#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 n GLN 2 N 0.00 -1.95 -2.64 2.12 7.27 -1.26 -4.97 117.38 115.95 1cf4 n GLN 2 Ca 0.00 1.67 -0.21 0.00 0.07 0.00 0.00 57.00 58.53 1cf4 n GLN 2 Cb 0.00 -1.49 0.04 0.00 2.41 0.00 0.00 30.24 31.20 1cf4 n GLN 2 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1cf4 s THR 3 N -0.31 2.66 0.15 1.69 2.01 -1.26 -4.83 115.64 115.74 1cf4 s THR 3 Ca 0.00 -0.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 1cf4 s THR 3 Cb 0.00 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.54 1cf4 s THR 3 CO 0.00 0.00 0.40 0.27 -0.69 0.00 0.00 174.62 174.60 1cf4 s ILE 4 N -2.77 0.06 -0.07 1.82 -0.00 -1.26 -4.76 121.20 114.22 1cf4 s ILE 4 Ca 0.57 -0.84 0.01 0.00 -0.00 0.00 0.00 60.65 60.40 1cf4 s ILE 4 Cb -0.10 -1.44 0.02 0.00 -0.00 0.00 0.00 42.46 40.94 1cf4 s ILE 4 CO 0.38 -0.27 -0.09 -1.59 -0.00 0.00 0.00 174.94 173.37 1cf4 s LYS 5 N -3.86 1.43 0.17 0.37 -2.85 -1.26 -4.59 119.74 109.15 1cf4 s LYS 5 Ca 0.08 -0.30 0.10 0.00 -1.00 0.00 0.00 55.97 54.85 1cf4 s LYS 5 Cb 0.01 -1.29 -0.04 0.00 -2.06 0.00 0.00 37.83 34.45 1cf4 s LYS 5 CO -0.07 -0.06 -0.16 0.00 0.10 0.00 0.00 175.35 175.17 1cf4 s VAL 7 N -1.58 0.10 0.19 0.00 1.01 -1.26 -2.57 120.40 116.29 1cf4 s VAL 7 Ca 0.22 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.49 1cf4 s VAL 7 Cb -0.09 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1cf4 s VAL 7 CO 0.12 -0.43 0.01 0.54 0.00 0.00 0.00 175.10 175.34 1cf4 s VAL 8 N -3.70 3.72 -0.27 2.92 0.11 -1.26 -3.43 120.40 118.48 1cf4 s VAL 8 Ca 0.03 -1.50 -0.15 0.00 -2.93 0.00 0.00 61.98 57.43 1cf4 s VAL 8 Cb 0.03 -2.90 0.08 0.00 -1.53 0.00 0.00 36.38 32.06 1cf4 s VAL 8 CO -0.11 -0.16 0.66 -0.69 -3.33 0.00 0.00 175.10 171.47 1cf4 s VAL 9 N -1.84 -0.01 -4.18 2.04 1.01 -0.74 -4.92 120.40 111.75 1cf4 s VAL 9 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1cf4 s VAL 9 Cb -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1cf4 s VAL 9 CO 0.19 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1cf4 n GLY 10 N 4.32 0.67 1.23 4.51 0.00 -1.26 -3.21 105.19 111.45 1cf4 n GLY 10 Ca -0.20 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 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 3.01 -4.05 1.61 9.92 -1.24 -5.00 116.55 120.81 1cf4 n ASP 11 Ca 0.00 -3.56 -0.19 0.00 -0.53 0.00 0.00 54.79 50.51 1cf4 n ASP 11 Cb 0.00 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 39.75 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1cf4 s GLY 12 N -2.22 2.10 -0.11 0.44 0.00 -1.26 -4.90 107.32 101.36 1cf4 s GLY 12 Ca 0.46 -1.73 -0.07 0.00 0.00 0.00 0.00 44.72 43.37 1cf4 s GLY 12 CO 0.03 -1.62 0.16 0.00 0.00 0.00 0.00 173.10 171.67 1cf4 h ALA 13 N 2.17 0.01 -4.56 3.20 0.00 -1.94 -3.46 119.26 114.68 1cf4 h ALA 13 Ca -0.34 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1cf4 h ALA 13 Cb 1.25 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1cf4 h ALA 13 CO 0.54 0.05 -0.19 1.55 0.00 0.00 0.00 179.25 181.21 1cf4 n VAL 14 N -4.72 -0.09 -4.54 0.00 3.14 -1.26 -4.82 118.33 106.04 1cf4 n VAL 14 Ca -0.03 -0.05 -0.25 0.00 -2.96 0.00 0.00 64.34 61.05 1cf4 n VAL 14 Cb 0.14 -0.14 -0.06 0.00 -1.06 0.00 0.00 33.84 32.71 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 -0.94 3.50 0.26 7.55 0.00 -1.26 -4.58 105.19 109.73 1cf4 n GLY 15 Ca -0.02 -2.22 0.17 0.00 0.00 0.00 0.00 46.02 43.96 1cf4 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cf4 h LYS 16 N 0.00 0.00 0.00 1.61 3.11 -1.96 -1.44 116.57 117.90 1cf4 h LYS 16 Ca -0.32 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.52 1cf4 h LYS 16 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1cf4 h LYS 16 CO 0.52 0.00 0.00 0.25 -2.81 0.00 0.00 179.45 177.41 1cf4 n THR 17 N -2.71 0.00 0.37 1.00 -2.24 -1.26 -3.72 114.28 105.72 1cf4 n THR 17 Ca -0.02 0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 62.06 1cf4 n THR 17 Cb 0.07 -1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 1cf4 n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 n LEU 19 N -5.45 0.00 0.38 0.00 4.77 -0.54 -0.90 117.00 115.25 1cf4 n LEU 19 Ca -0.13 0.91 -0.19 0.00 -0.03 0.00 0.00 56.01 56.57 1cf4 n LEU 19 Cb 0.39 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1cf4 n LEU 19 CO 0.35 -0.41 0.53 -0.07 -1.33 0.00 0.00 177.39 176.46 1cf4 h LEU 20 N 0.00 -1.30 0.00 2.23 -0.00 -1.67 -2.21 115.31 112.36 1cf4 h LEU 20 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1cf4 h LEU 20 Cb 0.00 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1cf4 h LEU 20 CO 0.00 -0.72 0.00 -0.38 -0.00 0.00 0.00 178.44 177.34 1cf4 n ILE 21 N -5.55 0.00 -0.55 1.22 2.08 -0.75 0.55 119.36 116.37 1cf4 n ILE 21 Ca -0.14 1.47 0.46 0.00 0.56 0.00 0.00 62.75 65.10 1cf4 n ILE 21 Cb 0.49 -2.18 0.76 0.00 -0.75 0.00 0.00 39.64 37.96 1cf4 n ILE 21 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1cf4 h SER 22 N 0.00 0.00 0.00 4.38 0.02 -1.09 1.64 113.55 118.50 1cf4 h SER 22 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cf4 h SER 22 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1cf4 h SER 22 CO 0.00 0.00 -0.01 0.22 -1.14 0.00 0.00 176.83 175.90 1cf4 h TYR 23 N 0.00 0.00 -0.37 3.45 3.20 -0.28 -3.40 116.97 119.58 1cf4 h TYR 23 Ca 0.79 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.68 1cf4 h TYR 23 Cb 3.29 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 41.53 1cf4 h TYR 23 CO 0.00 0.00 0.21 0.00 -1.64 0.00 0.00 178.16 176.73 1cf4 h THR 24 N -0.13 1.02 -0.78 1.81 1.03 0.89 -3.43 112.91 113.32 1cf4 h THR 24 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1cf4 h THR 24 Cb 0.01 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 67.66 1cf4 h THR 24 CO 0.00 0.08 0.00 0.35 -0.01 0.00 0.00 175.52 175.94 1cf4 n THR 25 N -4.90 0.00 -2.83 0.00 -2.24 0.55 -5.06 114.28 99.80 1cf4 n THR 25 Ca 0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1cf4 n THR 25 Cb 0.06 -0.58 0.05 0.00 -2.10 0.00 0.00 70.33 67.76 1cf4 n THR 25 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cf4 n ASN 26 N 0.00 -0.53 -3.93 3.42 2.04 -1.26 -4.72 115.26 110.28 1cf4 n ASN 26 Ca 0.00 -3.01 -0.09 0.00 -0.44 0.00 0.00 54.58 51.04 1cf4 n ASN 26 Cb 0.00 0.48 -0.09 0.00 -2.53 0.00 0.00 39.78 37.64 1cf4 n ASN 26 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1cf4 s LYS 27 N -1.25 0.68 0.23 -3.83 1.02 -1.26 -5.06 119.74 110.27 1cf4 s LYS 27 Ca 0.28 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1cf4 s LYS 27 Cb 0.37 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.95 1cf4 s LYS 27 CO -0.05 -0.18 0.00 0.34 -0.92 0.00 0.00 175.35 174.54 1cf4 n PHE 28 N 0.36 -3.39 -1.35 3.18 7.35 -1.26 -3.96 117.46 118.38 1cf4 n PHE 28 Ca -0.17 0.78 -0.34 0.00 -0.76 0.00 0.00 57.45 56.96 1cf4 n PHE 28 Cb 0.60 2.15 -0.05 0.00 0.35 0.00 0.00 39.48 42.53 1cf4 n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1cf4 n PRO 29 N -2.92 3.48 0.00 -7.13 -0.04 -1.26 -4.47 135.00 122.67 1cf4 n PRO 29 Ca 0.00 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1cf4 n PRO 29 Cb 0.00 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.85 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 3.04 0.00 -3.47 3.54 7.64 -1.26 -5.13 113.62 117.98 1cf4 n SER 30 Ca 0.69 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 1cf4 n SER 30 Cb 0.37 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.00 0.54 -0.60 1.43 1.03 -1.26 -5.11 118.70 114.72 1cf4 s GLU 31 Ca 0.00 1.21 -0.04 0.00 0.03 0.00 0.00 54.97 56.17 1cf4 s GLU 31 Cb 0.00 0.64 0.16 0.00 -0.80 0.00 0.00 34.13 34.13 1cf4 s GLU 31 CO 0.00 -0.37 0.43 0.71 -1.33 0.00 0.00 175.26 174.70 1cf4 s TYR 32 N 2.84 3.46 -0.16 4.83 1.51 -1.26 -4.88 117.35 123.69 1cf4 s TYR 32 Ca 0.05 -2.56 0.09 0.00 -1.01 0.00 0.00 57.07 53.63 1cf4 s TYR 32 Cb -0.13 -3.27 -0.16 0.00 -0.11 0.00 0.00 41.96 38.29 1cf4 s TYR 32 CO -0.19 -0.88 -0.03 0.28 -1.11 0.00 0.00 175.55 173.62 1cf4 n VAL 33 N 3.77 1.02 -0.34 0.71 0.31 -1.26 -4.61 118.33 117.93 1cf4 n VAL 33 Ca 0.06 -0.54 0.35 0.00 -0.01 0.00 0.00 64.34 64.19 1cf4 n VAL 33 Cb 0.39 -0.81 0.55 0.00 -0.91 0.00 0.00 33.84 33.06 1cf4 n VAL 33 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1cf4 h PRO 34 N 0.00 0.00 -5.21 5.55 0.11 -2.03 -3.38 132.00 127.05 1cf4 h PRO 34 Ca -0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.62 1cf4 h PRO 34 Cb 1.81 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.89 1cf4 h PRO 34 CO -0.01 0.00 0.55 2.41 -0.21 0.00 0.00 178.00 180.75 1cf4 n THR 35 N -3.44 0.00 0.00 -1.15 -1.04 -1.26 -1.99 114.28 105.40 1cf4 n THR 35 Ca 0.29 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1cf4 n THR 35 Cb 1.64 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 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 7.82 0.00 -1.11 12.58 3.14 -1.26 -4.32 118.33 135.18 1cf4 n VAL 36 Ca 0.49 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.89 1cf4 n VAL 36 Cb 0.37 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.41 1cf4 n VAL 36 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 1cf4 n PHE 37 N 0.00 1.46 0.24 1.45 7.35 -0.84 -4.60 117.46 122.52 1cf4 n PHE 37 Ca 0.00 -1.14 0.15 0.00 -0.76 0.00 0.00 57.45 55.70 1cf4 n PHE 37 Cb 0.00 -0.47 0.79 0.00 0.35 0.00 0.00 39.48 40.15 1cf4 n PHE 37 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1cf4 h ASP 38 N 1.92 0.00 -1.05 -2.13 1.82 -1.87 -2.89 116.42 112.22 1cf4 h ASP 38 Ca 0.13 0.00 0.30 0.00 -0.39 0.00 0.00 57.03 57.08 1cf4 h ASP 38 Cb 1.78 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.75 1cf4 h ASP 38 CO 0.42 0.00 0.95 -1.13 -1.61 0.00 0.00 179.24 177.88 1cf4 h ASN 39 N 0.00 0.00 -3.99 2.28 -1.24 -1.81 -3.40 115.58 107.42 1cf4 h ASN 39 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 1cf4 h ASN 39 Cb 0.05 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.22 1cf4 h ASN 39 CO 0.00 0.00 0.72 -0.72 -1.29 0.00 0.00 177.43 176.14 1cf4 s TYR 40 N -4.67 2.45 0.68 0.67 1.13 -1.10 -4.90 117.35 111.61 1cf4 s TYR 40 Ca -0.04 1.24 -0.02 0.00 -1.41 0.00 0.00 57.07 56.84 1cf4 s TYR 40 Cb 0.19 -3.95 0.14 0.00 -1.10 0.00 0.00 41.96 37.23 1cf4 s TYR 40 CO 0.64 -3.01 0.93 0.00 -2.51 0.00 0.00 175.55 171.60 1cf4 n ALA 41 N -0.15 0.02 -3.82 9.51 0.00 -1.26 -4.66 120.51 120.15 1cf4 n ALA 41 Ca 0.05 -1.74 -0.25 0.00 0.00 0.00 0.00 53.44 51.49 1cf4 n ALA 41 Cb 0.41 0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.95 1cf4 n ALA 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1cf4 s VAL 42 N -2.85 0.84 -0.58 0.00 -7.23 -1.26 -5.03 120.40 104.29 1cf4 s VAL 42 Ca 0.61 -0.18 -0.24 0.00 -1.81 0.00 0.00 61.98 60.35 1cf4 s VAL 42 Cb -0.03 -0.88 0.05 0.00 0.56 0.00 0.00 36.38 36.07 1cf4 s VAL 42 CO 0.40 0.33 0.96 0.28 -0.31 0.00 0.00 175.10 176.77 1cf4 s THR 43 N 1.66 4.34 -0.18 5.32 -1.32 -1.26 -4.04 115.64 120.16 1cf4 s THR 43 Ca 0.03 0.19 -0.28 0.00 -1.21 0.00 0.00 61.69 60.42 1cf4 s THR 43 Cb -0.13 -4.58 0.08 0.00 -1.51 0.00 0.00 72.50 66.36 1cf4 s THR 43 CO -0.06 -1.20 0.75 0.68 -2.21 0.00 0.00 174.62 172.57 1cf4 s VAL 44 N 4.06 0.00 -0.81 5.08 -7.23 -1.26 -5.06 120.40 115.17 1cf4 s VAL 44 Ca 0.29 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 60.21 1cf4 s VAL 44 Cb -0.13 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.83 1cf4 s VAL 44 CO 0.18 0.00 1.47 -0.32 -0.31 0.00 0.00 175.10 176.12 1cf4 s MET 45 N -0.30 3.16 -0.68 4.82 1.75 -1.26 -3.48 119.30 123.31 1cf4 s MET 45 Ca -0.04 -0.35 -0.17 0.00 -1.25 0.00 0.00 55.69 53.88 1cf4 s MET 45 Cb -0.03 -4.61 0.15 0.00 2.84 0.00 0.00 34.83 33.18 1cf4 s MET 45 CO 0.04 -2.36 0.71 -1.50 -0.65 0.00 0.00 175.02 171.25 1cf4 s ILE 46 N 6.42 5.16 0.00 10.11 2.07 -1.25 -4.86 121.20 138.85 1cf4 s ILE 46 Ca 0.46 -1.63 0.00 0.00 -1.41 0.00 0.00 60.65 58.07 1cf4 s ILE 46 Cb -0.06 -4.47 0.00 0.00 0.13 0.00 0.00 42.46 38.06 1cf4 s ILE 46 CO 0.08 -1.06 0.00 0.61 -1.91 0.00 0.00 174.94 172.65 1cf4 n GLY 47 N 4.91 0.96 0.00 1.50 0.00 -1.26 -4.38 105.19 106.92 1cf4 n GLY 47 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1cf4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf4 n GLY 48 N 0.00 -0.09 3.31 -0.02 0.00 -1.26 -5.02 105.19 102.11 1cf4 n GLY 48 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.12 2.97 -0.88 1.61 2.02 -1.26 -5.06 118.70 115.98 1cf4 s GLU 49 Ca -0.01 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 53.93 1cf4 s GLU 49 Cb 0.01 -2.38 -0.06 0.00 0.10 0.00 0.00 34.13 31.80 1cf4 s GLU 49 CO 0.08 0.30 2.00 -1.25 0.02 0.00 0.00 175.26 176.41 1cf4 s PRO 50 N 0.09 2.45 -0.29 0.39 0.04 -1.26 -3.84 135.00 132.57 1cf4 s PRO 50 Ca -0.09 -0.18 -0.18 0.00 0.04 0.00 0.00 61.00 60.59 1cf4 s PRO 50 Cb -0.15 -5.02 0.17 0.00 0.04 0.00 0.00 34.50 29.54 1cf4 s PRO 50 CO 0.06 -3.49 1.13 1.52 0.04 0.00 0.00 177.00 176.26 1cf4 s TYR 51 N 10.60 -0.33 0.00 0.56 -0.85 -1.23 -4.94 117.35 121.17 1cf4 s TYR 51 Ca 0.73 0.69 0.04 0.00 -0.52 0.00 0.00 57.07 58.01 1cf4 s TYR 51 Cb -0.08 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.51 1cf4 s TYR 51 CO 0.01 -0.16 -0.13 0.99 -1.52 0.00 0.00 175.55 174.73 1cf4 s THR 52 N 0.97 1.06 0.23 -3.49 2.01 -1.26 -4.33 115.64 110.84 1cf4 s THR 52 Ca -0.06 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 1cf4 s THR 52 Cb -0.03 -0.90 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 1cf4 s THR 52 CO -0.12 0.22 0.61 -0.22 -0.69 0.00 0.00 174.62 174.41 1cf4 s LEU 53 N -0.53 4.19 0.83 4.42 2.96 -1.26 -4.48 118.68 124.82 1cf4 s LEU 53 Ca 0.04 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.95 1cf4 s LEU 53 Cb -0.06 -3.69 0.17 0.00 0.50 0.00 0.00 46.19 43.12 1cf4 s LEU 53 CO -0.00 -0.06 1.14 -0.83 -1.32 0.00 0.00 176.35 175.28 1cf4 s GLY 54 N -2.16 1.77 -0.09 7.98 0.00 -1.26 -4.75 107.32 108.82 1cf4 s GLY 54 Ca 0.47 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1cf4 s GLY 54 CO 0.20 -0.91 -0.10 1.08 0.00 0.00 0.00 173.10 173.36 1cf4 s LEU 55 N -5.47 2.94 -0.32 0.66 2.01 -1.26 -4.42 118.68 112.80 1cf4 s LEU 55 Ca 0.71 -0.16 -0.25 0.00 0.01 0.00 0.00 54.13 54.43 1cf4 s LEU 55 Cb -0.04 -1.64 0.01 0.00 0.01 0.00 0.00 46.19 44.53 1cf4 s LEU 55 CO 0.48 0.29 0.89 -0.36 1.01 0.00 0.00 176.35 178.67 1cf4 s PHE 56 N -0.39 3.16 0.38 0.29 0.40 -1.06 -4.39 117.98 116.36 1cf4 s PHE 56 Ca 0.05 0.90 0.08 0.00 -0.60 0.00 0.00 56.93 57.36 1cf4 s PHE 56 Cb -0.12 -3.43 -0.07 0.00 0.51 0.00 0.00 43.02 39.91 1cf4 s PHE 56 CO 0.02 -0.67 -0.02 0.16 0.70 0.00 0.00 175.22 175.41 1cf4 s ASP 57 N 1.68 3.88 -0.19 1.36 -4.77 -1.26 -4.51 116.67 112.86 1cf4 s ASP 57 Ca 0.37 -1.26 -0.18 0.00 -3.30 0.00 0.00 52.55 48.18 1cf4 s ASP 57 Cb -0.13 -0.40 0.05 0.00 -1.09 0.00 0.00 42.92 41.35 1cf4 s ASP 57 CO 0.14 -0.35 0.51 0.28 0.70 0.00 0.00 175.17 176.46 1cf4 s THR 58 N -2.65 -0.00 -0.29 2.11 -1.32 -1.26 -4.91 115.64 107.32 1cf4 s THR 58 Ca 0.34 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.61 1cf4 s THR 58 Cb 0.06 -0.71 0.15 0.00 -1.51 0.00 0.00 72.50 70.48 1cf4 s THR 58 CO 0.18 0.00 1.10 0.00 -2.21 0.00 0.00 174.62 173.69 1cf4 s ALA 59 N 0.28 -2.17 -0.59 11.08 0.00 -1.26 -4.84 121.76 124.26 1cf4 s ALA 59 Ca -0.00 1.95 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 1cf4 s ALA 59 Cb -0.04 -1.63 -0.24 0.00 0.00 0.00 0.00 23.12 21.21 1cf4 s ALA 59 CO 0.01 -0.25 1.83 0.41 0.00 0.00 0.00 175.76 177.75 1cf4 n GLY 60 N 2.64 1.08 2.04 0.00 0.00 -1.25 -4.24 105.19 105.45 1cf4 n GLY 60 Ca -0.14 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 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 11.11 0.00 -0.34 0.99 4.32 0.19 -4.91 117.00 128.35 1cf4 n LEU 61 Ca 0.47 -1.79 0.16 0.00 -0.02 0.00 0.00 56.01 54.82 1cf4 n LEU 61 Cb 0.43 0.24 0.37 0.00 -1.62 0.00 0.00 43.42 42.85 1cf4 n LEU 61 CO 0.97 -0.26 1.18 -0.33 -1.22 0.00 0.00 177.39 177.74 1cf4 h GLU 62 N 0.00 0.62 0.59 3.23 5.08 -1.99 -2.48 114.58 119.63 1cf4 h GLU 62 Ca -0.23 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1cf4 h GLU 62 Cb 0.72 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1cf4 h GLU 62 CO 0.38 0.41 -0.28 0.22 -1.00 0.00 0.00 179.01 178.74 1cf4 h ASP 63 N 0.64 -0.67 -4.57 1.42 1.82 -1.91 -3.44 116.42 109.70 1cf4 h ASP 63 Ca 0.61 0.02 -0.70 0.00 -0.39 0.00 0.00 57.03 56.57 1cf4 h ASP 63 Cb 1.12 0.17 -0.30 0.00 0.68 0.00 0.00 39.33 41.01 1cf4 h ASP 63 CO -0.41 -0.41 -0.89 -0.31 -1.61 0.00 0.00 179.24 175.61 1cf4 s TYR 64 N -4.41 2.32 -0.01 0.28 2.02 -0.93 -5.07 117.35 111.54 1cf4 s TYR 64 Ca -0.12 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1cf4 s TYR 64 Cb 0.01 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 40.09 1cf4 s TYR 64 CO 0.35 -0.02 -0.01 0.22 -1.57 0.00 0.00 175.55 174.52 1cf4 h ASP 65 N 5.41 0.00 0.01 2.29 3.58 -1.81 0.54 116.42 126.43 1cf4 h ASP 65 Ca -0.43 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 56.60 1cf4 h ASP 65 Cb 1.12 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.11 1cf4 h ASP 65 CO 0.47 0.06 -2.40 0.54 -2.88 0.00 0.00 179.24 175.03 1cf4 n ARG 66 N -2.40 0.61 -1.02 0.28 3.00 -1.26 -3.90 116.66 111.97 1cf4 n ARG 66 Ca -0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.09 1cf4 n ARG 66 Cb 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 30.94 1cf4 n ARG 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1cf4 n LEU 67 N -3.93 -4.08 -1.98 0.55 4.32 -1.26 -4.80 117.00 105.82 1cf4 n LEU 67 Ca -0.49 1.81 -0.06 0.00 -0.02 0.00 0.00 56.01 57.25 1cf4 n LEU 67 Cb 0.91 -1.31 0.06 0.00 -1.62 0.00 0.00 43.42 41.47 1cf4 n LEU 67 CO 0.13 -0.27 0.12 0.54 -1.22 0.00 0.00 177.39 176.70 1cf4 n ARG 68 N -0.08 2.00 0.09 3.23 1.74 -1.26 -4.84 116.66 117.54 1cf4 n ARG 68 Ca 0.00 -3.42 -0.23 0.00 -0.77 0.00 0.00 57.85 53.43 1cf4 n ARG 68 Cb 0.00 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 29.75 1cf4 n ARG 68 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1cf4 h PRO 69 N 1.92 0.43 -0.00 5.56 0.13 -1.97 -3.32 132.00 134.75 1cf4 h PRO 69 Ca 0.03 -0.74 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1cf4 h PRO 69 Cb 1.42 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.83 1cf4 h PRO 69 CO 0.32 1.35 -0.16 -0.11 -0.23 0.00 0.00 178.00 179.17 1cf4 n LEU 70 N -3.62 0.29 0.01 1.56 7.94 -1.26 -3.56 117.00 118.36 1cf4 n LEU 70 Ca -0.23 0.19 -0.09 0.00 -1.11 0.00 0.00 56.01 54.77 1cf4 n LEU 70 Cb 1.08 -0.31 -0.06 0.00 0.53 0.00 0.00 43.42 44.66 1cf4 n LEU 70 CO 0.54 0.06 0.50 -1.28 -1.11 0.00 0.00 177.39 176.10 1cf4 h SER 71 N 0.20 -1.01 -0.08 1.96 0.87 -1.90 -3.40 113.55 110.20 1cf4 h SER 71 Ca 0.00 0.12 -0.24 0.00 -1.23 0.00 0.00 61.79 60.44 1cf4 h SER 71 Cb 0.43 0.39 -0.16 0.00 -0.44 0.00 0.00 62.40 62.62 1cf4 h SER 71 CO 0.00 -0.30 -0.44 0.00 -0.53 0.00 0.00 176.83 175.56 1cf4 n TYR 72 N -4.25 -2.55 -1.38 2.24 4.11 -1.26 -4.95 117.16 109.11 1cf4 n TYR 72 Ca -0.04 -2.11 -0.31 0.00 -0.00 0.00 0.00 57.90 55.44 1cf4 n TYR 72 Cb 0.23 1.53 0.08 0.00 -0.00 0.00 0.00 39.34 41.17 1cf4 n TYR 72 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1cf4 s PRO 73 N 0.09 2.38 -0.00 -3.48 0.04 -1.23 -4.83 135.00 127.97 1cf4 s PRO 73 Ca 0.23 1.02 0.16 0.00 0.04 0.00 0.00 61.00 62.45 1cf4 s PRO 73 Cb 0.34 -1.92 0.47 0.00 0.04 0.00 0.00 34.50 33.42 1cf4 s PRO 73 CO -0.06 -1.51 1.39 0.00 0.04 0.00 0.00 177.00 176.85 1cf4 n GLN 74 N -3.42 2.25 -1.65 4.56 -0.00 -1.26 -4.76 117.38 113.12 1cf4 n GLN 74 Ca 0.08 -1.90 -0.53 0.00 -0.00 0.00 0.00 57.00 54.65 1cf4 n GLN 74 Cb 0.54 -1.42 -0.06 0.00 -0.00 0.00 0.00 30.24 29.29 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 1.02 0.37 0.24 -0.39 -1.04 -1.26 -4.82 114.28 108.40 1cf4 n THR 75 Ca 0.18 -0.11 0.14 0.00 -2.04 0.00 0.00 64.05 62.21 1cf4 n THR 75 Cb 0.45 -1.51 0.37 0.00 -1.82 0.00 0.00 70.33 67.83 1cf4 n THR 75 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1cf4 h ASP 76 N 8.94 0.00 -2.95 8.00 5.19 -1.92 -3.36 116.42 130.33 1cf4 h ASP 76 Ca -0.43 0.00 -0.77 0.00 -0.62 0.00 0.00 57.03 55.21 1cf4 h ASP 76 Cb 1.31 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.51 1cf4 h ASP 76 CO 0.97 0.01 0.45 0.52 -3.12 0.00 0.00 179.24 178.07 1cf4 n VAL 77 N -3.10 4.58 -1.96 -1.35 0.31 -1.26 -3.21 118.33 112.34 1cf4 n VAL 77 Ca 0.03 -5.68 -0.29 0.00 -0.01 0.00 0.00 64.34 58.39 1cf4 n VAL 77 Cb 0.44 -2.19 0.12 0.00 -0.91 0.00 0.00 33.84 31.30 1cf4 n VAL 77 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1cf4 s PHE 78 N -2.40 2.51 -0.26 3.52 0.40 0.28 -4.10 117.98 117.94 1cf4 s PHE 78 Ca 0.32 0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1cf4 s PHE 78 Cb 0.03 -3.64 0.14 0.00 0.51 0.00 0.00 43.02 40.06 1cf4 s PHE 78 CO 0.04 -2.00 0.41 -1.17 0.70 0.00 0.00 175.22 173.20 1cf4 s LEU 79 N -5.63 -0.76 -0.09 -0.37 0.20 -1.22 -2.81 118.68 108.00 1cf4 s LEU 79 Ca 0.65 0.24 -0.16 0.00 0.69 0.00 0.00 54.13 55.55 1cf4 s LEU 79 Cb -0.09 1.26 -0.05 0.00 -0.43 0.00 0.00 46.19 46.89 1cf4 s LEU 79 CO 0.50 -0.30 0.42 0.68 -0.29 0.00 0.00 176.35 177.36 1cf4 s VAL 80 N 2.59 5.16 -0.04 1.68 -7.23 -0.43 -1.80 120.40 120.33 1cf4 s VAL 80 Ca 0.13 0.84 0.07 0.00 -1.81 0.00 0.00 61.98 61.21 1cf4 s VAL 80 Cb -0.15 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 1cf4 s VAL 80 CO -0.18 0.42 -0.24 0.00 -0.31 0.00 0.00 175.10 174.78 1cf4 n PHE 82 N 2.62 -0.14 -3.79 0.00 1.16 -1.26 -3.59 117.46 112.46 1cf4 n PHE 82 Ca -0.17 -1.16 -0.13 0.00 -1.87 0.00 0.00 57.45 54.13 1cf4 n PHE 82 Cb 0.51 0.06 -0.12 0.00 -1.61 0.00 0.00 39.48 38.32 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1cf4 s SER 83 N -2.04 -0.22 0.02 5.98 0.01 -1.26 -4.85 113.70 111.35 1cf4 s SER 83 Ca 0.13 0.43 -0.09 0.00 1.31 0.00 0.00 55.95 57.73 1cf4 s SER 83 Cb 0.01 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1cf4 s SER 83 CO 0.09 -0.08 1.13 0.58 0.41 0.00 0.00 173.24 175.38 1cf4 h VAL 84 N 4.92 0.00 -0.83 3.43 2.07 -1.84 -3.40 116.25 120.59 1cf4 h VAL 84 Ca -0.27 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.59 1cf4 h VAL 84 Cb 1.19 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1cf4 h VAL 84 CO 0.38 0.00 1.44 1.33 0.02 0.00 0.00 177.57 180.74 1cf4 n VAL 85 N -3.09 0.12 -3.69 2.57 0.24 -1.26 -3.10 118.33 110.12 1cf4 n VAL 85 Ca -0.03 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 1cf4 n VAL 85 Cb 0.11 -1.41 -0.11 0.00 -1.47 0.00 0.00 33.84 30.96 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1cf4 s SER 86 N 7.49 -0.48 -0.78 -1.34 0.01 -1.26 -5.03 113.70 112.31 1cf4 s SER 86 Ca 1.13 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 59.25 1cf4 s SER 86 Cb -0.97 0.83 0.14 0.00 0.21 0.00 0.00 66.02 66.23 1cf4 s SER 86 CO 0.51 -0.20 2.50 -0.81 0.41 0.00 0.00 173.24 175.65 1cf4 n PRO 87 N 4.39 3.26 -2.22 12.44 -0.04 -1.26 -4.34 135.00 147.22 1cf4 n PRO 87 Ca -0.22 -2.98 0.00 0.00 -0.04 0.00 0.00 63.50 60.27 1cf4 n PRO 87 Cb 0.55 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 0.83 -1.73 -0.08 3.54 2.88 -1.26 -4.47 113.62 113.32 1cf4 n SER 88 Ca 0.53 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.93 1cf4 n SER 88 Cb 0.41 -0.45 -0.14 0.00 -0.75 0.00 0.00 64.21 63.28 1cf4 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cf4 n SER 89 N 1.39 1.11 -0.31 -3.46 2.88 -1.26 -4.32 113.62 109.65 1cf4 n SER 89 Ca 0.00 0.04 0.15 0.00 -1.33 0.00 0.00 58.87 57.73 1cf4 n SER 89 Cb 0.45 0.10 0.39 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.01 0.87 -0.05 0.66 3.57 -1.94 0.56 116.94 120.62 1cf4 h PHE 90 Ca -0.51 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1cf4 h PHE 90 Cb 2.06 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 40.48 1cf4 h PHE 90 CO 0.02 0.22 -0.43 0.93 -2.23 0.00 0.00 178.31 176.82 1cf4 h GLU 91 N 0.64 -0.53 -0.04 1.11 4.39 -2.00 0.31 114.58 118.46 1cf4 h GLU 91 Ca 0.53 0.04 -0.16 0.00 0.34 0.00 0.00 59.36 60.10 1cf4 h GLU 91 Cb 0.98 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1cf4 h GLU 91 CO -0.29 -0.35 -0.61 -2.95 -1.16 0.00 0.00 179.01 173.65 1cf4 h ASN 92 N -0.55 0.60 -0.81 1.42 -1.07 -1.57 -2.80 115.58 110.81 1cf4 h ASN 92 Ca 0.06 -0.71 0.21 0.00 0.07 0.00 0.00 56.30 55.93 1cf4 h ASN 92 Cb 0.65 -0.18 -0.04 0.00 -2.07 0.00 0.00 38.32 36.67 1cf4 h ASN 92 CO -0.35 1.23 0.56 0.58 0.07 0.00 0.00 177.43 179.52 1cf4 h VAL 93 N 0.03 0.64 0.00 6.14 2.07 0.33 1.29 116.25 126.75 1cf4 h VAL 93 Ca -0.06 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1cf4 h VAL 93 Cb 1.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1cf4 h VAL 93 CO 0.12 0.02 -0.00 0.50 0.02 0.00 0.00 177.57 178.23 1cf4 h LYS 94 N 0.14 -0.01 -0.07 1.57 3.11 -0.37 -2.01 116.57 118.94 1cf4 h LYS 94 Ca 0.40 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.24 1cf4 h LYS 94 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1cf4 h LYS 94 CO -0.06 0.86 0.00 0.39 -2.81 0.00 0.00 179.45 177.83 1cf4 n GLU 95 N -4.65 1.22 -0.02 1.90 1.02 -0.71 -2.35 120.64 117.05 1cf4 n GLU 95 Ca -0.09 -0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 56.71 1cf4 n GLU 95 Cb 0.42 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1cf4 n LYS 96 N -0.38 2.53 -0.06 3.49 4.81 0.43 -4.57 118.16 124.42 1cf4 n LYS 96 Ca 0.11 -0.01 -0.22 0.00 -0.87 0.00 0.00 58.31 57.31 1cf4 n LYS 96 Cb 0.12 -1.13 -0.13 0.00 0.02 0.00 0.00 35.03 33.92 1cf4 n LYS 96 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1cf4 n TRP 97 N -2.07 0.98 -0.20 5.64 7.02 -0.75 -3.42 117.44 124.63 1cf4 n TRP 97 Ca -0.06 0.30 -0.00 0.00 -1.02 0.00 0.00 57.50 56.71 1cf4 n TRP 97 Cb 0.55 -1.11 0.10 0.00 -2.42 0.00 0.00 31.31 28.43 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1cf4 h VAL 98 N -0.45 0.74 0.00 -0.99 2.07 -1.67 0.13 116.25 116.09 1cf4 h VAL 98 Ca -0.43 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1cf4 h VAL 98 Cb 1.70 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1cf4 h VAL 98 CO -0.09 0.07 -0.05 1.55 0.02 0.00 0.00 177.57 179.07 1cf4 h PRO 99 N 0.37 0.00 0.11 1.57 0.13 -1.80 -2.96 132.00 129.42 1cf4 h PRO 99 Ca 0.30 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 65.12 1cf4 h PRO 99 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1cf4 h PRO 99 CO -0.32 0.00 -1.63 0.93 -0.23 0.00 0.00 178.00 176.74 1cf4 h GLU 100 N 0.00 0.24 0.00 0.86 5.08 -1.25 -2.23 114.58 117.27 1cf4 h GLU 100 Ca 0.00 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1cf4 h GLU 100 Cb 0.76 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1cf4 h GLU 100 CO 0.00 1.08 -0.53 -0.84 -1.00 0.00 0.00 179.01 177.73 1cf4 h ILE 101 N 0.07 0.93 0.02 3.13 3.07 -0.85 -2.69 117.51 121.19 1cf4 h ILE 101 Ca -0.28 -2.24 -0.30 0.00 1.55 0.00 0.00 64.86 63.59 1cf4 h ILE 101 Cb 2.03 2.41 -0.04 0.00 -0.27 0.00 0.00 36.82 40.94 1cf4 h ILE 101 CO 0.15 0.52 -1.70 0.71 -1.05 0.00 0.00 178.15 176.77 1cf4 h THR 102 N 0.00 0.87 0.18 0.16 1.35 -1.64 -2.90 112.91 110.93 1cf4 h THR 102 Ca -0.01 -2.69 -0.01 0.00 -0.55 0.00 0.00 66.41 63.15 1cf4 h THR 102 Cb 1.36 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1cf4 h THR 102 CO 0.07 0.58 -0.09 -0.74 -0.25 0.00 0.00 175.52 175.09 1cf4 h HIS 103 N 0.01 -0.23 0.00 4.73 -0.00 -1.46 -3.08 115.15 115.12 1cf4 h HIS 103 Ca -0.29 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.01 1cf4 h HIS 103 Cb 2.00 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 29.48 1cf4 h HIS 103 CO 0.01 0.18 -0.32 0.45 -0.00 0.00 0.00 177.93 178.25 1cf4 h HIS 104 N -0.88 0.00 -3.02 5.26 -0.00 -1.68 -3.38 115.15 111.44 1cf4 h HIS 104 Ca -0.03 0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.75 1cf4 h HIS 104 Cb 0.51 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 27.52 1cf4 h HIS 104 CO 0.08 0.32 -0.76 0.00 -0.00 0.00 0.00 177.93 177.57 1cf4 n PRO 106 N 4.32 1.03 -2.90 0.00 -0.02 -1.16 -3.53 135.00 132.73 1cf4 n PRO 106 Ca 0.03 0.29 -0.01 0.00 -2.02 0.00 0.00 63.50 61.79 1cf4 n PRO 106 Cb 0.39 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cf4 n LYS 107 N 7.99 -2.35 -3.77 -0.52 4.76 -1.26 -5.01 118.16 117.99 1cf4 n LYS 107 Ca 0.41 2.05 -0.27 0.00 -2.87 0.00 0.00 58.31 57.63 1cf4 n LYS 107 Cb 0.21 -3.31 -0.17 0.00 -1.84 0.00 0.00 35.03 29.92 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1cf4 s THR 108 N -1.06 0.62 0.27 -0.18 2.01 -1.23 -5.01 115.64 111.06 1cf4 s THR 108 Ca -0.05 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.20 1cf4 s THR 108 Cb 0.00 -0.99 -0.12 0.00 0.01 0.00 0.00 72.50 71.41 1cf4 s THR 108 CO 0.43 -0.05 1.64 -2.84 -0.69 0.00 0.00 174.62 173.11 1cf4 s PRO 109 N 1.83 4.11 0.01 4.92 0.02 -1.20 -4.87 135.00 139.83 1cf4 s PRO 109 Ca 0.00 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.65 1cf4 s PRO 109 Cb -0.16 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.32 1cf4 s PRO 109 CO -0.07 -0.68 -0.07 -0.59 -0.33 0.00 0.00 177.00 175.25 1cf4 s PHE 110 N 0.35 0.65 -0.04 6.54 -0.71 -1.26 -0.55 117.98 122.95 1cf4 s PHE 110 Ca 0.67 -0.22 0.02 0.00 -1.04 0.00 0.00 56.93 56.36 1cf4 s PHE 110 Cb -0.49 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1cf4 s PHE 110 CO 0.43 -0.02 -0.07 -1.17 -1.34 0.00 0.00 175.22 173.05 1cf4 s LEU 111 N -0.56 3.13 0.40 -1.99 0.20 -1.12 -2.59 118.68 116.15 1cf4 s LEU 111 Ca -0.01 -0.08 -0.04 0.00 0.69 0.00 0.00 54.13 54.69 1cf4 s LEU 111 Cb -0.05 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1cf4 s LEU 111 CO 0.00 0.33 0.68 -0.76 -0.29 0.00 0.00 176.35 176.32 1cf4 s LEU 112 N -1.01 3.83 0.03 -0.68 2.01 -1.24 -1.32 118.68 120.30 1cf4 s LEU 112 Ca 0.14 0.80 0.01 0.00 0.01 0.00 0.00 54.13 55.09 1cf4 s LEU 112 Cb -0.11 -3.70 -0.02 0.00 0.01 0.00 0.00 46.19 42.37 1cf4 s LEU 112 CO 0.03 -0.42 -0.06 0.68 1.01 0.00 0.00 176.35 177.60 1cf4 s VAL 113 N -2.47 0.35 -0.04 -1.59 -7.23 -1.23 -4.19 120.40 104.00 1cf4 s VAL 113 Ca 0.45 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 1cf4 s VAL 113 Cb -0.10 -0.50 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1cf4 s VAL 113 CO 0.38 -0.46 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.76 1cf4 s GLY 114 N -1.59 0.70 0.00 2.32 0.00 -1.23 -4.48 107.32 103.04 1cf4 s GLY 114 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1cf4 s GLY 114 CO -0.01 -0.15 0.00 -1.30 0.00 0.00 0.00 173.10 171.64 1cf4 n THR 115 N 3.30 0.00 0.65 0.90 -2.24 -1.14 -3.06 114.28 112.69 1cf4 n THR 115 Ca -0.19 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1cf4 n THR 115 Cb 0.53 -0.02 0.39 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.65 0.05 0.31 -0.78 7.27 -1.26 -3.20 117.38 118.13 1cf4 n GLN 116 Ca 0.00 0.18 0.17 0.00 0.07 0.00 0.00 57.00 57.42 1cf4 n GLN 116 Cb 0.00 -1.50 0.87 0.00 2.41 0.00 0.00 30.24 32.02 1cf4 n GLN 116 CO 0.00 0.00 0.00 -0.84 0.07 0.00 0.00 177.06 176.29 1cf4 h ILE 117 N 0.00 0.06 -0.01 1.69 -2.65 -1.89 0.52 117.51 115.22 1cf4 h ILE 117 Ca 0.00 0.00 -0.22 0.00 1.03 0.00 0.00 64.86 65.67 1cf4 h ILE 117 Cb 0.27 0.72 0.00 0.00 -2.05 0.00 0.00 36.82 35.76 1cf4 h ILE 117 CO 0.00 0.00 -0.91 -0.78 0.03 0.00 0.00 178.15 176.49 1cf4 h ASP 118 N 0.00 0.51 -0.58 2.16 3.58 -1.89 -3.19 116.42 117.02 1cf4 h ASP 118 Ca 0.02 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1cf4 h ASP 118 Cb 0.60 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1cf4 h ASP 118 CO -0.00 1.19 0.00 0.00 -2.88 0.00 0.00 179.24 177.55 1cf4 n LEU 119 N -3.75 4.11 0.21 2.28 -0.00 0.14 -4.25 117.00 115.73 1cf4 n LEU 119 Ca -0.06 -2.07 0.06 0.00 -0.00 0.00 0.00 56.01 53.94 1cf4 n LEU 119 Cb 0.81 -0.52 0.46 0.00 -0.00 0.00 0.00 43.42 44.17 1cf4 n LEU 119 CO 0.51 0.73 0.79 0.08 -0.00 0.00 0.00 177.39 179.50 1cf4 h ARG 120 N 3.60 0.00 0.00 1.47 0.11 -1.45 -2.31 114.38 115.79 1cf4 h ARG 120 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 1cf4 h ARG 120 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1cf4 h ARG 120 CO 0.18 0.29 -0.36 -0.44 0.10 0.00 0.00 179.97 179.74 1cf4 h ASP 121 N 0.00 0.00 -0.63 0.08 5.19 -1.81 -3.44 116.42 115.81 1cf4 h ASP 121 Ca -0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1cf4 h ASP 121 Cb 0.63 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.09 1cf4 h ASP 121 CO 0.04 0.36 1.66 -0.67 -3.12 0.00 0.00 179.24 177.51 1cf4 n ASP 122 N -3.49 1.16 0.00 6.45 -0.08 -0.87 -4.75 116.55 114.97 1cf4 n ASP 122 Ca -0.00 0.01 0.06 0.00 -1.51 0.00 0.00 54.79 53.35 1cf4 n ASP 122 Cb 0.51 -1.17 0.30 0.00 2.34 0.00 0.00 41.12 43.10 1cf4 n ASP 122 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1cf4 n PRO 123 N 8.58 0.16 -0.02 -0.67 -0.02 -1.26 -2.24 135.00 139.52 1cf4 n PRO 123 Ca 0.53 0.18 -0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1cf4 n PRO 123 Cb 0.21 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 -0.95 2.55 0.87 -1.96 -2.71 113.55 111.34 1cf4 h SER 124 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1cf4 h SER 124 Cb 0.11 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.00 1cf4 h SER 124 CO 0.00 0.24 0.61 0.74 -0.53 0.00 0.00 176.83 177.89 1cf4 h THR 125 N -0.46 0.95 -0.43 2.23 2.02 -1.93 -0.03 112.91 115.26 1cf4 h THR 125 Ca 0.00 -0.32 0.06 0.00 0.77 0.00 0.00 66.41 66.92 1cf4 h THR 125 Cb 0.03 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.31 1cf4 h THR 125 CO 0.00 0.17 0.12 -0.29 0.37 0.00 0.00 175.52 175.90 1cf4 h ILE 126 N 0.95 0.83 -0.86 3.11 6.09 -1.59 0.24 117.51 126.28 1cf4 h ILE 126 Ca 0.45 -0.09 0.16 0.00 -1.37 0.00 0.00 64.86 64.01 1cf4 h ILE 126 Cb 0.44 0.53 -0.06 0.00 0.47 0.00 0.00 36.82 38.20 1cf4 h ILE 126 CO -0.21 0.05 0.56 -0.33 -3.07 0.00 0.00 178.15 175.15 1cf4 h GLU 127 N 0.28 0.52 -0.12 2.19 4.39 -0.66 0.77 114.58 121.93 1cf4 h GLU 127 Ca 0.20 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 1cf4 h GLU 127 Cb 0.22 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1cf4 h GLU 127 CO -0.23 0.34 -0.28 0.87 -1.16 0.00 0.00 179.01 178.55 1cf4 h LYS 128 N 0.53 0.22 -0.06 2.33 6.56 -0.64 -1.96 116.57 123.55 1cf4 h LYS 128 Ca 0.44 -0.08 -0.21 0.00 -1.06 0.00 0.00 60.65 59.73 1cf4 h LYS 128 Cb 0.89 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.54 1cf4 h LYS 128 CO -0.18 0.49 -0.84 -0.07 -2.06 0.00 0.00 179.45 176.80 1cf4 h LEU 129 N 0.20 0.64 -0.95 2.94 3.38 0.90 -3.20 115.31 119.23 1cf4 h LEU 129 Ca 0.03 -0.46 0.29 0.00 0.09 0.00 0.00 57.88 57.84 1cf4 h LEU 129 Cb 0.61 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.02 1cf4 h LEU 129 CO 0.04 1.23 0.38 0.00 0.09 0.00 0.00 178.44 180.19 1cf4 h ALA 130 N 0.74 1.63 -0.51 1.53 0.00 0.65 1.61 119.26 124.91 1cf4 h ALA 130 Ca -0.06 0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1cf4 h ALA 130 Cb 1.45 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1cf4 h ALA 130 CO 0.15 -0.58 0.51 0.87 0.00 0.00 0.00 179.25 180.21 1cf4 h LYS 131 N 0.21 0.00 0.00 0.00 6.56 -1.53 -3.16 116.57 118.65 1cf4 h LYS 131 Ca 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.25 1cf4 h LYS 131 Cb 1.48 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 1cf4 h LYS 131 CO -0.68 0.00 -0.77 0.09 -2.06 0.00 0.00 179.45 176.03 1cf4 n ASN 132 N -3.77 3.73 0.13 0.86 5.03 0.30 -5.06 115.26 116.48 1cf4 n ASN 132 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1cf4 n ASN 132 Cb 0.72 0.33 0.00 0.00 -1.02 0.00 0.00 39.78 39.80 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1cf4 n LYS 133 N -1.75 0.00 -0.94 3.52 4.76 0.47 -4.64 118.16 119.59 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 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1cf4 n GLN 134 N -3.11 0.00 -3.37 1.97 7.27 -0.98 -4.64 117.38 114.53 1cf4 n GLN 134 Ca 0.00 0.28 -0.46 0.00 0.07 0.00 0.00 57.00 56.89 1cf4 n GLN 134 Cb 0.00 -3.38 -0.02 0.00 2.41 0.00 0.00 30.24 29.24 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1cf4 s LYS 135 N -1.14 3.60 0.08 3.69 1.02 -1.26 -4.88 119.74 120.84 1cf4 s LYS 135 Ca 0.00 -2.58 -0.31 0.00 0.02 0.00 0.00 55.97 53.10 1cf4 s LYS 135 Cb 0.00 -4.38 -0.09 0.00 -0.52 0.00 0.00 37.83 32.84 1cf4 s LYS 135 CO 0.00 -1.27 1.69 -1.25 -0.92 0.00 0.00 175.35 173.60 1cf4 s PRO 136 N -0.07 4.18 -0.57 -1.68 0.04 -1.26 -4.72 135.00 130.92 1cf4 s PRO 136 Ca 0.20 2.38 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 1cf4 s PRO 136 Cb -0.11 -3.61 -0.09 0.00 0.04 0.00 0.00 34.50 30.73 1cf4 s PRO 136 CO -0.08 -0.76 2.41 0.42 0.04 0.00 0.00 177.00 179.03 1cf4 s ILE 137 N 2.71 3.01 0.57 0.56 -1.09 -1.18 -4.93 121.20 120.85 1cf4 s ILE 137 Ca 0.75 0.00 -0.17 0.00 -2.23 0.00 0.00 60.65 59.01 1cf4 s ILE 137 Cb -0.41 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1cf4 s ILE 137 CO 0.33 -0.01 1.05 0.42 -1.23 0.00 0.00 174.94 175.50 1cf4 s THR 138 N 12.97 3.80 0.41 2.92 -4.23 -1.26 -4.62 115.64 125.63 1cf4 s THR 138 Ca 0.96 0.90 0.22 0.00 -1.18 0.00 0.00 61.69 62.59 1cf4 s THR 138 Cb -0.16 -3.40 0.42 0.00 1.34 0.00 0.00 72.50 70.70 1cf4 s THR 138 CO 0.21 -0.46 1.73 -0.65 -0.54 0.00 0.00 174.62 174.91 1cf4 h PRO 139 N 0.64 0.29 0.00 3.99 0.11 -1.96 0.80 132.00 135.88 1cf4 h PRO 139 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1cf4 h PRO 139 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1cf4 h PRO 139 CO 0.58 0.19 -0.33 0.93 -0.21 0.00 0.00 178.00 179.16 1cf4 h GLU 140 N 0.30 0.00 0.25 1.05 5.08 -2.00 -2.76 114.58 116.51 1cf4 h GLU 140 Ca 0.65 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1cf4 h GLU 140 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1cf4 h GLU 140 CO -0.33 0.33 -0.12 1.15 -1.00 0.00 0.00 179.01 179.04 1cf4 h THR 141 N 0.00 0.81 -0.75 1.13 2.02 0.29 -2.14 112.91 114.27 1cf4 h THR 141 Ca -0.00 -0.58 0.06 0.00 0.77 0.00 0.00 66.41 66.65 1cf4 h THR 141 Cb 0.65 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1cf4 h THR 141 CO 0.04 0.12 0.49 0.00 0.37 0.00 0.00 175.52 176.55 1cf4 h ALA 142 N -0.00 1.66 -0.75 6.16 0.00 -1.48 -1.32 119.26 123.53 1cf4 h ALA 142 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1cf4 h ALA 142 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1cf4 h ALA 142 CO 0.06 0.23 0.24 1.49 0.00 0.00 0.00 179.25 181.26 1cf4 h GLU 143 N 0.81 1.17 0.12 0.00 4.81 -1.40 0.47 114.58 120.57 1cf4 h GLU 143 Ca 0.32 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1cf4 h GLU 143 Cb 0.23 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1cf4 h GLU 143 CO -0.11 0.99 -0.06 0.87 -0.73 0.00 0.00 179.01 179.97 1cf4 h LYS 144 N 1.12 -0.16 -0.54 1.92 1.57 -0.58 -2.08 116.57 117.82 1cf4 h LYS 144 Ca 0.24 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1cf4 h LYS 144 Cb 0.31 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1cf4 h LYS 144 CO -0.01 0.11 -0.10 1.25 -0.57 0.00 0.00 179.45 180.13 1cf4 h LEU 145 N -0.42 1.03 -0.63 2.94 6.46 -1.28 0.42 115.31 123.82 1cf4 h LEU 145 Ca -0.02 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1cf4 h LEU 145 Cb 0.34 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 1cf4 h LEU 145 CO 0.03 1.14 0.31 0.00 -0.62 0.00 0.00 178.44 179.29 1cf4 h ALA 146 N 0.93 0.84 0.00 1.25 0.00 -0.02 -2.01 119.26 120.24 1cf4 h ALA 146 Ca 0.14 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1cf4 h ALA 146 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1cf4 h ALA 146 CO 0.05 -0.07 -0.90 0.00 0.00 0.00 0.00 179.25 178.33 1cf4 h ARG 147 N 0.56 0.00 -0.69 0.00 3.08 -1.26 0.83 114.38 116.89 1cf4 h ARG 147 Ca 0.30 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.52 1cf4 h ARG 147 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1cf4 h ARG 147 CO -0.23 0.33 0.48 0.22 -1.07 0.00 0.00 179.97 179.71 1cf4 h ASP 148 N 0.00 0.14 -0.02 7.04 3.58 0.60 -0.43 116.42 127.33 1cf4 h ASP 148 Ca -0.07 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1cf4 h ASP 148 Cb 1.40 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1cf4 h ASP 148 CO 0.05 0.07 0.00 0.18 -2.88 0.00 0.00 179.24 176.66 1cf4 n LEU 149 N -4.40 2.46 -4.12 2.28 4.77 -1.13 -4.98 117.00 111.89 1cf4 n LEU 149 Ca 0.13 -3.04 -0.33 0.00 -0.03 0.00 0.00 56.01 52.74 1cf4 n LEU 149 Cb 0.66 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1cf4 n LEU 149 CO 0.36 0.70 -0.05 0.29 -1.33 0.00 0.00 177.39 177.35 1cf4 n LYS 150 N -1.33 -3.55 0.00 3.23 4.76 -0.17 -4.91 118.16 116.19 1cf4 n LYS 150 Ca 0.16 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.01 1cf4 n LYS 150 Cb 0.65 -5.02 0.00 0.00 -1.84 0.00 0.00 35.03 28.81 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n ALA 151 N -4.44 0.00 -0.47 7.82 0.00 0.28 -4.92 120.51 118.78 1cf4 n ALA 151 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cf4 n ALA 151 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.48 0.00 0.00 0.00 0.31 -1.07 -4.03 118.33 113.06 1cf4 n VAL 152 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1cf4 n VAL 152 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1cf4 n VAL 152 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cf4 n LYS 153 N -1.77 0.00 -3.50 5.55 3.00 -1.26 -4.98 118.16 115.20 1cf4 n LYS 153 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1cf4 n LYS 153 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1cf4 n LYS 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1cf4 s TYR 154 N 0.00 3.23 0.15 5.64 5.04 -1.26 -3.62 117.35 126.53 1cf4 s TYR 154 Ca 0.00 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.23 1cf4 s TYR 154 Cb 0.00 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.74 1cf4 s TYR 154 CO 0.00 -0.49 0.24 0.08 -1.34 0.00 0.00 175.55 174.04 1cf4 s VAL 155 N 1.69 5.11 -0.25 3.14 1.01 -1.26 -4.83 120.40 125.00 1cf4 s VAL 155 Ca 0.05 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1cf4 s VAL 155 Cb -0.18 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1cf4 s VAL 155 CO 0.10 -0.08 0.59 -1.61 0.00 0.00 0.00 175.10 174.10 1cf4 s GLU 156 N -3.15 4.10 0.34 2.72 2.02 -1.26 -3.53 118.70 119.94 1cf4 s GLU 156 Ca 0.34 0.47 -0.14 0.00 0.02 0.00 0.00 54.97 55.66 1cf4 s GLU 156 Cb -0.11 -3.65 0.03 0.00 0.10 0.00 0.00 34.13 30.50 1cf4 s GLU 156 CO 0.27 -0.39 0.68 0.00 0.02 0.00 0.00 175.26 175.84 1cf4 s SER 158 N -3.06 -0.62 -0.20 0.00 0.15 -1.24 -2.89 113.70 105.84 1cf4 s SER 158 Ca 0.18 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 57.74 1cf4 s SER 158 Cb -0.04 0.90 -0.11 0.00 -1.71 0.00 0.00 66.02 65.06 1cf4 s SER 158 CO 0.12 -0.41 -0.22 0.00 1.20 0.00 0.00 173.24 173.93 1cf4 n ALA 159 N 1.82 1.59 0.06 5.45 0.00 -1.26 0.60 120.51 128.78 1cf4 n ALA 159 Ca -0.17 -0.85 0.02 0.00 0.00 0.00 0.00 53.44 52.45 1cf4 n ALA 159 Cb 0.56 0.12 0.38 0.00 0.00 0.00 0.00 19.45 20.51 1cf4 n ALA 159 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1cf4 h LEU 160 N -0.31 0.35 0.00 0.00 8.10 -1.92 -3.00 115.31 118.54 1cf4 h LEU 160 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 57.88 57.41 1cf4 h LEU 160 Cb 1.60 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 41.72 1cf4 h LEU 160 CO -0.17 0.41 -1.72 0.41 -4.11 0.00 0.00 178.44 173.25 1cf4 n THR 161 N -4.34 0.16 -1.68 0.15 -1.04 -1.26 -5.04 114.28 101.23 1cf4 n THR 161 Ca 0.01 -0.38 -0.01 0.00 -2.04 0.00 0.00 64.05 61.62 1cf4 n THR 161 Cb 0.20 0.02 0.01 0.00 -1.82 0.00 0.00 70.33 68.74 1cf4 n THR 161 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cf4 n GLN 162 N -2.10 -0.23 -1.10 -2.82 6.02 -0.85 -4.96 117.38 111.34 1cf4 n GLN 162 Ca -0.06 0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 1cf4 n GLN 162 Cb 0.48 -1.95 0.03 0.00 1.02 0.00 0.00 30.24 29.82 1cf4 n GLN 162 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1cf4 n LYS 163 N -1.65 2.09 0.00 -1.09 4.81 0.20 -4.84 118.16 117.68 1cf4 n LYS 163 Ca -0.01 -2.06 0.00 0.00 -0.87 0.00 0.00 58.31 55.37 1cf4 n LYS 163 Cb 0.51 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.72 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 0.19 2.24 5.00 3.14 0.00 -1.26 -3.60 105.19 110.89 1cf4 n GLY 164 Ca 0.40 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1cf4 n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cf4 n LEU 165 N 0.00 0.00 -0.01 0.99 0.00 -1.26 -4.13 117.00 112.59 1cf4 n LEU 165 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 56.01 56.25 1cf4 n LEU 165 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 43.42 44.11 1cf4 n LEU 165 CO 0.00 0.00 1.21 0.07 0.00 0.00 0.00 177.39 178.67 1cf4 h LYS 166 N 0.00 0.00 0.09 1.96 5.09 -1.92 -2.15 116.57 119.64 1cf4 h LYS 166 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1cf4 h LYS 166 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1cf4 h LYS 166 CO 0.00 0.00 -0.04 -0.97 -2.09 0.00 0.00 179.45 176.35 1cf4 h ASN 167 N 0.00 -0.10 -0.49 7.07 -1.24 -1.92 0.21 115.58 119.11 1cf4 h ASN 167 Ca 0.29 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.38 1cf4 h ASN 167 Cb 1.55 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 40.56 1cf4 h ASN 167 CO -0.00 -0.06 0.13 1.62 -1.29 0.00 0.00 177.43 177.82 1cf4 h VAL 168 N -0.13 0.77 -0.18 2.57 3.04 -1.77 0.35 116.25 120.91 1cf4 h VAL 168 Ca -0.01 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1cf4 h VAL 168 Cb 0.09 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 1cf4 h VAL 168 CO 0.02 0.05 0.08 0.15 -1.01 0.00 0.00 177.57 176.86 1cf4 h PHE 169 N 0.28 0.23 -0.55 3.17 3.57 -1.47 -0.44 116.94 121.75 1cf4 h PHE 169 Ca 0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1cf4 h PHE 169 Cb 0.29 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1cf4 h PHE 169 CO -0.20 0.18 0.21 -0.44 -2.23 0.00 0.00 178.31 175.84 1cf4 h ASP 170 N 0.25 0.72 0.51 0.41 3.32 0.16 -0.59 116.42 121.20 1cf4 h ASP 170 Ca 0.06 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1cf4 h ASP 170 Cb 0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1cf4 h ASP 170 CO -0.01 0.65 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.69 1cf4 h GLU 171 N 0.78 0.00 0.14 3.56 4.57 -0.56 0.13 114.58 123.21 1cf4 h GLU 171 Ca 0.19 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1cf4 h GLU 171 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1cf4 h GLU 171 CO -0.02 0.40 -0.07 0.00 -1.18 0.00 0.00 179.01 178.15 1cf4 h ALA 172 N 1.60 -0.19 0.00 2.92 0.00 -0.60 -3.04 119.26 119.95 1cf4 h ALA 172 Ca -0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1cf4 h ALA 172 Cb 0.77 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cf4 h ALA 172 CO 0.05 -0.58 -0.66 -0.84 0.00 0.00 0.00 179.25 177.22 1cf4 h ILE 173 N -0.24 0.52 -0.55 0.00 -2.65 -1.42 -3.34 117.51 109.83 1cf4 h ILE 173 Ca -0.02 -1.80 0.11 0.00 1.03 0.00 0.00 64.86 64.18 1cf4 h ILE 173 Cb 0.19 2.15 -0.09 0.00 -2.05 0.00 0.00 36.82 37.02 1cf4 h ILE 173 CO 0.03 0.30 -0.01 0.25 0.03 0.00 0.00 178.15 178.75 1cf4 h LEU 174 N 0.00 -0.26 -1.84 0.16 7.12 -0.62 0.36 115.31 120.22 1cf4 h LEU 174 Ca -0.04 0.14 0.14 0.00 0.13 0.00 0.00 57.88 58.25 1cf4 h LEU 174 Cb 1.31 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.67 1cf4 h LEU 174 CO 0.04 -0.10 0.56 0.00 -0.13 0.00 0.00 178.44 178.81 1cf4 h ALA 175 N 1.50 2.22 0.16 1.25 0.00 -1.66 0.14 119.26 122.87 1cf4 h ALA 175 Ca 0.28 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1cf4 h ALA 175 Cb 0.44 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cf4 h ALA 175 CO -0.48 -0.81 -1.31 0.00 0.00 0.00 0.00 179.25 176.65 1cf4 h ALA 176 N 1.35 0.04 0.00 0.00 0.00 -0.52 -3.31 119.26 116.82 1cf4 h ALA 176 Ca 0.24 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1cf4 h ALA 176 Cb 1.35 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1cf4 h ALA 176 CO -0.00 0.71 0.00 -0.07 0.00 0.00 0.00 179.25 179.89 1cf4 h LEU 177 N -0.19 0.00 -7.00 0.00 3.38 -0.14 -3.45 115.31 107.92 1cf4 h LEU 177 Ca -0.26 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.83 1cf4 h LEU 177 Cb 1.85 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 42.33 1cf4 h LEU 177 CO 0.14 0.00 0.64 -1.83 0.09 0.00 0.00 178.44 177.48 1cf4 s GLU 178 N -3.56 0.39 0.11 1.13 4.04 -0.01 -4.97 118.70 115.83 1cf4 s GLU 178 Ca 0.02 0.26 -0.34 0.00 0.04 0.00 0.00 54.97 54.94 1cf4 s GLU 178 Cb 0.09 0.19 -0.14 0.00 0.02 0.00 0.00 34.13 34.29 1cf4 s GLU 178 CO 0.45 -0.09 1.63 -2.30 -1.84 0.00 0.00 175.26 173.11 1cf4 n PRO 179 N 1.31 2.10 -2.56 -4.83 -0.02 -1.26 -3.92 135.00 125.82 1cf4 n PRO 179 Ca -0.09 0.76 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 1cf4 n PRO 179 Cb 0.57 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 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 1.53 4.52 -0.03 0.52 0.04 -1.26 -5.00 135.00 135.32 1cf4 s PRO 180 Ca 0.82 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1cf4 s PRO 180 Cb -0.70 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 1cf4 s PRO 180 CO 0.41 0.15 -0.14 -1.21 0.04 0.00 0.00 177.00 176.25 1cf4 s GLU 181 N -1.79 2.44 0.00 4.56 2.02 -1.26 -5.14 118.70 119.53 1cf4 s GLU 181 Ca 0.49 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1cf4 s GLU 181 Cb -0.27 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1cf4 s GLU 181 CO 0.34 0.61 0.00 -0.35 0.02 0.00 0.00 175.26 175.88 1cf4 n PRO 182 N 2.07 0.30 -3.27 0.39 -0.04 -1.26 -4.99 135.00 128.19 1cf4 n PRO 182 Ca -0.17 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.83 1cf4 n PRO 182 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.53 3.11 0.00 0.54 1.02 -1.26 -5.25 119.74 116.37 1cf4 s LYS 183 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.22 1cf4 s LYS 183 Cb 0.00 -4.33 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 1cf4 s LYS 183 CO 0.00 -1.37 0.00 0.36 -0.92 0.00 0.00 175.35 173.42