#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 n GLN 2 N 0.00 -4.69 -0.89 2.12 7.27 -1.26 -4.73 117.38 115.19 1cf4 n GLN 2 Ca 0.00 3.43 0.00 0.00 0.07 0.00 0.00 57.00 60.50 1cf4 n GLN 2 Cb 0.00 -3.81 0.00 0.00 2.41 0.00 0.00 30.24 28.84 1cf4 n GLN 2 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1cf4 n THR 3 N -0.10 0.00 -3.63 1.69 -1.04 -1.26 -4.93 114.28 105.01 1cf4 n THR 3 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1cf4 n THR 3 Cb 0.00 -0.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 1cf4 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1cf4 s ILE 4 N 0.74 0.03 -0.31 12.58 -4.36 -1.26 -3.84 121.20 124.77 1cf4 s ILE 4 Ca 0.00 -0.52 -0.01 0.00 -0.26 0.00 0.00 60.65 59.85 1cf4 s ILE 4 Cb 0.00 -1.33 0.10 0.00 1.25 0.00 0.00 42.46 42.48 1cf4 s ILE 4 CO 0.00 -0.14 0.11 -0.75 0.24 0.00 0.00 174.94 174.40 1cf4 s LYS 5 N -3.82 0.66 -0.63 0.37 2.20 -1.26 -4.39 119.74 112.86 1cf4 s LYS 5 Ca 0.05 -1.04 -0.28 0.00 -0.36 0.00 0.00 55.97 54.35 1cf4 s LYS 5 Cb -0.00 -1.87 0.02 0.00 -1.51 0.00 0.00 37.83 34.47 1cf4 s LYS 5 CO -0.08 -1.00 1.33 0.00 -0.36 0.00 0.00 175.35 175.24 1cf4 s VAL 7 N 5.83 0.45 -0.11 0.00 1.01 -1.26 -4.17 120.40 122.13 1cf4 s VAL 7 Ca 0.44 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1cf4 s VAL 7 Cb -0.09 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1cf4 s VAL 7 CO 0.21 -0.09 0.07 0.54 0.00 0.00 0.00 175.10 175.83 1cf4 s VAL 8 N 1.91 4.91 -0.06 2.92 0.11 -1.26 -4.21 120.40 124.71 1cf4 s VAL 8 Ca 0.01 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 1cf4 s VAL 8 Cb -0.16 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1cf4 s VAL 8 CO -0.07 0.59 -0.10 0.68 -3.33 0.00 0.00 175.10 172.87 1cf4 s VAL 9 N -0.78 0.97 -5.00 2.04 -7.23 -1.24 -5.01 120.40 104.16 1cf4 s VAL 9 Ca 0.13 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1cf4 s VAL 9 Cb -0.12 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1cf4 s VAL 9 CO 0.03 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1cf4 n GLY 10 N 3.90 0.70 1.93 2.32 0.00 -1.26 -4.57 105.19 108.22 1cf4 n GLY 10 Ca -0.23 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.81 1cf4 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cf4 n ASP 11 N 3.00 3.95 -3.77 1.61 9.92 -1.26 -4.91 116.55 125.10 1cf4 n ASP 11 Ca 0.00 -3.19 -0.13 0.00 -0.53 0.00 0.00 54.79 50.94 1cf4 n ASP 11 Cb 0.00 -0.75 -0.08 0.00 -0.64 0.00 0.00 41.12 39.65 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 -0.83 -0.14 0.09 0.44 0.00 -1.26 -4.99 107.32 100.63 1cf4 s GLY 12 Ca 0.47 0.25 -0.29 0.00 0.00 0.00 0.00 44.72 45.15 1cf4 s GLY 12 CO 0.10 0.05 1.65 0.00 0.00 0.00 0.00 173.10 174.90 1cf4 h ALA 13 N 3.79 -0.56 -0.23 3.20 0.00 -1.98 -3.43 119.26 120.04 1cf4 h ALA 13 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1cf4 h ALA 13 Cb 1.18 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1cf4 h ALA 13 CO 0.41 -0.83 0.00 1.33 0.00 0.00 0.00 179.25 180.16 1cf4 n VAL 14 N -5.37 0.00 -1.04 0.00 0.24 -1.26 0.17 118.33 111.07 1cf4 n VAL 14 Ca -0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 1cf4 n VAL 14 Cb 0.27 0.00 0.32 0.00 -1.47 0.00 0.00 33.84 32.96 1cf4 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cf4 n GLY 15 N 0.00 3.64 0.00 7.63 0.00 -1.26 -4.77 105.19 110.43 1cf4 n GLY 15 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1cf4 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cf4 n LYS 16 N -0.09 1.01 0.13 1.61 5.02 0.45 -4.55 118.16 121.73 1cf4 n LYS 16 Ca 0.36 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.64 1cf4 n LYS 16 Cb 1.28 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 36.41 1cf4 n LYS 16 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1cf4 h THR 17 N -0.28 1.32 -1.85 -0.18 1.35 -1.93 -3.25 112.91 108.09 1cf4 h THR 17 Ca 0.00 -2.29 0.54 0.00 -0.55 0.00 0.00 66.41 64.10 1cf4 h THR 17 Cb 0.00 2.28 -0.07 0.00 -1.73 0.00 0.00 68.15 68.63 1cf4 h THR 17 CO 0.00 0.63 1.33 0.00 -0.25 0.00 0.00 175.52 177.22 1cf4 n LEU 19 N -3.98 0.04 -0.01 0.00 7.99 -1.23 -1.53 117.00 118.29 1cf4 n LEU 19 Ca 0.41 0.88 -0.08 0.00 -0.01 0.00 0.00 56.01 57.21 1cf4 n LEU 19 Cb 1.89 -0.45 0.08 0.00 -0.11 0.00 0.00 43.42 44.84 1cf4 n LEU 19 CO 0.44 -0.45 0.55 -0.07 -1.51 0.00 0.00 177.39 176.36 1cf4 h LEU 20 N 0.00 0.62 0.00 2.23 3.38 -1.52 -1.48 115.31 118.53 1cf4 h LEU 20 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1cf4 h LEU 20 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1cf4 h LEU 20 CO 0.00 0.98 0.00 -0.38 0.09 0.00 0.00 178.44 179.13 1cf4 n ILE 21 N -4.01 0.00 -0.16 1.22 2.08 0.29 -1.87 119.36 116.91 1cf4 n ILE 21 Ca -0.02 1.44 0.13 0.00 0.56 0.00 0.00 62.75 64.86 1cf4 n ILE 21 Cb 0.55 -2.40 0.46 0.00 -0.75 0.00 0.00 39.64 37.50 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 0.46 -0.87 4.38 0.02 -0.33 1.85 113.55 119.06 1cf4 h SER 22 Ca 0.00 0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.16 1cf4 h SER 22 Cb 0.00 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1cf4 h SER 22 CO 0.00 0.26 0.58 0.22 -1.14 0.00 0.00 176.83 176.75 1cf4 h TYR 23 N 0.50 0.57 0.00 3.45 3.20 -1.10 -2.94 116.97 120.65 1cf4 h TYR 23 Ca 0.35 0.02 -0.42 0.00 3.14 0.00 0.00 58.73 61.82 1cf4 h TYR 23 Cb 0.67 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 1cf4 h TYR 23 CO -0.00 0.17 -2.46 2.41 -1.64 0.00 0.00 178.16 176.64 1cf4 n THR 24 N -4.51 1.44 -3.17 1.81 -1.04 0.63 -5.07 114.28 104.36 1cf4 n THR 24 Ca 0.18 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1cf4 n THR 24 Cb 0.64 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 1cf4 n THR 24 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1cf4 n THR 25 N -3.83 0.00 0.00 12.58 5.66 0.60 -5.01 114.28 124.28 1cf4 n THR 25 Ca -0.49 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1cf4 n THR 25 Cb 0.91 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 1cf4 n THR 25 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1cf4 n ASN 26 N -0.03 0.00 -1.66 1.09 5.15 -1.26 -1.66 115.26 116.89 1cf4 n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1cf4 n ASN 26 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1cf4 n ASN 26 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1cf4 n LYS 27 N -1.83 -4.50 -0.07 1.20 5.02 -1.26 -4.73 118.16 111.99 1cf4 n LYS 27 Ca 0.00 3.44 -0.21 0.00 -2.02 0.00 0.00 58.31 59.52 1cf4 n LYS 27 Cb 0.00 -4.15 -0.12 0.00 -0.02 0.00 0.00 35.03 30.74 1cf4 n LYS 27 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1cf4 h PHE 28 N 0.71 0.12 -0.91 2.13 3.57 -1.92 -3.40 116.94 117.24 1cf4 h PHE 28 Ca 0.00 -0.09 -0.67 0.00 3.53 0.00 0.00 57.97 60.74 1cf4 h PHE 28 Cb 0.67 -0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.29 1cf4 h PHE 28 CO 0.05 1.53 2.24 -0.35 -2.23 0.00 0.00 178.31 179.55 1cf4 n PRO 29 N -4.23 4.04 0.00 6.41 -0.04 -1.26 -4.53 135.00 135.40 1cf4 n PRO 29 Ca -0.31 -3.01 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 1cf4 n PRO 29 Cb 0.76 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 1.92 0.00 -3.59 3.54 7.64 -1.26 -5.17 113.62 116.70 1cf4 n SER 30 Ca 0.62 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1cf4 n SER 30 Cb 0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 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 1.38 -0.26 1.43 -1.05 -1.26 -5.14 118.70 113.79 1cf4 s GLU 31 Ca 0.00 -0.67 -0.02 0.00 -0.15 0.00 0.00 54.97 54.13 1cf4 s GLU 31 Cb 0.00 0.57 0.09 0.00 -0.44 0.00 0.00 34.13 34.35 1cf4 s GLU 31 CO 0.00 -0.60 0.09 0.71 0.95 0.00 0.00 175.26 176.40 1cf4 s TYR 32 N -3.81 1.07 0.32 4.83 1.51 -1.26 -4.93 117.35 115.07 1cf4 s TYR 32 Ca 0.05 -1.18 0.00 0.00 -1.01 0.00 0.00 57.07 54.93 1cf4 s TYR 32 Cb -0.02 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1cf4 s TYR 32 CO -0.07 -0.77 0.00 0.28 -1.11 0.00 0.00 175.55 173.88 1cf4 n VAL 33 N 5.03 0.00 -0.44 0.71 0.31 -1.26 -4.94 118.33 117.74 1cf4 n VAL 33 Ca -0.05 0.00 0.41 0.00 -0.01 0.00 0.00 64.34 64.68 1cf4 n VAL 33 Cb 0.44 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 34.08 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 -0.02 5.55 0.11 -2.03 0.72 132.00 136.33 1cf4 h PRO 34 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1cf4 h PRO 34 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1cf4 h PRO 34 CO 0.00 0.00 0.13 0.00 -0.21 0.00 0.00 178.00 177.92 1cf4 h THR 35 N 0.00 0.07 -0.09 -1.15 1.03 -1.95 -1.95 112.91 108.86 1cf4 h THR 35 Ca 0.69 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 67.12 1cf4 h THR 35 Cb 3.04 0.87 -0.00 0.00 -1.07 0.00 0.00 68.15 70.99 1cf4 h THR 35 CO -0.01 0.00 0.42 1.62 -0.01 0.00 0.00 175.52 177.54 1cf4 h VAL 36 N 0.00 0.07 -0.25 0.00 3.04 0.07 -2.56 116.25 116.62 1cf4 h VAL 36 Ca 0.01 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.48 1cf4 h VAL 36 Cb 0.27 0.60 -0.08 0.00 -2.01 0.00 0.00 31.29 30.07 1cf4 h VAL 36 CO -0.00 0.00 -0.08 2.22 -1.01 0.00 0.00 177.57 178.70 1cf4 n PHE 37 N -3.02 0.46 0.00 3.17 -1.74 -0.74 -4.87 117.46 110.73 1cf4 n PHE 37 Ca 0.00 -1.53 0.00 0.00 -0.56 0.00 0.00 57.45 55.37 1cf4 n PHE 37 Cb 0.49 -1.26 0.00 0.00 1.52 0.00 0.00 39.48 40.23 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1cf4 n ASP 38 N 1.76 0.00 -0.57 5.98 5.75 -0.97 -4.54 116.55 123.97 1cf4 n ASP 38 Ca 0.34 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 55.05 1cf4 n ASP 38 Cb 0.73 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 1cf4 n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1cf4 n ASN 39 N 0.00 -3.49 -4.72 -1.12 5.15 -1.25 -4.97 115.26 104.87 1cf4 n ASN 39 Ca 0.00 0.12 -0.42 0.00 -0.60 0.00 0.00 54.58 53.68 1cf4 n ASN 39 Cb 0.00 -1.88 -0.03 0.00 -0.53 0.00 0.00 39.78 37.34 1cf4 n ASN 39 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1cf4 s TYR 40 N -2.27 2.79 -0.27 1.20 1.51 -1.26 -4.96 117.35 114.09 1cf4 s TYR 40 Ca 0.00 0.29 -0.15 0.00 -1.01 0.00 0.00 57.07 56.19 1cf4 s TYR 40 Cb 0.00 -4.15 -0.03 0.00 -0.11 0.00 0.00 41.96 37.67 1cf4 s TYR 40 CO 0.00 -4.41 0.38 0.00 -1.11 0.00 0.00 175.55 170.42 1cf4 s ALA 41 N 1.41 3.56 0.27 3.71 0.00 -1.26 -4.81 121.76 124.64 1cf4 s ALA 41 Ca 0.76 -0.83 0.11 0.00 0.00 0.00 0.00 51.96 52.00 1cf4 s ALA 41 Cb -0.49 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1cf4 s ALA 41 CO 0.33 -0.70 -0.14 0.14 0.00 0.00 0.00 175.76 175.39 1cf4 s VAL 42 N 2.09 2.79 -0.25 0.00 -7.23 -1.26 -5.12 120.40 111.42 1cf4 s VAL 42 Ca 0.15 -2.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.06 1cf4 s VAL 42 Cb -0.16 -2.47 0.08 0.00 0.56 0.00 0.00 36.38 34.39 1cf4 s VAL 42 CO 0.10 -0.38 0.08 0.28 -0.31 0.00 0.00 175.10 174.87 1cf4 s THR 43 N -2.43 0.46 0.27 5.32 -1.32 -1.26 -4.67 115.64 112.01 1cf4 s THR 43 Ca 0.30 -0.83 -0.02 0.00 -1.21 0.00 0.00 61.69 59.93 1cf4 s THR 43 Cb -0.06 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1cf4 s THR 43 CO 0.16 -0.47 0.39 1.33 -2.21 0.00 0.00 174.62 173.82 1cf4 n VAL 44 N 5.05 0.00 -3.28 5.08 0.24 -1.26 -5.07 118.33 119.08 1cf4 n VAL 44 Ca -0.06 -1.36 -0.46 0.00 -2.04 0.00 0.00 64.34 60.42 1cf4 n VAL 44 Cb 0.45 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.62 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 -2.60 3.21 -1.11 7.34 -2.45 -1.26 -1.72 119.30 120.70 1cf4 s MET 45 Ca 0.22 -1.90 -0.21 0.00 -1.25 0.00 0.00 55.69 52.55 1cf4 s MET 45 Cb -0.01 -4.35 0.06 0.00 1.25 0.00 0.00 34.83 31.78 1cf4 s MET 45 CO 0.16 -1.36 1.53 0.42 1.05 0.00 0.00 175.02 176.82 1cf4 s ILE 46 N 1.31 4.03 0.00 10.11 -1.09 -1.05 -4.87 121.20 129.64 1cf4 s ILE 46 Ca 0.10 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1cf4 s ILE 46 Cb -0.22 -5.09 0.00 0.00 -1.58 0.00 0.00 42.46 35.56 1cf4 s ILE 46 CO -0.01 -1.95 0.00 0.61 -1.23 0.00 0.00 174.94 172.36 1cf4 n GLY 47 N 6.33 0.49 0.00 6.18 0.00 -1.26 -3.62 105.19 113.31 1cf4 n GLY 47 Ca 0.38 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1cf4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cf4 n GLY 48 N 0.00 0.00 3.29 -0.02 0.00 -1.26 -4.81 105.19 102.39 1cf4 n GLY 48 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1cf4 n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1cf4 s GLU 49 N 0.00 1.15 -0.66 1.61 -1.05 -1.24 -5.00 118.70 113.52 1cf4 s GLU 49 Ca 0.00 -1.25 -0.36 0.00 -0.15 0.00 0.00 54.97 53.21 1cf4 s GLU 49 Cb 0.00 -1.28 -0.18 0.00 -0.44 0.00 0.00 34.13 32.23 1cf4 s GLU 49 CO 0.00 0.28 2.38 -2.30 0.95 0.00 0.00 175.26 176.56 1cf4 n PRO 50 N 0.74 0.25 -3.56 -4.83 -0.02 -1.26 -3.98 135.00 122.34 1cf4 n PRO 50 Ca -0.17 0.05 -0.06 0.00 -2.02 0.00 0.00 63.50 61.30 1cf4 n PRO 50 Cb 0.55 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.21 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 7.79 -0.22 0.06 6.00 6.14 -0.70 -4.91 117.35 131.51 1cf4 s TYR 51 Ca 1.23 0.16 0.02 0.00 0.64 0.00 0.00 57.07 59.11 1cf4 s TYR 51 Cb -1.21 0.52 -0.03 0.00 0.42 0.00 0.00 41.96 41.66 1cf4 s TYR 51 CO 0.54 -0.33 -0.07 0.95 0.64 0.00 0.00 175.55 177.28 1cf4 s THR 52 N -2.57 0.57 0.79 4.34 -4.23 -1.26 -2.53 115.64 110.74 1cf4 s THR 52 Ca 0.07 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 1cf4 s THR 52 Cb -0.01 -0.94 0.17 0.00 1.34 0.00 0.00 72.50 73.05 1cf4 s THR 52 CO -0.06 -0.54 1.07 0.00 -0.54 0.00 0.00 174.62 174.55 1cf4 n LEU 53 N 0.99 0.00 -3.84 4.79 -0.00 -1.26 -5.05 117.00 112.63 1cf4 n LEU 53 Ca -0.19 -1.74 -0.30 0.00 -0.00 0.00 0.00 56.01 53.78 1cf4 n LEU 53 Cb 0.57 -0.76 -0.15 0.00 -0.00 0.00 0.00 43.42 43.08 1cf4 n LEU 53 CO 0.24 -1.14 -0.36 -0.83 -0.00 0.00 0.00 177.39 175.30 1cf4 s GLY 54 N -5.28 1.24 -0.76 1.47 0.00 -1.26 -4.82 107.32 97.91 1cf4 s GLY 54 Ca 0.66 -1.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.50 1cf4 s GLY 54 CO 0.45 1.31 1.11 1.08 0.00 0.00 0.00 173.10 177.05 1cf4 s LEU 55 N 1.46 4.12 -0.57 0.66 1.02 -1.26 -4.51 118.68 119.60 1cf4 s LEU 55 Ca 0.05 -1.08 -0.25 0.00 0.02 0.00 0.00 54.13 52.86 1cf4 s LEU 55 Cb -0.18 -2.46 0.04 0.00 0.02 0.00 0.00 46.19 43.61 1cf4 s LEU 55 CO -0.16 -1.48 1.03 -0.36 0.02 0.00 0.00 176.35 175.40 1cf4 s PHE 56 N 4.32 2.72 0.00 0.29 0.08 -1.26 -3.91 117.98 120.22 1cf4 s PHE 56 Ca 0.29 0.11 -0.18 0.00 0.12 0.00 0.00 56.93 57.27 1cf4 s PHE 56 Cb -0.11 -4.23 -0.06 0.00 -0.57 0.00 0.00 43.02 38.05 1cf4 s PHE 56 CO 0.06 -1.45 0.51 0.34 -0.10 0.00 0.00 175.22 174.58 1cf4 s ASP 57 N 2.92 6.91 -0.04 1.36 2.15 -1.26 -4.88 116.67 123.82 1cf4 s ASP 57 Ca 0.34 1.08 -0.06 0.00 0.43 0.00 0.00 52.55 54.34 1cf4 s ASP 57 Cb -0.11 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1cf4 s ASP 57 CO 0.21 0.20 0.20 0.28 -0.17 0.00 0.00 175.17 175.89 1cf4 s THR 58 N -0.58 5.41 0.35 1.71 -1.32 -1.26 -4.79 115.64 115.15 1cf4 s THR 58 Ca 0.27 0.10 -0.09 0.00 -1.21 0.00 0.00 61.69 60.76 1cf4 s THR 58 Cb -0.18 -3.51 0.02 0.00 -1.51 0.00 0.00 72.50 67.33 1cf4 s THR 58 CO 0.15 0.45 0.60 0.00 -2.21 0.00 0.00 174.62 173.61 1cf4 s ALA 59 N -1.21 0.05 -0.40 11.08 0.00 -1.26 -5.02 121.76 125.00 1cf4 s ALA 59 Ca 0.23 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 51.17 1cf4 s ALA 59 Cb -0.13 0.96 0.42 0.00 0.00 0.00 0.00 23.12 24.38 1cf4 s ALA 59 CO 0.13 -0.88 1.00 0.41 0.00 0.00 0.00 175.76 176.42 1cf4 n GLY 60 N -0.53 3.92 1.97 0.00 0.00 -1.26 -4.42 105.19 104.87 1cf4 n GLY 60 Ca -0.03 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 1cf4 n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 61 N -0.22 0.00 -0.34 0.99 4.32 -1.26 -4.77 117.00 115.72 1cf4 n LEU 61 Ca 0.25 -1.74 0.20 0.00 -0.02 0.00 0.00 56.01 54.70 1cf4 n LEU 61 Cb 0.70 0.22 0.42 0.00 -1.62 0.00 0.00 43.42 43.14 1cf4 n LEU 61 CO 0.30 -0.25 1.13 -0.33 -1.22 0.00 0.00 177.39 177.02 1cf4 h GLU 62 N 0.00 0.44 -0.38 3.23 3.07 -1.99 -1.17 114.58 117.77 1cf4 h GLU 62 Ca -0.23 -0.03 0.07 0.00 -0.50 0.00 0.00 59.36 58.67 1cf4 h GLU 62 Cb 0.69 -0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.42 1cf4 h GLU 62 CO 0.37 0.29 -0.43 -0.44 -1.40 0.00 0.00 179.01 177.40 1cf4 h ASP 63 N 0.45 -1.43 -0.66 1.42 3.32 -1.95 -3.41 116.42 114.16 1cf4 h ASP 63 Ca 0.68 0.21 0.05 0.00 0.02 0.00 0.00 57.03 58.00 1cf4 h ASP 63 Cb 1.42 0.62 -0.19 0.00 0.22 0.00 0.00 39.33 41.40 1cf4 h ASP 63 CO -0.54 -0.37 -0.27 -0.72 -1.72 0.00 0.00 179.24 175.61 1cf4 s TYR 64 N -5.85 -1.18 -1.34 4.55 -0.85 -0.49 -5.01 117.35 107.19 1cf4 s TYR 64 Ca -0.15 0.35 0.27 0.00 -0.52 0.00 0.00 57.07 57.03 1cf4 s TYR 64 Cb 0.11 0.21 0.93 0.00 0.38 0.00 0.00 41.96 43.59 1cf4 s TYR 64 CO 0.65 -0.76 1.69 -0.25 -1.52 0.00 0.00 175.55 175.36 1cf4 n ASP 65 N 4.50 0.48 0.07 -0.18 8.00 -0.92 -3.72 116.55 124.78 1cf4 n ASP 65 Ca 0.08 -0.32 0.10 0.00 0.71 0.00 0.00 54.79 55.36 1cf4 n ASP 65 Cb 0.58 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.62 1cf4 n ASP 65 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1cf4 n ARG 66 N -1.18 0.62 -0.80 -1.24 -4.01 -1.26 -4.87 116.66 103.92 1cf4 n ARG 66 Ca 0.10 0.06 -0.33 0.00 -1.04 0.00 0.00 57.85 56.64 1cf4 n ARG 66 Cb 0.32 -1.76 0.12 0.00 -3.04 0.00 0.00 32.46 28.10 1cf4 n ARG 66 CO 0.00 0.00 0.00 1.47 -3.04 0.00 0.00 177.63 176.06 1cf4 n LEU 67 N -2.61 -0.88 -2.66 2.89 -0.00 -1.24 -4.99 117.00 107.51 1cf4 n LEU 67 Ca -0.02 0.27 -0.03 0.00 -0.00 0.00 0.00 56.01 56.23 1cf4 n LEU 67 Cb 0.59 -1.14 0.11 0.00 -0.00 0.00 0.00 43.42 42.97 1cf4 n LEU 67 CO 0.42 -3.76 0.73 -1.14 -0.00 0.00 0.00 177.39 173.63 1cf4 n ARG 68 N -1.39 0.09 0.12 1.47 0.63 -1.26 -4.94 116.66 111.38 1cf4 n ARG 68 Ca 0.05 -0.62 0.05 0.00 -0.92 0.00 0.00 57.85 56.41 1cf4 n ARG 68 Cb 0.55 -0.10 0.01 0.00 0.45 0.00 0.00 32.46 33.37 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 2.37 0.00 0.00 -0.14 0.13 -1.99 -3.29 132.00 129.09 1cf4 h PRO 69 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1cf4 h PRO 69 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1cf4 h PRO 69 CO -0.08 0.26 0.00 1.47 -0.23 0.00 0.00 178.00 179.42 1cf4 n LEU 70 N -3.00 0.00 0.00 1.56 -0.00 -1.26 -3.71 117.00 110.59 1cf4 n LEU 70 Ca -0.01 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 1cf4 n LEU 70 Cb 0.69 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1cf4 n LEU 70 CO 0.40 -0.13 0.47 -1.54 -0.00 0.00 0.00 177.39 176.59 1cf4 n SER 71 N -1.31 0.00 -3.18 1.45 3.41 -1.24 -4.31 113.62 108.44 1cf4 n SER 71 Ca 0.08 0.94 -0.19 0.00 -0.26 0.00 0.00 58.87 59.43 1cf4 n SER 71 Cb 0.15 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 1cf4 n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cf4 n TYR 72 N -2.36 -0.01 -1.64 7.33 4.01 -1.26 -4.95 117.16 118.29 1cf4 n TYR 72 Ca 0.00 -3.73 -0.48 0.00 -0.16 0.00 0.00 57.90 53.53 1cf4 n TYR 72 Cb 0.00 -0.37 -0.05 0.00 -0.31 0.00 0.00 39.34 38.61 1cf4 n TYR 72 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cf4 n PRO 73 N 0.57 1.73 -0.12 -0.72 -0.02 -1.24 -4.86 135.00 130.33 1cf4 n PRO 73 Ca 0.24 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.38 1cf4 n PRO 73 Cb 0.63 -2.32 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1cf4 n PRO 73 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1cf4 n GLN 74 N 2.90 1.55 -0.59 -0.52 0.00 -1.26 -4.90 117.38 114.56 1cf4 n GLN 74 Ca 0.17 -0.83 -0.26 0.00 -0.00 0.00 0.00 57.00 56.08 1cf4 n GLN 74 Cb 0.25 -1.19 0.16 0.00 0.00 0.00 0.00 30.24 29.46 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1cf4 n THR 75 N 0.17 0.00 -0.02 1.69 5.66 -1.26 -4.97 114.28 115.55 1cf4 n THR 75 Ca 0.08 -0.15 -0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cf4 n THR 75 Cb 0.20 -0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 68.38 1cf4 n THR 75 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1cf4 n ASP 76 N -1.45 3.08 -3.86 1.09 2.03 -1.26 -4.90 116.55 111.27 1cf4 n ASP 76 Ca 0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.04 1cf4 n ASP 76 Cb 0.50 0.99 -0.15 0.00 -0.72 0.00 0.00 41.12 41.74 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1cf4 s VAL 77 N -2.36 1.53 0.92 5.18 0.11 -1.26 -4.02 120.40 120.50 1cf4 s VAL 77 Ca -0.04 -1.91 -0.14 0.00 -2.93 0.00 0.00 61.98 56.96 1cf4 s VAL 77 Cb 0.04 -2.14 0.17 0.00 -1.53 0.00 0.00 36.38 32.92 1cf4 s VAL 77 CO 0.33 -0.66 1.27 -0.36 -3.33 0.00 0.00 175.10 172.35 1cf4 s PHE 78 N 1.20 1.83 -0.24 1.54 0.08 -1.04 -4.87 117.98 116.49 1cf4 s PHE 78 Ca 0.11 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.51 1cf4 s PHE 78 Cb -0.19 -3.93 0.07 0.00 -0.57 0.00 0.00 43.02 38.39 1cf4 s PHE 78 CO -0.16 -2.43 -0.02 -1.17 -0.10 0.00 0.00 175.22 171.34 1cf4 s LEU 79 N -5.78 2.34 -0.20 -0.37 1.98 -1.26 -3.07 118.68 112.32 1cf4 s LEU 79 Ca 0.71 -1.18 -0.12 0.00 -2.89 0.00 0.00 54.13 50.65 1cf4 s LEU 79 Cb -0.05 -1.05 -0.05 0.00 0.66 0.00 0.00 46.19 45.70 1cf4 s LEU 79 CO 0.52 -0.27 0.23 0.68 -1.89 0.00 0.00 176.35 175.61 1cf4 s VAL 80 N 1.49 5.33 0.50 1.68 -7.23 -1.10 -3.68 120.40 117.39 1cf4 s VAL 80 Ca -0.03 0.38 0.08 0.00 -1.81 0.00 0.00 61.98 60.60 1cf4 s VAL 80 Cb -0.18 -3.57 0.05 0.00 0.56 0.00 0.00 36.38 33.24 1cf4 s VAL 80 CO -0.08 0.37 0.69 0.00 -0.31 0.00 0.00 175.10 175.76 1cf4 n PHE 82 N -2.06 -0.03 -3.61 0.00 -1.74 -1.26 -4.98 117.46 103.78 1cf4 n PHE 82 Ca 0.12 -0.23 -0.16 0.00 -0.56 0.00 0.00 57.45 56.62 1cf4 n PHE 82 Cb 0.60 0.10 -0.07 0.00 1.52 0.00 0.00 39.48 41.63 1cf4 n PHE 82 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1cf4 s SER 83 N -2.28 -0.48 0.20 5.98 1.04 -1.26 -4.89 113.70 112.00 1cf4 s SER 83 Ca 0.14 0.49 -0.10 0.00 0.48 0.00 0.00 55.95 56.96 1cf4 s SER 83 Cb -0.00 0.46 0.14 0.00 0.10 0.00 0.00 66.02 66.72 1cf4 s SER 83 CO -0.01 -0.55 1.81 0.58 0.98 0.00 0.00 173.24 176.06 1cf4 h VAL 84 N 3.33 1.23 -2.13 5.02 2.07 -1.91 -3.42 116.25 120.44 1cf4 h VAL 84 Ca -0.28 -0.58 -0.57 0.00 0.82 0.00 0.00 66.70 66.10 1cf4 h VAL 84 Cb 1.15 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1cf4 h VAL 84 CO 0.39 0.25 1.37 1.33 0.02 0.00 0.00 177.57 180.93 1cf4 n VAL 85 N -4.46 0.54 -3.58 2.57 0.24 -1.26 -2.01 118.33 110.37 1cf4 n VAL 85 Ca 0.06 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 61.97 1cf4 n VAL 85 Cb 0.10 -2.42 -0.09 0.00 -1.47 0.00 0.00 33.84 29.95 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1cf4 s SER 86 N 6.48 -0.15 -0.80 -1.34 0.15 -1.26 -5.00 113.70 111.78 1cf4 s SER 86 Ca 0.96 0.80 -0.03 0.00 0.70 0.00 0.00 55.95 58.38 1cf4 s SER 86 Cb -0.40 1.30 0.17 0.00 -1.71 0.00 0.00 66.02 65.39 1cf4 s SER 86 CO 0.39 -0.25 2.40 -0.81 1.20 0.00 0.00 173.24 176.17 1cf4 n PRO 87 N 5.39 3.32 -1.89 5.44 -0.04 -1.26 -4.26 135.00 141.69 1cf4 n PRO 87 Ca -0.07 -3.15 0.00 0.00 -0.04 0.00 0.00 63.50 60.24 1cf4 n PRO 87 Cb 0.50 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 0.59 -0.95 0.02 3.54 2.88 -1.26 -4.34 113.62 114.09 1cf4 n SER 88 Ca 0.53 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 1cf4 n SER 88 Cb 0.38 -0.47 -0.09 0.00 -0.75 0.00 0.00 64.21 63.27 1cf4 n SER 88 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1cf4 n SER 89 N 1.88 0.44 -0.32 -3.46 7.64 -1.26 -4.40 113.62 114.14 1cf4 n SER 89 Ca 0.00 -0.19 0.22 0.00 1.01 0.00 0.00 58.87 59.91 1cf4 n SER 89 Cb 0.47 1.32 0.43 0.00 -1.01 0.00 0.00 64.21 65.42 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1cf4 h PHE 90 N 0.00 0.62 -0.29 1.43 3.04 -1.92 1.15 116.94 120.97 1cf4 h PHE 90 Ca 0.00 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 1cf4 h PHE 90 Cb 0.84 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 1cf4 h PHE 90 CO 0.00 -0.29 -0.00 1.05 -2.02 0.00 0.00 178.31 177.05 1cf4 h GLU 91 N 0.18 0.43 0.07 1.11 4.11 -2.01 -2.40 114.58 116.07 1cf4 h GLU 91 Ca 0.69 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 60.04 1cf4 h GLU 91 Cb 1.59 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1cf4 h GLU 91 CO -0.70 0.46 -0.03 -0.91 0.07 0.00 0.00 179.01 177.90 1cf4 h ASN 92 N 0.42 -0.08 -0.78 3.06 4.21 0.10 -2.65 115.58 119.86 1cf4 h ASN 92 Ca 0.09 -0.53 0.17 0.00 1.21 0.00 0.00 56.30 57.24 1cf4 h ASN 92 Cb 0.28 0.02 -0.11 0.00 -1.12 0.00 0.00 38.32 37.39 1cf4 h ASN 92 CO 0.01 0.59 0.27 -0.37 -1.29 0.00 0.00 177.43 176.63 1cf4 h VAL 93 N -0.86 0.55 -0.01 2.81 -1.51 -1.05 1.17 116.25 117.35 1cf4 h VAL 93 Ca -0.01 -0.12 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1cf4 h VAL 93 Cb 0.61 0.16 -0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1cf4 h VAL 93 CO 0.02 0.07 0.00 0.50 -1.23 0.00 0.00 177.57 176.92 1cf4 h LYS 94 N 0.36 0.03 -0.07 5.19 3.11 -1.52 0.12 116.57 123.78 1cf4 h LYS 94 Ca 0.45 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1cf4 h LYS 94 Cb 0.76 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1cf4 h LYS 94 CO -0.48 0.29 0.00 0.39 -2.81 0.00 0.00 179.45 176.84 1cf4 n GLU 95 N -4.94 1.21 -0.02 1.90 1.02 -0.60 -2.39 120.64 116.82 1cf4 n GLU 95 Ca -0.08 -0.32 -0.01 0.00 -0.02 0.00 0.00 57.16 56.73 1cf4 n GLU 95 Cb 0.16 -1.19 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 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 -0.35 2.41 -0.12 3.49 4.81 0.39 -4.60 118.16 124.19 1cf4 n LYS 96 Ca 0.08 -0.01 -0.25 0.00 -0.87 0.00 0.00 58.31 57.26 1cf4 n LYS 96 Cb 0.11 -1.12 -0.11 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.04 0.57 -0.23 5.64 5.03 0.40 -3.65 117.44 123.16 1cf4 n TRP 97 Ca -0.06 0.25 0.03 0.00 3.03 0.00 0.00 57.50 60.75 1cf4 n TRP 97 Cb 0.52 -1.05 0.15 0.00 -1.03 0.00 0.00 31.31 29.89 1cf4 n TRP 97 CO 0.00 0.00 0.00 0.28 -0.03 0.00 0.00 177.69 177.94 1cf4 h VAL 98 N -1.00 0.60 0.00 -0.99 2.07 -1.66 0.22 116.25 115.49 1cf4 h VAL 98 Ca -0.50 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1cf4 h VAL 98 Cb 1.43 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1cf4 h VAL 98 CO -0.30 0.05 -0.06 -0.81 0.02 0.00 0.00 177.57 176.47 1cf4 n PRO 99 N -5.11 0.07 -0.08 1.57 -0.04 -1.26 -3.09 135.00 127.05 1cf4 n PRO 99 Ca 0.12 0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.53 1cf4 n PRO 99 Cb 0.38 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1cf4 n PRO 99 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cf4 n GLU 100 N -1.69 0.49 0.17 0.54 2.13 -0.05 -2.62 120.64 119.61 1cf4 n GLU 100 Ca 0.06 0.54 0.15 0.00 0.66 0.00 0.00 57.16 58.57 1cf4 n GLU 100 Cb 0.36 -1.70 0.75 0.00 0.27 0.00 0.00 31.44 31.12 1cf4 n GLU 100 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1cf4 h ILE 101 N -1.00 0.68 0.00 6.31 2.10 -0.81 -0.36 117.51 124.44 1cf4 h ILE 101 Ca -0.11 0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.58 1cf4 h ILE 101 Cb 0.76 0.87 -0.04 0.00 -1.09 0.00 0.00 36.82 37.31 1cf4 h ILE 101 CO -0.07 0.00 -1.41 0.71 -1.08 0.00 0.00 178.15 176.30 1cf4 h THR 102 N 0.00 1.13 0.39 2.19 1.35 -1.66 -3.15 112.91 113.16 1cf4 h THR 102 Ca 0.10 -2.91 -0.01 0.00 -0.55 0.00 0.00 66.41 63.04 1cf4 h THR 102 Cb 0.46 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.42 1cf4 h THR 102 CO -0.00 0.65 -0.25 -0.74 -0.25 0.00 0.00 175.52 174.93 1cf4 h HIS 103 N 0.00 -0.65 -0.52 4.73 2.76 -0.82 -2.96 115.15 117.68 1cf4 h HIS 103 Ca -0.17 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 57.92 1cf4 h HIS 103 Cb 1.89 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 31.07 1cf4 h HIS 103 CO 0.00 -0.38 0.06 0.45 -1.30 0.00 0.00 177.93 176.75 1cf4 h HIS 104 N -0.62 0.95 -3.24 5.26 -0.00 -1.65 -3.42 115.15 112.43 1cf4 h HIS 104 Ca -0.04 -0.14 -0.58 0.00 -0.00 0.00 0.00 60.37 59.61 1cf4 h HIS 104 Cb 0.51 -0.26 -0.35 0.00 -0.00 0.00 0.00 27.41 27.32 1cf4 h HIS 104 CO -0.10 0.86 -0.83 0.00 -0.00 0.00 0.00 177.93 177.86 1cf4 n PRO 106 N 4.38 0.29 -2.47 0.00 -0.02 -1.18 -3.53 135.00 132.46 1cf4 n PRO 106 Ca -0.18 -0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 60.77 1cf4 n PRO 106 Cb 0.51 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1cf4 n PRO 106 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cf4 n LYS 107 N 7.26 -3.39 -4.84 -0.52 0.00 -1.25 -5.04 118.16 110.38 1cf4 n LYS 107 Ca 0.54 2.70 -0.32 0.00 0.00 0.00 0.00 58.31 61.23 1cf4 n LYS 107 Cb 0.31 -4.58 -0.17 0.00 0.00 0.00 0.00 35.03 30.59 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1cf4 s THR 108 N -1.00 2.12 1.39 3.15 2.01 -1.23 -5.02 115.64 117.06 1cf4 s THR 108 Ca -0.11 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.70 1cf4 s THR 108 Cb 0.01 -1.83 0.36 0.00 0.01 0.00 0.00 72.50 71.04 1cf4 s THR 108 CO 0.67 0.55 0.93 -2.84 -0.69 0.00 0.00 174.62 173.24 1cf4 s PRO 109 N 0.65 -2.71 0.22 4.92 0.02 -1.26 -4.80 135.00 132.04 1cf4 s PRO 109 Ca -0.11 0.30 -0.21 0.00 0.02 0.00 0.00 61.00 60.99 1cf4 s PRO 109 Cb -0.16 -1.39 0.07 0.00 0.02 0.00 0.00 34.50 33.04 1cf4 s PRO 109 CO 0.02 -4.77 0.96 -0.59 -0.33 0.00 0.00 177.00 172.29 1cf4 s PHE 110 N -2.25 0.02 -0.01 6.54 -0.12 -1.26 -2.49 117.98 118.42 1cf4 s PHE 110 Ca 0.68 -0.46 0.00 0.00 -0.05 0.00 0.00 56.93 57.11 1cf4 s PHE 110 Cb -0.16 0.72 0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1cf4 s PHE 110 CO 0.60 -1.04 0.01 -1.17 -0.05 0.00 0.00 175.22 173.56 1cf4 s LEU 111 N -3.21 1.49 0.04 -1.99 0.20 -1.17 -2.75 118.68 111.28 1cf4 s LEU 111 Ca 0.18 0.01 -0.19 0.00 0.69 0.00 0.00 54.13 54.82 1cf4 s LEU 111 Cb -0.03 -0.07 -0.06 0.00 -0.43 0.00 0.00 46.19 45.60 1cf4 s LEU 111 CO 0.06 -0.07 0.55 -0.76 -0.29 0.00 0.00 176.35 175.84 1cf4 s LEU 112 N 0.59 4.49 0.05 -0.68 2.01 -1.24 -2.70 118.68 121.20 1cf4 s LEU 112 Ca -0.05 1.19 0.05 0.00 0.01 0.00 0.00 54.13 55.32 1cf4 s LEU 112 Cb -0.07 -2.86 -0.02 0.00 0.01 0.00 0.00 46.19 43.24 1cf4 s LEU 112 CO -0.02 0.23 -0.14 -0.69 1.01 0.00 0.00 176.35 176.75 1cf4 s VAL 113 N -0.83 1.10 -0.02 -1.59 1.01 -1.26 -3.59 120.40 115.21 1cf4 s VAL 113 Ca 0.29 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1cf4 s VAL 113 Cb -0.19 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1cf4 s VAL 113 CO 0.18 -0.10 -0.12 -0.83 0.00 0.00 0.00 175.10 174.22 1cf4 s GLY 114 N -1.39 1.61 0.37 4.51 0.00 -1.24 -4.61 107.32 106.57 1cf4 s GLY 114 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1cf4 s GLY 114 CO 0.02 -0.85 0.00 -1.30 0.00 0.00 0.00 173.10 170.96 1cf4 n THR 115 N 1.94 0.00 0.34 0.90 -2.24 -1.10 -2.90 114.28 111.22 1cf4 n THR 115 Ca -0.17 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 61.84 1cf4 n THR 115 Cb 0.52 -0.13 1.20 0.00 -2.10 0.00 0.00 70.33 69.82 1cf4 n THR 115 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1cf4 h GLN 116 N 0.00 0.00 -1.76 -0.78 1.08 -1.90 -2.93 115.11 108.81 1cf4 h GLN 116 Ca 0.00 0.00 0.51 0.00 -1.45 0.00 0.00 58.65 57.71 1cf4 h GLN 116 Cb 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 1cf4 h GLN 116 CO 0.00 0.00 1.35 -0.84 -0.95 0.00 0.00 178.83 178.39 1cf4 h ILE 117 N 0.00 0.03 -0.49 2.54 -2.65 -1.90 0.78 117.51 115.82 1cf4 h ILE 117 Ca -0.00 0.00 -0.07 0.00 1.03 0.00 0.00 64.86 65.82 1cf4 h ILE 117 Cb 0.01 0.03 -0.02 0.00 -2.05 0.00 0.00 36.82 34.79 1cf4 h ILE 117 CO 0.00 0.00 0.02 -0.78 0.03 0.00 0.00 178.15 177.42 1cf4 h ASP 118 N 0.00 0.84 0.02 2.16 3.58 -1.86 -3.03 116.42 118.13 1cf4 h ASP 118 Ca 0.84 -0.29 -0.32 0.00 0.42 0.00 0.00 57.03 57.67 1cf4 h ASP 118 Cb 3.53 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 44.32 1cf4 h ASP 118 CO -0.01 0.92 -1.75 0.00 -2.88 0.00 0.00 179.24 175.52 1cf4 n LEU 119 N -4.35 2.05 -0.11 2.28 -0.00 0.25 -4.19 117.00 112.93 1cf4 n LEU 119 Ca 0.01 0.34 0.27 0.00 -0.00 0.00 0.00 56.01 56.63 1cf4 n LEU 119 Cb 0.30 -0.95 0.67 0.00 -0.00 0.00 0.00 43.42 43.44 1cf4 n LEU 119 CO 0.42 0.46 1.25 0.03 -0.00 0.00 0.00 177.39 179.55 1cf4 h ARG 120 N -0.81 0.00 -0.02 1.47 2.47 -1.13 0.69 114.38 117.05 1cf4 h ARG 120 Ca -0.46 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.26 1cf4 h ARG 120 Cb 1.51 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.83 1cf4 h ARG 120 CO -0.22 0.00 0.10 0.22 0.56 0.00 0.00 179.97 180.63 1cf4 h ASP 121 N 0.00 0.00 -4.17 7.04 3.58 -1.69 -3.41 116.42 117.77 1cf4 h ASP 121 Ca 0.38 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.30 1cf4 h ASP 121 Cb 1.92 0.00 0.14 0.00 1.72 0.00 0.00 39.33 43.10 1cf4 h ASP 121 CO -0.00 0.00 0.40 -0.62 -2.88 0.00 0.00 179.24 176.14 1cf4 s ASP 122 N -5.13 4.59 0.00 2.28 -1.08 0.24 -4.92 116.67 112.64 1cf4 s ASP 122 Ca -0.05 2.28 0.31 0.00 -0.52 0.00 0.00 52.55 54.57 1cf4 s ASP 122 Cb 0.12 -2.58 1.62 0.00 -1.46 0.00 0.00 42.92 40.62 1cf4 s ASP 122 CO 0.40 -2.00 2.08 -0.81 0.52 0.00 0.00 175.17 175.37 1cf4 n PRO 123 N -2.44 0.80 -0.00 4.34 -0.05 -1.26 -3.51 135.00 132.87 1cf4 n PRO 123 Ca 0.13 -0.10 -0.00 0.00 -0.05 0.00 0.00 63.50 63.48 1cf4 n PRO 123 Cb 0.50 -1.50 -0.00 0.00 -0.05 0.00 0.00 33.50 32.46 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1cf4 h SER 124 N 0.23 0.00 -0.91 3.54 0.87 -1.91 -2.96 113.55 112.41 1cf4 h SER 124 Ca 0.00 0.00 0.22 0.00 -1.23 0.00 0.00 61.79 60.78 1cf4 h SER 124 Cb 0.18 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 1cf4 h SER 124 CO 0.00 0.00 0.61 0.74 -0.53 0.00 0.00 176.83 177.66 1cf4 h THR 125 N -0.00 0.63 -0.74 2.23 2.02 -1.89 0.61 112.91 115.77 1cf4 h THR 125 Ca 0.00 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1cf4 h THR 125 Cb 0.00 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.67 1cf4 h THR 125 CO 0.00 0.05 0.47 -0.29 0.37 0.00 0.00 175.52 176.12 1cf4 h ILE 126 N 0.30 1.10 -0.67 3.11 6.09 -1.70 -0.15 117.51 125.59 1cf4 h ILE 126 Ca 0.47 -0.31 0.07 0.00 -1.37 0.00 0.00 64.86 63.72 1cf4 h ILE 126 Cb 1.34 0.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.70 1cf4 h ILE 126 CO -0.14 0.17 0.44 -0.33 -3.07 0.00 0.00 178.15 175.21 1cf4 h GLU 127 N 0.91 0.62 -0.20 2.19 4.39 0.41 0.42 114.58 123.32 1cf4 h GLU 127 Ca 0.30 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1cf4 h GLU 127 Cb 0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1cf4 h GLU 127 CO -0.11 0.41 -0.18 0.87 -1.16 0.00 0.00 179.01 178.84 1cf4 h LYS 128 N 0.64 0.35 -0.10 2.33 6.56 -0.76 -1.85 116.57 123.74 1cf4 h LYS 128 Ca 0.29 -0.10 -0.20 0.00 -1.06 0.00 0.00 60.65 59.58 1cf4 h LYS 128 Cb 0.33 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1cf4 h LYS 128 CO -0.09 0.52 -0.76 -0.07 -2.06 0.00 0.00 179.45 176.99 1cf4 h LEU 129 N 0.32 0.63 -1.59 2.94 3.38 0.11 -3.07 115.31 118.03 1cf4 h LEU 129 Ca 0.06 -0.42 0.28 0.00 0.09 0.00 0.00 57.88 57.89 1cf4 h LEU 129 Cb 0.50 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1cf4 h LEU 129 CO 0.03 1.18 0.71 0.00 0.09 0.00 0.00 178.44 180.45 1cf4 h ALA 130 N 0.80 2.51 -1.18 1.53 0.00 0.49 1.35 119.26 124.77 1cf4 h ALA 130 Ca -0.04 0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1cf4 h ALA 130 Cb 1.36 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1cf4 h ALA 130 CO 0.14 -0.88 0.81 0.87 0.00 0.00 0.00 179.25 180.19 1cf4 h LYS 131 N 0.26 0.14 0.00 0.00 1.79 -1.42 -3.01 116.57 114.33 1cf4 h LYS 131 Ca 0.56 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.02 1cf4 h LYS 131 Cb 1.69 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1cf4 h LYS 131 CO -0.19 0.09 -0.84 0.09 -1.08 0.00 0.00 179.45 177.52 1cf4 n ASN 132 N -4.37 4.12 0.00 0.86 3.02 0.73 -5.08 115.26 114.53 1cf4 n ASN 132 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1cf4 n ASN 132 Cb 1.16 0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.70 1cf4 n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1cf4 n LYS 133 N -1.84 0.00 0.00 3.52 4.76 0.43 -4.64 118.16 120.39 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cf4 n LYS 133 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cf4 n GLN 134 N 0.00 0.00 -2.03 1.97 10.64 -1.13 -4.02 117.38 122.82 1cf4 n GLN 134 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1cf4 n GLN 134 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1cf4 n GLN 134 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1cf4 s LYS 135 N 0.00 3.44 -0.03 2.61 1.02 -1.26 -4.80 119.74 120.72 1cf4 s LYS 135 Ca 0.00 1.47 -0.27 0.00 0.02 0.00 0.00 55.97 57.19 1cf4 s LYS 135 Cb 0.00 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 33.11 1cf4 s LYS 135 CO 0.00 -1.73 0.86 -1.25 -0.92 0.00 0.00 175.35 172.31 1cf4 s PRO 136 N 5.44 4.51 -0.62 -1.68 0.04 -1.26 -4.58 135.00 136.85 1cf4 s PRO 136 Ca 0.78 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1cf4 s PRO 136 Cb -0.23 -3.45 -0.08 0.00 0.04 0.00 0.00 34.50 30.78 1cf4 s PRO 136 CO 0.33 0.01 2.29 0.42 0.04 0.00 0.00 177.00 180.09 1cf4 s ILE 137 N 0.89 3.10 0.71 0.56 -1.09 -0.85 -4.93 121.20 119.58 1cf4 s ILE 137 Ca 0.46 0.00 -0.14 0.00 -2.23 0.00 0.00 60.65 58.74 1cf4 s ILE 137 Cb -0.20 -3.24 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1cf4 s ILE 137 CO 0.24 -0.23 1.13 0.42 -1.23 0.00 0.00 174.94 175.26 1cf4 s THR 138 N 12.20 2.99 0.62 2.92 -4.23 -1.26 -4.50 115.64 124.39 1cf4 s THR 138 Ca 0.89 0.43 0.28 0.00 -1.18 0.00 0.00 61.69 62.11 1cf4 s THR 138 Cb -0.14 -2.92 0.33 0.00 1.34 0.00 0.00 72.50 71.11 1cf4 s THR 138 CO 0.19 -0.32 1.84 1.55 -0.54 0.00 0.00 174.62 177.34 1cf4 h PRO 139 N -0.38 0.00 0.00 3.99 0.13 -1.99 0.65 132.00 134.40 1cf4 h PRO 139 Ca -0.46 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 1cf4 h PRO 139 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1cf4 h PRO 139 CO 0.52 0.00 -1.13 0.93 -0.23 0.00 0.00 178.00 178.09 1cf4 h GLU 140 N 0.00 0.00 0.58 0.86 4.39 -1.95 -3.31 114.58 115.15 1cf4 h GLU 140 Ca 0.13 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1cf4 h GLU 140 Cb 1.07 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1cf4 h GLU 140 CO -0.00 0.45 -0.28 1.15 -1.16 0.00 0.00 179.01 179.17 1cf4 h THR 141 N 0.00 0.36 -0.93 1.13 2.02 -0.00 -2.22 112.91 113.27 1cf4 h THR 141 Ca -0.11 -0.24 0.18 0.00 0.77 0.00 0.00 66.41 67.01 1cf4 h THR 141 Cb 1.59 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 68.36 1cf4 h THR 141 CO 0.06 0.03 0.60 0.00 0.37 0.00 0.00 175.52 176.58 1cf4 h ALA 142 N -0.63 1.95 -0.45 6.16 0.00 -1.68 0.18 119.26 124.79 1cf4 h ALA 142 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1cf4 h ALA 142 Cb 0.65 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1cf4 h ALA 142 CO 0.13 -0.24 0.05 1.49 0.00 0.00 0.00 179.25 180.68 1cf4 h GLU 143 N 0.60 0.71 0.59 0.00 4.81 -1.60 0.21 114.58 119.89 1cf4 h GLU 143 Ca 0.49 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1cf4 h GLU 143 Cb 0.95 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.24 1cf4 h GLU 143 CO -0.24 0.69 -0.28 0.87 -0.73 0.00 0.00 179.01 179.31 1cf4 h LYS 144 N 0.68 -0.76 -0.46 1.92 1.79 -0.01 -1.34 116.57 118.38 1cf4 h LYS 144 Ca 0.14 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.59 1cf4 h LYS 144 Cb 0.34 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1cf4 h LYS 144 CO 0.01 -0.46 -0.01 1.25 -1.08 0.00 0.00 179.45 179.16 1cf4 h LEU 145 N -0.95 0.73 -0.03 2.94 5.85 -1.41 -1.07 115.31 121.37 1cf4 h LEU 145 Ca -0.08 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1cf4 h LEU 145 Cb 0.66 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1cf4 h LEU 145 CO 0.13 0.81 -0.08 0.00 -0.34 0.00 0.00 178.44 178.96 1cf4 h ALA 146 N 1.28 -0.06 0.00 1.25 0.00 -0.52 -1.99 119.26 119.22 1cf4 h ALA 146 Ca 0.14 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1cf4 h ALA 146 Cb 0.45 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1cf4 h ALA 146 CO 0.02 -0.57 -0.26 0.00 0.00 0.00 0.00 179.25 178.44 1cf4 h ARG 147 N -0.13 0.00 -0.92 0.00 3.08 -1.12 -2.08 114.38 113.21 1cf4 h ARG 147 Ca 0.04 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.28 1cf4 h ARG 147 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.13 1cf4 h ARG 147 CO -0.11 0.26 0.48 0.22 -1.07 0.00 0.00 179.97 179.75 1cf4 h ASP 148 N 0.00 0.54 -0.62 7.04 1.82 -0.40 0.25 116.42 125.05 1cf4 h ASP 148 Ca -0.00 0.12 -0.21 0.00 -0.39 0.00 0.00 57.03 56.55 1cf4 h ASP 148 Cb 0.78 0.04 -0.13 0.00 0.68 0.00 0.00 39.33 40.71 1cf4 h ASP 148 CO 0.03 0.15 0.21 0.18 -1.61 0.00 0.00 179.24 178.20 1cf4 n LEU 149 N -4.90 5.46 -4.18 2.28 4.32 -1.18 -4.93 117.00 113.87 1cf4 n LEU 149 Ca 0.21 -3.34 -0.36 0.00 -0.02 0.00 0.00 56.01 52.51 1cf4 n LEU 149 Cb 0.57 -0.70 -0.04 0.00 -1.62 0.00 0.00 43.42 41.63 1cf4 n LEU 149 CO 0.18 0.90 -0.06 2.29 -1.22 0.00 0.00 177.39 179.48 1cf4 n LYS 150 N -0.51 -2.53 0.00 3.23 0.00 0.88 -4.89 118.16 114.35 1cf4 n LYS 150 Ca 0.39 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 1cf4 n LYS 150 Cb 1.28 -4.99 0.00 0.00 -0.00 0.00 0.00 35.03 31.32 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cf4 n ALA 151 N -4.15 0.00 -0.50 0.58 0.00 -0.79 -4.90 120.51 110.74 1cf4 n ALA 151 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1cf4 n ALA 151 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.45 0.00 0.00 0.00 0.31 -1.11 -4.40 118.33 112.68 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 -1.75 0.00 -3.53 5.55 4.81 -1.26 -4.87 118.16 117.12 1cf4 n LYS 153 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1cf4 n LYS 153 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1cf4 n LYS 153 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1cf4 s TYR 154 N -1.61 3.23 0.52 5.64 6.14 -1.26 -3.74 117.35 126.28 1cf4 s TYR 154 Ca 0.00 -0.40 0.09 0.00 0.64 0.00 0.00 57.07 57.39 1cf4 s TYR 154 Cb 0.00 -2.49 0.05 0.00 0.42 0.00 0.00 41.96 39.94 1cf4 s TYR 154 CO 0.00 -0.45 0.66 0.08 0.64 0.00 0.00 175.55 176.48 1cf4 s VAL 155 N 1.69 2.35 0.18 3.14 1.01 -1.24 -4.81 120.40 122.72 1cf4 s VAL 155 Ca 0.05 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 1cf4 s VAL 155 Cb -0.18 -2.43 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 1cf4 s VAL 155 CO 0.10 0.00 0.61 -1.61 0.00 0.00 0.00 175.10 174.19 1cf4 s GLU 156 N -4.50 4.05 -0.16 2.72 8.01 -1.26 -3.60 118.70 123.95 1cf4 s GLU 156 Ca 0.56 0.60 -0.30 0.00 0.01 0.00 0.00 54.97 55.84 1cf4 s GLU 156 Cb -0.06 -2.89 0.13 0.00 -4.31 0.00 0.00 34.13 27.00 1cf4 s GLU 156 CO 0.35 0.44 1.03 0.00 0.01 0.00 0.00 175.26 177.08 1cf4 s SER 158 N -1.25 -1.07 -0.16 0.00 0.15 -1.25 -2.71 113.70 107.41 1cf4 s SER 158 Ca 0.00 1.54 0.09 0.00 0.70 0.00 0.00 55.95 58.28 1cf4 s SER 158 Cb -0.01 1.98 0.52 0.00 -1.71 0.00 0.00 66.02 66.81 1cf4 s SER 158 CO -0.00 -0.22 1.32 0.00 1.20 0.00 0.00 173.24 175.53 1cf4 n ALA 159 N 5.05 3.46 0.00 5.45 0.00 -1.26 -1.73 120.51 131.48 1cf4 n ALA 159 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1cf4 n ALA 159 Cb 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1cf4 n ALA 159 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cf4 n LEU 160 N 0.35 0.75 -0.01 0.00 4.32 -1.26 -4.79 117.00 116.36 1cf4 n LEU 160 Ca 0.19 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.25 1cf4 n LEU 160 Cb 0.88 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.57 1cf4 n LEU 160 CO 0.22 0.01 -0.64 1.07 -1.22 0.00 0.00 177.39 176.83 1cf4 n THR 161 N -2.24 0.00 -1.64 -5.08 5.66 -1.26 -5.06 114.28 104.66 1cf4 n THR 161 Ca 0.00 -0.32 -0.01 0.00 -3.05 0.00 0.00 64.05 60.68 1cf4 n THR 161 Cb 0.21 0.22 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1cf4 n THR 161 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1cf4 n GLN 162 N -1.96 -0.21 -1.00 1.09 7.27 -0.70 -4.96 117.38 116.91 1cf4 n GLN 162 Ca -0.02 0.65 -0.20 0.00 0.07 0.00 0.00 57.00 57.50 1cf4 n GLN 162 Cb 0.36 -1.91 0.14 0.00 2.41 0.00 0.00 30.24 31.25 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 -0.61 2.02 0.00 3.69 3.00 -1.22 -4.83 118.16 120.20 1cf4 n LYS 163 Ca 0.01 -2.44 0.00 0.00 -0.00 0.00 0.00 58.31 55.88 1cf4 n LYS 163 Cb 0.15 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.22 1cf4 n LYS 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1cf4 n GLY 164 N -0.83 3.01 5.12 3.14 0.00 -1.26 -3.13 105.19 111.24 1cf4 n GLY 164 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.02 0.99 0.00 -1.25 -3.83 117.00 112.92 1cf4 n LEU 165 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 56.01 56.14 1cf4 n LEU 165 Cb 0.00 0.00 0.58 0.00 0.00 0.00 0.00 43.42 44.00 1cf4 n LEU 165 CO 0.00 0.00 1.16 0.11 0.00 0.00 0.00 177.39 178.66 1cf4 h LYS 166 N 0.00 0.21 0.00 1.96 1.57 -1.92 -2.27 116.57 116.12 1cf4 h LYS 166 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1cf4 h LYS 166 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1cf4 h LYS 166 CO 0.00 0.14 0.00 -1.71 -0.57 0.00 0.00 179.45 177.31 1cf4 n ASN 167 N -4.46 0.00 -0.11 0.86 4.05 -1.25 0.17 115.26 114.52 1cf4 n ASN 167 Ca 0.07 0.91 -0.06 0.00 0.45 0.00 0.00 54.58 55.95 1cf4 n ASN 167 Cb 0.36 -0.41 0.02 0.00 1.23 0.00 0.00 39.78 40.97 1cf4 n ASN 167 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 177.26 175.83 1cf4 h VAL 168 N 0.00 0.91 0.00 3.44 3.04 -1.61 -0.63 116.25 121.40 1cf4 h VAL 168 Ca 0.00 -0.10 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1cf4 h VAL 168 Cb 0.00 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1cf4 h VAL 168 CO 0.00 0.05 -0.07 0.15 -1.01 0.00 0.00 177.57 176.70 1cf4 h PHE 169 N 0.30 0.00 0.00 3.17 3.57 -1.35 -0.04 116.94 122.59 1cf4 h PHE 169 Ca 0.17 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1cf4 h PHE 169 Cb 0.13 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1cf4 h PHE 169 CO -0.14 0.07 -0.57 0.22 -2.23 0.00 0.00 178.31 175.66 1cf4 h ASP 170 N 0.00 0.00 0.69 0.41 3.58 0.32 -2.62 116.42 118.81 1cf4 h ASP 170 Ca -0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1cf4 h ASP 170 Cb 0.17 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1cf4 h ASP 170 CO 0.01 0.57 -0.67 -0.08 -2.88 0.00 0.00 179.24 176.19 1cf4 h GLU 171 N 0.00 0.00 -0.02 0.28 4.57 -0.45 -0.11 114.58 118.86 1cf4 h GLU 171 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1cf4 h GLU 171 Cb 1.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1cf4 h GLU 171 CO 0.07 0.67 -0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1cf4 h ALA 172 N 1.33 0.02 -0.06 2.92 0.00 -1.10 -3.14 119.26 119.24 1cf4 h ALA 172 Ca -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1cf4 h ALA 172 Cb 1.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cf4 h ALA 172 CO 0.09 -0.28 -0.64 -0.84 0.00 0.00 0.00 179.25 177.58 1cf4 h ILE 173 N -0.33 1.40 -0.86 0.00 -0.00 -1.50 -3.20 117.51 113.02 1cf4 h ILE 173 Ca 0.00 -2.07 0.22 0.00 -0.00 0.00 0.00 64.86 63.02 1cf4 h ILE 173 Cb 0.38 2.07 -0.14 0.00 -0.00 0.00 0.00 36.82 39.13 1cf4 h ILE 173 CO 0.00 0.61 0.24 0.25 -0.00 0.00 0.00 178.15 179.25 1cf4 h LEU 174 N 0.16 0.03 -2.32 0.16 5.85 -0.96 1.23 115.31 119.45 1cf4 h LEU 174 Ca -0.01 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1cf4 h LEU 174 Cb 1.16 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 1cf4 h LEU 174 CO 0.10 -0.13 0.18 0.00 -0.34 0.00 0.00 178.44 178.25 1cf4 h ALA 175 N 1.76 1.63 0.01 1.25 0.00 -1.54 -0.78 119.26 121.59 1cf4 h ALA 175 Ca 0.54 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.11 1cf4 h ALA 175 Cb 1.06 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1cf4 h ALA 175 CO -0.63 -0.24 -2.07 0.00 0.00 0.00 0.00 179.25 176.31 1cf4 n ALA 176 N -2.25 1.44 0.22 0.00 0.00 0.40 -4.15 120.51 116.16 1cf4 n ALA 176 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 53.44 52.52 1cf4 n ALA 176 Cb 0.28 -0.51 0.51 0.00 0.00 0.00 0.00 19.45 19.73 1cf4 n ALA 176 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cf4 h LEU 177 N 0.01 0.00 0.00 0.00 5.85 0.52 -3.41 115.31 118.27 1cf4 h LEU 177 Ca -0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1cf4 h LEU 177 Cb 2.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.13 1cf4 h LEU 177 CO 0.05 0.25 0.00 1.21 -0.34 0.00 0.00 178.44 179.61 1cf4 n GLU 178 N -3.68 0.00 -1.55 1.25 2.13 -0.44 -4.82 120.64 113.53 1cf4 n GLU 178 Ca -0.01 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.38 1cf4 n GLU 178 Cb 0.37 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.04 1cf4 n GLU 178 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1cf4 n PRO 179 N -0.44 1.53 -1.94 5.31 -0.04 -1.26 -4.27 135.00 133.89 1cf4 n PRO 179 Ca 0.00 0.35 -0.29 0.00 -0.04 0.00 0.00 63.50 63.53 1cf4 n PRO 179 Cb 0.00 -3.07 0.11 0.00 -0.04 0.00 0.00 33.50 30.50 1cf4 n PRO 179 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1cf4 s PRO 180 N 6.81 1.68 -0.06 0.54 0.04 -1.26 -5.09 135.00 137.66 1cf4 s PRO 180 Ca 1.03 -0.05 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1cf4 s PRO 180 Cb -0.44 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 1cf4 s PRO 180 CO 0.37 -1.75 -0.13 -1.83 0.04 0.00 0.00 177.00 173.69 1cf4 s GLU 181 N -5.62 2.57 0.00 4.56 -1.05 -1.26 -5.13 118.70 112.77 1cf4 s GLU 181 Ca 0.65 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.79 1cf4 s GLU 181 Cb -0.09 -2.42 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1cf4 s GLU 181 CO 0.50 0.61 0.00 -0.35 0.95 0.00 0.00 175.26 176.97 1cf4 n PRO 182 N 2.35 0.29 -3.53 -4.83 -0.04 -1.26 -5.06 135.00 122.92 1cf4 n PRO 182 Ca -0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.01 1cf4 n PRO 182 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.58 1.31 0.00 0.54 1.02 -1.26 -5.21 119.74 114.56 1cf4 s LYS 183 Ca 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 55.97 53.56 1cf4 s LYS 183 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1cf4 s LYS 183 CO 0.00 -1.36 0.09 1.63 -0.92 0.00 0.00 175.35 174.79