#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 -4.93 -1.19 2.12 -0.06 -1.26 -4.54 117.38 107.52 1cf4 n GLN 2 Ca 0.00 3.65 0.00 0.00 -2.00 0.00 0.00 57.00 58.65 1cf4 n GLN 2 Cb 0.00 -4.09 0.00 0.00 -4.06 0.00 0.00 30.24 22.09 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1cf4 n THR 3 N -0.58 0.00 -3.73 1.69 -1.04 -1.26 -4.94 114.28 104.41 1cf4 n THR 3 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1cf4 n THR 3 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.49 -0.00 -0.57 12.58 -0.00 -1.26 -3.97 121.20 127.49 1cf4 s ILE 4 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 60.65 60.48 1cf4 s ILE 4 Cb 0.00 -0.56 0.09 0.00 -0.00 0.00 0.00 42.46 42.00 1cf4 s ILE 4 CO 0.00 0.01 0.67 -0.75 -0.00 0.00 0.00 174.94 174.87 1cf4 s LYS 5 N 0.41 3.06 -0.48 0.37 2.20 -1.26 -4.38 119.74 119.66 1cf4 s LYS 5 Ca -0.02 -1.25 -0.29 0.00 -0.36 0.00 0.00 55.97 54.06 1cf4 s LYS 5 Cb -0.04 -4.23 0.03 0.00 -1.51 0.00 0.00 37.83 32.08 1cf4 s LYS 5 CO -0.02 -1.45 1.13 0.00 -0.36 0.00 0.00 175.35 174.65 1cf4 s VAL 7 N 4.42 -0.59 -0.00 0.00 1.01 -1.26 -3.47 120.40 120.50 1cf4 s VAL 7 Ca 0.47 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 1cf4 s VAL 7 Cb -0.07 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1cf4 s VAL 7 CO 0.31 -0.19 0.58 0.54 0.00 0.00 0.00 175.10 176.34 1cf4 s VAL 8 N 2.53 4.91 -0.05 2.92 0.11 -1.26 -3.51 120.40 126.05 1cf4 s VAL 8 Ca 0.12 1.20 0.01 0.00 -2.93 0.00 0.00 61.98 60.38 1cf4 s VAL 8 Cb -0.15 -3.91 0.02 0.00 -1.53 0.00 0.00 36.38 30.82 1cf4 s VAL 8 CO -0.21 0.44 -0.06 0.68 -3.33 0.00 0.00 175.10 172.62 1cf4 s VAL 9 N -0.29 0.64 -5.00 2.04 -7.23 -1.11 -4.78 120.40 104.67 1cf4 s VAL 9 Ca 0.30 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1cf4 s VAL 9 Cb -0.18 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.11 1cf4 s VAL 9 CO 0.17 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 1cf4 n GLY 10 N 4.03 0.82 1.47 2.32 0.00 -1.26 -3.84 105.19 108.74 1cf4 n GLY 10 Ca -0.24 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 43.95 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 1.59 3.94 -4.34 1.61 2.03 -1.26 -4.90 116.55 115.22 1cf4 n ASP 11 Ca 0.00 -2.68 -0.18 0.00 0.52 0.00 0.00 54.79 52.46 1cf4 n ASP 11 Cb 0.00 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.66 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1cf4 s GLY 12 N -0.49 1.43 0.13 0.27 0.00 -1.26 -4.87 107.32 102.54 1cf4 s GLY 12 Ca 0.35 -1.68 0.22 0.00 0.00 0.00 0.00 44.72 43.61 1cf4 s GLY 12 CO 0.10 -1.72 0.87 0.00 0.00 0.00 0.00 173.10 172.34 1cf4 n ALA 13 N -0.38 2.60 -1.51 3.20 0.00 -1.26 -4.82 120.51 118.34 1cf4 n ALA 13 Ca -0.08 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.78 1cf4 n ALA 13 Cb 0.61 -1.00 -0.19 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.55 -0.00 0.00 0.00 0.24 -1.26 -3.68 118.33 111.07 1cf4 n VAL 14 Ca -0.01 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1cf4 n VAL 14 Cb 0.56 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 5.87 -2.40 0.00 7.63 0.00 -1.26 -4.71 105.19 110.32 1cf4 n GLY 15 Ca 0.65 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.46 1cf4 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cf4 n LYS 16 N -0.76 0.00 0.04 1.61 3.00 -1.24 -4.73 118.16 116.07 1cf4 n LYS 16 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1cf4 n LYS 16 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 35.03 34.92 1cf4 n LYS 16 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1cf4 h THR 17 N 0.00 1.09 0.00 3.15 1.35 -1.96 -3.31 112.91 113.23 1cf4 h THR 17 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1cf4 h THR 17 Cb 0.00 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1cf4 h THR 17 CO 0.00 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1cf4 n LEU 19 N -2.47 0.00 0.05 0.00 7.99 -1.26 -1.80 117.00 119.51 1cf4 n LEU 19 Ca 0.00 0.94 -0.07 0.00 -0.01 0.00 0.00 56.01 56.87 1cf4 n LEU 19 Cb 0.00 -0.44 -0.04 0.00 -0.11 0.00 0.00 43.42 42.83 1cf4 n LEU 19 CO 0.00 -0.44 0.51 -0.07 -1.51 0.00 0.00 177.39 175.88 1cf4 h LEU 20 N 0.00 -0.66 -0.09 2.23 -0.00 -1.62 0.22 115.31 115.39 1cf4 h LEU 20 Ca 0.00 0.07 0.01 0.00 -0.00 0.00 0.00 57.88 57.96 1cf4 h LEU 20 Cb 0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1cf4 h LEU 20 CO 0.00 -0.23 -0.12 0.40 -0.00 0.00 0.00 178.44 178.49 1cf4 h ILE 21 N -0.31 0.00 -0.62 1.22 1.08 -0.14 0.96 117.51 119.70 1cf4 h ILE 21 Ca -0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 1cf4 h ILE 21 Cb 0.31 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 1cf4 h ILE 21 CO -0.12 0.00 0.65 -1.28 -0.69 0.00 0.00 178.15 176.71 1cf4 h SER 22 N -0.08 0.00 1.26 1.72 0.87 -1.35 1.46 113.55 117.43 1cf4 h SER 22 Ca 0.02 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1cf4 h SER 22 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1cf4 h SER 22 CO -0.13 0.00 -0.77 0.22 -0.53 0.00 0.00 176.83 175.62 1cf4 h TYR 23 N 0.00 0.00 0.00 2.24 3.20 0.32 -3.14 116.97 119.59 1cf4 h TYR 23 Ca 0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1cf4 h TYR 23 Cb 1.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.85 1cf4 h TYR 23 CO 0.00 0.53 -0.56 0.25 -1.64 0.00 0.00 178.16 176.74 1cf4 n THR 24 N -3.13 0.86 0.39 1.81 -2.24 0.42 -4.76 114.28 107.63 1cf4 n THR 24 Ca -0.01 0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.88 1cf4 n THR 24 Cb 0.77 -1.98 -0.09 0.00 -2.10 0.00 0.00 70.33 66.94 1cf4 n THR 24 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1cf4 h THR 25 N -0.56 0.19 -2.42 4.28 1.35 0.66 -3.48 112.91 112.92 1cf4 h THR 25 Ca 0.00 -0.15 -0.10 0.00 -0.55 0.00 0.00 66.41 65.61 1cf4 h THR 25 Cb 0.56 0.22 0.04 0.00 -1.73 0.00 0.00 68.15 67.24 1cf4 h THR 25 CO 0.00 0.01 -0.18 0.59 -0.25 0.00 0.00 175.52 175.69 1cf4 n ASN 26 N -5.48 -2.83 -3.97 5.36 5.03 -1.19 -5.02 115.26 107.17 1cf4 n ASN 26 Ca -0.14 -0.14 -0.30 0.00 0.87 0.00 0.00 54.58 54.87 1cf4 n ASN 26 Cb 0.41 -1.66 -0.14 0.00 -1.02 0.00 0.00 39.78 37.37 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1cf4 s LYS 27 N -5.07 1.93 -0.16 3.52 1.02 -1.26 -4.93 119.74 114.78 1cf4 s LYS 27 Ca 0.11 -2.51 -0.15 0.00 0.02 0.00 0.00 55.97 53.44 1cf4 s LYS 27 Cb -0.05 -3.32 -0.23 0.00 -0.52 0.00 0.00 37.83 33.71 1cf4 s LYS 27 CO 0.19 -1.09 0.30 0.35 -0.92 0.00 0.00 175.35 174.18 1cf4 h PHE 28 N 6.69 0.24 -1.34 3.18 3.57 -1.94 -3.43 116.94 123.90 1cf4 h PHE 28 Ca -0.07 -0.17 -0.71 0.00 3.53 0.00 0.00 57.97 60.55 1cf4 h PHE 28 Cb 0.91 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 39.52 1cf4 h PHE 28 CO 0.52 1.62 1.93 -0.35 -2.23 0.00 0.00 178.31 179.80 1cf4 n PRO 29 N -4.00 3.26 0.00 6.41 -0.04 -1.26 -4.52 135.00 134.85 1cf4 n PRO 29 Ca -0.32 -3.47 0.00 0.00 -0.04 0.00 0.00 63.50 59.67 1cf4 n PRO 29 Cb 0.85 -3.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1cf4 n PRO 29 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cf4 n SER 30 N 7.00 0.00 -3.49 3.54 7.64 -1.26 -5.17 113.62 121.88 1cf4 n SER 30 Ca 0.44 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.17 1cf4 n SER 30 Cb 0.44 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.43 1.14 -0.36 1.43 1.03 -1.26 -5.13 118.70 115.98 1cf4 s GLU 31 Ca 0.00 -0.11 0.00 0.00 0.03 0.00 0.00 54.97 54.89 1cf4 s GLU 31 Cb 0.00 0.53 0.12 0.00 -0.80 0.00 0.00 34.13 33.98 1cf4 s GLU 31 CO 0.00 -0.43 0.18 0.71 -1.33 0.00 0.00 175.26 174.39 1cf4 s TYR 32 N -2.41 1.43 -0.08 4.83 1.51 -1.26 -4.96 117.35 116.41 1cf4 s TYR 32 Ca -0.05 -1.87 0.17 0.00 -1.01 0.00 0.00 57.07 54.31 1cf4 s TYR 32 Cb -0.01 -1.51 0.37 0.00 -0.11 0.00 0.00 41.96 40.71 1cf4 s TYR 32 CO -0.01 -0.83 1.17 0.28 -1.11 0.00 0.00 175.55 175.05 1cf4 n VAL 33 N 4.23 0.90 0.05 0.71 0.31 -1.26 -4.84 118.33 118.43 1cf4 n VAL 33 Ca 0.05 -1.76 -0.19 0.00 -0.01 0.00 0.00 64.34 62.43 1cf4 n VAL 33 Cb 0.38 0.42 -0.14 0.00 -0.91 0.00 0.00 33.84 33.59 1cf4 n VAL 33 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1cf4 h PRO 34 N 0.81 0.29 -5.25 5.55 0.13 -2.03 -3.45 132.00 128.04 1cf4 h PRO 34 Ca -0.11 -0.50 -0.46 0.00 -0.87 0.00 0.00 66.00 64.07 1cf4 h PRO 34 Cb 1.47 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.73 1cf4 h PRO 34 CO 0.05 1.16 1.66 2.41 -0.23 0.00 0.00 178.00 183.05 1cf4 n THR 35 N -3.48 -0.03 0.00 1.56 -1.04 -1.26 -3.37 114.28 106.65 1cf4 n THR 35 Ca -0.22 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1cf4 n THR 35 Cb 1.06 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1cf4 n THR 35 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1cf4 n VAL 36 N 7.64 0.00 -1.55 12.58 3.14 -1.26 -4.60 118.33 134.27 1cf4 n VAL 36 Ca 0.54 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.71 1cf4 n VAL 36 Cb 0.25 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.14 1cf4 n VAL 36 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1cf4 n PHE 37 N 0.00 2.44 -1.20 1.45 3.01 -1.22 -4.76 117.46 117.20 1cf4 n PHE 37 Ca 0.00 -2.26 -0.22 0.00 1.01 0.00 0.00 57.45 55.99 1cf4 n PHE 37 Cb 0.00 -0.81 -0.02 0.00 -0.01 0.00 0.00 39.48 38.64 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1cf4 n ASP 38 N -0.95 6.41 -0.00 4.37 8.00 -1.26 -4.08 116.55 129.03 1cf4 n ASP 38 Ca 0.49 -3.10 0.07 0.00 0.71 0.00 0.00 54.79 52.96 1cf4 n ASP 38 Cb 0.97 -1.16 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 1cf4 n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1cf4 n ASN 39 N 0.73 1.21 -3.86 -2.24 4.05 -1.26 -4.31 115.26 109.58 1cf4 n ASN 39 Ca 0.40 -0.32 -0.29 0.00 0.45 0.00 0.00 54.58 54.82 1cf4 n ASN 39 Cb 0.58 1.44 0.28 0.00 1.23 0.00 0.00 39.78 43.31 1cf4 n ASN 39 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1cf4 s TYR 40 N -2.81 0.11 0.66 1.20 -0.85 -1.26 -4.94 117.35 109.45 1cf4 s TYR 40 Ca -0.01 0.83 -0.00 0.00 -0.52 0.00 0.00 57.07 57.36 1cf4 s TYR 40 Cb 0.10 -2.94 0.09 0.00 0.38 0.00 0.00 41.96 39.59 1cf4 s TYR 40 CO 0.63 -4.65 0.92 0.00 -1.52 0.00 0.00 175.55 170.92 1cf4 s ALA 41 N -2.29 3.74 0.01 9.51 0.00 -1.26 -4.80 121.76 126.67 1cf4 s ALA 41 Ca 0.69 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1cf4 s ALA 41 Cb -0.19 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1cf4 s ALA 41 CO 0.61 -1.19 -0.02 0.14 0.00 0.00 0.00 175.76 175.30 1cf4 s VAL 42 N -3.01 0.12 -0.55 0.00 -7.23 -1.26 -5.11 120.40 103.36 1cf4 s VAL 42 Ca 0.63 -0.46 -0.25 0.00 -1.81 0.00 0.00 61.98 60.09 1cf4 s VAL 42 Cb -0.07 -0.18 0.04 0.00 0.56 0.00 0.00 36.38 36.72 1cf4 s VAL 42 CO 0.42 -0.21 0.98 0.42 -0.31 0.00 0.00 175.10 176.40 1cf4 s THR 43 N -0.69 4.33 0.02 5.32 -4.23 -1.26 -4.88 115.64 114.25 1cf4 s THR 43 Ca -0.07 0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.63 1cf4 s THR 43 Cb -0.05 -4.56 0.06 0.00 1.34 0.00 0.00 72.50 69.29 1cf4 s THR 43 CO -0.00 -1.12 0.59 -0.69 -0.54 0.00 0.00 174.62 172.85 1cf4 s VAL 44 N 4.11 0.01 -0.43 2.29 1.01 -1.26 -5.13 120.40 121.00 1cf4 s VAL 44 Ca 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1cf4 s VAL 44 Cb -0.11 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.42 1cf4 s VAL 44 CO 0.21 -0.06 0.18 -0.32 0.00 0.00 0.00 175.10 175.11 1cf4 s MET 45 N -2.01 1.84 -0.97 2.72 1.75 -1.26 -3.65 119.30 117.72 1cf4 s MET 45 Ca -0.07 -2.14 -0.24 0.00 -1.25 0.00 0.00 55.69 51.99 1cf4 s MET 45 Cb -0.01 -3.38 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 1cf4 s MET 45 CO 0.02 -1.04 1.89 0.42 -0.65 0.00 0.00 175.02 175.66 1cf4 s ILE 46 N 0.53 3.53 0.00 10.11 -1.09 -1.23 -4.82 121.20 128.23 1cf4 s ILE 46 Ca 0.13 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1cf4 s ILE 46 Cb -0.22 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.42 1cf4 s ILE 46 CO -0.05 -1.09 0.00 0.61 -1.23 0.00 0.00 174.94 173.19 1cf4 n GLY 47 N 6.64 0.34 0.00 6.18 0.00 -1.26 -2.95 105.19 114.14 1cf4 n GLY 47 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.41 3.16 -0.02 0.00 -1.26 -4.83 105.19 98.83 1cf4 n GLY 48 Ca 0.00 0.72 -0.08 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.28 0.82 -0.80 1.61 2.02 -1.15 -4.99 118.70 114.93 1cf4 s GLU 49 Ca 0.00 -1.23 -0.23 0.00 0.02 0.00 0.00 54.97 53.54 1cf4 s GLU 49 Cb 0.00 0.27 -0.18 0.00 0.10 0.00 0.00 34.13 34.32 1cf4 s GLU 49 CO 0.00 -0.22 2.38 -2.30 0.02 0.00 0.00 175.26 175.13 1cf4 n PRO 50 N -0.02 0.48 -3.52 0.39 -0.02 -1.26 -3.47 135.00 127.57 1cf4 n PRO 50 Ca -0.11 -0.49 0.01 0.00 -2.02 0.00 0.00 63.50 60.89 1cf4 n PRO 50 Cb 0.62 -2.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 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 10.90 -0.42 0.00 6.00 6.14 -1.24 -4.94 117.35 133.80 1cf4 s TYR 51 Ca 1.05 0.78 0.02 0.00 0.64 0.00 0.00 57.07 59.56 1cf4 s TYR 51 Cb -0.36 0.25 -0.01 0.00 0.42 0.00 0.00 41.96 42.26 1cf4 s TYR 51 CO 0.24 -0.21 -0.07 0.95 0.64 0.00 0.00 175.55 177.10 1cf4 s THR 52 N 1.65 0.58 -0.08 4.34 -4.23 -1.26 -3.81 115.64 112.83 1cf4 s THR 52 Ca -0.06 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.70 1cf4 s THR 52 Cb -0.04 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1cf4 s THR 52 CO -0.15 0.07 1.43 -0.76 -0.54 0.00 0.00 174.62 174.68 1cf4 s LEU 53 N -0.42 4.27 0.71 4.79 1.43 -1.26 -4.97 118.68 123.23 1cf4 s LEU 53 Ca 0.01 2.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 1cf4 s LEU 53 Cb -0.04 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1cf4 s LEU 53 CO -0.00 -0.80 0.63 0.61 0.23 0.00 0.00 176.35 177.02 1cf4 n GLY 54 N 3.79 -1.28 3.16 -3.19 0.00 -1.26 -4.70 105.19 101.70 1cf4 n GLY 54 Ca 0.15 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1cf4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cf4 s LEU 55 N -0.84 5.53 -0.57 0.99 1.02 -1.26 -4.30 118.68 119.26 1cf4 s LEU 55 Ca 0.67 -2.41 -0.25 0.00 0.02 0.00 0.00 54.13 52.16 1cf4 s LEU 55 Cb -0.35 -1.93 0.04 0.00 0.02 0.00 0.00 46.19 43.97 1cf4 s LEU 55 CO 0.56 -0.52 1.01 0.12 0.02 0.00 0.00 176.35 177.55 1cf4 s PHE 56 N 0.60 2.73 0.41 0.29 2.19 -1.23 -4.64 117.98 118.34 1cf4 s PHE 56 Ca 0.12 0.06 0.01 0.00 0.33 0.00 0.00 56.93 57.46 1cf4 s PHE 56 Cb -0.21 -4.20 -0.01 0.00 -1.31 0.00 0.00 43.02 37.29 1cf4 s PHE 56 CO -0.03 -1.44 0.62 0.34 1.83 0.00 0.00 175.22 176.53 1cf4 s ASP 57 N 2.93 5.93 0.19 6.13 2.15 -1.26 -4.70 116.67 128.04 1cf4 s ASP 57 Ca 0.33 0.24 -0.14 0.00 0.43 0.00 0.00 52.55 53.42 1cf4 s ASP 57 Cb -0.11 -1.58 -0.07 0.00 -0.30 0.00 0.00 42.92 40.86 1cf4 s ASP 57 CO 0.20 -0.59 0.59 0.42 -0.17 0.00 0.00 175.17 175.62 1cf4 s THR 58 N -2.46 4.82 0.00 1.71 -4.23 -1.26 -4.89 115.64 109.33 1cf4 s THR 58 Ca 0.46 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1cf4 s THR 58 Cb -0.10 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1cf4 s THR 58 CO 0.37 0.14 0.00 0.00 -0.54 0.00 0.00 174.62 174.58 1cf4 n ALA 59 N 0.49 0.00 0.00 3.99 0.00 -1.26 -4.68 120.51 119.05 1cf4 n ALA 59 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cf4 n ALA 59 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1cf4 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cf4 n GLY 60 N 0.00 -1.81 0.00 0.00 0.00 -1.26 -4.48 105.19 97.63 1cf4 n GLY 60 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 61 N 0.00 0.00 -0.09 0.99 4.32 -1.04 -4.81 117.00 116.37 1cf4 n LEU 61 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1cf4 n LEU 61 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1cf4 n LEU 61 CO 0.00 0.00 -1.11 -0.62 -1.22 0.00 0.00 177.39 174.44 1cf4 n GLU 62 N -0.30 0.68 0.15 3.23 1.02 -1.26 -4.63 120.64 119.53 1cf4 n GLU 62 Ca 0.00 0.05 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1cf4 n GLU 62 Cb 0.00 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cf4 h ASP 63 N 0.00 -0.36 -2.19 1.62 1.82 -1.94 -3.47 116.42 111.90 1cf4 h ASP 63 Ca -0.52 0.01 -0.60 0.00 -0.39 0.00 0.00 57.03 55.53 1cf4 h ASP 63 Cb 2.17 0.09 -0.13 0.00 0.68 0.00 0.00 39.33 42.15 1cf4 h ASP 63 CO 0.02 -0.08 -0.73 -0.31 -1.61 0.00 0.00 179.24 176.54 1cf4 s TYR 64 N -3.05 2.39 -0.02 0.28 1.51 -1.26 -5.09 117.35 112.11 1cf4 s TYR 64 Ca -0.06 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1cf4 s TYR 64 Cb 0.01 -1.06 -0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1cf4 s TYR 64 CO 0.19 0.69 -0.02 0.22 -1.11 0.00 0.00 175.55 175.52 1cf4 h ASP 65 N 2.17 0.00 0.00 2.29 1.82 -1.87 -2.76 116.42 118.06 1cf4 h ASP 65 Ca -0.41 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 55.92 1cf4 h ASP 65 Cb 1.26 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.22 1cf4 h ASP 65 CO 0.61 0.11 -1.85 0.54 -1.61 0.00 0.00 179.24 177.03 1cf4 n ARG 66 N -2.57 0.56 -2.44 0.28 5.12 -1.26 -4.67 116.66 111.69 1cf4 n ARG 66 Ca -0.01 0.35 -0.02 0.00 -1.93 0.00 0.00 57.85 56.25 1cf4 n ARG 66 Cb 0.03 -1.56 -0.01 0.00 -1.16 0.00 0.00 32.46 29.75 1cf4 n ARG 66 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1cf4 n LEU 67 N -4.35 -5.66 -2.82 0.55 0.00 -1.26 -4.74 117.00 98.72 1cf4 n LEU 67 Ca -0.40 2.40 -0.11 0.00 0.00 0.00 0.00 56.01 57.90 1cf4 n LEU 67 Cb 0.74 -2.98 0.02 0.00 0.00 0.00 0.00 43.42 41.20 1cf4 n LEU 67 CO 0.10 -3.13 -0.08 -2.11 0.00 0.00 0.00 177.39 172.17 1cf4 n ARG 68 N 1.88 1.09 0.17 1.96 -4.01 -1.26 -4.83 116.66 111.66 1cf4 n ARG 68 Ca -0.13 -3.12 0.11 0.00 -1.04 0.00 0.00 57.85 53.68 1cf4 n ARG 68 Cb 0.20 -1.27 0.10 0.00 -3.04 0.00 0.00 32.46 28.44 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.00 -3.04 0.00 0.00 177.63 173.59 1cf4 h PRO 69 N 2.92 0.00 0.00 2.89 0.13 -1.99 -3.27 132.00 132.68 1cf4 h PRO 69 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1cf4 h PRO 69 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1cf4 h PRO 69 CO 0.44 0.02 0.00 1.47 -0.23 0.00 0.00 178.00 179.70 1cf4 n LEU 70 N -2.94 0.00 0.06 1.56 -0.00 -1.26 -3.73 117.00 110.69 1cf4 n LEU 70 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.89 1cf4 n LEU 70 Cb 0.55 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.88 1cf4 n LEU 70 CO 0.37 0.00 0.51 -1.28 -0.00 0.00 0.00 177.39 176.99 1cf4 h SER 71 N 0.00 -1.45 -0.07 1.45 0.87 -1.98 -3.40 113.55 108.98 1cf4 h SER 71 Ca 0.00 0.16 -0.24 0.00 -1.23 0.00 0.00 61.79 60.48 1cf4 h SER 71 Cb 0.00 0.55 -0.16 0.00 -0.44 0.00 0.00 62.40 62.35 1cf4 h SER 71 CO 0.00 -0.47 -0.44 0.00 -0.53 0.00 0.00 176.83 175.39 1cf4 n TYR 72 N -5.10 -2.62 -0.42 2.24 0.18 -1.26 -4.55 117.16 105.62 1cf4 n TYR 72 Ca -0.07 -2.12 -0.29 0.00 1.88 0.00 0.00 57.90 57.30 1cf4 n TYR 72 Cb 0.35 1.55 0.28 0.00 -0.38 0.00 0.00 39.34 41.14 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1cf4 s PRO 73 N 0.13 -2.12 -0.01 -3.48 0.04 -1.24 -4.87 135.00 123.44 1cf4 s PRO 73 Ca 0.23 0.46 0.18 0.00 0.04 0.00 0.00 61.00 61.91 1cf4 s PRO 73 Cb 0.33 -1.44 0.53 0.00 0.04 0.00 0.00 34.50 33.95 1cf4 s PRO 73 CO -0.06 -4.43 1.43 0.94 0.04 0.00 0.00 177.00 174.93 1cf4 n GLN 74 N -5.36 2.45 -1.46 4.56 0.00 -1.26 -4.71 117.38 111.60 1cf4 n GLN 74 Ca 0.08 -2.13 -0.42 0.00 -0.00 0.00 0.00 57.00 54.53 1cf4 n GLN 74 Cb 0.57 -1.49 0.01 0.00 0.00 0.00 0.00 30.24 29.33 1cf4 n GLN 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1cf4 n THR 75 N 1.18 1.81 -0.01 1.69 -1.04 -1.26 -4.91 114.28 111.73 1cf4 n THR 75 Ca 0.20 -0.50 0.06 0.00 -2.04 0.00 0.00 64.05 61.77 1cf4 n THR 75 Cb 0.52 -0.57 -0.11 0.00 -1.82 0.00 0.00 70.33 68.35 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1cf4 n ASP 76 N 1.27 1.60 -3.83 8.00 5.75 -1.26 -4.79 116.55 123.29 1cf4 n ASP 76 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.61 1cf4 n ASP 76 Cb 0.39 1.60 -0.12 0.00 -1.03 0.00 0.00 41.12 41.95 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1cf4 s VAL 77 N -2.97 2.33 0.72 2.12 0.11 -1.26 -4.25 120.40 117.21 1cf4 s VAL 77 Ca -0.06 -3.63 -0.11 0.00 -2.93 0.00 0.00 61.98 55.26 1cf4 s VAL 77 Cb 0.09 -2.57 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 1cf4 s VAL 77 CO 0.61 -0.96 1.10 -0.36 -3.33 0.00 0.00 175.10 172.16 1cf4 s PHE 78 N -0.75 3.20 -0.21 1.54 0.40 -1.22 -4.44 117.98 116.50 1cf4 s PHE 78 Ca 0.23 0.90 -0.04 0.00 -0.60 0.00 0.00 56.93 57.42 1cf4 s PHE 78 Cb -0.12 -3.17 0.09 0.00 0.51 0.00 0.00 43.02 40.33 1cf4 s PHE 78 CO -0.11 -1.33 0.18 -1.17 0.70 0.00 0.00 175.22 173.50 1cf4 s LEU 79 N -5.38 0.07 0.29 -0.37 2.96 -1.23 -3.69 118.68 111.32 1cf4 s LEU 79 Ca 0.59 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 1cf4 s LEU 79 Cb -0.11 0.15 -0.09 0.00 0.50 0.00 0.00 46.19 46.64 1cf4 s LEU 79 CO 0.50 -0.35 0.77 0.68 -1.32 0.00 0.00 176.35 176.63 1cf4 s VAL 80 N 2.26 4.56 0.47 1.68 -7.23 -1.19 -2.74 120.40 118.21 1cf4 s VAL 80 Ca 0.06 1.22 0.05 0.00 -1.81 0.00 0.00 61.98 61.50 1cf4 s VAL 80 Cb -0.16 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.01 1cf4 s VAL 80 CO -0.15 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 174.86 1cf4 n PHE 82 N -1.40 0.00 -3.67 0.00 -1.74 -1.26 -4.71 117.46 104.68 1cf4 n PHE 82 Ca -0.05 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.72 1cf4 n PHE 82 Cb 0.65 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.57 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 -2.58 -0.67 0.30 5.98 1.04 -1.26 -4.87 113.70 111.63 1cf4 s SER 83 Ca 0.00 1.21 0.05 0.00 0.48 0.00 0.00 55.95 57.69 1cf4 s SER 83 Cb 0.00 1.18 0.70 0.00 0.10 0.00 0.00 66.02 68.00 1cf4 s SER 83 CO 0.00 -0.21 1.78 0.58 0.98 0.00 0.00 173.24 176.37 1cf4 h VAL 84 N 4.58 0.72 -3.07 5.02 2.07 -1.90 -3.38 116.25 120.30 1cf4 h VAL 84 Ca -0.30 -0.26 -0.57 0.00 0.82 0.00 0.00 66.70 66.39 1cf4 h VAL 84 Cb 1.18 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1cf4 h VAL 84 CO 0.16 0.14 1.10 0.68 0.02 0.00 0.00 177.57 179.67 1cf4 s VAL 85 N -5.88 3.83 -0.16 2.57 -7.23 -1.26 -1.50 120.40 110.78 1cf4 s VAL 85 Ca -0.11 0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 60.82 1cf4 s VAL 85 Cb 0.24 -4.02 0.05 0.00 0.56 0.00 0.00 36.38 33.22 1cf4 s VAL 85 CO 0.80 -0.57 0.40 -0.94 -0.31 0.00 0.00 175.10 174.48 1cf4 s SER 86 N 4.18 -0.46 -0.64 4.85 1.04 -1.26 -5.03 113.70 116.37 1cf4 s SER 86 Ca 0.65 0.84 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1cf4 s SER 86 Cb -0.17 0.79 0.10 0.00 0.10 0.00 0.00 66.02 66.83 1cf4 s SER 86 CO 0.31 -0.17 2.64 -0.81 0.98 0.00 0.00 173.24 176.19 1cf4 n PRO 87 N 3.52 2.86 -1.71 4.02 -0.04 -1.26 -4.33 135.00 138.06 1cf4 n PRO 87 Ca -0.18 -2.66 -0.01 0.00 -0.04 0.00 0.00 63.50 60.61 1cf4 n PRO 87 Cb 0.56 -2.24 -0.00 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 0.90 -1.81 -0.03 3.54 2.88 -1.26 -4.34 113.62 113.51 1cf4 n SER 88 Ca 0.51 0.01 -0.01 0.00 -1.33 0.00 0.00 58.87 58.05 1cf4 n SER 88 Cb 0.47 -0.69 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.84 0.31 -0.10 -3.46 3.41 -1.26 -4.43 113.62 109.92 1cf4 n SER 89 Ca -0.01 0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.66 1cf4 n SER 89 Cb 0.36 0.98 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1cf4 h PHE 90 N 0.00 -0.83 -0.34 7.33 3.57 -1.92 0.93 116.94 125.68 1cf4 h PHE 90 Ca -0.26 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.37 1cf4 h PHE 90 Cb 1.67 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 40.75 1cf4 h PHE 90 CO 0.00 -0.37 -0.27 1.05 -2.23 0.00 0.00 178.31 176.49 1cf4 h GLU 91 N -0.25 -0.22 -0.17 1.11 4.11 -2.01 0.11 114.58 117.26 1cf4 h GLU 91 Ca 0.17 0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.60 1cf4 h GLU 91 Cb 0.52 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cf4 h GLU 91 CO -0.51 -0.15 0.05 -0.97 0.07 0.00 0.00 179.01 177.50 1cf4 h ASN 92 N -0.23 0.25 -1.00 3.06 -0.73 -1.56 -2.71 115.58 112.66 1cf4 h ASN 92 Ca 0.17 -0.22 0.19 0.00 1.87 0.00 0.00 56.30 58.31 1cf4 h ASN 92 Cb 0.49 -0.07 -0.11 0.00 0.27 0.00 0.00 38.32 38.91 1cf4 h ASN 92 CO -0.47 0.40 0.61 0.58 -0.37 0.00 0.00 177.43 178.19 1cf4 h VAL 93 N 0.09 0.70 0.03 2.57 2.07 0.16 0.47 116.25 122.34 1cf4 h VAL 93 Ca 0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1cf4 h VAL 93 Cb 0.24 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1cf4 h VAL 93 CO -0.00 0.14 -0.01 0.50 0.02 0.00 0.00 177.57 178.21 1cf4 h LYS 94 N 0.75 -0.04 -0.08 1.57 3.64 -0.56 -0.98 116.57 120.86 1cf4 h LYS 94 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 1cf4 h LYS 94 Cb 0.93 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1cf4 h LYS 94 CO -0.38 0.19 0.00 0.39 -2.27 0.00 0.00 179.45 177.38 1cf4 n GLU 95 N -5.00 1.24 -0.03 1.90 1.02 -0.54 -2.57 120.64 116.66 1cf4 n GLU 95 Ca -0.08 -0.37 -0.01 0.00 -0.02 0.00 0.00 57.16 56.68 1cf4 n GLU 95 Cb 0.14 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1cf4 n LYS 96 N -0.30 1.55 -0.09 3.49 5.02 0.15 -4.53 118.16 123.46 1cf4 n LYS 96 Ca 0.09 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.10 1cf4 n LYS 96 Cb 0.12 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1cf4 n TRP 97 N -2.19 0.68 -0.22 2.13 8.01 -0.40 -3.56 117.44 121.88 1cf4 n TRP 97 Ca -0.11 0.22 0.03 0.00 -1.31 0.00 0.00 57.50 56.33 1cf4 n TRP 97 Cb 0.63 -1.08 0.14 0.00 -2.01 0.00 0.00 31.31 28.99 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1cf4 h VAL 98 N -0.55 0.54 0.00 -0.99 2.07 -1.72 0.90 116.25 116.49 1cf4 h VAL 98 Ca -0.49 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1cf4 h VAL 98 Cb 1.67 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1cf4 h VAL 98 CO -0.16 0.04 -0.06 1.55 0.02 0.00 0.00 177.57 178.96 1cf4 h PRO 99 N 0.22 0.00 0.01 1.57 0.13 -1.79 -3.14 132.00 129.00 1cf4 h PRO 99 Ca 0.36 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.24 1cf4 h PRO 99 Cb 0.59 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 1cf4 h PRO 99 CO -0.49 0.00 -1.36 0.39 -0.23 0.00 0.00 178.00 176.31 1cf4 n GLU 100 N -2.36 0.58 0.30 0.86 -0.58 0.06 -2.79 120.64 116.71 1cf4 n GLU 100 Ca 0.05 0.54 0.17 0.00 -0.42 0.00 0.00 57.16 57.50 1cf4 n GLU 100 Cb 0.45 -1.74 0.92 0.00 -0.57 0.00 0.00 31.44 30.49 1cf4 n GLU 100 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1cf4 h ILE 101 N -0.90 0.32 0.00 -3.67 2.10 0.59 -0.98 117.51 114.97 1cf4 h ILE 101 Ca -0.36 -0.25 -0.18 0.00 1.08 0.00 0.00 64.86 65.14 1cf4 h ILE 101 Cb 1.38 1.18 -0.03 0.00 -1.09 0.00 0.00 36.82 38.26 1cf4 h ILE 101 CO -0.19 0.04 -1.55 0.35 -1.08 0.00 0.00 178.15 175.72 1cf4 n THR 102 N -3.45 1.17 0.02 2.19 -2.24 -1.18 -3.03 114.28 107.76 1cf4 n THR 102 Ca -0.02 -0.70 -0.06 0.00 -2.27 0.00 0.00 64.05 61.00 1cf4 n THR 102 Cb 0.16 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.15 0.51 4.78 -0.00 -1.16 -3.36 115.15 115.77 1cf4 h HIS 103 Ca -0.20 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.15 1cf4 h HIS 103 Cb 1.64 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 29.10 1cf4 h HIS 103 CO 0.00 0.09 -0.24 0.45 -0.00 0.00 0.00 177.93 178.23 1cf4 h HIS 104 N -1.01 -0.63 -3.47 5.26 -0.00 -1.42 -3.44 115.15 110.44 1cf4 h HIS 104 Ca -0.02 -0.01 -0.54 0.00 -0.00 0.00 0.00 60.37 59.80 1cf4 h HIS 104 Cb 0.31 0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.90 1cf4 h HIS 104 CO 0.05 -0.31 0.07 0.00 -0.00 0.00 0.00 177.93 177.74 1cf4 n PRO 106 N 1.07 1.70 -2.48 0.00 -0.04 -1.26 -4.26 135.00 129.73 1cf4 n PRO 106 Ca -0.05 -1.30 -0.05 0.00 -0.04 0.00 0.00 63.50 62.07 1cf4 n PRO 106 Cb 0.51 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1cf4 n LYS 107 N 4.42 -1.59 -4.45 0.54 4.81 -1.26 -5.04 118.16 115.59 1cf4 n LYS 107 Ca 0.37 1.60 -0.34 0.00 -0.87 0.00 0.00 58.31 59.06 1cf4 n LYS 107 Cb 0.11 -4.49 -0.10 0.00 0.02 0.00 0.00 35.03 30.58 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1cf4 s THR 108 N -2.27 4.04 1.31 3.15 -4.23 -1.26 -5.08 115.64 111.29 1cf4 s THR 108 Ca 0.15 -0.42 -0.21 0.00 -1.18 0.00 0.00 61.69 60.03 1cf4 s THR 108 Cb -0.04 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.42 1cf4 s THR 108 CO 0.55 0.55 1.02 -2.16 -0.54 0.00 0.00 174.62 174.04 1cf4 s PRO 109 N -1.02 -2.04 -0.28 3.99 0.04 -1.26 -4.87 135.00 129.56 1cf4 s PRO 109 Ca 0.14 0.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 1cf4 s PRO 109 Cb -0.11 -1.49 0.12 0.00 0.04 0.00 0.00 34.50 33.06 1cf4 s PRO 109 CO 0.04 -4.28 0.90 -0.59 0.04 0.00 0.00 177.00 173.11 1cf4 s PHE 110 N -2.64 -0.69 -0.04 0.56 -0.71 -1.25 -3.39 117.98 109.83 1cf4 s PHE 110 Ca 0.70 1.44 0.01 0.00 -1.04 0.00 0.00 56.93 58.03 1cf4 s PHE 110 Cb -0.12 0.42 -0.03 0.00 -1.21 0.00 0.00 43.02 42.07 1cf4 s PHE 110 CO 0.57 -0.34 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.91 1cf4 s LEU 111 N 1.14 3.36 0.35 -1.99 0.20 -1.24 -3.03 118.68 117.47 1cf4 s LEU 111 Ca -0.06 0.00 -0.07 0.00 0.69 0.00 0.00 54.13 54.69 1cf4 s LEU 111 Cb -0.04 -1.83 -0.06 0.00 -0.43 0.00 0.00 46.19 43.83 1cf4 s LEU 111 CO -0.14 0.33 0.65 -0.76 -0.29 0.00 0.00 176.35 176.15 1cf4 s LEU 112 N -1.14 3.95 -0.04 -0.68 2.01 -1.26 -3.20 118.68 118.32 1cf4 s LEU 112 Ca 0.15 0.89 -0.02 0.00 0.01 0.00 0.00 54.13 55.16 1cf4 s LEU 112 Cb -0.11 -3.74 0.02 0.00 0.01 0.00 0.00 46.19 42.37 1cf4 s LEU 112 CO 0.05 -0.30 0.09 -0.69 1.01 0.00 0.00 176.35 176.51 1cf4 s VAL 113 N -2.23 -0.03 -0.84 -1.59 1.01 -1.26 -3.95 120.40 111.50 1cf4 s VAL 113 Ca 0.47 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1cf4 s VAL 113 Cb -0.10 -0.15 0.21 0.00 0.00 0.00 0.00 36.38 36.34 1cf4 s VAL 113 CO 0.31 0.05 0.74 -0.83 0.00 0.00 0.00 175.10 175.37 1cf4 s GLY 114 N 0.68 2.82 0.00 4.51 0.00 -0.58 -4.73 107.32 110.03 1cf4 s GLY 114 Ca -0.05 -3.53 0.12 0.00 0.00 0.00 0.00 44.72 41.25 1cf4 s GLY 114 CO -0.03 1.21 0.93 -1.30 0.00 0.00 0.00 173.10 173.92 1cf4 n THR 115 N 3.21 0.17 -0.00 0.90 -2.24 -1.09 -0.32 114.28 114.91 1cf4 n THR 115 Ca 0.16 -0.58 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1cf4 n THR 115 Cb 0.41 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.64 0.65 -0.10 -0.78 -0.06 -1.26 -4.16 117.38 112.30 1cf4 n GLN 116 Ca 0.08 -0.05 0.26 0.00 -2.00 0.00 0.00 57.00 55.29 1cf4 n GLN 116 Cb 0.31 -1.61 0.60 0.00 -4.06 0.00 0.00 30.24 25.48 1cf4 n GLN 116 CO 0.00 0.00 0.00 -0.84 -0.20 0.00 0.00 177.06 176.02 1cf4 h ILE 117 N 0.00 0.17 -0.49 1.69 -0.00 -1.92 0.15 117.51 117.11 1cf4 h ILE 117 Ca -0.13 0.00 0.08 0.00 -0.00 0.00 0.00 64.86 64.81 1cf4 h ILE 117 Cb 1.32 0.30 -0.07 0.00 -0.00 0.00 0.00 36.82 38.38 1cf4 h ILE 117 CO 0.01 0.00 0.10 -0.78 -0.00 0.00 0.00 178.15 177.48 1cf4 h ASP 118 N 0.00 0.00 0.00 2.16 1.82 -1.88 -3.16 116.42 115.36 1cf4 h ASP 118 Ca 0.38 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 1cf4 h ASP 118 Cb 2.13 0.12 0.00 0.00 0.68 0.00 0.00 39.33 42.25 1cf4 h ASP 118 CO -0.00 0.03 -0.03 0.00 -1.61 0.00 0.00 179.24 177.62 1cf4 n LEU 119 N -5.11 1.83 -0.20 2.28 -0.00 0.27 -4.75 117.00 111.32 1cf4 n LEU 119 Ca 0.05 -2.17 0.30 0.00 -0.00 0.00 0.00 56.01 54.20 1cf4 n LEU 119 Cb 0.24 -0.16 0.72 0.00 -0.00 0.00 0.00 43.42 44.22 1cf4 n LEU 119 CO 0.21 0.52 1.28 0.08 -0.00 0.00 0.00 177.39 179.47 1cf4 h ARG 120 N 0.00 0.00 0.00 1.47 -0.00 -0.85 1.27 114.38 116.27 1cf4 h ARG 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 1cf4 h ARG 120 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.75 1cf4 h ARG 120 CO 0.00 0.00 -0.15 0.38 -0.00 0.00 0.00 179.97 180.20 1cf4 h ASP 121 N 0.00 0.00 -0.73 0.08 3.04 -1.85 -3.44 116.42 113.51 1cf4 h ASP 121 Ca 0.46 0.00 -0.58 0.00 -3.24 0.00 0.00 57.03 53.67 1cf4 h ASP 121 Cb 1.99 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 40.25 1cf4 h ASP 121 CO -0.00 0.15 1.57 -0.90 -2.04 0.00 0.00 179.24 178.01 1cf4 n ASP 122 N -3.26 1.41 0.00 4.15 5.75 0.44 -4.76 116.55 120.27 1cf4 n ASP 122 Ca 0.01 0.15 0.05 0.00 -0.01 0.00 0.00 54.79 54.98 1cf4 n ASP 122 Cb 0.41 -1.19 0.24 0.00 -1.03 0.00 0.00 41.12 39.56 1cf4 n ASP 122 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1cf4 n PRO 123 N 8.41 0.11 -0.02 0.11 -0.04 -1.26 -2.33 135.00 139.99 1cf4 n PRO 123 Ca 0.50 0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1cf4 n PRO 123 Cb 0.21 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1cf4 n PRO 123 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cf4 h SER 124 N 0.00 -0.00 -0.89 3.54 4.64 -1.96 -2.59 113.55 116.28 1cf4 h SER 124 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1cf4 h SER 124 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.13 1cf4 h SER 124 CO 0.00 0.17 0.58 0.74 -0.87 0.00 0.00 176.83 177.45 1cf4 h THR 125 N -0.35 0.95 -0.87 2.95 2.02 -1.94 0.12 112.91 115.79 1cf4 h THR 125 Ca -0.00 -0.30 0.08 0.00 0.77 0.00 0.00 66.41 66.96 1cf4 h THR 125 Cb 0.00 0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 66.35 1cf4 h THR 125 CO 0.00 0.16 0.53 -0.29 0.37 0.00 0.00 175.52 176.29 1cf4 h ILE 126 N 0.87 1.00 -0.73 3.11 6.09 -1.60 0.42 117.51 126.66 1cf4 h ILE 126 Ca 0.42 -0.32 -0.00 0.00 -1.37 0.00 0.00 64.86 63.59 1cf4 h ILE 126 Cb 0.44 -0.02 -0.04 0.00 0.47 0.00 0.00 36.82 37.68 1cf4 h ILE 126 CO -0.18 0.17 0.45 -0.08 -3.07 0.00 0.00 178.15 175.43 1cf4 h GLU 127 N 0.93 0.98 -0.12 2.19 4.81 -0.35 0.33 114.58 123.35 1cf4 h GLU 127 Ca 0.39 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1cf4 h GLU 127 Cb 0.25 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1cf4 h GLU 127 CO -0.20 0.68 0.04 0.87 -0.73 0.00 0.00 179.01 179.66 1cf4 h LYS 128 N 1.00 0.17 -0.03 1.92 6.56 -0.49 -0.38 116.57 125.32 1cf4 h LYS 128 Ca 0.26 -0.02 -0.22 0.00 -1.06 0.00 0.00 60.65 59.62 1cf4 h LYS 128 Cb -0.06 -0.04 0.02 0.00 -0.57 0.00 0.00 32.23 31.59 1cf4 h LYS 128 CO -0.05 0.16 -0.82 -0.07 -2.06 0.00 0.00 179.45 176.60 1cf4 h LEU 129 N 0.17 0.77 -1.61 2.94 3.38 -0.22 -3.17 115.31 117.58 1cf4 h LEU 129 Ca 0.04 -0.72 0.41 0.00 0.09 0.00 0.00 57.88 57.70 1cf4 h LEU 129 Cb 0.06 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.48 1cf4 h LEU 129 CO -0.00 1.39 0.91 0.00 0.09 0.00 0.00 178.44 180.83 1cf4 h ALA 130 N 0.40 2.90 -1.02 1.53 0.00 0.13 1.59 119.26 124.79 1cf4 h ALA 130 Ca -0.09 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.13 1cf4 h ALA 130 Cb 1.49 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1cf4 h ALA 130 CO 0.16 -1.42 0.69 0.87 0.00 0.00 0.00 179.25 179.55 1cf4 h LYS 131 N 0.11 0.20 0.00 0.00 1.79 -1.46 -3.12 116.57 114.09 1cf4 h LYS 131 Ca 0.75 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.21 1cf4 h LYS 131 Cb 2.51 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 33.12 1cf4 h LYS 131 CO -0.25 0.13 -0.84 0.09 -1.08 0.00 0.00 179.45 177.51 1cf4 n ASN 132 N -4.41 4.06 0.00 0.86 3.02 0.26 -5.08 115.26 113.97 1cf4 n ASN 132 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1cf4 n ASN 132 Cb 0.96 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cf4 n LYS 133 N -1.83 0.00 0.00 3.52 4.76 0.47 -4.70 118.16 120.38 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cf4 n LYS 133 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n GLN 134 N 0.00 0.00 -2.04 1.97 10.64 -1.21 -3.91 117.38 122.83 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 3.40 -0.06 2.61 -0.14 -1.26 -4.82 119.74 119.47 1cf4 s LYS 135 Ca 0.00 1.41 -0.30 0.00 -1.36 0.00 0.00 55.97 55.72 1cf4 s LYS 135 Cb 0.00 -4.17 -0.02 0.00 -1.68 0.00 0.00 37.83 31.96 1cf4 s LYS 135 CO 0.00 -1.78 1.01 -1.25 -0.76 0.00 0.00 175.35 172.57 1cf4 s PRO 136 N 5.51 4.47 -0.68 -1.68 0.04 -1.26 -4.67 135.00 136.74 1cf4 s PRO 136 Ca 0.78 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 1cf4 s PRO 136 Cb -0.22 -3.50 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 1cf4 s PRO 136 CO 0.33 -0.22 2.43 -0.89 0.04 0.00 0.00 177.00 178.70 1cf4 n ILE 137 N 4.28 -0.04 -1.57 0.56 2.08 -0.56 -4.91 119.36 119.20 1cf4 n ILE 137 Ca 0.08 -0.61 -0.33 0.00 0.56 0.00 0.00 62.75 62.45 1cf4 n ILE 137 Cb 0.49 -2.13 0.07 0.00 -0.75 0.00 0.00 39.64 37.32 1cf4 n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1cf4 s THR 138 N 12.08 2.98 0.57 1.39 -4.23 -1.26 -4.63 115.64 122.54 1cf4 s THR 138 Ca 1.02 0.44 0.33 0.00 -1.18 0.00 0.00 61.69 62.30 1cf4 s THR 138 Cb -0.31 -2.94 0.48 0.00 1.34 0.00 0.00 72.50 71.08 1cf4 s THR 138 CO 0.24 -0.30 1.73 -0.65 -0.54 0.00 0.00 174.62 175.10 1cf4 h PRO 139 N -0.28 0.00 0.00 3.99 0.11 -2.00 0.98 132.00 134.81 1cf4 h PRO 139 Ca -0.46 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 1cf4 h PRO 139 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1cf4 h PRO 139 CO 0.52 0.00 -0.87 0.93 -0.21 0.00 0.00 178.00 178.37 1cf4 h GLU 140 N 0.00 0.04 0.40 1.05 5.08 -1.99 -2.86 114.58 116.30 1cf4 h GLU 140 Ca 0.46 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1cf4 h GLU 140 Cb 2.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.40 1cf4 h GLU 140 CO -0.00 0.88 -0.19 1.15 -1.00 0.00 0.00 179.01 179.85 1cf4 h THR 141 N 0.02 0.00 -0.92 1.13 2.02 0.69 -1.67 112.91 114.18 1cf4 h THR 141 Ca -0.02 -0.36 0.19 0.00 0.77 0.00 0.00 66.41 67.00 1cf4 h THR 141 Cb 1.53 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 1cf4 h THR 141 CO 0.12 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.61 1cf4 h ALA 142 N -1.39 2.07 -0.54 6.16 0.00 -1.60 0.12 119.26 124.07 1cf4 h ALA 142 Ca -0.05 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1cf4 h ALA 142 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cf4 h ALA 142 CO 0.09 -0.37 0.03 1.49 0.00 0.00 0.00 179.25 180.50 1cf4 h GLU 143 N 0.50 0.93 0.38 0.00 4.81 -1.52 0.09 114.58 119.77 1cf4 h GLU 143 Ca 0.49 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1cf4 h GLU 143 Cb 1.07 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1cf4 h GLU 143 CO -0.21 0.93 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.40 1cf4 h LYS 144 N 0.81 -0.72 -0.66 1.92 1.63 0.23 0.13 116.57 119.92 1cf4 h LYS 144 Ca 0.16 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1cf4 h LYS 144 Cb 0.49 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.24 1cf4 h LYS 144 CO 0.02 -0.48 0.40 1.25 -3.45 0.00 0.00 179.45 177.19 1cf4 h LEU 145 N -0.75 0.64 -1.47 5.20 5.85 -1.50 1.27 115.31 124.55 1cf4 h LEU 145 Ca -0.05 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1cf4 h LEU 145 Cb 0.65 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1cf4 h LEU 145 CO -0.04 0.44 0.51 0.00 -0.34 0.00 0.00 178.44 179.01 1cf4 h ALA 146 N 1.29 1.96 0.01 1.25 0.00 -0.71 0.23 119.26 123.29 1cf4 h ALA 146 Ca 0.27 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1cf4 h ALA 146 Cb 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1cf4 h ALA 146 CO -0.12 -0.15 -1.82 0.54 0.00 0.00 0.00 179.25 177.71 1cf4 n ARG 147 N -4.50 0.65 -0.13 0.00 1.74 0.45 -0.43 116.66 114.44 1cf4 n ARG 147 Ca 0.14 0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 1cf4 n ARG 147 Cb 0.44 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1cf4 n ARG 147 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1cf4 h ASP 148 N 0.01 0.62 -0.33 0.55 1.82 0.26 -2.50 116.42 116.84 1cf4 h ASP 148 Ca -0.33 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 1cf4 h ASP 148 Cb 2.04 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.89 1cf4 h ASP 148 CO 0.07 0.72 0.00 0.18 -1.61 0.00 0.00 179.24 178.60 1cf4 n LEU 149 N -4.53 2.52 -4.08 2.28 7.99 0.71 -4.91 117.00 116.99 1cf4 n LEU 149 Ca -0.01 -1.27 -0.30 0.00 -0.01 0.00 0.00 56.01 54.42 1cf4 n LEU 149 Cb 0.23 -0.39 -0.03 0.00 -0.11 0.00 0.00 43.42 43.13 1cf4 n LEU 149 CO 0.39 0.47 -0.16 1.17 -1.51 0.00 0.00 177.39 177.75 1cf4 n LYS 150 N 0.47 -3.20 0.00 3.23 0.00 -0.94 -4.92 118.16 112.79 1cf4 n LYS 150 Ca 0.13 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.82 1cf4 n LYS 150 Cb 0.48 -4.73 0.00 0.00 0.00 0.00 0.00 35.03 30.77 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 -4.42 0.00 -0.54 3.14 0.00 0.43 -4.89 120.51 114.23 1cf4 n ALA 151 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1cf4 n ALA 151 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.15 0.00 0.31 -1.17 -4.23 118.33 109.71 1cf4 n VAL 152 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1cf4 n VAL 152 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.46 0.07 -0.37 5.55 2.47 -1.26 -4.99 119.74 120.75 1cf4 s LYS 153 Ca 0.00 0.11 -0.28 0.00 -1.56 0.00 0.00 55.97 54.24 1cf4 s LYS 153 Cb 0.00 0.06 0.02 0.00 -1.46 0.00 0.00 37.83 36.45 1cf4 s LYS 153 CO 0.00 -0.08 1.05 -0.47 0.16 0.00 0.00 175.35 176.01 1cf4 s TYR 154 N 2.98 3.06 0.18 4.03 5.04 -1.26 -4.35 117.35 127.03 1cf4 s TYR 154 Ca -0.02 0.99 0.07 0.00 -2.44 0.00 0.00 57.07 55.67 1cf4 s TYR 154 Cb -0.07 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.35 1cf4 s TYR 154 CO -0.10 -0.89 0.06 0.08 -1.34 0.00 0.00 175.55 173.35 1cf4 s VAL 155 N 3.79 4.02 -0.29 3.14 1.01 -1.25 -4.85 120.40 125.96 1cf4 s VAL 155 Ca 0.44 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1cf4 s VAL 155 Cb -0.11 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1cf4 s VAL 155 CO 0.20 -0.13 0.44 -1.83 0.00 0.00 0.00 175.10 173.78 1cf4 s GLU 156 N -3.06 3.92 0.00 2.72 -1.05 -1.26 -1.52 118.70 118.44 1cf4 s GLU 156 Ca 0.29 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 1cf4 s GLU 156 Cb -0.09 -3.70 0.00 0.00 -0.44 0.00 0.00 34.13 29.90 1cf4 s GLU 156 CO 0.21 -0.40 0.00 0.00 0.95 0.00 0.00 175.26 176.02 1cf4 s SER 158 N 0.00 4.42 -0.05 0.00 0.01 -1.25 -2.68 113.70 114.15 1cf4 s SER 158 Ca 0.00 -0.36 -0.17 0.00 1.31 0.00 0.00 55.95 56.73 1cf4 s SER 158 Cb 0.00 -0.86 -0.31 0.00 0.21 0.00 0.00 66.02 65.06 1cf4 s SER 158 CO 0.00 0.19 0.75 0.00 0.41 0.00 0.00 173.24 174.59 1cf4 h ALA 159 N 3.71 0.04 -1.02 1.44 0.00 -1.93 1.29 119.26 122.79 1cf4 h ALA 159 Ca -0.49 -0.95 0.25 0.00 0.00 0.00 0.00 54.91 53.72 1cf4 h ALA 159 Cb 1.17 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 1cf4 h ALA 159 CO 0.52 0.72 0.66 1.37 0.00 0.00 0.00 179.25 182.52 1cf4 h LEU 160 N -0.16 0.47 0.00 0.00 -0.00 -1.88 -2.18 115.31 111.55 1cf4 h LEU 160 Ca -0.26 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.66 1cf4 h LEU 160 Cb 1.87 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.53 1cf4 h LEU 160 CO 0.15 0.11 -1.47 1.07 -0.00 0.00 0.00 178.44 178.29 1cf4 n THR 161 N -4.62 0.15 -2.09 0.15 5.66 -1.25 -4.77 114.28 107.51 1cf4 n THR 161 Ca 0.24 -0.25 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 1cf4 n THR 161 Cb 0.83 0.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.65 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 -1.95 -0.70 -0.65 1.09 3.00 0.41 -4.95 117.38 113.63 1cf4 n GLN 162 Ca -0.05 0.42 -0.01 0.00 -0.01 0.00 0.00 57.00 57.36 1cf4 n GLN 162 Cb 0.38 -2.99 0.23 0.00 0.00 0.00 0.00 30.24 27.86 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1cf4 n LYS 163 N -1.91 3.13 0.00 -1.09 0.00 0.85 -4.65 118.16 114.49 1cf4 n LYS 163 Ca -0.02 -2.05 0.00 0.00 0.00 0.00 0.00 58.31 56.24 1cf4 n LYS 163 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 35.03 33.61 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cf4 n GLY 164 N 0.16 0.49 0.32 3.14 0.00 -1.26 -4.37 105.19 103.65 1cf4 n GLY 164 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1cf4 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cf4 h LEU 165 N 0.00 0.41 -0.72 0.99 3.38 -1.82 0.31 115.31 117.86 1cf4 h LEU 165 Ca 0.00 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1cf4 h LEU 165 Cb 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1cf4 h LEU 165 CO 0.00 0.06 -0.48 0.07 0.09 0.00 0.00 178.44 178.18 1cf4 h LYS 166 N 0.47 0.39 0.00 1.13 5.09 -1.96 -2.71 116.57 118.99 1cf4 h LYS 166 Ca 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 60.65 61.08 1cf4 h LYS 166 Cb 1.00 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.34 1cf4 h LYS 166 CO -0.49 0.79 0.00 -1.71 -2.09 0.00 0.00 179.45 175.95 1cf4 n ASN 167 N -3.98 0.00 -0.22 7.07 4.05 0.10 0.16 115.26 122.44 1cf4 n ASN 167 Ca -0.02 0.89 0.02 0.00 0.45 0.00 0.00 54.58 55.93 1cf4 n ASN 167 Cb 0.54 -0.39 0.13 0.00 1.23 0.00 0.00 39.78 41.29 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 0.54 -0.24 3.44 3.04 -1.57 0.20 116.25 121.67 1cf4 h VAL 168 Ca 0.00 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.56 1cf4 h VAL 168 Cb 0.00 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.58 1cf4 h VAL 168 CO 0.00 0.04 -0.09 0.15 -1.01 0.00 0.00 177.57 176.65 1cf4 h PHE 169 N 0.21 0.41 -0.55 3.17 3.57 -1.46 -1.53 116.94 120.75 1cf4 h PHE 169 Ca 0.35 -0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.90 1cf4 h PHE 169 Cb 0.57 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1cf4 h PHE 169 CO -0.29 0.48 0.37 -0.44 -2.23 0.00 0.00 178.31 176.20 1cf4 h ASP 170 N 0.37 0.29 0.25 0.41 5.19 0.48 0.36 116.42 123.75 1cf4 h ASP 170 Ca 0.07 0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.27 1cf4 h ASP 170 Cb 0.40 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1cf4 h ASP 170 CO 0.02 0.17 -0.87 -0.33 -3.12 0.00 0.00 179.24 175.11 1cf4 h GLU 171 N 0.32 0.46 -0.36 3.56 4.39 -0.89 0.29 114.58 122.35 1cf4 h GLU 171 Ca 0.26 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1cf4 h GLU 171 Cb 0.59 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1cf4 h GLU 171 CO -0.06 1.10 -0.08 0.00 -1.16 0.00 0.00 179.01 178.81 1cf4 h ALA 172 N 0.76 0.49 0.05 3.43 0.00 -0.32 -2.24 119.26 121.43 1cf4 h ALA 172 Ca -0.07 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.32 1cf4 h ALA 172 Cb 1.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1cf4 h ALA 172 CO 0.15 0.34 -1.03 -0.84 0.00 0.00 0.00 179.25 177.87 1cf4 h ILE 173 N 0.48 1.54 -0.66 0.00 -0.00 -0.49 -3.28 117.51 115.11 1cf4 h ILE 173 Ca 0.09 -2.93 0.02 0.00 -0.00 0.00 0.00 64.86 62.04 1cf4 h ILE 173 Cb 0.58 2.71 -0.04 0.00 -0.00 0.00 0.00 36.82 40.07 1cf4 h ILE 173 CO 0.03 0.85 0.42 0.25 -0.00 0.00 0.00 178.15 179.71 1cf4 h LEU 174 N 0.08 0.70 -2.12 0.16 5.85 -0.36 -0.75 115.31 118.88 1cf4 h LEU 174 Ca -0.07 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1cf4 h LEU 174 Cb 1.73 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 1cf4 h LEU 174 CO 0.16 0.50 0.31 0.00 -0.34 0.00 0.00 178.44 179.06 1cf4 h ALA 175 N 1.27 1.54 0.11 1.25 0.00 -1.46 0.26 119.26 122.23 1cf4 h ALA 175 Ca 0.26 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.83 1cf4 h ALA 175 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1cf4 h ALA 175 CO -0.09 -0.37 -1.76 0.00 0.00 0.00 0.00 179.25 177.03 1cf4 h ALA 176 N 1.49 0.39 0.00 0.00 0.00 -1.29 -3.35 119.26 116.50 1cf4 h ALA 176 Ca 0.05 -1.27 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 1cf4 h ALA 176 Cb 0.67 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1cf4 h ALA 176 CO -0.00 1.25 -0.35 -0.07 0.00 0.00 0.00 179.25 180.08 1cf4 h LEU 177 N 0.07 0.00 -7.00 0.00 3.38 -0.61 -3.44 115.31 107.70 1cf4 h LEU 177 Ca -0.33 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.71 1cf4 h LEU 177 Cb 2.04 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 42.53 1cf4 h LEU 177 CO 0.13 0.35 0.42 -0.70 0.09 0.00 0.00 178.44 178.73 1cf4 s GLU 178 N -3.97 0.47 -0.21 1.13 -6.30 -0.62 -4.93 118.70 104.27 1cf4 s GLU 178 Ca -0.02 0.64 -0.31 0.00 -2.50 0.00 0.00 54.97 52.79 1cf4 s GLU 178 Cb 0.13 0.19 -0.08 0.00 0.00 0.00 0.00 34.13 34.38 1cf4 s GLU 178 CO 0.69 -0.07 2.16 -2.30 0.02 0.00 0.00 175.26 175.76 1cf4 n PRO 179 N 2.72 1.86 -1.66 4.30 -0.02 -1.26 -4.27 135.00 136.68 1cf4 n PRO 179 Ca -0.14 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1cf4 n PRO 179 Cb 0.56 -2.97 0.06 0.00 -0.02 0.00 0.00 33.50 31.12 1cf4 n PRO 179 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1cf4 s PRO 180 N 5.92 2.78 0.02 0.52 0.04 -1.26 -5.09 135.00 137.93 1cf4 s PRO 180 Ca 1.01 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1cf4 s PRO 180 Cb -0.50 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1cf4 s PRO 180 CO 0.41 -1.16 -0.12 -1.21 0.04 0.00 0.00 177.00 174.96 1cf4 s GLU 181 N -5.15 0.86 0.00 4.56 8.01 -1.26 -5.15 118.70 120.57 1cf4 s GLU 181 Ca 0.58 -0.60 0.00 0.00 0.01 0.00 0.00 54.97 54.96 1cf4 s GLU 181 Cb -0.13 -0.83 0.00 0.00 -4.31 0.00 0.00 34.13 28.85 1cf4 s GLU 181 CO 0.54 0.21 0.00 -0.35 0.01 0.00 0.00 175.26 175.67 1cf4 n PRO 182 N 2.23 0.31 -2.14 0.39 -0.04 -1.26 -4.86 135.00 129.63 1cf4 n PRO 182 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1cf4 n PRO 182 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.96 1cf4 n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cf4 s LYS 183 N -1.54 2.71 0.00 0.54 -0.14 -1.26 -5.30 119.74 114.76 1cf4 s LYS 183 Ca 0.00 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.62 1cf4 s LYS 183 Cb 0.00 -5.23 0.00 0.00 -1.68 0.00 0.00 37.83 30.92 1cf4 s LYS 183 CO 0.00 -3.56 0.06 1.63 -0.76 0.00 0.00 175.35 172.72