#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 s GLN 2 N 0.00 0.45 0.64 2.12 -2.07 -1.26 -5.02 119.66 114.53 1cf4 s GLN 2 Ca 0.00 0.82 0.05 0.00 -1.82 0.00 0.00 55.36 54.41 1cf4 s GLN 2 Cb 0.00 0.08 0.11 0.00 -1.09 0.00 0.00 33.01 32.11 1cf4 s GLN 2 CO 0.00 -0.58 0.89 -0.08 -1.32 0.00 0.00 175.29 174.20 1cf4 s THR 3 N 2.70 2.13 0.04 3.63 -1.32 -1.26 -4.87 115.64 116.69 1cf4 s THR 3 Ca 0.14 -0.82 -0.27 0.00 -1.21 0.00 0.00 61.69 59.53 1cf4 s THR 3 Cb -0.15 -2.31 0.09 0.00 -1.51 0.00 0.00 72.50 68.62 1cf4 s THR 3 CO -0.18 0.00 0.81 0.27 -2.21 0.00 0.00 174.62 173.31 1cf4 s ILE 4 N -2.89 0.00 -0.08 5.08 -5.25 -1.26 -4.79 121.20 112.01 1cf4 s ILE 4 Ca 0.64 0.00 0.01 0.00 -0.99 0.00 0.00 60.65 60.31 1cf4 s ILE 4 Cb -0.05 -1.00 -0.03 0.00 2.95 0.00 0.00 42.46 44.33 1cf4 s ILE 4 CO 0.41 0.00 -0.09 -0.54 -1.79 0.00 0.00 174.94 172.93 1cf4 s LYS 5 N -3.28 2.88 0.02 0.37 1.02 -1.26 -4.54 119.74 114.95 1cf4 s LYS 5 Ca 0.04 -0.60 0.08 0.00 0.02 0.00 0.00 55.97 55.51 1cf4 s LYS 5 Cb -0.01 -2.58 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1cf4 s LYS 5 CO -0.10 0.55 -0.24 0.00 -0.92 0.00 0.00 175.35 174.63 1cf4 s VAL 7 N -0.72 0.42 0.33 0.00 1.01 -1.26 -3.08 120.40 117.11 1cf4 s VAL 7 Ca 0.10 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 1cf4 s VAL 7 Cb -0.09 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1cf4 s VAL 7 CO 0.01 0.26 0.77 0.54 0.00 0.00 0.00 175.10 176.69 1cf4 s VAL 8 N 1.89 4.62 -0.06 2.92 0.11 -1.26 -2.78 120.40 125.83 1cf4 s VAL 8 Ca 0.04 1.07 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1cf4 s VAL 8 Cb -0.12 -3.63 0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1cf4 s VAL 8 CO -0.05 -0.18 0.14 0.68 -3.33 0.00 0.00 175.10 172.36 1cf4 s VAL 9 N -1.98 -0.05 -0.04 2.04 -7.23 0.33 -4.88 120.40 108.59 1cf4 s VAL 9 Ca 0.55 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1cf4 s VAL 9 Cb -0.11 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.60 1cf4 s VAL 9 CO 0.17 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 1cf4 n GLY 10 N 4.19 0.21 0.56 2.32 0.00 -1.26 -4.16 105.19 107.04 1cf4 n GLY 10 Ca -0.26 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 1.71 -4.64 1.61 8.00 -1.26 -5.05 116.55 116.91 1cf4 n ASP 11 Ca 0.00 -3.40 -0.29 0.00 0.71 0.00 0.00 54.79 51.81 1cf4 n ASP 11 Cb 0.00 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1cf4 s GLY 12 N -2.90 2.59 0.00 0.44 0.00 -1.26 -4.99 107.32 101.19 1cf4 s GLY 12 Ca 0.34 -1.98 0.18 0.00 0.00 0.00 0.00 44.72 43.26 1cf4 s GLY 12 CO -0.05 -2.11 0.62 0.00 0.00 0.00 0.00 173.10 171.56 1cf4 n ALA 13 N -1.02 2.03 -1.50 3.20 0.00 -1.26 -4.89 120.51 117.07 1cf4 n ALA 13 Ca -0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 1cf4 n ALA 13 Cb 0.67 -0.78 -0.18 0.00 0.00 0.00 0.00 19.45 19.16 1cf4 n ALA 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1cf4 n VAL 14 N -2.74 -0.00 0.00 0.00 3.14 -1.26 -4.20 118.33 113.27 1cf4 n VAL 14 Ca -0.13 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1cf4 n VAL 14 Cb 0.84 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1cf4 n GLY 15 N 6.00 1.17 0.13 7.55 0.00 -1.26 -4.60 105.19 114.18 1cf4 n GLY 15 Ca 0.65 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 46.53 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 0.64 -0.11 1.61 2.85 -1.26 -4.67 118.16 117.21 1cf4 n LYS 16 Ca 0.00 0.23 -0.20 0.00 -1.05 0.00 0.00 58.31 57.29 1cf4 n LYS 16 Cb 0.00 -1.55 -0.08 0.00 -0.65 0.00 0.00 35.03 32.75 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 -3.68 1.51 -0.01 0.58 -2.24 -1.26 -4.20 114.28 104.98 1cf4 n THR 17 Ca -0.46 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1cf4 n THR 17 Cb 0.94 -2.09 -0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.00 -0.23 0.25 0.00 4.07 -1.83 -2.77 115.31 114.79 1cf4 h LEU 19 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1cf4 h LEU 19 Cb 0.01 0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1cf4 h LEU 19 CO -0.02 -0.15 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.00 1cf4 h LEU 20 N -0.24 -0.28 -0.85 1.67 -0.00 -1.65 -1.31 115.31 112.64 1cf4 h LEU 20 Ca -0.02 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.99 1cf4 h LEU 20 Cb 0.19 0.07 -0.14 0.00 -0.00 0.00 0.00 40.66 40.79 1cf4 h LEU 20 CO 0.03 -0.19 -0.35 0.00 -0.00 0.00 0.00 178.44 177.93 1cf4 n ILE 21 N -2.93 -0.46 0.17 1.22 0.13 0.51 0.16 119.36 118.17 1cf4 n ILE 21 Ca -0.04 2.01 0.02 0.00 -1.10 0.00 0.00 62.75 63.63 1cf4 n ILE 21 Cb 0.13 -2.64 0.33 0.00 -0.84 0.00 0.00 39.64 36.63 1cf4 n ILE 21 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1cf4 h SER 22 N 0.00 0.02 -0.93 9.51 4.64 -1.38 0.86 113.55 126.27 1cf4 h SER 22 Ca 0.29 -0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.74 1cf4 h SER 22 Cb 0.50 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.51 1cf4 h SER 22 CO -0.84 0.41 0.59 0.22 -0.87 0.00 0.00 176.83 176.34 1cf4 h TYR 23 N 0.02 0.90 0.00 4.77 3.20 0.28 0.61 116.97 126.75 1cf4 h TYR 23 Ca -0.00 0.03 -0.36 0.00 3.14 0.00 0.00 58.73 61.53 1cf4 h TYR 23 Cb 0.70 -0.28 -0.07 0.00 1.54 0.00 0.00 36.73 38.62 1cf4 h TYR 23 CO 0.00 0.32 -2.37 0.25 -1.64 0.00 0.00 178.16 174.72 1cf4 n THR 24 N -4.59 1.37 -3.47 1.81 -2.24 -0.91 -4.77 114.28 101.49 1cf4 n THR 24 Ca 0.18 -0.79 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 1cf4 n THR 24 Cb 0.47 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1cf4 n THR 24 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1cf4 n THR 25 N -2.82 -0.76 -1.84 4.28 5.66 0.29 -5.05 114.28 114.05 1cf4 n THR 25 Ca -0.34 -3.66 -0.25 0.00 -3.05 0.00 0.00 64.05 56.74 1cf4 n THR 25 Cb 1.12 -1.74 -0.08 0.00 -1.55 0.00 0.00 70.33 68.07 1cf4 n THR 25 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1cf4 n ASN 26 N 2.67 2.47 -4.32 1.09 5.03 0.17 -3.80 115.26 118.57 1cf4 n ASN 26 Ca 0.28 -2.63 -0.45 0.00 0.87 0.00 0.00 54.58 52.65 1cf4 n ASN 26 Cb 0.46 -1.68 -0.06 0.00 -1.02 0.00 0.00 39.78 37.48 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 7.04 2.97 -0.24 3.52 -0.14 -1.26 -4.89 119.74 126.74 1cf4 s LYS 27 Ca 0.72 -1.64 -0.16 0.00 -1.36 0.00 0.00 55.97 53.53 1cf4 s LYS 27 Cb -0.01 -4.25 -0.10 0.00 -1.68 0.00 0.00 37.83 31.79 1cf4 s LYS 27 CO 0.16 -1.26 -0.33 0.34 -0.76 0.00 0.00 175.35 173.50 1cf4 n PHE 28 N 5.23 0.07 -2.27 3.18 -0.00 -1.26 -4.72 117.46 117.69 1cf4 n PHE 28 Ca -0.13 0.03 -0.42 0.00 -0.00 0.00 0.00 57.45 56.92 1cf4 n PHE 28 Cb 0.41 -0.83 0.00 0.00 -0.00 0.00 0.00 39.48 39.06 1cf4 n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1cf4 n PRO 29 N -4.34 3.56 0.00 -7.13 -0.04 -1.26 -4.61 135.00 121.18 1cf4 n PRO 29 Ca -0.39 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 59.63 1cf4 n PRO 29 Cb 0.74 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 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 4.04 0.00 -3.45 3.54 7.64 -1.26 -5.18 113.62 118.95 1cf4 n SER 30 Ca 0.41 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.16 1cf4 n SER 30 Cb 0.36 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.27 1.24 -0.31 1.43 -1.05 -1.26 -5.14 118.70 113.88 1cf4 s GLU 31 Ca 0.00 -0.39 -0.01 0.00 -0.15 0.00 0.00 54.97 54.42 1cf4 s GLU 31 Cb 0.00 0.57 0.10 0.00 -0.44 0.00 0.00 34.13 34.36 1cf4 s GLU 31 CO 0.00 -0.52 0.10 0.71 0.95 0.00 0.00 175.26 176.50 1cf4 s TYR 32 N -3.40 1.52 0.29 4.83 1.51 -1.26 -4.91 117.35 115.91 1cf4 s TYR 32 Ca -0.01 -1.62 0.00 0.00 -1.01 0.00 0.00 57.07 54.44 1cf4 s TYR 32 Cb -0.01 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 1cf4 s TYR 32 CO -0.10 -0.87 0.00 0.28 -1.11 0.00 0.00 175.55 173.75 1cf4 n VAL 33 N 4.90 0.00 -0.56 0.71 0.31 -1.26 -4.94 118.33 117.49 1cf4 n VAL 33 Ca -0.03 0.00 0.42 0.00 -0.01 0.00 0.00 64.34 64.73 1cf4 n VAL 33 Cb 0.42 0.00 0.65 0.00 -0.91 0.00 0.00 33.84 34.00 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 -3.07 0.00 -0.85 5.55 -0.01 -1.26 -3.60 135.00 131.76 1cf4 n PRO 34 Ca 0.00 0.87 -0.42 0.00 -0.01 0.00 0.00 63.50 63.95 1cf4 n PRO 34 Cb 0.00 -2.03 -0.10 0.00 -0.01 0.00 0.00 33.50 31.37 1cf4 n PRO 34 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1cf4 n THR 35 N -3.51 0.67 -0.33 3.45 -1.04 -1.26 -4.00 114.28 108.26 1cf4 n THR 35 Ca 0.35 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1cf4 n THR 35 Cb 1.62 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 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 6.85 0.00 -1.20 12.58 3.14 -1.24 -4.81 118.33 133.66 1cf4 n VAL 36 Ca 0.47 -0.24 -0.18 0.00 -2.96 0.00 0.00 64.34 61.44 1cf4 n VAL 36 Cb 0.42 1.33 -0.13 0.00 -1.06 0.00 0.00 33.84 34.40 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 -0.18 0.64 0.32 1.45 3.72 -1.26 -4.56 117.46 117.59 1cf4 n PHE 37 Ca 0.00 -1.68 0.20 0.00 -0.05 0.00 0.00 57.45 55.92 1cf4 n PHE 37 Cb 0.08 -1.52 1.09 0.00 -0.94 0.00 0.00 39.48 38.20 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1cf4 h ASP 38 N 3.01 0.00 0.40 4.37 3.32 -1.88 0.17 116.42 125.80 1cf4 h ASP 38 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1cf4 h ASP 38 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1cf4 h ASP 38 CO 0.49 0.00 -0.22 0.59 -1.72 0.00 0.00 179.24 178.38 1cf4 n ASN 39 N -3.26 0.61 -4.69 6.45 4.13 -1.26 -4.17 115.26 113.07 1cf4 n ASN 39 Ca -0.03 -0.53 -0.33 0.00 1.68 0.00 0.00 54.58 55.38 1cf4 n ASN 39 Cb 0.13 0.01 0.14 0.00 -1.54 0.00 0.00 39.78 38.52 1cf4 n ASN 39 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1cf4 s TYR 40 N -2.62 1.78 0.51 3.10 1.13 0.58 -4.97 117.35 116.85 1cf4 s TYR 40 Ca 0.23 1.70 0.07 0.00 -1.41 0.00 0.00 57.07 57.66 1cf4 s TYR 40 Cb 0.19 -3.43 0.02 0.00 -1.10 0.00 0.00 41.96 37.64 1cf4 s TYR 40 CO 0.53 -2.80 0.43 0.00 -2.51 0.00 0.00 175.55 171.20 1cf4 s ALA 41 N -2.31 4.32 -0.04 9.51 0.00 -1.26 -4.40 121.76 127.57 1cf4 s ALA 41 Ca 0.71 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1cf4 s ALA 41 Cb -0.27 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.01 1cf4 s ALA 41 CO 0.53 -0.42 0.07 0.14 0.00 0.00 0.00 175.76 176.08 1cf4 s VAL 42 N -2.67 -0.12 -0.57 0.00 -7.23 -1.26 -5.04 120.40 103.51 1cf4 s VAL 42 Ca 0.42 0.38 -0.24 0.00 -1.81 0.00 0.00 61.98 60.73 1cf4 s VAL 42 Cb -0.03 -0.16 0.05 0.00 0.56 0.00 0.00 36.38 36.80 1cf4 s VAL 42 CO 0.25 0.16 0.96 0.28 -0.31 0.00 0.00 175.10 176.44 1cf4 s THR 43 N 2.00 4.35 0.29 5.32 -1.32 -1.26 -4.60 115.64 120.42 1cf4 s THR 43 Ca 0.02 0.20 -0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1cf4 s THR 43 Cb -0.12 -4.58 0.04 0.00 -1.51 0.00 0.00 72.50 66.33 1cf4 s THR 43 CO -0.03 -1.20 0.55 1.33 -2.21 0.00 0.00 174.62 173.06 1cf4 n VAL 44 N 6.17 0.00 -3.99 5.08 0.24 -1.26 -5.11 118.33 119.45 1cf4 n VAL 44 Ca 0.01 -0.83 -0.31 0.00 -2.04 0.00 0.00 64.34 61.17 1cf4 n VAL 44 Cb 0.47 0.74 -0.15 0.00 -1.47 0.00 0.00 33.84 33.44 1cf4 n VAL 44 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1cf4 s MET 45 N -2.15 1.43 -1.09 7.34 1.75 -1.26 -3.42 119.30 121.91 1cf4 s MET 45 Ca 0.13 -1.84 -0.22 0.00 -1.25 0.00 0.00 55.69 52.51 1cf4 s MET 45 Cb -0.03 -3.11 0.01 0.00 2.84 0.00 0.00 34.83 34.54 1cf4 s MET 45 CO 0.10 -0.95 1.72 0.42 -0.65 0.00 0.00 175.02 175.65 1cf4 s ILE 46 N 0.91 3.80 0.00 10.11 1.01 -1.25 -4.66 121.20 131.11 1cf4 s ILE 46 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1cf4 s ILE 46 Cb -0.19 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.51 1cf4 s ILE 46 CO -0.09 -1.57 0.00 0.61 0.00 0.00 0.00 174.94 173.89 1cf4 n GLY 47 N 6.35 0.00 0.00 6.18 0.00 -1.26 -4.17 105.19 112.29 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 1.31 1.12 2.91 -0.02 0.00 -1.26 -3.38 105.19 105.87 1cf4 n GLY 48 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 1cf4 n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cf4 s GLU 49 N 0.00 0.28 -0.79 1.61 -1.05 -1.26 -4.97 118.70 112.53 1cf4 s GLU 49 Ca 0.00 -0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.56 1cf4 s GLU 49 Cb 0.00 -0.30 -0.21 0.00 -0.44 0.00 0.00 34.13 33.18 1cf4 s GLU 49 CO 0.00 0.04 1.94 -2.30 0.95 0.00 0.00 175.26 175.90 1cf4 n PRO 50 N 3.16 0.00 -3.15 -4.83 -0.02 -1.26 -4.52 135.00 124.39 1cf4 n PRO 50 Ca -0.15 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.39 1cf4 n PRO 50 Cb 0.58 -1.01 -0.01 0.00 -0.02 0.00 0.00 33.50 33.03 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1cf4 s TYR 51 N 4.07 -0.61 0.15 6.00 6.14 -1.22 -5.02 117.35 126.86 1cf4 s TYR 51 Ca 1.06 0.50 0.09 0.00 0.64 0.00 0.00 57.07 59.35 1cf4 s TYR 51 Cb -0.86 0.16 -0.04 0.00 0.42 0.00 0.00 41.96 41.64 1cf4 s TYR 51 CO 0.41 -0.34 -0.20 0.99 0.64 0.00 0.00 175.55 177.05 1cf4 s THR 52 N 2.95 1.90 0.01 4.34 2.01 -1.26 -3.96 115.64 121.62 1cf4 s THR 52 Ca 0.12 -1.84 -0.01 0.00 0.31 0.00 0.00 61.69 60.27 1cf4 s THR 52 Cb -0.07 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1cf4 s THR 52 CO -0.17 -0.21 0.13 -0.22 -0.69 0.00 0.00 174.62 173.46 1cf4 s LEU 53 N -2.47 4.08 0.00 4.42 2.96 -1.26 -4.84 118.68 121.57 1cf4 s LEU 53 Ca 0.14 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1cf4 s LEU 53 Cb -0.07 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1cf4 s LEU 53 CO 0.07 0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 1cf4 n GLY 54 N 0.92 -1.01 3.05 7.98 0.00 -1.26 -4.82 105.19 110.06 1cf4 n GLY 54 Ca -0.11 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 2.65 -0.56 0.99 2.01 -1.26 -4.38 118.68 118.13 1cf4 s LEU 55 Ca 0.00 -1.02 -0.25 0.00 0.01 0.00 0.00 54.13 52.87 1cf4 s LEU 55 Cb 0.00 -1.40 0.04 0.00 0.01 0.00 0.00 46.19 44.84 1cf4 s LEU 55 CO 0.00 -0.13 1.03 0.12 1.01 0.00 0.00 176.35 178.38 1cf4 s PHE 56 N 1.27 2.72 0.22 0.29 5.36 -1.18 -4.46 117.98 122.21 1cf4 s PHE 56 Ca -0.03 0.11 0.05 0.00 -0.96 0.00 0.00 56.93 56.10 1cf4 s PHE 56 Cb -0.17 -4.23 -0.02 0.00 -0.34 0.00 0.00 43.02 38.27 1cf4 s PHE 56 CO -0.08 -1.44 0.17 -0.25 -1.46 0.00 0.00 175.22 172.16 1cf4 n ASP 57 N 7.81 -0.23 -4.22 6.13 8.00 -1.26 -4.16 116.55 128.62 1cf4 n ASP 57 Ca 0.04 -2.43 -0.25 0.00 0.71 0.00 0.00 54.79 52.86 1cf4 n ASP 57 Cb 0.48 1.03 -0.14 0.00 -0.02 0.00 0.00 41.12 42.47 1cf4 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1cf4 s THR 58 N -2.83 1.53 -0.29 -3.53 -1.32 -1.26 -4.84 115.64 103.10 1cf4 s THR 58 Ca 0.24 -1.04 -0.00 0.00 -1.21 0.00 0.00 61.69 59.68 1cf4 s THR 58 Cb 0.01 -1.32 0.14 0.00 -1.51 0.00 0.00 72.50 69.82 1cf4 s THR 58 CO 0.17 0.25 0.31 0.00 -2.21 0.00 0.00 174.62 173.14 1cf4 s ALA 59 N -0.68 -0.56 -1.23 11.08 0.00 -1.26 -5.04 121.76 124.07 1cf4 s ALA 59 Ca 0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 1cf4 s ALA 59 Cb -0.08 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1cf4 s ALA 59 CO 0.01 -1.69 1.81 0.20 0.00 0.00 0.00 175.76 176.09 1cf4 s GLY 60 N 2.39 1.00 0.00 0.00 0.00 -1.26 -4.40 107.32 105.04 1cf4 s GLY 60 Ca 0.09 -2.54 0.00 0.00 0.00 0.00 0.00 44.72 42.27 1cf4 s GLY 60 CO -0.31 3.08 0.00 1.04 0.00 0.00 0.00 173.10 176.90 1cf4 n LEU 61 N 10.96 0.00 -0.09 0.66 7.99 -1.26 -5.03 117.00 130.23 1cf4 n LEU 61 Ca 0.46 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.36 1cf4 n LEU 61 Cb 0.46 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.62 1cf4 n LEU 61 CO 0.72 0.00 -1.07 -0.62 -1.51 0.00 0.00 177.39 174.91 1cf4 n GLU 62 N 0.00 0.68 0.30 3.23 -0.58 -1.26 -4.59 120.64 118.42 1cf4 n GLU 62 Ca 0.00 0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 1cf4 n GLU 62 Cb 0.00 -1.56 -0.06 0.00 -0.57 0.00 0.00 31.44 29.25 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1cf4 h ASP 63 N 0.00 -0.66 -3.51 1.62 1.82 -1.95 -3.44 116.42 110.30 1cf4 h ASP 63 Ca -0.51 0.02 -0.53 0.00 -0.39 0.00 0.00 57.03 55.62 1cf4 h ASP 63 Cb 2.20 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 42.35 1cf4 h ASP 63 CO 0.03 -0.41 0.02 -0.31 -1.61 0.00 0.00 179.24 176.96 1cf4 s TYR 64 N -4.42 3.56 -0.02 0.28 2.02 -1.26 -5.04 117.35 112.47 1cf4 s TYR 64 Ca -0.11 1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 57.78 1cf4 s TYR 64 Cb 0.01 -2.49 -0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1cf4 s TYR 64 CO 0.34 0.31 -0.01 -0.44 -1.57 0.00 0.00 175.55 174.17 1cf4 h ASP 65 N 3.13 0.00 0.00 2.29 5.19 -1.88 -3.36 116.42 121.79 1cf4 h ASP 65 Ca -0.48 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.50 1cf4 h ASP 65 Cb 1.19 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.63 1cf4 h ASP 65 CO 0.66 0.08 -2.37 -2.11 -3.12 0.00 0.00 179.24 172.38 1cf4 n ARG 66 N -2.48 0.59 -1.85 3.56 -4.01 -1.26 -4.91 116.66 106.28 1cf4 n ARG 66 Ca -0.01 0.29 0.00 0.00 -1.04 0.00 0.00 57.85 57.10 1cf4 n ARG 66 Cb 0.02 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 27.93 1cf4 n ARG 66 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1cf4 n LEU 67 N -4.28 -5.30 -2.73 2.89 4.77 -1.26 -4.91 117.00 106.19 1cf4 n LEU 67 Ca -0.51 2.32 -0.04 0.00 -0.03 0.00 0.00 56.01 57.75 1cf4 n LEU 67 Cb 0.85 -2.67 0.08 0.00 -2.33 0.00 0.00 43.42 39.36 1cf4 n LEU 67 CO 0.05 -1.77 0.24 -1.14 -1.33 0.00 0.00 177.39 173.44 1cf4 n ARG 68 N 1.41 1.41 0.05 3.23 0.63 -1.26 -4.95 116.66 117.18 1cf4 n ARG 68 Ca 0.00 -2.51 -0.22 0.00 -0.92 0.00 0.00 57.85 54.20 1cf4 n ARG 68 Cb 0.00 -0.68 -0.15 0.00 0.45 0.00 0.00 32.46 32.08 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1cf4 h PRO 69 N 2.14 0.33 0.00 -0.14 0.13 -1.96 -3.31 132.00 129.19 1cf4 h PRO 69 Ca -0.24 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1cf4 h PRO 69 Cb 1.26 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1cf4 h PRO 69 CO 0.10 1.27 0.00 1.37 -0.23 0.00 0.00 178.00 180.51 1cf4 h LEU 70 N -0.21 0.00 -0.48 1.56 8.10 -1.95 -3.04 115.31 119.30 1cf4 h LEU 70 Ca -0.25 0.00 0.08 0.00 0.11 0.00 0.00 57.88 57.82 1cf4 h LEU 70 Cb 1.83 0.00 -0.10 0.00 -0.44 0.00 0.00 40.66 41.95 1cf4 h LEU 70 CO 0.14 0.00 -0.41 0.77 -4.11 0.00 0.00 178.44 174.82 1cf4 h SER 71 N 0.00 -1.40 -0.31 0.17 4.64 -1.96 -3.37 113.55 111.32 1cf4 h SER 71 Ca 0.00 0.23 -0.27 0.00 -0.47 0.00 0.00 61.79 61.27 1cf4 h SER 71 Cb 0.13 0.63 -0.18 0.00 -0.31 0.00 0.00 62.40 62.66 1cf4 h SER 71 CO 0.00 -0.35 -0.57 0.00 -0.87 0.00 0.00 176.83 175.04 1cf4 n TYR 72 N -5.41 -2.66 -1.24 4.77 4.11 -1.19 -4.94 117.16 110.59 1cf4 n TYR 72 Ca 0.01 -2.20 -0.34 0.00 -0.00 0.00 0.00 57.90 55.36 1cf4 n TYR 72 Cb 0.35 1.29 0.11 0.00 -0.00 0.00 0.00 39.34 41.10 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 1.02 0.38 -0.37 -3.48 -0.02 -1.15 -4.93 135.00 126.44 1cf4 n PRO 73 Ca 0.10 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 1cf4 n PRO 73 Cb 0.65 -2.44 0.31 0.00 -0.02 0.00 0.00 33.50 32.00 1cf4 n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1cf4 n GLN 74 N -2.90 2.67 -0.70 -0.52 1.13 -1.26 -4.94 117.38 110.85 1cf4 n GLN 74 Ca 0.14 -2.50 -0.32 0.00 -1.94 0.00 0.00 57.00 52.38 1cf4 n GLN 74 Cb 0.50 -1.56 0.16 0.00 0.11 0.00 0.00 30.24 29.45 1cf4 n GLN 74 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1cf4 n THR 75 N 1.49 0.00 -0.00 5.09 -1.04 -1.26 -4.94 114.28 113.62 1cf4 n THR 75 Ca 0.23 -0.13 0.08 0.00 -2.04 0.00 0.00 64.05 62.19 1cf4 n THR 75 Cb 0.60 -0.84 0.18 0.00 -1.82 0.00 0.00 70.33 68.45 1cf4 n THR 75 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1cf4 n ASP 76 N -3.08 3.05 -3.24 8.00 8.00 -1.26 -4.81 116.55 123.21 1cf4 n ASP 76 Ca 0.09 -1.91 -0.03 0.00 0.71 0.00 0.00 54.79 53.65 1cf4 n ASP 76 Cb 0.53 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cf4 s VAL 77 N -1.09 -0.83 0.69 2.53 0.11 -1.26 -4.26 120.40 116.29 1cf4 s VAL 77 Ca 0.29 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 1cf4 s VAL 77 Cb 0.16 -0.31 0.16 0.00 -1.53 0.00 0.00 36.38 34.86 1cf4 s VAL 77 CO 0.22 -0.14 0.94 0.49 -3.33 0.00 0.00 175.10 173.28 1cf4 n PHE 78 N 4.54 -3.93 -3.50 1.54 3.01 0.36 -4.30 117.46 115.18 1cf4 n PHE 78 Ca 0.10 -0.88 -0.11 0.00 1.01 0.00 0.00 57.45 57.57 1cf4 n PHE 78 Cb 0.54 -0.72 -0.10 0.00 -0.01 0.00 0.00 39.48 39.18 1cf4 n PHE 78 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1cf4 s LEU 79 N 0.00 -0.50 0.20 4.37 0.20 -1.12 -2.43 118.68 119.40 1cf4 s LEU 79 Ca 0.54 0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.79 1cf4 s LEU 79 Cb -0.02 0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 46.70 1cf4 s LEU 79 CO 0.38 -0.28 0.35 -0.69 -0.29 0.00 0.00 176.35 175.82 1cf4 s VAL 80 N 2.51 5.26 0.02 1.68 1.01 0.74 -0.51 120.40 131.10 1cf4 s VAL 80 Ca 0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1cf4 s VAL 80 Cb -0.14 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1cf4 s VAL 80 CO -0.13 -0.21 0.38 0.00 0.00 0.00 0.00 175.10 175.14 1cf4 s PHE 82 N -2.07 -0.65 0.18 0.00 -0.12 -1.26 -4.40 117.98 109.65 1cf4 s PHE 82 Ca -0.08 1.40 -0.22 0.00 -0.05 0.00 0.00 56.93 57.98 1cf4 s PHE 82 Cb -0.02 0.40 -0.08 0.00 -0.63 0.00 0.00 43.02 42.69 1cf4 s PHE 82 CO 0.00 -0.32 0.73 -1.54 -0.05 0.00 0.00 175.22 174.04 1cf4 s SER 83 N 0.94 7.22 0.19 1.98 1.04 -1.26 -4.84 113.70 118.96 1cf4 s SER 83 Ca -0.04 1.51 -0.22 0.00 0.48 0.00 0.00 55.95 57.68 1cf4 s SER 83 Cb -0.04 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.73 1cf4 s SER 83 CO -0.12 0.15 1.57 0.58 0.98 0.00 0.00 173.24 176.41 1cf4 h VAL 84 N 3.13 0.11 -1.21 5.02 2.07 -1.89 -3.40 116.25 120.09 1cf4 h VAL 84 Ca -0.48 0.00 -0.72 0.00 0.82 0.00 0.00 66.70 66.32 1cf4 h VAL 84 Cb 1.20 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1cf4 h VAL 84 CO 0.65 0.00 1.11 1.33 0.02 0.00 0.00 177.57 180.69 1cf4 n VAL 85 N -5.43 0.23 -3.70 2.57 0.24 -1.26 -3.41 118.33 107.57 1cf4 n VAL 85 Ca 0.04 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1cf4 n VAL 85 Cb 0.36 -1.26 -0.11 0.00 -1.47 0.00 0.00 33.84 31.36 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cf4 s SER 86 N 5.02 -0.48 -0.49 -1.34 1.04 -1.26 -4.99 113.70 111.19 1cf4 s SER 86 Ca 1.05 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 1cf4 s SER 86 Cb -1.07 0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.86 1cf4 s SER 86 CO 0.61 -0.19 2.75 -0.81 0.98 0.00 0.00 173.24 176.58 1cf4 n PRO 87 N 4.29 2.49 -1.05 4.02 -0.04 -1.26 -4.26 135.00 139.18 1cf4 n PRO 87 Ca -0.23 -2.41 -0.02 0.00 -0.04 0.00 0.00 63.50 60.80 1cf4 n PRO 87 Cb 0.55 -2.16 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 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 0.88 -3.51 -0.05 3.54 2.88 -1.26 -4.20 113.62 111.90 1cf4 n SER 88 Ca 0.49 0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1cf4 n SER 88 Cb 0.54 -1.16 -0.15 0.00 -0.75 0.00 0.00 64.21 62.69 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 0.50 0.23 -0.23 -3.46 2.88 -1.26 -4.26 113.62 108.01 1cf4 n SER 89 Ca -0.02 0.10 0.23 0.00 -1.33 0.00 0.00 58.87 57.86 1cf4 n SER 89 Cb 0.11 0.97 0.59 0.00 -0.75 0.00 0.00 64.21 65.13 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1cf4 h PHE 90 N 0.00 0.36 -0.02 0.66 3.57 -1.90 0.81 116.94 120.43 1cf4 h PHE 90 Ca -0.34 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.14 1cf4 h PHE 90 Cb 1.84 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.47 1cf4 h PHE 90 CO 0.00 0.08 -0.13 0.93 -2.23 0.00 0.00 178.31 176.96 1cf4 h GLU 91 N 0.26 0.12 -0.22 1.11 4.39 -2.00 -2.53 114.58 115.70 1cf4 h GLU 91 Ca 0.48 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 1cf4 h GLU 91 Cb 1.43 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1cf4 h GLU 91 CO -0.13 0.80 -0.16 -0.97 -1.16 0.00 0.00 179.01 177.38 1cf4 h ASN 92 N -0.53 0.53 -0.50 1.42 -1.24 -1.40 -2.68 115.58 111.18 1cf4 h ASN 92 Ca -0.01 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.58 1cf4 h ASN 92 Cb 0.83 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 1cf4 h ASN 92 CO 0.03 0.86 0.30 1.62 -1.29 0.00 0.00 177.43 178.95 1cf4 h VAL 93 N 0.20 1.06 0.71 2.57 3.04 0.46 0.43 116.25 124.72 1cf4 h VAL 93 Ca 0.04 -0.21 -0.03 0.00 -1.01 0.00 0.00 66.70 65.49 1cf4 h VAL 93 Cb 0.69 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1cf4 h VAL 93 CO 0.04 0.11 -0.36 0.11 -1.01 0.00 0.00 177.57 176.46 1cf4 h LYS 94 N 0.60 -0.95 0.00 4.17 1.79 -1.46 1.27 116.57 122.00 1cf4 h LYS 94 Ca 0.20 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1cf4 h LYS 94 Cb 0.01 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1cf4 h LYS 94 CO -0.09 -0.63 0.00 0.93 -1.08 0.00 0.00 179.45 178.58 1cf4 h GLU 95 N -0.98 0.00 0.00 3.15 4.39 -1.38 -1.04 114.58 118.73 1cf4 h GLU 95 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1cf4 h GLU 95 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1cf4 h GLU 95 CO 0.15 0.00 -1.17 1.17 -1.16 0.00 0.00 179.01 178.00 1cf4 n LYS 96 N -2.85 0.54 -0.07 2.33 0.00 0.13 -4.32 118.16 113.93 1cf4 n LYS 96 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 58.31 58.18 1cf4 n LYS 96 Cb 0.11 -1.44 -0.05 0.00 0.00 0.00 0.00 35.03 33.65 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 -0.69 5.64 6.55 0.29 -3.38 115.95 124.37 1cf4 h TRP 97 Ca 0.00 0.00 0.15 0.00 0.95 0.00 0.00 58.89 59.99 1cf4 h TRP 97 Cb 0.57 0.00 -0.11 0.00 -0.86 0.00 0.00 29.16 28.77 1cf4 h TRP 97 CO 0.00 0.40 0.12 0.28 -1.05 0.00 0.00 178.44 178.19 1cf4 h VAL 98 N -1.00 0.52 -0.97 1.49 2.07 -1.71 -1.24 116.25 115.40 1cf4 h VAL 98 Ca -0.05 -0.08 0.30 0.00 0.82 0.00 0.00 66.70 67.70 1cf4 h VAL 98 Cb 0.52 0.28 -0.15 0.00 -1.52 0.00 0.00 31.29 30.41 1cf4 h VAL 98 CO -0.03 0.04 0.48 -0.65 0.02 0.00 0.00 177.57 177.43 1cf4 h PRO 99 N 0.22 0.27 0.04 1.57 0.11 -1.75 0.35 132.00 132.81 1cf4 h PRO 99 Ca 0.38 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 66.25 1cf4 h PRO 99 Cb 0.63 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1cf4 h PRO 99 CO -0.51 0.18 -1.05 1.05 -0.21 0.00 0.00 178.00 177.46 1cf4 h GLU 100 N 0.28 0.10 -0.89 1.05 4.11 -1.41 -1.84 114.58 115.98 1cf4 h GLU 100 Ca 0.69 -0.16 0.13 0.00 0.07 0.00 0.00 59.36 60.09 1cf4 h GLU 100 Cb 1.55 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.78 1cf4 h GLU 100 CO -0.63 1.05 0.51 0.82 0.07 0.00 0.00 179.01 180.83 1cf4 h ILE 101 N 0.03 0.83 0.00 -1.06 2.04 0.13 -1.70 117.51 117.79 1cf4 h ILE 101 Ca -0.05 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1cf4 h ILE 101 Cb 1.79 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1cf4 h ILE 101 CO 0.15 0.14 -1.44 0.35 0.00 0.00 0.00 178.15 177.35 1cf4 n THR 102 N -4.76 0.51 0.17 -0.27 -2.24 -0.99 -3.80 114.28 102.89 1cf4 n THR 102 Ca 0.17 -0.56 0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1cf4 n THR 102 Cb 0.37 -0.28 0.55 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.19 0.00 4.78 6.17 -0.43 -1.73 115.15 124.13 1cf4 h HIS 103 Ca -0.04 0.00 -0.16 0.00 0.71 0.00 0.00 60.37 60.88 1cf4 h HIS 103 Cb 1.12 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.96 1cf4 h HIS 103 CO 0.00 0.13 -1.29 0.45 0.71 0.00 0.00 177.93 177.93 1cf4 h HIS 104 N 0.20 0.00 -3.27 5.26 3.86 -1.59 -3.47 115.15 116.14 1cf4 h HIS 104 Ca 0.05 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 1cf4 h HIS 104 Cb -0.00 0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.19 1cf4 h HIS 104 CO 0.00 0.58 -0.54 0.00 0.86 0.00 0.00 177.93 178.83 1cf4 h PRO 106 N 6.40 0.00 -0.52 0.00 0.13 -1.91 -3.36 132.00 132.74 1cf4 h PRO 106 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1cf4 h PRO 106 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1cf4 h PRO 106 CO 0.41 0.00 -0.26 0.21 -0.23 0.00 0.00 178.00 178.12 1cf4 s LYS 107 N -3.59 0.51 -0.43 0.86 2.20 -1.26 -5.02 119.74 112.99 1cf4 s LYS 107 Ca -0.03 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1cf4 s LYS 107 Cb 0.07 0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.49 1cf4 s LYS 107 CO 0.21 -0.66 0.27 0.99 -0.36 0.00 0.00 175.35 175.80 1cf4 s THR 108 N 1.33 3.92 0.78 3.43 2.01 -1.26 -5.04 115.64 120.82 1cf4 s THR 108 Ca 0.22 -1.73 -0.14 0.00 0.31 0.00 0.00 61.69 60.35 1cf4 s THR 108 Cb 0.05 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 69.09 1cf4 s THR 108 CO -0.10 -0.65 1.22 -2.84 -0.69 0.00 0.00 174.62 171.56 1cf4 s PRO 109 N 1.32 1.76 0.26 4.92 0.02 -1.26 -4.78 135.00 137.24 1cf4 s PRO 109 Ca 0.05 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 62.70 1cf4 s PRO 109 Cb -0.24 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.50 1cf4 s PRO 109 CO -0.01 -2.13 0.59 -0.59 -0.33 0.00 0.00 177.00 174.53 1cf4 s PHE 110 N -2.04 0.06 0.06 6.54 -0.71 -1.24 0.14 117.98 120.78 1cf4 s PHE 110 Ca 0.74 -0.46 0.04 0.00 -1.04 0.00 0.00 56.93 56.21 1cf4 s PHE 110 Cb -0.30 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1cf4 s PHE 110 CO 0.49 -1.10 -0.12 -1.17 -1.34 0.00 0.00 175.22 171.99 1cf4 s LEU 111 N -2.96 2.27 0.29 -1.99 2.96 -1.02 -2.22 118.68 116.01 1cf4 s LEU 111 Ca 0.16 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1cf4 s LEU 111 Cb -0.03 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.26 1cf4 s LEU 111 CO 0.07 -0.13 0.43 -0.76 -1.32 0.00 0.00 176.35 174.63 1cf4 s LEU 112 N -1.70 4.16 0.01 -0.68 2.01 -0.99 -0.19 118.68 121.30 1cf4 s LEU 112 Ca -0.05 0.06 0.01 0.00 0.01 0.00 0.00 54.13 54.17 1cf4 s LEU 112 Cb -0.10 -2.91 -0.01 0.00 0.01 0.00 0.00 46.19 43.18 1cf4 s LEU 112 CO 0.01 -0.22 -0.05 -0.69 1.01 0.00 0.00 176.35 176.41 1cf4 s VAL 113 N -2.10 0.38 -0.27 -1.59 1.01 -1.22 -4.31 120.40 112.30 1cf4 s VAL 113 Ca 0.38 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1cf4 s VAL 113 Cb -0.09 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.99 1cf4 s VAL 113 CO 0.31 -0.11 0.07 -0.83 0.00 0.00 0.00 175.10 174.54 1cf4 s GLY 114 N -0.69 0.91 0.00 4.51 0.00 -1.18 -4.38 107.32 106.50 1cf4 s GLY 114 Ca -0.04 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1cf4 s GLY 114 CO -0.00 1.55 0.32 -1.30 0.00 0.00 0.00 173.10 173.68 1cf4 n THR 115 N 4.94 0.00 1.01 0.90 -2.24 -1.19 -1.18 114.28 116.52 1cf4 n THR 115 Ca -0.05 -0.37 0.10 0.00 -2.27 0.00 0.00 64.05 61.46 1cf4 n THR 115 Cb 0.44 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1cf4 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 n GLN 116 N -0.11 0.37 0.09 -0.78 1.13 -1.26 -4.21 117.38 112.61 1cf4 n GLN 116 Ca 0.00 -0.30 0.20 0.00 -1.94 0.00 0.00 57.00 54.96 1cf4 n GLN 116 Cb 0.05 -1.49 0.64 0.00 0.11 0.00 0.00 30.24 29.55 1cf4 n GLN 116 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 1cf4 h ILE 117 N 0.73 0.19 0.00 5.09 -2.65 -1.90 1.53 117.51 120.50 1cf4 h ILE 117 Ca 0.00 0.00 -0.01 0.00 1.03 0.00 0.00 64.86 65.88 1cf4 h ILE 117 Cb 0.57 0.46 -0.00 0.00 -2.05 0.00 0.00 36.82 35.80 1cf4 h ILE 117 CO 0.00 0.00 -0.66 -0.78 0.03 0.00 0.00 178.15 176.74 1cf4 h ASP 118 N 0.00 0.00 0.00 2.16 1.82 -1.94 -3.35 116.42 115.11 1cf4 h ASP 118 Ca 0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1cf4 h ASP 118 Cb 1.47 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1cf4 h ASP 118 CO -0.00 0.05 -0.74 0.00 -1.61 0.00 0.00 179.24 176.94 1cf4 n LEU 119 N -2.86 0.33 0.06 2.28 -0.00 0.43 -4.53 117.00 112.71 1cf4 n LEU 119 Ca 0.01 -0.36 0.21 0.00 -0.00 0.00 0.00 56.01 55.87 1cf4 n LEU 119 Cb 0.57 0.00 0.70 0.00 -0.00 0.00 0.00 43.42 44.69 1cf4 n LEU 119 CO 0.38 0.08 1.19 0.08 -0.00 0.00 0.00 177.39 179.12 1cf4 h ARG 120 N 0.00 0.00 0.00 1.47 0.11 0.11 0.99 114.38 117.06 1cf4 h ARG 120 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1cf4 h ARG 120 Cb 0.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 1cf4 h ARG 120 CO 0.00 0.00 -0.30 0.38 0.10 0.00 0.00 179.97 180.15 1cf4 h ASP 121 N 0.00 0.00 -0.58 0.08 3.04 -1.81 -3.44 116.42 113.71 1cf4 h ASP 121 Ca 0.23 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.51 1cf4 h ASP 121 Cb 1.35 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.59 1cf4 h ASP 121 CO -0.00 0.30 1.68 0.47 -2.04 0.00 0.00 179.24 179.64 1cf4 n ASP 122 N -3.44 1.08 0.00 4.15 8.00 0.34 -4.75 116.55 121.93 1cf4 n ASP 122 Ca 0.00 0.01 0.05 0.00 0.71 0.00 0.00 54.79 55.56 1cf4 n ASP 122 Cb 0.48 -1.15 0.28 0.00 -0.02 0.00 0.00 41.12 40.70 1cf4 n ASP 122 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1cf4 n PRO 123 N 8.59 0.15 -0.02 -0.24 -0.02 -1.26 -2.33 135.00 139.86 1cf4 n PRO 123 Ca 0.55 0.19 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1cf4 n PRO 123 Cb 0.20 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 -0.85 2.55 0.87 -1.96 -3.05 113.55 111.11 1cf4 h SER 124 Ca 0.00 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.76 1cf4 h SER 124 Cb 0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1cf4 h SER 124 CO 0.00 0.18 0.57 0.74 -0.53 0.00 0.00 176.83 177.79 1cf4 h THR 125 N -0.29 0.69 -0.92 2.23 2.02 -1.95 0.64 112.91 115.32 1cf4 h THR 125 Ca 0.00 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1cf4 h THR 125 Cb 0.07 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1cf4 h THR 125 CO 0.00 0.06 0.61 -0.29 0.37 0.00 0.00 175.52 176.27 1cf4 h ILE 126 N 0.33 1.24 -0.75 3.11 6.09 -1.61 -0.17 117.51 125.74 1cf4 h ILE 126 Ca 0.43 -0.43 0.10 0.00 -1.37 0.00 0.00 64.86 63.59 1cf4 h ILE 126 Cb 1.17 -0.12 -0.05 0.00 0.47 0.00 0.00 36.82 38.29 1cf4 h ILE 126 CO -0.13 0.23 0.49 -0.33 -3.07 0.00 0.00 178.15 175.34 1cf4 h GLU 127 N 1.25 0.63 -0.16 2.19 4.39 0.42 0.85 114.58 124.16 1cf4 h GLU 127 Ca 0.34 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 1cf4 h GLU 127 Cb -0.14 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 1cf4 h GLU 127 CO -0.07 0.42 -0.27 0.87 -1.16 0.00 0.00 179.01 178.79 1cf4 h LYS 128 N 0.65 0.29 -0.14 2.33 6.56 -0.79 -2.34 116.57 123.13 1cf4 h LYS 128 Ca 0.35 -0.10 -0.19 0.00 -1.06 0.00 0.00 60.65 59.65 1cf4 h LYS 128 Cb 0.49 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.13 1cf4 h LYS 128 CO -0.13 0.54 -0.65 -0.07 -2.06 0.00 0.00 179.45 177.08 1cf4 h LEU 129 N 0.26 0.81 -1.73 2.94 3.38 0.53 -3.00 115.31 118.49 1cf4 h LEU 129 Ca 0.04 -0.63 0.19 0.00 0.09 0.00 0.00 57.88 57.57 1cf4 h LEU 129 Cb 0.62 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1cf4 h LEU 129 CO 0.04 1.31 0.70 0.00 0.09 0.00 0.00 178.44 180.59 1cf4 h ALA 130 N 0.52 2.46 -0.26 1.53 0.00 0.99 1.55 119.26 126.05 1cf4 h ALA 130 Ca -0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1cf4 h ALA 130 Cb 1.29 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1cf4 h ALA 130 CO 0.14 -1.05 -0.14 0.87 0.00 0.00 0.00 179.25 179.06 1cf4 h LYS 131 N 0.00 0.44 0.00 0.00 1.79 -1.36 -3.37 116.57 114.06 1cf4 h LYS 131 Ca 0.32 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 1cf4 h LYS 131 Cb 1.72 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.32 1cf4 h LYS 131 CO -0.00 0.58 -0.81 0.09 -1.08 0.00 0.00 179.45 178.22 1cf4 n ASN 132 N -4.20 4.00 0.00 0.86 3.02 0.12 -5.03 115.26 114.04 1cf4 n ASN 132 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1cf4 n ASN 132 Cb 0.32 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1cf4 n ASN 132 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1cf4 n LYS 133 N -1.75 0.00 0.00 3.52 4.81 0.49 -4.36 118.16 120.86 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 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cf4 n GLN 134 N -2.12 0.00 -2.05 1.64 10.64 -0.36 -4.65 117.38 120.48 1cf4 n GLN 134 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 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 3.19 0.11 2.61 1.02 -1.26 -4.69 119.74 120.72 1cf4 s LYS 135 Ca 0.00 1.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.88 1cf4 s LYS 135 Cb 0.00 -4.22 -0.06 0.00 -0.52 0.00 0.00 37.83 33.03 1cf4 s LYS 135 CO 0.00 -2.04 0.93 -2.14 -0.92 0.00 0.00 175.35 171.19 1cf4 s PRO 136 N 5.92 4.68 -0.68 -1.68 0.02 -1.26 -4.76 135.00 137.23 1cf4 s PRO 136 Ca 0.75 1.40 -0.26 0.00 0.02 0.00 0.00 61.00 62.91 1cf4 s PRO 136 Cb -0.19 -3.37 -0.05 0.00 0.02 0.00 0.00 34.50 30.91 1cf4 s PRO 136 CO 0.30 0.24 2.03 0.42 -0.33 0.00 0.00 177.00 179.67 1cf4 s ILE 137 N -0.08 3.28 0.79 2.83 -1.09 -1.22 -4.95 121.20 120.75 1cf4 s ILE 137 Ca 0.45 -0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1cf4 s ILE 137 Cb -0.23 -3.70 0.07 0.00 -1.58 0.00 0.00 42.46 37.01 1cf4 s ILE 137 CO 0.29 -0.67 1.11 0.42 -1.23 0.00 0.00 174.94 174.86 1cf4 s THR 138 N 10.46 3.04 0.55 2.92 -4.23 -1.26 -4.62 115.64 122.50 1cf4 s THR 138 Ca 0.76 0.36 0.32 0.00 -1.18 0.00 0.00 61.69 61.94 1cf4 s THR 138 Cb -0.12 -2.76 0.47 0.00 1.34 0.00 0.00 72.50 71.43 1cf4 s THR 138 CO 0.15 -0.42 1.86 -0.65 -0.54 0.00 0.00 174.62 175.02 1cf4 h PRO 139 N -1.11 0.00 0.00 3.99 0.11 -1.94 0.53 132.00 133.58 1cf4 h PRO 139 Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1cf4 h PRO 139 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1cf4 h PRO 139 CO 0.50 0.00 -0.88 0.93 -0.21 0.00 0.00 178.00 178.33 1cf4 h GLU 140 N 0.00 0.00 0.08 1.05 5.08 -1.97 -3.28 114.58 115.54 1cf4 h GLU 140 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1cf4 h GLU 140 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1cf4 h GLU 140 CO -0.00 0.58 -0.04 1.15 -1.00 0.00 0.00 179.01 179.70 1cf4 h THR 141 N 0.00 1.12 -0.90 1.13 2.02 -0.27 -1.87 112.91 114.14 1cf4 h THR 141 Ca -0.05 -0.73 0.11 0.00 0.77 0.00 0.00 66.41 66.50 1cf4 h THR 141 Cb 1.56 1.59 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 1cf4 h THR 141 CO 0.08 0.18 0.58 0.00 0.37 0.00 0.00 175.52 176.72 1cf4 h ALA 142 N 0.44 1.67 -0.27 6.16 0.00 -1.59 -1.68 119.26 124.00 1cf4 h ALA 142 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1cf4 h ALA 142 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1cf4 h ALA 142 CO 0.02 0.13 -0.02 1.49 0.00 0.00 0.00 179.25 180.87 1cf4 h GLU 143 N 0.85 0.50 0.26 0.00 4.81 -1.59 0.11 114.58 119.51 1cf4 h GLU 143 Ca 0.42 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1cf4 h GLU 143 Cb 0.48 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1cf4 h GLU 143 CO -0.19 0.67 -0.31 0.87 -0.73 0.00 0.00 179.01 179.32 1cf4 h LYS 144 N 0.27 -0.56 -0.70 1.92 1.57 -0.47 -0.71 116.57 117.89 1cf4 h LYS 144 Ca 0.08 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1cf4 h LYS 144 Cb 0.46 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1cf4 h LYS 144 CO 0.02 -0.37 0.44 1.25 -0.57 0.00 0.00 179.45 180.22 1cf4 h LEU 145 N -0.58 0.83 -0.07 2.94 6.46 -1.51 -1.38 115.31 122.00 1cf4 h LEU 145 Ca -0.03 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1cf4 h LEU 145 Cb 0.51 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 1cf4 h LEU 145 CO -0.06 0.64 -0.44 0.00 -0.62 0.00 0.00 178.44 177.96 1cf4 h ALA 146 N 1.23 -0.83 0.00 1.25 0.00 -0.58 0.59 119.26 120.93 1cf4 h ALA 146 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1cf4 h ALA 146 Cb -0.06 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1cf4 h ALA 146 CO -0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 179.25 178.17 1cf4 h ARG 147 N -0.49 0.00 -0.44 0.00 3.08 -1.06 -1.06 114.38 114.40 1cf4 h ARG 147 Ca 0.02 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1cf4 h ARG 147 Cb 0.56 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.52 1cf4 h ARG 147 CO -0.33 0.06 -0.16 0.22 -1.07 0.00 0.00 179.97 178.68 1cf4 h ASP 148 N 0.00 -0.57 0.00 7.04 1.82 0.29 -3.36 116.42 121.64 1cf4 h ASP 148 Ca -0.00 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1cf4 h ASP 148 Cb 0.22 0.34 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1cf4 h ASP 148 CO 0.01 -0.20 0.00 0.18 -1.61 0.00 0.00 179.24 177.62 1cf4 n LEU 149 N -5.37 0.20 0.00 2.28 7.99 -1.11 -5.03 117.00 115.97 1cf4 n LEU 149 Ca 0.03 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 1cf4 n LEU 149 Cb 0.27 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1cf4 n LEU 149 CO 0.11 -0.39 0.00 2.29 -1.51 0.00 0.00 177.39 177.89 1cf4 n LYS 150 N -2.09 0.00 -0.85 3.23 2.85 -0.98 -5.03 118.16 115.29 1cf4 n LYS 150 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 1cf4 n LYS 150 Cb 0.00 0.00 0.18 0.00 -0.65 0.00 0.00 35.03 34.56 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cf4 n ALA 151 N 0.00 4.48 -0.45 0.58 0.00 -0.44 -3.68 120.51 121.01 1cf4 n ALA 151 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.48 1cf4 n ALA 151 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.31 0.00 0.31 -0.94 -2.36 118.33 111.61 1cf4 n VAL 152 Ca 0.38 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.74 1cf4 n VAL 152 Cb 1.27 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 34.15 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 0.00 0.11 -0.41 5.55 2.20 -1.26 -4.81 119.74 121.12 1cf4 s LYS 153 Ca 0.00 0.25 -0.25 0.00 -0.36 0.00 0.00 55.97 55.61 1cf4 s LYS 153 Cb 0.00 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 1cf4 s LYS 153 CO 0.00 -0.03 0.91 -0.47 -0.36 0.00 0.00 175.35 175.39 1cf4 s TYR 154 N 1.98 3.01 0.17 4.03 6.14 -1.26 -4.26 117.35 127.17 1cf4 s TYR 154 Ca -0.02 0.57 0.04 0.00 0.64 0.00 0.00 57.07 58.29 1cf4 s TYR 154 Cb -0.02 -3.76 -0.03 0.00 0.42 0.00 0.00 41.96 38.56 1cf4 s TYR 154 CO -0.16 -0.94 0.27 0.08 0.64 0.00 0.00 175.55 175.44 1cf4 s VAL 155 N 3.55 5.12 -0.17 3.14 1.01 -1.26 -4.74 120.40 127.05 1cf4 s VAL 155 Ca 0.37 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1cf4 s VAL 155 Cb -0.11 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1cf4 s VAL 155 CO 0.22 -0.15 0.39 -1.83 0.00 0.00 0.00 175.10 173.73 1cf4 s GLU 156 N -3.38 4.24 0.00 2.72 -1.05 -1.26 -3.11 118.70 116.85 1cf4 s GLU 156 Ca 0.34 0.24 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 1cf4 s GLU 156 Cb -0.10 -3.49 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 1cf4 s GLU 156 CO 0.28 0.08 0.00 0.00 0.95 0.00 0.00 175.26 176.56 1cf4 s SER 158 N 0.00 5.69 -0.21 0.00 0.01 -1.26 -3.14 113.70 114.80 1cf4 s SER 158 Ca 0.00 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 1cf4 s SER 158 Cb 0.00 -1.53 -0.14 0.00 0.21 0.00 0.00 66.02 64.56 1cf4 s SER 158 CO 0.00 0.05 0.00 0.00 0.41 0.00 0.00 173.24 173.70 1cf4 n ALA 159 N -0.53 0.79 -0.30 1.44 0.00 -1.26 0.04 120.51 120.69 1cf4 n ALA 159 Ca -0.08 -0.60 0.34 0.00 0.00 0.00 0.00 53.44 53.11 1cf4 n ALA 159 Cb 0.55 -0.29 0.75 0.00 0.00 0.00 0.00 19.45 20.46 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 -1.00 0.00 0.00 0.00 -0.00 -1.95 -0.54 115.31 111.82 1cf4 h LEU 160 Ca -0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.54 1cf4 h LEU 160 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 1cf4 h LEU 160 CO -0.19 0.00 -1.38 0.41 -0.00 0.00 0.00 178.44 177.28 1cf4 n THR 161 N -4.15 0.10 -2.42 0.15 -1.04 -1.26 -5.05 114.28 100.61 1cf4 n THR 161 Ca 0.24 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.99 1cf4 n THR 161 Cb 1.22 0.10 0.03 0.00 -1.82 0.00 0.00 70.33 69.86 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 -1.87 -1.09 -0.96 -2.82 7.27 0.88 -4.93 117.38 113.86 1cf4 n GLN 162 Ca -0.03 0.61 -0.21 0.00 0.07 0.00 0.00 57.00 57.44 1cf4 n GLN 162 Cb 0.31 -3.84 0.08 0.00 2.41 0.00 0.00 30.24 29.20 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1cf4 n LYS 163 N -2.19 2.01 -0.52 3.69 4.81 0.11 -4.74 118.16 121.34 1cf4 n LYS 163 Ca -0.03 -2.13 0.00 0.00 -0.87 0.00 0.00 58.31 55.28 1cf4 n LYS 163 Cb 0.55 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cf4 n GLY 164 N -0.32 0.66 0.41 3.14 0.00 -1.26 -4.21 105.19 103.61 1cf4 n GLY 164 Ca 0.41 -0.13 0.23 0.00 0.00 0.00 0.00 46.02 46.53 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 -1.83 0.59 115.31 120.05 1cf4 h LEU 165 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 1cf4 h LEU 165 Cb 0.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1cf4 h LEU 165 CO 0.00 0.00 -0.19 0.07 -0.62 0.00 0.00 178.44 177.70 1cf4 h LYS 166 N 0.00 0.00 0.09 1.25 2.10 -1.93 -2.80 116.57 115.28 1cf4 h LYS 166 Ca 0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.95 1cf4 h LYS 166 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1cf4 h LYS 166 CO -0.00 0.19 -0.05 -0.97 -2.00 0.00 0.00 179.45 176.62 1cf4 h ASN 167 N 0.00 -0.13 -0.59 7.07 -1.24 -0.17 1.26 115.58 121.77 1cf4 h ASN 167 Ca -0.00 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.10 1cf4 h ASN 167 Cb 0.57 0.04 -0.07 0.00 0.73 0.00 0.00 38.32 39.59 1cf4 h ASN 167 CO 0.03 -0.08 0.22 1.62 -1.29 0.00 0.00 177.43 177.93 1cf4 h VAL 168 N -0.13 0.79 -0.89 2.57 3.04 -1.65 -0.85 116.25 119.13 1cf4 h VAL 168 Ca -0.01 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1cf4 h VAL 168 Cb 0.10 0.35 -0.04 0.00 -2.01 0.00 0.00 31.29 29.69 1cf4 h VAL 168 CO 0.01 0.07 0.57 0.15 -1.01 0.00 0.00 177.57 177.36 1cf4 h PHE 169 N 0.41 1.14 -0.76 3.17 3.57 -1.45 -1.12 116.94 121.91 1cf4 h PHE 169 Ca 0.29 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.94 1cf4 h PHE 169 Cb 0.34 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 1cf4 h PHE 169 CO -0.16 0.73 0.50 -0.44 -2.23 0.00 0.00 178.31 176.71 1cf4 h ASP 170 N 1.21 0.47 1.07 0.41 3.32 0.30 0.40 116.42 123.60 1cf4 h ASP 170 Ca 0.32 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 1cf4 h ASP 170 Cb -0.10 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1cf4 h ASP 170 CO -0.07 0.26 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.86 1cf4 h GLU 171 N 0.51 0.00 -0.54 3.56 4.39 -0.71 -0.93 114.58 120.85 1cf4 h GLU 171 Ca 0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.03 1cf4 h GLU 171 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1cf4 h GLU 171 CO -0.13 0.51 0.18 0.00 -1.16 0.00 0.00 179.01 178.41 1cf4 h ALA 172 N 1.49 0.70 0.00 3.43 0.00 0.54 -3.06 119.26 122.36 1cf4 h ALA 172 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1cf4 h ALA 172 Cb 1.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1cf4 h ALA 172 CO 0.07 0.36 -1.23 -0.84 0.00 0.00 0.00 179.25 177.60 1cf4 h ILE 173 N 0.74 0.30 -0.83 0.00 -2.65 -1.46 -3.36 117.51 110.24 1cf4 h ILE 173 Ca 0.18 -1.59 0.19 0.00 1.03 0.00 0.00 64.86 64.66 1cf4 h ILE 173 Cb 0.26 1.82 -0.11 0.00 -2.05 0.00 0.00 36.82 36.74 1cf4 h ILE 173 CO -0.01 0.17 0.32 0.25 0.03 0.00 0.00 178.15 178.91 1cf4 h LEU 174 N 0.00 0.24 -2.02 0.16 5.85 -1.06 1.65 115.31 120.13 1cf4 h LEU 174 Ca -0.10 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1cf4 h LEU 174 Cb 1.35 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 1cf4 h LEU 174 CO 0.03 0.02 -0.08 0.00 -0.34 0.00 0.00 178.44 178.07 1cf4 h ALA 175 N 1.65 1.61 0.15 1.25 0.00 -1.65 0.26 119.26 122.53 1cf4 h ALA 175 Ca 0.49 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.98 1cf4 h ALA 175 Cb 0.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1cf4 h ALA 175 CO -0.50 0.10 -1.85 0.00 0.00 0.00 0.00 179.25 177.00 1cf4 h ALA 176 N 1.92 0.31 0.00 0.00 0.00 0.13 -3.34 119.26 118.27 1cf4 h ALA 176 Ca -0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 54.91 53.59 1cf4 h ALA 176 Cb 0.17 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1cf4 h ALA 176 CO 0.01 1.18 -0.28 1.25 0.00 0.00 0.00 179.25 181.42 1cf4 h LEU 177 N 0.09 0.00 -7.51 0.00 5.85 0.23 -3.47 115.31 110.50 1cf4 h LEU 177 Ca -0.37 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.51 1cf4 h LEU 177 Cb 2.07 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 43.00 1cf4 h LEU 177 CO 0.13 0.28 0.49 -1.61 -0.34 0.00 0.00 178.44 177.39 1cf4 s GLU 178 N -3.94 1.10 0.00 1.25 2.02 0.88 -4.97 118.70 115.04 1cf4 s GLU 178 Ca -0.01 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1cf4 s GLU 178 Cb 0.12 0.40 -0.08 0.00 0.10 0.00 0.00 34.13 34.67 1cf4 s GLU 178 CO 0.66 -0.50 2.00 -1.25 0.02 0.00 0.00 175.26 176.18 1cf4 s PRO 179 N -3.24 4.02 0.62 0.39 0.04 -1.26 -3.78 135.00 131.79 1cf4 s PRO 179 Ca 0.11 2.54 -0.16 0.00 0.04 0.00 0.00 61.00 63.52 1cf4 s PRO 179 Cb -0.01 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1cf4 s PRO 179 CO -0.00 -1.10 1.10 -1.25 0.04 0.00 0.00 177.00 175.79 1cf4 s PRO 180 N 4.70 3.03 -0.17 0.56 0.04 -1.26 -4.95 135.00 136.96 1cf4 s PRO 180 Ca 0.90 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 1cf4 s PRO 180 Cb -0.41 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.22 1cf4 s PRO 180 CO 0.41 -1.06 0.34 -1.21 0.04 0.00 0.00 177.00 175.52 1cf4 s GLU 181 N -3.93 0.24 0.00 4.56 2.02 -1.26 -5.10 118.70 115.23 1cf4 s GLU 181 Ca 0.67 0.90 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1cf4 s GLU 181 Cb -0.20 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.18 1cf4 s GLU 181 CO 0.37 -0.27 0.00 -0.35 0.02 0.00 0.00 175.26 175.03 1cf4 n PRO 182 N 5.37 0.27 -3.48 0.39 -0.04 -1.26 -4.98 135.00 131.26 1cf4 n PRO 182 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 1cf4 n PRO 182 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 1cf4 n PRO 182 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1cf4 s LYS 183 N -1.47 3.59 0.00 0.54 -0.14 -1.26 -5.23 119.74 115.77 1cf4 s LYS 183 Ca 0.00 -3.01 0.00 0.00 -1.36 0.00 0.00 55.97 51.60 1cf4 s LYS 183 Cb 0.00 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 1cf4 s LYS 183 CO 0.00 -1.25 0.14 1.63 -0.76 0.00 0.00 175.35 175.11