#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cf4 s GLN 2 N 0.00 3.44 0.64 2.12 0.74 -1.26 -4.98 119.66 120.35 1cf4 s GLN 2 Ca 0.00 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 54.95 1cf4 s GLN 2 Cb 0.00 -3.02 0.12 0.00 1.10 0.00 0.00 33.01 31.21 1cf4 s GLN 2 CO 0.00 0.59 0.87 2.41 -0.55 0.00 0.00 175.29 178.62 1cf4 n THR 3 N 0.14 0.00 -3.47 -0.34 -1.04 -1.26 -4.94 114.28 103.38 1cf4 n THR 3 Ca -0.05 -1.46 -0.13 0.00 -2.04 0.00 0.00 64.05 60.37 1cf4 n THR 3 Cb 0.52 -0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 68.03 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 -2.68 -0.48 -0.71 12.58 -4.36 -1.26 -3.98 121.20 120.31 1cf4 s ILE 4 Ca 0.59 -0.02 -0.18 0.00 -0.26 0.00 0.00 60.65 60.78 1cf4 s ILE 4 Cb -0.03 -0.70 0.13 0.00 1.25 0.00 0.00 42.46 43.11 1cf4 s ILE 4 CO 0.39 -0.10 0.80 -0.54 0.24 0.00 0.00 174.94 175.73 1cf4 s LYS 5 N 2.45 3.28 -0.04 0.37 1.02 -1.26 -4.86 119.74 120.70 1cf4 s LYS 5 Ca 0.08 -1.66 0.06 0.00 0.02 0.00 0.00 55.97 54.47 1cf4 s LYS 5 Cb -0.15 -4.44 -0.01 0.00 -0.52 0.00 0.00 37.83 32.71 1cf4 s LYS 5 CO -0.13 -1.54 -0.24 0.00 -0.92 0.00 0.00 175.35 172.53 1cf4 s VAL 7 N -0.28 0.36 0.16 0.00 1.01 -1.26 -4.22 120.40 116.16 1cf4 s VAL 7 Ca 0.01 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1cf4 s VAL 7 Cb -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 1cf4 s VAL 7 CO 0.02 -0.23 0.75 -0.69 0.00 0.00 0.00 175.10 174.95 1cf4 s VAL 8 N -0.91 4.41 -0.16 2.92 1.01 -1.26 -3.73 120.40 122.68 1cf4 s VAL 8 Ca -0.07 1.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 1cf4 s VAL 8 Cb -0.07 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1cf4 s VAL 8 CO -0.00 0.53 0.38 -0.69 0.00 0.00 0.00 175.10 175.32 1cf4 s VAL 9 N -1.14 -0.04 -3.31 2.92 1.01 -1.14 -4.73 120.40 113.97 1cf4 s VAL 9 Ca 0.35 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1cf4 s VAL 9 Cb -0.23 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1cf4 s VAL 9 CO 0.25 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1cf4 n GLY 10 N 4.28 0.59 0.34 4.51 0.00 -1.26 -3.64 105.19 110.00 1cf4 n GLY 10 Ca -0.23 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.19 1cf4 n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cf4 n ASP 11 N 0.00 1.90 -3.92 1.61 5.68 -1.26 -5.01 116.55 115.56 1cf4 n ASP 11 Ca 0.00 -3.22 -0.10 0.00 -0.50 0.00 0.00 54.79 50.97 1cf4 n ASP 11 Cb 0.00 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 39.43 1cf4 n ASP 11 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1cf4 s GLY 12 N -2.81 0.12 0.00 6.12 0.00 -1.26 -4.92 107.32 104.57 1cf4 s GLY 12 Ca 0.31 -0.31 0.23 0.00 0.00 0.00 0.00 44.72 44.96 1cf4 s GLY 12 CO -0.01 -0.40 1.41 0.00 0.00 0.00 0.00 173.10 174.10 1cf4 n ALA 13 N 1.69 2.43 -0.51 3.20 0.00 -1.26 -4.50 120.51 121.56 1cf4 n ALA 13 Ca -0.22 -0.93 0.43 0.00 0.00 0.00 0.00 53.44 52.72 1cf4 n ALA 13 Cb 0.56 -0.90 0.76 0.00 0.00 0.00 0.00 19.45 19.87 1cf4 n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1cf4 h VAL 14 N 4.27 0.19 -0.20 0.00 3.04 -1.95 1.32 116.25 122.91 1cf4 h VAL 14 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1cf4 h VAL 14 Cb 0.94 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1cf4 h VAL 14 CO 0.00 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.18 1cf4 n GLY 15 N -1.79 4.10 0.00 3.17 0.00 -1.26 -4.62 105.19 104.80 1cf4 n GLY 15 Ca 0.36 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1cf4 n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cf4 n LYS 16 N -0.64 0.00 -0.08 1.61 4.81 0.45 -4.68 118.16 119.63 1cf4 n LYS 16 Ca 0.19 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.52 1cf4 n LYS 16 Cb 0.78 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.68 1cf4 n LYS 16 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1cf4 n THR 17 N 0.00 1.46 -0.43 3.15 -2.24 -1.26 -4.38 114.28 110.58 1cf4 n THR 17 Ca 0.00 -0.82 0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1cf4 n THR 17 Cb 0.00 -0.71 0.64 0.00 -2.10 0.00 0.00 70.33 68.16 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 -4.74 0.00 0.09 0.00 4.32 -1.26 0.50 117.00 115.90 1cf4 n LEU 19 Ca 0.37 0.86 -0.22 0.00 -0.02 0.00 0.00 56.01 57.00 1cf4 n LEU 19 Cb 1.40 -0.36 -0.13 0.00 -1.62 0.00 0.00 43.42 42.71 1cf4 n LEU 19 CO 0.19 -0.36 -0.06 -0.07 -1.22 0.00 0.00 177.39 175.87 1cf4 h LEU 20 N 0.00 0.83 0.06 2.23 3.38 -1.73 -2.66 115.31 117.42 1cf4 h LEU 20 Ca 0.00 -0.84 -0.00 0.00 0.09 0.00 0.00 57.88 57.13 1cf4 h LEU 20 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1cf4 h LEU 20 CO 0.00 1.59 -0.03 0.40 0.09 0.00 0.00 178.44 180.49 1cf4 h ILE 21 N 0.18 0.00 -0.60 1.22 1.08 0.04 -2.64 117.51 116.79 1cf4 h ILE 21 Ca -0.19 -0.01 0.10 0.00 -0.39 0.00 0.00 64.86 64.38 1cf4 h ILE 21 Cb 1.89 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.56 1cf4 h ILE 21 CO 0.23 0.00 0.17 -1.28 -0.69 0.00 0.00 178.15 176.58 1cf4 h SER 22 N -0.09 0.11 -0.88 1.72 0.87 0.24 1.29 113.55 116.81 1cf4 h SER 22 Ca -0.01 0.09 0.20 0.00 -1.23 0.00 0.00 61.79 60.85 1cf4 h SER 22 Cb 0.06 0.11 -0.12 0.00 -0.44 0.00 0.00 62.40 62.01 1cf4 h SER 22 CO 0.01 0.07 0.40 0.22 -0.53 0.00 0.00 176.83 177.00 1cf4 h TYR 23 N 0.32 0.68 0.00 2.24 5.03 -0.96 -2.84 116.97 121.43 1cf4 h TYR 23 Ca 0.31 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.66 1cf4 h TYR 23 Cb 0.42 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.54 1cf4 h TYR 23 CO -0.21 0.01 -0.53 2.41 -1.32 0.00 0.00 178.16 178.52 1cf4 n THR 24 N -5.00 0.81 -3.55 1.81 -1.04 -0.57 -4.91 114.28 101.82 1cf4 n THR 24 Ca 0.21 0.30 -0.19 0.00 -2.04 0.00 0.00 64.05 62.33 1cf4 n THR 24 Cb 0.60 -1.94 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 1cf4 n THR 24 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1cf4 s THR 25 N -2.02 4.16 0.00 12.58 2.01 0.43 -4.63 115.64 128.18 1cf4 s THR 25 Ca -0.15 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1cf4 s THR 25 Cb 0.02 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1cf4 s THR 25 CO 0.23 -0.18 0.00 -3.20 -0.69 0.00 0.00 174.62 170.78 1cf4 n ASN 26 N -1.59 0.00 -0.41 3.53 2.85 -1.26 -2.76 115.26 115.61 1cf4 n ASN 26 Ca -0.01 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.51 1cf4 n ASN 26 Cb 0.58 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.58 1cf4 n ASN 26 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1cf4 n LYS 27 N 0.00 -0.87 -0.04 1.20 5.02 -1.07 -4.41 118.16 117.99 1cf4 n LYS 27 Ca 0.00 0.62 -0.21 0.00 -2.02 0.00 0.00 58.31 56.70 1cf4 n LYS 27 Cb 0.00 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.39 0.25 -0.30 2.13 3.57 -1.91 -3.39 116.94 116.90 1cf4 h PHE 28 Ca -0.01 -0.18 -0.31 0.00 3.53 0.00 0.00 57.97 61.00 1cf4 h PHE 28 Cb 0.38 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1cf4 h PHE 28 CO -0.41 1.48 0.12 -0.35 -2.23 0.00 0.00 178.31 176.92 1cf4 n PRO 29 N -4.14 2.26 0.00 6.41 -0.04 -1.26 -4.55 135.00 133.68 1cf4 n PRO 29 Ca -0.26 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.73 1cf4 n PRO 29 Cb 0.79 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 2.12 0.00 -3.57 3.54 7.64 -1.26 -5.19 113.62 116.91 1cf4 n SER 30 Ca 0.47 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.25 1cf4 n SER 30 Cb 0.77 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.95 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 1.05 1.43 -0.11 1.43 -1.05 -1.26 -5.14 118.70 115.05 1cf4 s GLU 31 Ca 0.00 -0.65 -0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1cf4 s GLU 31 Cb 0.00 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.32 1cf4 s GLU 31 CO 0.00 -0.64 0.01 0.71 0.95 0.00 0.00 175.26 176.29 1cf4 s TYR 32 N -3.81 0.77 0.30 4.83 1.51 -1.26 -4.83 117.35 114.86 1cf4 s TYR 32 Ca 0.04 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1cf4 s TYR 32 Cb -0.02 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 1cf4 s TYR 32 CO -0.07 -0.41 0.00 0.28 -1.11 0.00 0.00 175.55 174.24 1cf4 n VAL 33 N 5.12 0.00 -0.18 0.71 0.31 -1.26 -5.00 118.33 118.03 1cf4 n VAL 33 Ca -0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.21 1cf4 n VAL 33 Cb 0.49 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.41 1cf4 n VAL 33 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1cf4 n PRO 34 N -3.10 0.47 -0.27 5.55 -0.04 -1.26 -4.00 135.00 132.34 1cf4 n PRO 34 Ca 0.00 -0.59 0.08 0.00 -0.04 0.00 0.00 63.50 62.95 1cf4 n PRO 34 Cb 0.00 -1.97 0.14 0.00 -0.04 0.00 0.00 33.50 31.63 1cf4 n PRO 34 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1cf4 n THR 35 N 4.30 1.70 -0.03 0.52 5.66 -1.26 -4.77 114.28 120.40 1cf4 n THR 35 Ca 0.10 -2.20 -0.15 0.00 -3.05 0.00 0.00 64.05 58.75 1cf4 n THR 35 Cb 0.06 -0.12 -0.09 0.00 -1.55 0.00 0.00 70.33 68.63 1cf4 n THR 35 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1cf4 h VAL 36 N 1.17 1.42 -0.52 1.08 2.07 -1.90 -3.29 116.25 116.28 1cf4 h VAL 36 Ca -0.01 -1.71 -0.33 0.00 0.82 0.00 0.00 66.70 65.47 1cf4 h VAL 36 Cb 1.07 2.29 -0.12 0.00 -1.52 0.00 0.00 31.29 33.01 1cf4 h VAL 36 CO 0.00 0.50 0.04 0.33 0.02 0.00 0.00 177.57 178.46 1cf4 n PHE 37 N -4.41 0.83 0.35 1.57 -0.00 -1.26 -4.48 117.46 110.05 1cf4 n PHE 37 Ca -0.08 -1.71 0.14 0.00 -0.00 0.00 0.00 57.45 55.81 1cf4 n PHE 37 Cb 0.50 -1.40 0.58 0.00 -0.00 0.00 0.00 39.48 39.17 1cf4 n PHE 37 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1cf4 h ASP 38 N 2.79 0.00 -0.22 -2.13 3.32 -1.91 -2.50 116.42 115.77 1cf4 h ASP 38 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1cf4 h ASP 38 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1cf4 h ASP 38 CO 0.55 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.87 1cf4 n ASN 39 N -2.59 1.36 -3.99 6.45 5.15 -1.26 -4.66 115.26 115.72 1cf4 n ASN 39 Ca 0.01 -2.04 -0.29 0.00 -0.60 0.00 0.00 54.58 51.67 1cf4 n ASN 39 Cb 0.25 -0.20 0.28 0.00 -0.53 0.00 0.00 39.78 39.58 1cf4 n ASN 39 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1cf4 s TYR 40 N -1.68 0.35 0.16 1.20 -0.85 -0.95 -5.00 117.35 110.59 1cf4 s TYR 40 Ca 0.15 0.91 -0.10 0.00 -0.52 0.00 0.00 57.07 57.51 1cf4 s TYR 40 Cb 0.08 -2.96 -0.07 0.00 0.38 0.00 0.00 41.96 39.40 1cf4 s TYR 40 CO 0.10 -4.55 0.49 0.00 -1.52 0.00 0.00 175.55 170.06 1cf4 s ALA 41 N -2.29 3.64 0.03 9.51 0.00 -1.26 -4.95 121.76 126.44 1cf4 s ALA 41 Ca 0.69 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1cf4 s ALA 41 Cb -0.20 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1cf4 s ALA 41 CO 0.62 0.53 -0.08 0.14 0.00 0.00 0.00 175.76 176.97 1cf4 s VAL 42 N -1.60 0.62 -0.62 0.00 -7.23 -1.26 -5.10 120.40 105.21 1cf4 s VAL 42 Ca 0.40 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 1cf4 s VAL 42 Cb -0.13 -0.63 0.05 0.00 0.56 0.00 0.00 36.38 36.24 1cf4 s VAL 42 CO 0.20 -0.20 1.01 0.28 -0.31 0.00 0.00 175.10 176.08 1cf4 s THR 43 N -1.00 4.25 -0.19 5.32 -1.32 -1.26 -4.95 115.64 116.48 1cf4 s THR 43 Ca -0.05 0.07 -0.28 0.00 -1.21 0.00 0.00 61.69 60.22 1cf4 s THR 43 Cb -0.08 -4.66 0.11 0.00 -1.51 0.00 0.00 72.50 66.36 1cf4 s THR 43 CO 0.00 -1.37 0.91 0.54 -2.21 0.00 0.00 174.62 172.49 1cf4 s VAL 44 N 4.31 0.00 -0.04 5.08 0.11 -1.26 -5.17 120.40 123.43 1cf4 s VAL 44 Ca 0.28 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.38 1cf4 s VAL 44 Cb -0.13 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 1cf4 s VAL 44 CO 0.15 0.00 -0.17 0.00 -3.33 0.00 0.00 175.10 171.75 1cf4 s MET 45 N -0.52 2.37 -0.34 1.54 0.23 -1.26 -4.05 119.30 117.28 1cf4 s MET 45 Ca -0.02 -0.77 -0.17 0.00 -1.03 0.00 0.00 55.69 53.70 1cf4 s MET 45 Cb -0.02 -2.28 -0.01 0.00 -1.53 0.00 0.00 34.83 30.99 1cf4 s MET 45 CO 0.01 0.60 0.44 0.42 -2.03 0.00 0.00 175.02 174.45 1cf4 s ILE 46 N -0.71 5.10 0.00 3.16 -1.09 -0.61 -4.82 121.20 122.22 1cf4 s ILE 46 Ca 0.11 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1cf4 s ILE 46 Cb -0.10 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1cf4 s ILE 46 CO 0.00 -0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 1cf4 n GLY 47 N 4.85 0.33 0.00 6.18 0.00 -1.26 -2.93 105.19 112.37 1cf4 n GLY 47 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.95 3.24 -0.02 0.00 -1.26 -4.90 105.19 101.30 1cf4 n GLY 48 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.23 1.04 -0.48 1.61 2.02 -1.15 -5.01 118.70 116.50 1cf4 s GLU 49 Ca 0.00 -1.32 -0.20 0.00 0.02 0.00 0.00 54.97 53.48 1cf4 s GLU 49 Cb 0.00 0.31 -0.12 0.00 0.10 0.00 0.00 34.13 34.42 1cf4 s GLU 49 CO 0.00 -0.34 1.42 -2.30 0.02 0.00 0.00 175.26 174.07 1cf4 n PRO 50 N -0.15 0.00 -3.36 0.39 -0.02 -1.26 -3.78 135.00 126.82 1cf4 n PRO 50 Ca -0.06 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.44 1cf4 n PRO 50 Cb 0.63 -0.84 -0.04 0.00 -0.02 0.00 0.00 33.50 33.23 1cf4 n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1cf4 s TYR 51 N 4.55 -0.50 0.08 6.00 6.14 -1.26 -4.87 117.35 127.49 1cf4 s TYR 51 Ca 0.74 0.87 0.02 0.00 0.64 0.00 0.00 57.07 59.34 1cf4 s TYR 51 Cb -0.75 0.30 -0.03 0.00 0.42 0.00 0.00 41.96 41.89 1cf4 s TYR 51 CO 0.30 -0.25 -0.08 0.95 0.64 0.00 0.00 175.55 177.12 1cf4 s THR 52 N 2.26 0.68 0.21 4.34 -4.23 -1.26 -1.58 115.64 116.07 1cf4 s THR 52 Ca -0.02 -1.59 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1cf4 s THR 52 Cb -0.04 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1cf4 s THR 52 CO -0.17 -0.65 -0.11 -1.48 -0.54 0.00 0.00 174.62 171.67 1cf4 s LEU 53 N -2.43 2.90 -0.25 4.79 -0.00 -1.26 -5.06 118.68 117.36 1cf4 s LEU 53 Ca 0.03 -0.69 -0.28 0.00 -0.00 0.00 0.00 54.13 53.19 1cf4 s LEU 53 Cb -0.01 -1.53 -0.04 0.00 -0.00 0.00 0.00 46.19 44.60 1cf4 s LEU 53 CO -0.02 0.08 2.11 -0.83 -0.00 0.00 0.00 176.35 177.68 1cf4 s GLY 54 N -3.08 0.57 0.00 -3.48 0.00 -1.26 -4.96 107.32 95.11 1cf4 s GLY 54 Ca 0.26 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1cf4 s GLY 54 CO 0.15 3.67 0.00 1.04 0.00 0.00 0.00 173.10 177.96 1cf4 n LEU 55 N 11.39 0.00 -4.54 0.66 4.77 -1.26 -4.76 117.00 123.26 1cf4 n LEU 55 Ca 0.28 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 1cf4 n LEU 55 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1cf4 n LEU 55 CO 0.67 -0.16 0.85 -0.36 -1.33 0.00 0.00 177.39 177.06 1cf4 s PHE 56 N 0.00 2.73 -0.23 -1.77 0.40 -1.26 -4.90 117.98 112.95 1cf4 s PHE 56 Ca 0.00 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 1cf4 s PHE 56 Cb 0.00 -4.21 0.05 0.00 0.51 0.00 0.00 43.02 39.37 1cf4 s PHE 56 CO 0.00 -1.43 -0.13 0.16 0.70 0.00 0.00 175.22 174.52 1cf4 s ASP 57 N 2.90 3.97 -0.21 1.36 1.47 -1.26 -4.53 116.67 120.36 1cf4 s ASP 57 Ca 0.34 -1.14 -0.10 0.00 1.18 0.00 0.00 52.55 52.83 1cf4 s ASP 57 Cb -0.11 -1.48 0.08 0.00 -0.34 0.00 0.00 42.92 41.07 1cf4 s ASP 57 CO 0.21 -0.14 0.49 -0.89 0.68 0.00 0.00 175.17 175.52 1cf4 s THR 58 N 1.20 -0.32 -0.30 2.11 2.01 -1.26 -4.84 115.64 114.23 1cf4 s THR 58 Ca -0.04 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 61.88 1cf4 s THR 58 Cb -0.18 -0.74 0.17 0.00 0.01 0.00 0.00 72.50 71.76 1cf4 s THR 58 CO -0.07 0.04 1.07 0.00 -0.69 0.00 0.00 174.62 174.97 1cf4 s ALA 59 N 1.99 -2.88 -1.17 7.40 0.00 -1.26 -4.87 121.76 120.97 1cf4 s ALA 59 Ca -0.07 1.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 1cf4 s ALA 59 Cb -0.09 -2.13 0.24 0.00 0.00 0.00 0.00 23.12 21.13 1cf4 s ALA 59 CO -0.15 -0.97 1.45 0.41 0.00 0.00 0.00 175.76 176.50 1cf4 n GLY 60 N 4.86 4.36 0.00 0.00 0.00 -1.25 -4.21 105.19 108.95 1cf4 n GLY 60 Ca -0.08 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 3.33 0.00 -0.08 0.99 4.32 -1.04 -4.93 117.00 119.58 1cf4 n LEU 61 Ca 0.31 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.21 1cf4 n LEU 61 Cb 0.38 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.02 1cf4 n LEU 61 CO 0.65 0.00 -1.05 -0.62 -1.22 0.00 0.00 177.39 175.15 1cf4 n GLU 62 N 0.00 0.68 0.22 3.23 1.02 -1.26 -4.60 120.64 119.93 1cf4 n GLU 62 Ca 0.00 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 1cf4 n GLU 62 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.82 1cf4 n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1cf4 h ASP 63 N 0.00 -0.49 -4.14 1.62 1.82 -1.96 -3.45 116.42 109.82 1cf4 h ASP 63 Ca -0.49 0.02 -0.60 0.00 -0.39 0.00 0.00 57.03 55.57 1cf4 h ASP 63 Cb 2.16 0.13 -0.31 0.00 0.68 0.00 0.00 39.33 41.99 1cf4 h ASP 63 CO 0.04 -0.23 -0.85 -0.31 -1.61 0.00 0.00 179.24 176.27 1cf4 s TYR 64 N -3.67 1.90 -0.10 0.28 1.51 -1.26 -5.06 117.35 110.95 1cf4 s TYR 64 Ca -0.09 -0.48 -0.05 0.00 -1.01 0.00 0.00 57.07 55.45 1cf4 s TYR 64 Cb 0.01 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 1cf4 s TYR 64 CO 0.26 -0.12 -0.10 0.38 -1.11 0.00 0.00 175.55 174.86 1cf4 h ASP 65 N 5.96 0.00 0.12 2.29 3.04 -1.83 -2.76 116.42 123.25 1cf4 h ASP 65 Ca -0.35 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.40 1cf4 h ASP 65 Cb 1.16 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.44 1cf4 h ASP 65 CO 0.48 0.51 -1.91 0.54 -2.04 0.00 0.00 179.24 176.81 1cf4 n ARG 66 N -4.04 0.66 0.00 4.15 3.00 -1.26 -4.53 116.66 114.63 1cf4 n ARG 66 Ca -0.04 -0.14 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 1cf4 n ARG 66 Cb 0.14 -1.56 0.00 0.00 0.00 0.00 0.00 32.46 31.04 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 -2.37 0.00 0.10 0.55 4.77 -1.26 -4.82 117.00 113.97 1cf4 n LEU 67 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1cf4 n LEU 67 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1cf4 n LEU 67 CO 0.45 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 177.05 1cf4 n ARG 68 N 13.30 0.00 -0.35 3.23 1.74 -1.26 -4.98 116.66 128.34 1cf4 n ARG 68 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1cf4 n ARG 68 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1cf4 n ARG 68 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1cf4 n PRO 69 N -2.88 -0.36 -0.21 5.56 -0.02 -1.26 0.13 135.00 135.96 1cf4 n PRO 69 Ca 0.00 1.27 0.30 0.00 -2.02 0.00 0.00 63.50 63.05 1cf4 n PRO 69 Cb 0.00 -1.87 0.73 0.00 -0.02 0.00 0.00 33.50 32.34 1cf4 n PRO 69 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1cf4 h LEU 70 N 0.00 0.00 -0.13 2.45 8.10 -1.89 -2.59 115.31 121.25 1cf4 h LEU 70 Ca 0.13 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.14 1cf4 h LEU 70 Cb 0.34 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.52 1cf4 h LEU 70 CO -0.78 0.00 -0.29 0.77 -4.11 0.00 0.00 178.44 174.03 1cf4 h SER 71 N 0.00 -0.94 -0.02 0.17 4.64 0.81 -3.44 113.55 114.76 1cf4 h SER 71 Ca 0.45 0.12 0.20 0.00 -0.47 0.00 0.00 61.79 62.09 1cf4 h SER 71 Cb 1.86 0.37 -0.17 0.00 -0.31 0.00 0.00 62.40 64.15 1cf4 h SER 71 CO -0.00 -0.24 0.00 -0.72 -0.87 0.00 0.00 176.83 175.00 1cf4 s TYR 72 N -4.41 -0.04 0.21 4.77 -0.85 -0.98 -4.71 117.35 111.34 1cf4 s TYR 72 Ca -0.08 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 1cf4 s TYR 72 Cb 0.04 0.01 -0.09 0.00 0.38 0.00 0.00 41.96 42.30 1cf4 s TYR 72 CO 0.32 -0.03 1.21 -1.25 -1.52 0.00 0.00 175.55 174.29 1cf4 s PRO 73 N 2.23 4.48 -0.01 -3.49 0.04 -1.22 -4.93 135.00 132.11 1cf4 s PRO 73 Ca 0.19 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1cf4 s PRO 73 Cb 0.04 -3.21 0.25 0.00 0.04 0.00 0.00 34.50 31.62 1cf4 s PRO 73 CO -0.18 -0.08 1.18 1.04 0.04 0.00 0.00 177.00 179.00 1cf4 n GLN 74 N 2.20 1.71 -0.34 4.56 1.13 -1.26 -4.75 117.38 120.63 1cf4 n GLN 74 Ca 0.04 -1.01 -0.10 0.00 -1.94 0.00 0.00 57.00 53.99 1cf4 n GLN 74 Cb 0.44 -1.27 0.08 0.00 0.11 0.00 0.00 30.24 29.60 1cf4 n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1cf4 n THR 75 N 0.30 0.00 -0.22 5.09 5.66 -1.26 -5.01 114.28 118.85 1cf4 n THR 75 Ca 0.09 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cf4 n THR 75 Cb 0.27 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 -3.59 1.39 -3.62 1.09 2.03 -1.26 -4.88 116.55 107.70 1cf4 n ASP 76 Ca 0.05 -1.60 -0.27 0.00 0.52 0.00 0.00 54.79 53.48 1cf4 n ASP 76 Cb 0.19 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.48 1cf4 n ASP 76 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1cf4 n VAL 77 N -0.30 0.43 -1.95 5.18 3.14 -1.26 -3.83 118.33 119.73 1cf4 n VAL 77 Ca 0.00 -4.28 -0.29 0.00 -2.96 0.00 0.00 64.34 56.81 1cf4 n VAL 77 Cb 0.25 -1.96 0.12 0.00 -1.06 0.00 0.00 33.84 31.19 1cf4 n VAL 77 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1cf4 s PHE 78 N -0.94 2.54 -0.21 1.45 0.40 -0.50 -4.48 117.98 116.24 1cf4 s PHE 78 Ca 0.30 0.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.17 1cf4 s PHE 78 Cb 0.02 -3.64 0.09 0.00 0.51 0.00 0.00 43.02 40.00 1cf4 s PHE 78 CO -0.17 -2.00 0.19 -1.17 0.70 0.00 0.00 175.22 172.78 1cf4 s LEU 79 N -5.63 0.03 0.25 -0.37 2.96 -1.24 -3.08 118.68 111.59 1cf4 s LEU 79 Ca 0.65 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1cf4 s LEU 79 Cb -0.09 0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 1cf4 s LEU 79 CO 0.50 -0.34 0.48 0.68 -1.32 0.00 0.00 176.35 176.34 1cf4 s VAL 80 N 2.27 5.11 0.03 1.68 -7.23 -1.19 -2.89 120.40 118.19 1cf4 s VAL 80 Ca 0.06 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.07 1cf4 s VAL 80 Cb -0.16 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 1cf4 s VAL 80 CO -0.15 -0.28 -0.08 0.00 -0.31 0.00 0.00 175.10 174.28 1cf4 s PHE 82 N -0.90 -0.84 0.04 0.00 -0.71 -1.26 -4.13 117.98 110.18 1cf4 s PHE 82 Ca -0.04 1.55 -0.18 0.00 -1.04 0.00 0.00 56.93 57.21 1cf4 s PHE 82 Cb -0.07 0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 42.18 1cf4 s PHE 82 CO 0.00 -0.42 0.53 -1.54 -1.34 0.00 0.00 175.22 172.46 1cf4 s SER 83 N 2.07 6.99 1.00 1.98 1.04 -1.26 -4.89 113.70 120.64 1cf4 s SER 83 Ca -0.06 1.17 -0.00 0.00 0.48 0.00 0.00 55.95 57.54 1cf4 s SER 83 Cb -0.06 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1cf4 s SER 83 CO -0.17 0.26 0.01 1.33 0.98 0.00 0.00 173.24 175.65 1cf4 n VAL 84 N 1.89 0.00 -2.61 5.02 0.24 -1.26 -4.77 118.33 116.84 1cf4 n VAL 84 Ca -0.11 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 1cf4 n VAL 84 Cb 0.51 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 1cf4 n VAL 84 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1cf4 n VAL 85 N -2.87-10.86 -3.73 3.34 0.31 -1.26 -4.88 118.33 98.39 1cf4 n VAL 85 Ca 0.00 2.37 -0.14 0.00 -0.01 0.00 0.00 64.34 66.57 1cf4 n VAL 85 Cb 0.01 -5.71 -0.09 0.00 -0.91 0.00 0.00 33.84 27.13 1cf4 n VAL 85 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1cf4 s SER 86 N -0.53 -0.33 -0.25 4.52 0.15 -1.26 -4.98 113.70 111.02 1cf4 s SER 86 Ca -0.19 0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.85 1cf4 s SER 86 Cb 0.01 0.54 -0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1cf4 s SER 86 CO 0.52 -0.34 3.17 -0.81 1.20 0.00 0.00 173.24 176.98 1cf4 n PRO 87 N 1.89 2.22 -1.52 5.44 -0.04 -1.26 -4.32 135.00 137.41 1cf4 n PRO 87 Ca -0.18 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1cf4 n PRO 87 Cb 0.57 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 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 1.63 -1.23 -0.02 3.54 2.88 -1.26 -4.08 113.62 115.08 1cf4 n SER 88 Ca 0.46 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 58.03 1cf4 n SER 88 Cb 0.72 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.62 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 1.71 0.23 0.03 -3.46 2.88 -1.26 -4.45 113.62 109.30 1cf4 n SER 89 Ca 0.00 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1cf4 n SER 89 Cb 0.33 1.22 -0.08 0.00 -0.75 0.00 0.00 64.21 64.93 1cf4 n SER 89 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1cf4 h PHE 90 N 0.00 -1.26 -0.97 0.66 3.57 -1.93 0.23 116.94 117.24 1cf4 h PHE 90 Ca -0.20 0.04 0.27 0.00 3.53 0.00 0.00 57.97 61.62 1cf4 h PHE 90 Cb 1.49 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 40.74 1cf4 h PHE 90 CO 0.00 -0.45 0.68 1.05 -2.23 0.00 0.00 178.31 177.36 1cf4 h GLU 91 N -0.52 0.08 0.26 1.11 4.11 -2.00 0.16 114.58 117.78 1cf4 h GLU 91 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1cf4 h GLU 91 Cb 0.57 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1cf4 h GLU 91 CO -0.30 0.05 -0.12 -0.97 0.07 0.00 0.00 179.01 177.74 1cf4 h ASN 92 N 0.08 -0.29 -0.90 3.06 -0.73 -1.14 -2.74 115.58 112.93 1cf4 h ASN 92 Ca 0.47 0.01 0.15 0.00 1.87 0.00 0.00 56.30 58.80 1cf4 h ASN 92 Cb 1.74 0.08 -0.09 0.00 0.27 0.00 0.00 38.32 40.32 1cf4 h ASN 92 CO -0.05 0.00 0.50 1.62 -0.37 0.00 0.00 177.43 179.13 1cf4 h VAL 93 N -0.77 0.76 0.47 2.57 3.04 -0.09 0.74 116.25 122.96 1cf4 h VAL 93 Ca -0.04 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 1cf4 h VAL 93 Cb 0.26 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1cf4 h VAL 93 CO 0.06 0.13 -0.39 0.50 -1.01 0.00 0.00 177.57 176.85 1cf4 h LYS 94 N 0.70 -0.81 0.00 4.17 3.11 -0.81 1.22 116.57 124.16 1cf4 h LYS 94 Ca 0.49 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.38 1cf4 h LYS 94 Cb 0.67 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.08 1cf4 h LYS 94 CO -0.35 -0.54 0.00 0.39 -2.81 0.00 0.00 179.45 176.14 1cf4 n GLU 95 N -4.82 0.92 -0.09 1.90 -0.58 -0.98 -2.66 120.64 114.32 1cf4 n GLU 95 Ca -0.10 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.52 1cf4 n GLU 95 Cb 0.37 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.79 1cf4 n GLU 95 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1cf4 n LYS 96 N -0.86 0.65 -0.04 3.49 4.81 0.25 -4.44 118.16 122.02 1cf4 n LYS 96 Ca 0.16 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.55 1cf4 n LYS 96 Cb 0.07 -1.38 -0.11 0.00 0.02 0.00 0.00 35.03 33.63 1cf4 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1cf4 h TRP 97 N 0.00 0.06 -0.57 5.64 -0.00 0.15 -2.88 115.95 118.35 1cf4 h TRP 97 Ca -0.42 -0.03 0.11 0.00 -0.00 0.00 0.00 58.89 58.55 1cf4 h TRP 97 Cb 1.70 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.16 30.74 1cf4 h TRP 97 CO 0.02 0.77 -0.25 0.28 -0.00 0.00 0.00 178.44 179.26 1cf4 h VAL 98 N -0.67 0.27 0.00 1.49 2.07 -1.68 1.26 116.25 118.99 1cf4 h VAL 98 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1cf4 h VAL 98 Cb 0.79 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1cf4 h VAL 98 CO 0.01 0.00 -0.03 1.55 0.02 0.00 0.00 177.57 179.12 1cf4 h PRO 99 N -0.11 0.00 0.07 1.57 0.13 -1.78 -2.33 132.00 129.56 1cf4 h PRO 99 Ca 0.25 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.18 1cf4 h PRO 99 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1cf4 h PRO 99 CO -0.64 0.03 -1.04 0.93 -0.23 0.00 0.00 178.00 177.06 1cf4 h GLU 100 N 0.00 0.16 0.00 0.86 5.08 -0.53 -1.71 114.58 118.44 1cf4 h GLU 100 Ca -0.00 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 1cf4 h GLU 100 Cb 0.64 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1cf4 h GLU 100 CO 0.00 1.13 -0.19 0.97 -1.00 0.00 0.00 179.01 179.93 1cf4 h ILE 101 N -0.58 0.74 0.00 3.13 2.10 0.14 -2.48 117.51 120.56 1cf4 h ILE 101 Ca -0.24 -0.75 -0.20 0.00 1.08 0.00 0.00 64.86 64.75 1cf4 h ILE 101 Cb 1.51 1.46 -0.03 0.00 -1.09 0.00 0.00 36.82 38.67 1cf4 h ILE 101 CO 0.01 0.18 -1.58 0.35 -1.08 0.00 0.00 178.15 176.03 1cf4 n THR 102 N -3.75 1.22 0.02 2.19 -2.24 -0.88 -2.95 114.28 107.89 1cf4 n THR 102 Ca -0.02 -0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1cf4 n THR 102 Cb 0.29 -0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1cf4 n THR 102 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1cf4 h HIS 103 N 0.00 -0.06 -0.52 4.78 3.86 -0.87 -3.35 115.15 118.99 1cf4 h HIS 103 Ca -0.21 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 1cf4 h HIS 103 Cb 1.68 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 30.15 1cf4 h HIS 103 CO 0.00 -0.04 0.14 0.45 0.86 0.00 0.00 177.93 179.35 1cf4 h HIS 104 N -0.09 0.86 -3.57 2.45 -0.00 -1.69 -3.43 115.15 109.67 1cf4 h HIS 104 Ca -0.01 -0.09 -0.67 0.00 -0.00 0.00 0.00 60.37 59.60 1cf4 h HIS 104 Cb 0.05 -0.24 -0.16 0.00 -0.00 0.00 0.00 27.41 27.06 1cf4 h HIS 104 CO 0.13 0.75 -0.73 0.00 -0.00 0.00 0.00 177.93 178.08 1cf4 n PRO 106 N 0.81 -0.46 -1.28 0.00 -0.02 -1.26 -3.25 135.00 129.54 1cf4 n PRO 106 Ca -0.14 -0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 60.94 1cf4 n PRO 106 Cb 0.52 -1.61 -0.08 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.70 3.16 -2.01 -0.52 5.02 -1.26 -4.46 118.16 117.38 1cf4 n LYS 107 Ca 0.03 -1.92 -0.29 0.00 -2.02 0.00 0.00 58.31 54.11 1cf4 n LYS 107 Cb 0.57 -2.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.14 1cf4 n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1cf4 s THR 108 N 1.27 3.33 0.99 -0.18 -4.23 -1.26 -5.05 115.64 110.51 1cf4 s THR 108 Ca 0.67 0.30 -0.11 0.00 -1.18 0.00 0.00 61.69 61.37 1cf4 s THR 108 Cb 0.24 -3.41 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1cf4 s THR 108 CO -0.05 -0.51 1.11 -2.84 -0.54 0.00 0.00 174.62 171.79 1cf4 s PRO 109 N -5.30 0.44 0.03 3.99 0.02 -1.25 -4.83 135.00 128.11 1cf4 s PRO 109 Ca 0.58 1.35 -0.23 0.00 0.02 0.00 0.00 61.00 62.72 1cf4 s PRO 109 Cb -0.11 -1.68 0.05 0.00 0.02 0.00 0.00 34.50 32.79 1cf4 s PRO 109 CO 0.50 -2.96 0.52 -0.59 -0.33 0.00 0.00 177.00 174.14 1cf4 s PHE 110 N -2.59 -0.42 -0.00 6.54 -0.71 -1.25 -1.41 117.98 118.12 1cf4 s PHE 110 Ca 0.67 0.52 0.05 0.00 -1.04 0.00 0.00 56.93 57.13 1cf4 s PHE 110 Cb -0.23 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1cf4 s PHE 110 CO 0.60 -0.62 -0.13 -1.17 -1.34 0.00 0.00 175.22 172.56 1cf4 s LEU 111 N -1.83 2.83 0.23 -1.99 0.20 -1.18 -2.28 118.68 114.66 1cf4 s LEU 111 Ca -0.07 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.54 1cf4 s LEU 111 Cb -0.01 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 1cf4 s LEU 111 CO 0.00 0.30 0.37 -0.76 -0.29 0.00 0.00 176.35 175.97 1cf4 s LEU 112 N -1.17 4.28 0.00 -0.68 2.01 -1.26 -3.15 118.68 118.71 1cf4 s LEU 112 Ca 0.14 0.16 -0.03 0.00 0.01 0.00 0.00 54.13 54.41 1cf4 s LEU 112 Cb -0.11 -2.94 -0.01 0.00 0.01 0.00 0.00 46.19 43.14 1cf4 s LEU 112 CO 0.04 -0.07 0.05 -0.69 1.01 0.00 0.00 176.35 176.69 1cf4 s VAL 113 N -1.97 0.07 -0.47 -1.59 1.01 -1.26 -3.83 120.40 112.36 1cf4 s VAL 113 Ca 0.35 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1cf4 s VAL 113 Cb -0.10 -0.26 0.12 0.00 0.00 0.00 0.00 36.38 36.15 1cf4 s VAL 113 CO 0.30 -0.31 0.21 -0.83 0.00 0.00 0.00 175.10 174.47 1cf4 s GLY 114 N -0.98 2.15 0.00 4.51 0.00 0.13 -4.74 107.32 108.39 1cf4 s GLY 114 Ca -0.11 -2.95 0.07 0.00 0.00 0.00 0.00 44.72 41.73 1cf4 s GLY 114 CO 0.00 1.13 1.01 -1.30 0.00 0.00 0.00 173.10 173.95 1cf4 n THR 115 N 3.45 0.68 -1.24 0.90 -2.24 -1.19 0.21 114.28 114.84 1cf4 n THR 115 Ca 0.05 -0.84 -0.02 0.00 -2.27 0.00 0.00 64.05 60.98 1cf4 n THR 115 Cb 0.35 0.71 0.23 0.00 -2.10 0.00 0.00 70.33 69.51 1cf4 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cf4 n GLN 116 N 0.20 2.39 0.01 -0.78 6.02 -1.26 -4.56 117.38 119.41 1cf4 n GLN 116 Ca 0.06 -3.04 0.05 0.00 -0.01 0.00 0.00 57.00 54.05 1cf4 n GLN 116 Cb 0.30 -1.89 0.21 0.00 1.02 0.00 0.00 30.24 29.87 1cf4 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1cf4 n ILE 117 N -0.84 1.40 0.02 5.09 -0.00 -1.26 -1.46 119.36 122.31 1cf4 n ILE 117 Ca 0.32 0.37 0.10 0.00 -0.00 0.00 0.00 62.75 63.54 1cf4 n ILE 117 Cb 1.07 -1.24 -0.12 0.00 -0.00 0.00 0.00 39.64 39.35 1cf4 n ILE 117 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1cf4 n ASP 118 N -1.57 0.27 0.02 7.28 8.00 -1.26 -4.38 116.55 124.90 1cf4 n ASP 118 Ca 0.02 0.10 -0.19 0.00 0.71 0.00 0.00 54.79 55.44 1cf4 n ASP 118 Cb 0.10 1.47 -0.14 0.00 -0.02 0.00 0.00 41.12 42.53 1cf4 n ASP 118 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1cf4 h LEU 119 N 0.00 0.36 -1.84 0.64 4.07 -1.59 -3.34 115.31 113.61 1cf4 h LEU 119 Ca -0.02 -0.73 0.33 0.00 0.08 0.00 0.00 57.88 57.54 1cf4 h LEU 119 Cb 1.06 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.62 1cf4 h LEU 119 CO 0.00 1.65 0.82 0.08 -1.08 0.00 0.00 178.44 179.91 1cf4 h ARG 120 N 0.06 0.08 0.12 1.13 0.11 -1.60 0.57 114.38 114.86 1cf4 h ARG 120 Ca -0.37 -0.01 -0.28 0.00 0.10 0.00 0.00 59.98 59.43 1cf4 h ARG 120 Cb 2.04 -0.02 0.02 0.00 1.11 0.00 0.00 29.97 33.11 1cf4 h ARG 120 CO 0.11 0.06 -1.22 0.22 0.10 0.00 0.00 179.97 179.24 1cf4 h ASP 121 N 0.09 0.62 -0.70 0.08 3.58 -1.79 -3.45 116.42 114.85 1cf4 h ASP 121 Ca 0.58 -0.60 -0.57 0.00 0.42 0.00 0.00 57.03 56.85 1cf4 h ASP 121 Cb 2.12 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.93 1cf4 h ASP 121 CO -0.08 1.44 1.58 -0.67 -2.88 0.00 0.00 179.24 178.63 1cf4 n ASP 122 N -3.67 1.38 0.00 2.28 2.03 0.20 -4.77 116.55 114.00 1cf4 n ASP 122 Ca -0.11 0.15 0.08 0.00 0.52 0.00 0.00 54.79 55.43 1cf4 n ASP 122 Cb 0.99 -1.18 0.41 0.00 -0.72 0.00 0.00 41.12 40.62 1cf4 n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1cf4 n PRO 123 N 8.41 0.21 0.02 -0.67 -0.04 -1.26 -2.54 135.00 139.13 1cf4 n PRO 123 Ca 0.50 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1cf4 n PRO 123 Cb 0.20 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1cf4 n PRO 123 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1cf4 h SER 124 N 0.00 -0.08 -0.93 3.54 0.87 -1.93 -2.25 113.55 112.77 1cf4 h SER 124 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1cf4 h SER 124 Cb 0.17 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 1cf4 h SER 124 CO 0.00 0.08 0.60 0.74 -0.53 0.00 0.00 176.83 177.71 1cf4 h THR 125 N -0.37 1.08 -0.58 2.23 2.02 -1.92 -1.05 112.91 114.33 1cf4 h THR 125 Ca -0.01 -0.38 0.10 0.00 0.77 0.00 0.00 66.41 66.89 1cf4 h THR 125 Cb 0.07 -0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 66.30 1cf4 h THR 125 CO 0.02 0.20 0.16 -0.29 0.37 0.00 0.00 175.52 175.97 1cf4 h ILE 126 N 1.10 0.70 -0.49 3.11 6.09 -1.62 0.28 117.51 126.68 1cf4 h ILE 126 Ca 0.40 -0.10 0.05 0.00 -1.37 0.00 0.00 64.86 63.84 1cf4 h ILE 126 Cb 0.14 0.37 -0.03 0.00 0.47 0.00 0.00 36.82 37.77 1cf4 h ILE 126 CO -0.16 0.06 0.33 -0.33 -3.07 0.00 0.00 178.15 174.97 1cf4 h GLU 127 N 0.30 0.45 0.00 2.19 4.39 -0.56 0.34 114.58 121.69 1cf4 h GLU 127 Ca 0.30 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.93 1cf4 h GLU 127 Cb 0.41 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1cf4 h GLU 127 CO -0.35 0.29 -0.21 0.87 -1.16 0.00 0.00 179.01 178.45 1cf4 h LYS 128 N 0.46 0.00 0.12 2.33 6.56 -0.04 -1.98 116.57 124.02 1cf4 h LYS 128 Ca 0.21 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.52 1cf4 h LYS 128 Cb 0.25 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.92 1cf4 h LYS 128 CO -0.05 0.21 -1.23 -0.07 -2.06 0.00 0.00 179.45 176.25 1cf4 h LEU 129 N 0.00 0.48 -1.06 2.94 3.38 0.48 -3.30 115.31 118.23 1cf4 h LEU 129 Ca -0.00 -0.50 0.42 0.00 0.09 0.00 0.00 57.88 57.89 1cf4 h LEU 129 Cb 0.61 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 1cf4 h LEU 129 CO 0.03 1.38 0.61 0.00 0.09 0.00 0.00 178.44 180.54 1cf4 n ALA 130 N -2.55 1.08 0.26 1.53 0.00 -0.02 0.23 120.51 121.04 1cf4 n ALA 130 Ca -0.09 0.97 0.15 0.00 0.00 0.00 0.00 53.44 54.46 1cf4 n ALA 130 Cb 1.01 -1.01 0.63 0.00 0.00 0.00 0.00 19.45 20.08 1cf4 n ALA 130 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1cf4 h LYS 131 N 0.00 0.00 0.00 0.00 -0.00 -1.64 -3.36 116.57 111.57 1cf4 h LYS 131 Ca 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.49 1cf4 h LYS 131 Cb 2.34 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.57 1cf4 h LYS 131 CO -0.69 0.08 -0.80 0.09 -0.00 0.00 0.00 179.45 178.14 1cf4 n ASN 132 N -3.23 3.86 0.00 7.07 4.13 0.44 -5.04 115.26 122.49 1cf4 n ASN 132 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cf4 n ASN 132 Cb 0.33 0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 1cf4 n ASN 132 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1cf4 n LYS 133 N -1.80 0.00 0.00 3.52 4.81 0.61 -4.45 118.16 120.85 1cf4 n LYS 133 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1cf4 n LYS 133 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 1cf4 n LYS 133 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cf4 n GLN 134 N -1.80 0.00 -2.31 1.64 10.64 -0.84 -4.64 117.38 120.07 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 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 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 3.48 0.00 2.61 1.02 -1.26 -4.72 119.74 120.87 1cf4 s LYS 135 Ca 0.00 0.90 0.00 0.00 0.02 0.00 0.00 55.97 56.89 1cf4 s LYS 135 Cb 0.00 -4.07 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 1cf4 s LYS 135 CO 0.00 -1.68 0.00 -0.35 -0.92 0.00 0.00 175.35 172.40 1cf4 n PRO 136 N 8.23 -1.03 -3.84 -1.68 -0.04 -1.26 -4.68 135.00 130.70 1cf4 n PRO 136 Ca 0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.28 1cf4 n PRO 136 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 1cf4 n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1cf4 s ILE 137 N -0.94 3.08 0.41 0.52 -1.09 -1.26 -4.83 121.20 117.09 1cf4 s ILE 137 Ca 0.00 -2.50 -0.25 0.00 -2.23 0.00 0.00 60.65 55.67 1cf4 s ILE 137 Cb 0.00 -3.11 -0.08 0.00 -1.58 0.00 0.00 42.46 37.68 1cf4 s ILE 137 CO 0.00 -0.73 1.18 0.42 -1.23 0.00 0.00 174.94 174.58 1cf4 s THR 138 N 0.61 3.09 0.29 2.92 -4.23 -1.26 -4.69 115.64 112.37 1cf4 s THR 138 Ca 0.12 0.90 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1cf4 s THR 138 Cb -0.22 -3.50 0.36 0.00 1.34 0.00 0.00 72.50 70.48 1cf4 s THR 138 CO -0.04 0.07 1.60 1.55 -0.54 0.00 0.00 174.62 177.26 1cf4 h PRO 139 N 2.56 0.07 -0.27 3.99 0.13 -1.99 1.26 132.00 137.75 1cf4 h PRO 139 Ca -0.49 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1cf4 h PRO 139 Cb 1.24 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1cf4 h PRO 139 CO 0.62 0.05 0.18 1.05 -0.23 0.00 0.00 178.00 179.67 1cf4 h GLU 140 N 0.07 0.35 0.30 0.86 4.11 -1.97 -2.57 114.58 115.73 1cf4 h GLU 140 Ca 0.56 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.96 1cf4 h GLU 140 Cb 1.15 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1cf4 h GLU 140 CO -0.81 0.23 -0.14 1.15 0.07 0.00 0.00 179.01 179.51 1cf4 h THR 141 N 0.36 0.73 -0.94 -1.06 2.02 0.13 -2.44 112.91 111.70 1cf4 h THR 141 Ca 0.10 -0.15 0.19 0.00 0.77 0.00 0.00 66.41 67.33 1cf4 h THR 141 Cb -0.04 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 1cf4 h THR 141 CO -0.02 0.03 0.61 0.00 0.37 0.00 0.00 175.52 176.51 1cf4 h ALA 142 N 0.21 2.00 -0.76 6.16 0.00 -1.14 0.17 119.26 125.89 1cf4 h ALA 142 Ca -0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1cf4 h ALA 142 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1cf4 h ALA 142 CO 0.07 -0.31 0.33 0.93 0.00 0.00 0.00 179.25 180.27 1cf4 h GLU 143 N 0.56 1.11 0.57 0.00 5.08 -1.25 0.33 114.58 120.98 1cf4 h GLU 143 Ca 0.51 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1cf4 h GLU 143 Cb 1.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1cf4 h GLU 143 CO -0.25 0.89 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.13 1cf4 h LYS 144 N 1.08 -0.78 -0.78 2.33 3.64 -0.23 0.32 116.57 122.15 1cf4 h LYS 144 Ca 0.26 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 1cf4 h LYS 144 Cb 0.17 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1cf4 h LYS 144 CO -0.03 -0.52 0.39 1.25 -2.27 0.00 0.00 179.45 178.27 1cf4 h LEU 145 N -0.81 1.01 0.25 5.20 6.46 -1.33 0.99 115.31 127.07 1cf4 h LEU 145 Ca -0.07 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1cf4 h LEU 145 Cb 0.64 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1cf4 h LEU 145 CO 0.11 0.85 -0.17 0.00 -0.62 0.00 0.00 178.44 178.61 1cf4 h ALA 146 N 1.20 -0.40 0.00 1.25 0.00 -0.10 -2.54 119.26 118.67 1cf4 h ALA 146 Ca 0.27 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1cf4 h ALA 146 Cb 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1cf4 h ALA 146 CO -0.04 -0.74 -0.46 0.00 0.00 0.00 0.00 179.25 178.02 1cf4 h ARG 147 N -0.41 0.00 -0.74 0.00 3.08 -0.19 0.70 114.38 116.83 1cf4 h ARG 147 Ca -0.02 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.18 1cf4 h ARG 147 Cb 0.35 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 1cf4 h ARG 147 CO 0.01 0.46 0.24 0.22 -1.07 0.00 0.00 179.97 179.83 1cf4 h ASP 148 N 0.00 0.15 -0.45 7.04 3.58 0.15 0.69 116.42 127.57 1cf4 h ASP 148 Ca -0.00 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1cf4 h ASP 148 Cb 1.01 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1cf4 h ASP 148 CO 0.06 0.03 0.03 0.18 -2.88 0.00 0.00 179.24 176.66 1cf4 n LEU 149 N -5.08 4.97 -3.64 2.28 4.77 -1.13 -4.97 117.00 114.20 1cf4 n LEU 149 Ca 0.14 -3.03 -0.27 0.00 -0.03 0.00 0.00 56.01 52.82 1cf4 n LEU 149 Cb 0.43 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1cf4 n LEU 149 CO 0.16 0.69 -0.05 0.29 -1.33 0.00 0.00 177.39 177.14 1cf4 n LYS 150 N 0.01 -1.21 0.00 3.23 5.02 0.24 -4.97 118.16 120.48 1cf4 n LYS 150 Ca 0.27 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1cf4 n LYS 150 Cb 1.09 -3.85 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 1cf4 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cf4 n ALA 151 N -3.58 0.00 -0.56 7.82 0.00 0.23 -4.76 120.51 119.65 1cf4 n ALA 151 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1cf4 n ALA 151 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1cf4 n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cf4 n VAL 152 N -0.39 0.00 -3.23 0.00 0.31 -0.97 -3.93 118.33 110.12 1cf4 n VAL 152 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1cf4 n VAL 152 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1cf4 n VAL 152 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1cf4 s LYS 153 N -0.44 0.08 -0.36 5.55 2.47 -1.26 -4.91 119.74 120.87 1cf4 s LYS 153 Ca 0.00 0.21 -0.21 0.00 -1.56 0.00 0.00 55.97 54.40 1cf4 s LYS 153 Cb 0.00 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.50 1cf4 s LYS 153 CO 0.00 -0.03 0.68 -0.47 0.16 0.00 0.00 175.35 175.69 1cf4 s TYR 154 N 2.11 3.14 0.18 4.03 6.14 -1.26 -4.08 117.35 127.61 1cf4 s TYR 154 Ca -0.00 0.41 0.08 0.00 0.64 0.00 0.00 57.07 58.19 1cf4 s TYR 154 Cb -0.02 -3.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.11 1cf4 s TYR 154 CO -0.16 -0.66 -0.02 0.08 0.64 0.00 0.00 175.55 175.42 1cf4 s VAL 155 N 2.82 3.59 -0.27 3.14 1.01 -1.25 -4.81 120.40 124.64 1cf4 s VAL 155 Ca 0.26 -1.48 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 1cf4 s VAL 155 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1cf4 s VAL 155 CO 0.15 -0.11 0.47 -1.61 0.00 0.00 0.00 175.10 174.00 1cf4 s GLU 156 N -2.93 4.04 -0.29 2.72 8.01 -1.26 -0.69 118.70 128.30 1cf4 s GLU 156 Ca 0.27 0.22 -0.21 0.00 0.01 0.00 0.00 54.97 55.25 1cf4 s GLU 156 Cb -0.09 -3.66 0.16 0.00 -4.31 0.00 0.00 34.13 26.23 1cf4 s GLU 156 CO 0.18 -0.34 1.15 0.00 0.01 0.00 0.00 175.26 176.26 1cf4 s SER 158 N 0.61 0.01 0.01 0.00 1.04 -1.26 -3.20 113.70 110.91 1cf4 s SER 158 Ca -0.01 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.48 1cf4 s SER 158 Cb -0.04 0.57 -0.23 0.00 0.10 0.00 0.00 66.02 66.42 1cf4 s SER 158 CO -0.11 -1.12 0.87 0.00 0.98 0.00 0.00 173.24 173.86 1cf4 h ALA 159 N 2.29 0.58 -0.72 5.32 0.00 -1.95 -1.96 119.26 122.83 1cf4 h ALA 159 Ca -0.28 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.38 1cf4 h ALA 159 Cb 1.25 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1cf4 h ALA 159 CO 0.38 1.43 0.00 1.28 0.00 0.00 0.00 179.25 182.34 1cf4 n LEU 160 N -3.19 0.00 0.17 0.00 4.77 -1.26 -2.50 117.00 114.99 1cf4 n LEU 160 Ca -0.12 0.88 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 1cf4 n LEU 160 Cb 1.02 -0.38 0.47 0.00 -2.33 0.00 0.00 43.42 42.19 1cf4 n LEU 160 CO 0.46 -0.38 0.89 0.00 -1.33 0.00 0.00 177.39 177.03 1cf4 h THR 161 N 0.00 0.00 -3.67 -5.08 1.03 -1.95 -3.47 112.91 99.77 1cf4 h THR 161 Ca 0.00 -0.48 -0.14 0.00 -0.01 0.00 0.00 66.41 65.77 1cf4 h THR 161 Cb 0.00 1.39 0.08 0.00 -1.07 0.00 0.00 68.15 68.55 1cf4 h THR 161 CO 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 175.52 175.16 1cf4 n GLN 162 N -2.59 -2.79 0.28 0.00 6.02 -1.04 -4.93 117.38 112.32 1cf4 n GLN 162 Ca 0.03 0.38 0.16 0.00 -0.01 0.00 0.00 57.00 57.56 1cf4 n GLN 162 Cb 0.35 -3.96 0.72 0.00 1.02 0.00 0.00 30.24 28.37 1cf4 n GLN 162 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1cf4 h LYS 163 N -0.82 0.00 0.00 -1.09 1.79 -1.67 -3.47 116.57 111.31 1cf4 h LYS 163 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1cf4 h LYS 163 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1cf4 h LYS 163 CO 0.22 0.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.05 1cf4 n GLY 164 N -0.14 4.52 5.00 3.86 0.00 -1.26 -4.89 105.19 112.29 1cf4 n GLY 164 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1cf4 n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cf4 n LEU 165 N 0.00 0.00 -0.03 0.99 4.77 -1.26 -4.32 117.00 117.15 1cf4 n LEU 165 Ca 0.00 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.22 1cf4 n LEU 165 Cb 0.00 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.73 1cf4 n LEU 165 CO 0.00 0.00 1.21 0.07 -1.33 0.00 0.00 177.39 177.34 1cf4 h LYS 166 N 0.00 0.00 0.00 3.23 2.10 -1.94 -2.31 116.57 117.66 1cf4 h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1cf4 h LYS 166 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1cf4 h LYS 166 CO 0.00 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.74 1cf4 n ASN 167 N -3.53 0.00 0.22 7.07 4.05 -1.26 0.17 115.26 121.98 1cf4 n ASN 167 Ca 0.14 0.92 0.10 0.00 0.45 0.00 0.00 54.58 56.18 1cf4 n ASN 167 Cb 0.97 -0.42 0.65 0.00 1.23 0.00 0.00 39.78 42.21 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 0.95 0.00 3.44 3.04 -1.79 0.83 116.25 122.73 1cf4 h VAL 168 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 1cf4 h VAL 168 Cb 0.00 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 1cf4 h VAL 168 CO 0.00 0.00 -0.37 0.15 -1.01 0.00 0.00 177.57 176.34 1cf4 h PHE 169 N 0.00 0.00 0.00 3.17 3.57 -0.87 -2.05 116.94 120.76 1cf4 h PHE 169 Ca 0.04 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 1cf4 h PHE 169 Cb 0.14 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1cf4 h PHE 169 CO 0.00 0.37 -0.67 -0.44 -2.23 0.00 0.00 178.31 175.34 1cf4 h ASP 170 N 0.00 0.00 0.89 0.41 3.32 0.42 -2.75 116.42 118.71 1cf4 h ASP 170 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1cf4 h ASP 170 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1cf4 h ASP 170 CO 0.05 0.67 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.25 1cf4 h GLU 171 N 0.00 0.00 -0.01 3.56 4.39 -0.93 -2.09 114.58 119.50 1cf4 h GLU 171 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1cf4 h GLU 171 Cb 1.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1cf4 h GLU 171 CO 0.09 0.66 -0.18 0.00 -1.16 0.00 0.00 179.01 178.41 1cf4 h ALA 172 N 1.34 0.04 -0.30 3.43 0.00 -1.32 -3.27 119.26 119.17 1cf4 h ALA 172 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1cf4 h ALA 172 Cb 1.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1cf4 h ALA 172 CO 0.09 0.03 -0.13 -0.84 0.00 0.00 0.00 179.25 178.40 1cf4 h ILE 173 N -0.52 1.23 -0.19 0.00 -0.00 -1.55 -3.15 117.51 113.33 1cf4 h ILE 173 Ca -0.02 -1.04 0.04 0.00 -0.00 0.00 0.00 64.86 63.84 1cf4 h ILE 173 Cb 0.92 1.14 -0.07 0.00 -0.00 0.00 0.00 36.82 38.81 1cf4 h ILE 173 CO 0.04 0.34 -0.47 0.25 -0.00 0.00 0.00 178.15 178.31 1cf4 h LEU 174 N 0.48 -1.49 -1.71 0.16 5.85 -1.43 0.29 115.31 117.46 1cf4 h LEU 174 Ca 0.09 0.19 0.23 0.00 0.84 0.00 0.00 57.88 59.23 1cf4 h LEU 174 Cb 0.51 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1cf4 h LEU 174 CO 0.03 -0.43 0.78 0.00 -0.34 0.00 0.00 178.44 178.47 1cf4 h ALA 175 N 0.04 2.61 0.02 1.25 0.00 -1.60 0.21 119.26 121.79 1cf4 h ALA 175 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1cf4 h ALA 175 Cb 0.64 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1cf4 h ALA 175 CO -0.45 -1.18 -0.26 0.00 0.00 0.00 0.00 179.25 177.36 1cf4 h ALA 176 N 1.18 0.01 0.00 0.00 0.00 -0.57 -3.28 119.26 116.60 1cf4 h ALA 176 Ca 0.37 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1cf4 h ALA 176 Cb 1.93 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1cf4 h ALA 176 CO -0.00 0.09 -0.16 -0.07 0.00 0.00 0.00 179.25 179.11 1cf4 h LEU 177 N -0.61 0.00 -7.00 0.00 3.38 0.10 -3.45 115.31 107.74 1cf4 h LEU 177 Ca -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1cf4 h LEU 177 Cb 1.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.68 1cf4 h LEU 177 CO 0.05 0.16 0.21 -1.83 0.09 0.00 0.00 178.44 177.13 1cf4 s GLU 178 N -3.87 1.17 -0.08 1.13 -1.05 0.21 -4.93 118.70 111.27 1cf4 s GLU 178 Ca -0.01 -0.16 -0.30 0.00 -0.15 0.00 0.00 54.97 54.35 1cf4 s GLU 178 Cb 0.11 0.54 -0.03 0.00 -0.44 0.00 0.00 34.13 34.31 1cf4 s GLU 178 CO 0.60 -0.46 1.34 -1.25 0.95 0.00 0.00 175.26 176.44 1cf4 s PRO 179 N -2.67 4.26 1.21 -4.83 0.04 -1.26 -3.66 135.00 128.09 1cf4 s PRO 179 Ca -0.04 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1cf4 s PRO 179 Cb -0.01 -3.70 0.29 0.00 0.04 0.00 0.00 34.50 31.12 1cf4 s PRO 179 CO -0.03 -0.64 1.07 -1.25 0.04 0.00 0.00 177.00 176.19 1cf4 s PRO 180 N 3.02 -1.24 -0.31 0.56 0.04 -1.26 -5.02 135.00 130.78 1cf4 s PRO 180 Ca 0.60 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1cf4 s PRO 180 Cb -0.26 -1.57 0.13 0.00 0.04 0.00 0.00 34.50 32.83 1cf4 s PRO 180 CO 0.21 -3.77 0.26 -1.21 0.04 0.00 0.00 177.00 172.53 1cf4 s GLU 181 N -5.18 0.38 0.00 4.56 8.01 -1.26 -5.15 118.70 120.06 1cf4 s GLU 181 Ca 0.69 -0.54 0.00 0.00 0.01 0.00 0.00 54.97 55.13 1cf4 s GLU 181 Cb -0.13 -0.88 0.00 0.00 -4.31 0.00 0.00 34.13 28.81 1cf4 s GLU 181 CO 0.57 -1.09 0.00 -0.35 0.01 0.00 0.00 175.26 174.41 1cf4 n PRO 182 N 4.91 0.25 -2.77 0.39 -0.04 -1.26 -5.01 135.00 131.47 1cf4 n PRO 182 Ca 0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 1cf4 n PRO 182 Cb 0.44 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.84 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 -1.52 4.75 0.00 0.54 -0.14 -1.26 -5.24 119.74 116.86 1cf4 s LYS 183 Ca 0.00 1.42 0.00 0.00 -1.36 0.00 0.00 55.97 56.03 1cf4 s LYS 183 Cb 0.00 -3.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.06 1cf4 s LYS 183 CO 0.00 0.43 0.15 1.63 -0.76 0.00 0.00 175.35 176.80