Ca 0.36 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1cf4 s GLU 156 Cb -0.09 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1cf4 s GLU 156 CO 0.28 0.63 0.00 0.00 -0.54 0.00 0.00 175.26 175.64 1cf4 s SER 158 N -1.94 -0.45 -0.07 0.00 0.15 -1.24 -3.32 113.70 106.82 1cf4 s SER 158 Ca 0.00 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.42 1cf4 s SER 158 Cb 0.00 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1cf4 s SER 158 CO 0.00 -1.10 -0.07 0.00 1.20 0.00 0.00 173.24 173.28 1cf4 n ALA 159 N -0.41 2.00 0.13 5.45 0.00 -1.26 -2.96 120.51 123.46 1cf4 n ALA 159 Ca -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.02 1cf4 n ALA 159 Cb 0.63 0.36 0.13 0.00 0.00 0.00 0.00 19.45 20.56 1cf4 n ALA 159 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1cf4 h LEU 160 N -0.06 0.00 0.00 0.00 -0.00 -1.93 -3.32 115.31 110.00 1cf4 h LEU 160 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.63 1cf4 h LEU 160 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.86 1cf4 h LEU 160 CO -0.04 0.66 -1.51 0.41 -0.00 0.00 0.00 178.44 177.96 1cf4 n THR 161 N -3.63 0.36 -2.00 0.15 -1.04 -1.26 -5.07 114.28 101.79 1cf4 n THR 161 Ca -0.01 -0.30 -0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1cf4 n THR 161 Cb 0.68 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.79 1cf4 n THR 161 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1cf4 n GLN 162 N -2.13 -0.45 -0.78 -2.82 0.00 -1.16 -4.95 117.38 105.09 1cf4 n GLN 162 Ca -0.09 0.84 -0.03 0.00 -0.00 0.00 0.00 57.00 57.71 1cf4 n GLN 162 Cb 0.58 -2.88 0.25 0.00 0.00 0.00 0.00 30.24 28.18 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1cf4 n LYS 163 N -1.20 3.27 0.00 3.69 5.02 -1.16 -4.74 118.16 123.04 1cf4 n LYS 163 Ca 0.00 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 1cf4 n LYS 163 Cb 0.48 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cf4 n GLY 164 N 0.04 0.87 0.39 0.72 0.00 -1.26 -3.92 105.19 102.02 1cf4 n GLY 164 Ca 0.30 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 -1.46 0.99 6.46 -1.86 0.70 115.31 120.14 1cf4 h LEU 165 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1cf4 h LEU 165 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1cf4 h LEU 165 CO 0.00 0.00 -0.15 0.07 -0.62 0.00 0.00 178.44 177.74 1cf4 h LYS 166 N 0.00 0.00 0.00 1.25 2.10 -1.91 -2.40 116.57 115.61 1cf4 h LYS 166 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1cf4 h LYS 166 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1cf4 h LYS 166 CO -0.00 0.15 0.00 -1.71 -2.00 0.00 0.00 179.45 175.89 1cf4 n ASN 167 N -3.39 0.00 -0.19 7.07 4.05 0.24 -0.56 115.26 122.49 1cf4 n ASN 167 Ca -0.00 0.85 -0.00 0.00 0.45 0.00 0.00 54.58 55.88 1cf4 n ASN 167 Cb 0.34 -0.48 0.10 0.00 1.23 0.00 0.00 39.78 40.97 1cf4 n ASN 167 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 177.26 175.83 1cf4 h VAL 168 N 0.00 0.69 -0.46 3.44 3.04 -1.66 0.27 116.25 121.57 1cf4 h VAL 168 Ca 0.00 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.67 1cf4 h VAL 168 Cb 0.00 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 29.64 1cf4 h VAL 168 CO 0.00 0.05 0.31 0.15 -1.01 0.00 0.00 177.57 177.08 1cf4 h PHE 169 N 0.28 0.31 0.00 3.17 3.57 -1.50 0.34 116.94 123.11 1cf4 h PHE 169 Ca 0.30 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1cf4 h PHE 169 Cb 0.42 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1cf4 h PHE 169 CO -0.23 0.16 -0.33 0.22 -2.23 0.00 0.00 178.31 175.90 1cf4 h ASP 170 N 0.30 0.00 0.84 0.41 3.58 0.20 -2.50 116.42 119.25 1cf4 h ASP 170 Ca 0.21 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.54 1cf4 h ASP 170 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1cf4 h ASP 170 CO -0.05 0.33 -0.57 -0.08 -2.88 0.00 0.00 179.24 175.99 1cf4 h GLU 171 N 0.00 0.00 -0.03 0.28 4.57 0.62 0.28 114.58 120.30 1cf4 h GLU 171 Ca -0.00 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.94 1cf4 h GLU 171 Cb 0.81 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1cf4 h GLU 171 CO 0.04 0.57 -0.92 0.00 -1.18 0.00 0.00 179.01 177.52 1cf4 h ALA 172 N 1.43 0.15 0.09 2.92 0.00 -1.00 -3.05 119.26 119.80 1cf4 h ALA 172 Ca -0.01 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 53.98 1cf4 h ALA 172 Cb 1.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1cf4 h ALA 172 CO 0.07 0.63 -1.24 -0.84 0.00 0.00 0.00 179.25 177.87 1cf4 h ILE 173 N 0.34 1.49 0.45 0.00 -0.00 -1.45 -3.33 117.51 115.01 1cf4 h ILE 173 Ca -0.11 -3.11 -0.01 0.00 -0.00 0.00 0.00 64.86 61.64 1cf4 h ILE 173 Cb 1.58 2.88 -0.02 0.00 -0.00 0.00 0.00 36.82 41.26 1cf4 h ILE 173 CO 0.18 0.89 -0.45 0.25 -0.00 0.00 0.00 178.15 179.03 1cf4 h LEU 174 N 0.05 -1.23 -1.76 0.16 5.85 -0.52 0.63 115.31 118.50 1cf4 h LEU 174 Ca -0.12 0.10 0.18 0.00 0.84 0.00 0.00 57.88 58.88 1cf4 h LEU 174 Cb 1.93 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 43.34 1cf4 h LEU 174 CO 0.18 -0.61 0.66 0.00 -0.34 0.00 0.00 178.44 178.33 1cf4 h ALA 175 N -0.64 2.39 0.14 1.25 0.00 -1.63 0.37 119.26 121.14 1cf4 h ALA 175 Ca -0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1cf4 h ALA 175 Cb 0.80 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cf4 h ALA 175 CO -0.07 -0.98 -1.77 0.00 0.00 0.00 0.00 179.25 176.44 1cf4 h ALA 176 N 1.26 0.28 0.00 0.00 0.00 -1.22 -3.35 119.26 116.23 1cf4 h ALA 176 Ca 0.29 -1.24 -0.03 0.00 0.00 0.00 0.00 54.91 53.93 1cf4 h ALA 176 Cb 1.61 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 1cf4 h ALA 176 CO -0.00 1.09 -0.16 -0.07 0.00 0.00 0.00 179.25 180.11 1cf4 h LEU 177 N -0.04 0.00 -7.00 0.00 3.38 0.31 -3.45 115.31 108.51 1cf4 h LEU 177 Ca -0.37 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1cf4 h LEU 177 Cb 1.97 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 42.47 1cf4 h LEU 177 CO 0.10 0.16 0.48 -0.70 0.09 0.00 0.00 178.44 178.57 1cf4 s GLU 178 N -3.84 0.53 -0.41 1.13 2.12 1.00 -4.83 118.70 114.39 1cf4 s GLU 178 Ca -0.01 0.47 -0.42 0.00 0.36 0.00 0.00 54.97 55.37 1cf4 s GLU 178 Cb 0.11 0.26 -0.17 0.00 0.26 0.00 0.00 34.13 34.59 1cf4 s GLU 178 CO 0.60 -0.10 1.90 -2.30 -0.54 0.00 0.00 175.26 174.82 1cf4 n PRO 179 N 1.80 0.50 -0.24 4.30 -0.02 -1.26 -3.82 135.00 136.26 1cf4 n PRO 179 Ca -0.12 0.17 -0.05 0.00 -2.02 0.00 0.00 63.50 61.47 1cf4 n PRO 179 Cb 0.56 -1.83 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 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 6.11 -1.03 -3.78 0.52 -0.04 -1.26 -4.97 135.00 130.56 1cf4 n PRO 180 Ca 0.38 -0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.39 1cf4 n PRO 180 Cb 0.05 -0.28 -0.08 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.47 0.68 0.00 0.54 2.02 -1.26 -5.09 118.70 112.12 1cf4 s GLU 181 Ca 0.13 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1cf4 s GLU 181 Cb -0.01 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1cf4 s GLU 181 CO 0.10 -0.20 0.00 -2.30 0.02 0.00 0.00 175.26 172.88 1cf4 n PRO 182 N 1.07 1.78 -2.35 0.39 -0.02 -1.26 -4.93 135.00 129.68 1cf4 n PRO 182 Ca -0.21 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.92 1cf4 n PRO 182 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.04 1cf4 n PRO 182 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1cf4 s LYS 183 N 0.00 3.63 0.00 -0.52 0.00 -1.26 -5.11 119.74 116.47 1cf4 s LYS 183 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 55.97 57.56 1cf4 s LYS 183 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 37.83 35.66 1cf4 s LYS 183 CO 0.00 -0.62 0.00 1.63 0.00 0.00 0.00 175.35 176.36