#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf4 s LEU 2 N 0.00 4.55 -0.08 4.31 2.96 -1.26 -5.05 118.68 124.11 1xf4 s LEU 2 Ca 0.00 2.14 0.04 0.00 -0.22 0.00 0.00 54.13 56.09 1xf4 s LEU 2 Cb 0.00 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1xf4 s LEU 2 CO 0.00 -0.10 -0.22 0.00 -1.32 0.00 0.00 176.35 174.71 1xf4 s GLN 3 N -1.03 2.62 -0.18 1.98 -2.07 -1.26 -4.97 119.66 114.75 1xf4 s GLN 3 Ca 0.45 -0.79 -0.00 0.00 -1.82 0.00 0.00 55.36 53.20 1xf4 s GLN 3 Cb -0.30 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 29.56 1xf4 s GLN 3 CO 0.37 0.20 -0.14 -1.64 -1.32 0.00 0.00 175.29 172.76 1xf4 s MET 4 N 0.26 3.18 -0.21 9.60 1.00 -1.26 -1.26 119.30 130.61 1xf4 s MET 4 Ca -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 55.69 54.77 1xf4 s MET 4 Cb -0.16 -2.69 -0.01 0.00 0.00 0.00 0.00 34.83 31.97 1xf4 s MET 4 CO 0.07 -0.10 -0.05 0.99 0.00 0.00 0.00 175.02 175.92 1xf4 s THR 5 N 1.11 3.32 -0.07 2.05 2.01 0.14 -4.57 115.64 119.63 1xf4 s THR 5 Ca 0.00 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 1xf4 s THR 5 Cb -0.14 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1xf4 s THR 5 CO -0.05 0.43 -0.03 -1.58 -0.69 0.00 0.00 174.62 172.71 1xf4 s GLN 6 N 1.41 2.87 0.02 4.92 0.74 -1.26 -0.00 119.66 128.35 1xf4 s GLN 6 Ca 0.05 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1xf4 s GLN 6 Cb -0.14 -2.70 -0.01 0.00 1.10 0.00 0.00 33.01 31.25 1xf4 s GLN 6 CO -0.03 0.68 0.01 -1.12 -0.55 0.00 0.00 175.29 174.28 1xf4 s SER 7 N -0.92 0.19 0.78 6.67 0.01 0.12 -4.67 113.70 115.87 1xf4 s SER 7 Ca 0.14 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.95 1xf4 s SER 7 Cb -0.11 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1xf4 s SER 7 CO 0.03 -0.33 0.13 -0.81 0.41 0.00 0.00 173.24 172.67 1xf4 n PRO 8 N 1.52 0.12 -0.04 12.44 -0.04 -1.26 -1.04 135.00 146.70 1xf4 n PRO 8 Ca -0.23 -0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 62.84 1xf4 n PRO 8 Cb 0.55 -0.12 -0.12 0.00 -0.04 0.00 0.00 33.50 33.78 1xf4 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xf4 h ALA 9 N -1.41 0.01 -3.74 0.55 0.00 -1.83 -3.37 119.26 109.47 1xf4 h ALA 9 Ca -0.04 -0.46 -0.46 0.00 0.00 0.00 0.00 54.91 53.95 1xf4 h ALA 9 Cb 0.13 0.01 -0.24 0.00 0.00 0.00 0.00 17.79 17.68 1xf4 h ALA 9 CO 0.03 0.03 -0.80 -1.12 0.00 0.00 0.00 179.25 177.39 1xf4 s SER 10 N -6.24 1.79 -0.04 0.00 0.01 -1.26 0.88 113.70 108.85 1xf4 s SER 10 Ca -0.17 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 56.47 1xf4 s SER 10 Cb -0.00 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1xf4 s SER 10 CO 0.72 0.03 0.28 -0.22 0.41 0.00 0.00 173.24 174.47 1xf4 s LEU 11 N -1.25 0.95 0.13 2.44 2.96 0.70 -4.90 118.68 119.71 1xf4 s LEU 11 Ca 0.02 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.19 1xf4 s LEU 11 Cb -0.08 1.13 -0.04 0.00 0.50 0.00 0.00 46.19 47.70 1xf4 s LEU 11 CO 0.02 -0.35 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.05 1xf4 s SER 12 N -0.96 2.72 0.00 3.68 0.01 -1.26 -0.67 113.70 117.22 1xf4 s SER 12 Ca -0.10 -0.76 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 1xf4 s SER 12 Cb -0.05 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.13 1xf4 s SER 12 CO 0.03 0.04 1.12 0.00 0.41 0.00 0.00 173.24 174.84 1xf4 s ALA 13 N -1.48 -1.98 0.24 1.44 0.00 -0.59 -4.93 121.76 114.47 1xf4 s ALA 13 Ca 0.11 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.87 1xf4 s ALA 13 Cb -0.08 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1xf4 s ALA 13 CO 0.06 -0.92 0.25 -1.12 0.00 0.00 0.00 175.76 174.03 1xf4 s SER 14 N -2.75 5.83 0.64 0.00 0.01 -1.26 -1.21 113.70 114.95 1xf4 s SER 14 Ca 0.11 -0.12 -0.18 0.00 1.31 0.00 0.00 55.95 57.08 1xf4 s SER 14 Cb 0.01 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 1xf4 s SER 14 CO -0.03 -0.04 1.28 -0.69 0.41 0.00 0.00 173.24 174.17 1xf4 s VAL 15 N -2.04 2.12 0.00 3.43 1.01 -1.26 -1.73 120.40 121.92 1xf4 s VAL 15 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1xf4 s VAL 15 Cb -0.09 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1xf4 s VAL 15 CO 0.26 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1xf4 n GLY 16 N 0.83 2.85 3.88 4.51 0.00 0.11 -4.85 105.19 112.53 1xf4 n GLY 16 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1xf4 n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xf4 s GLU 17 N 0.00 3.72 -0.17 1.61 2.12 -0.71 -4.28 118.70 120.99 1xf4 s GLU 17 Ca 0.00 0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.37 1xf4 s GLU 17 Cb 0.00 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.55 1xf4 s GLU 17 CO 0.00 0.43 0.06 0.99 -0.54 0.00 0.00 175.26 176.19 1xf4 s THR 18 N -1.67 4.75 0.19 -1.70 2.01 -1.26 0.32 115.64 118.28 1xf4 s THR 18 Ca 0.42 -0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.42 1xf4 s THR 18 Cb -0.12 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1xf4 s THR 18 CO 0.22 0.49 -0.09 0.68 -0.69 0.00 0.00 174.62 175.22 1xf4 s VAL 19 N 0.16 1.35 -0.05 3.82 -7.23 -1.07 -5.00 120.40 112.38 1xf4 s VAL 19 Ca 0.04 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1xf4 s VAL 19 Cb -0.12 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.78 1xf4 s VAL 19 CO 0.01 -0.59 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.21 1xf4 s THR 20 N -3.22 0.95 -0.16 5.32 2.01 -1.26 -2.01 115.64 117.28 1xf4 s THR 20 Ca 0.22 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1xf4 s THR 20 Cb 0.02 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1xf4 s THR 20 CO 0.05 0.30 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.56 1xf4 s ILE 21 N 0.49 3.30 -0.03 1.82 1.01 0.01 -4.77 121.20 123.03 1xf4 s ILE 21 Ca -0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1xf4 s ILE 21 Cb -0.13 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 1xf4 s ILE 21 CO 0.02 0.49 0.16 0.42 0.00 0.00 0.00 174.94 176.03 1xf4 s THR 22 N 0.66 5.33 -0.06 2.92 -4.23 -0.21 0.24 115.64 120.29 1xf4 s THR 22 Ca -0.05 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1xf4 s THR 22 Cb -0.15 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1xf4 s THR 22 CO 0.02 0.38 -0.01 0.00 -0.54 0.00 0.00 174.62 174.48 1xf4 s ARG 24 N 1.59 3.41 0.06 0.00 3.00 1.00 -1.39 118.95 126.62 1xf4 s ARG 24 Ca -0.01 -0.64 -0.12 0.00 -1.00 0.00 0.00 55.73 53.96 1xf4 s ARG 24 Cb -0.13 -2.82 -0.06 0.00 0.00 0.00 0.00 34.95 31.94 1xf4 s ARG 24 CO -0.04 0.04 0.42 0.00 0.00 0.00 0.00 175.30 175.73 1xf4 s ALA 25 N 0.83 3.70 -2.11 6.12 0.00 -0.77 -0.68 121.76 128.83 1xf4 s ALA 25 Ca -0.03 -0.29 0.15 0.00 0.00 0.00 0.00 51.96 51.79 1xf4 s ALA 25 Cb -0.15 -2.34 0.49 0.00 0.00 0.00 0.00 23.12 21.12 1xf4 s ALA 25 CO 0.01 0.52 1.38 -1.13 0.00 0.00 0.00 175.76 176.54 1xf4 n SER 26 N 1.22 1.86 -3.55 0.00 3.41 -0.39 -4.76 113.62 111.41 1xf4 n SER 26 Ca -0.10 -1.88 -0.17 0.00 -0.26 0.00 0.00 58.87 56.46 1xf4 n SER 26 Cb 0.52 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 1xf4 n SER 26 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1xf4 s GLU 27 N -1.62 1.01 -0.37 4.33 1.03 -1.26 -4.90 118.70 116.92 1xf4 s GLU 27 Ca 0.28 0.14 -0.29 0.00 0.03 0.00 0.00 54.97 55.13 1xf4 s GLU 27 Cb 0.15 0.47 -0.08 0.00 -0.80 0.00 0.00 34.13 33.87 1xf4 s GLU 27 CO 0.21 -0.32 2.30 -1.71 -1.33 0.00 0.00 175.26 174.41 1xf4 n ASN 28 N 0.88 2.57 -1.98 0.83 5.15 -1.26 -4.70 115.26 116.75 1xf4 n ASN 28 Ca -0.19 0.03 -0.21 0.00 -0.60 0.00 0.00 54.58 53.61 1xf4 n ASN 28 Cb 0.57 -1.47 0.17 0.00 -0.53 0.00 0.00 39.78 38.52 1xf4 n ASN 28 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xf4 n ILE 29 N 7.70 3.09 0.00 -1.44 -5.35 -0.31 -5.02 119.36 118.03 1xf4 n ILE 29 Ca 0.37 -2.32 0.00 0.00 -0.27 0.00 0.00 62.75 60.53 1xf4 n ILE 29 Cb 0.41 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 1xf4 n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1xf4 n TYR 30 N -1.10 0.00 -2.01 4.28 4.02 -1.26 -0.66 117.16 120.43 1xf4 n TYR 30 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.42 1xf4 n TYR 30 Cb 1.38 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.70 1xf4 n TYR 30 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xf4 n SER 31 N 1.23 0.01 -3.49 7.72 3.41 -1.26 0.58 113.62 121.83 1xf4 n SER 31 Ca 0.00 -1.94 -0.40 0.00 -0.26 0.00 0.00 58.87 56.27 1xf4 n SER 31 Cb 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1xf4 n SER 31 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1xf4 n TYR 32 N 0.01 2.65 -5.03 7.33 4.01 0.16 -2.63 117.16 123.65 1xf4 n TYR 32 Ca 0.00 -2.93 -0.31 0.00 -0.16 0.00 0.00 57.90 54.50 1xf4 n TYR 32 Cb 0.69 -2.14 -0.15 0.00 -0.31 0.00 0.00 39.34 37.44 1xf4 n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xf4 s LEU 33 N -0.74 2.28 0.19 7.72 2.96 -1.26 -1.07 118.68 128.75 1xf4 s LEU 33 Ca 0.57 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1xf4 s LEU 33 Cb 0.17 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1xf4 s LEU 33 CO -0.07 0.30 -0.19 0.00 -1.32 0.00 0.00 176.35 175.07 1xf4 s ALA 34 N -0.73 2.19 0.08 5.97 0.00 0.74 0.21 121.76 130.22 1xf4 s ALA 34 Ca 0.11 -1.59 0.09 0.00 0.00 0.00 0.00 51.96 50.57 1xf4 s ALA 34 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1xf4 s ALA 34 CO 0.01 0.25 -0.25 -1.58 0.00 0.00 0.00 175.76 174.19 1xf4 s TRP 35 N -2.19 2.14 0.10 0.00 0.52 0.16 -1.30 118.94 118.36 1xf4 s TRP 35 Ca 0.19 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.96 1xf4 s TRP 35 Cb -0.05 -1.23 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1xf4 s TRP 35 CO 0.08 0.19 -0.12 0.71 0.02 0.00 0.00 176.95 177.83 1xf4 s TYR 36 N -0.92 1.16 -0.03 -1.98 1.51 0.62 -1.21 117.35 116.50 1xf4 s TYR 36 Ca 0.11 -0.59 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 1xf4 s TYR 36 Cb -0.10 -0.63 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1xf4 s TYR 36 CO 0.03 0.05 -0.21 -1.14 -1.11 0.00 0.00 175.55 173.17 1xf4 s GLN 37 N -2.52 1.85 -0.07 -0.62 0.74 0.01 -1.15 119.66 117.90 1xf4 s GLN 37 Ca 0.04 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.66 1xf4 s GLN 37 Cb -0.05 -1.72 0.04 0.00 1.10 0.00 0.00 33.01 32.38 1xf4 s GLN 37 CO 0.01 0.42 0.15 -1.14 -0.55 0.00 0.00 175.29 174.18 1xf4 s GLN 38 N -0.37 0.11 0.15 1.67 0.74 -0.42 0.10 119.66 121.63 1xf4 s GLN 38 Ca 0.05 0.38 0.04 0.00 0.05 0.00 0.00 55.36 55.88 1xf4 s GLN 38 Cb -0.09 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.81 1xf4 s GLN 38 CO 0.00 -0.16 0.15 0.15 -0.55 0.00 0.00 175.29 174.88 1xf4 s LYS 39 N 1.13 2.98 -0.42 1.67 1.02 -1.26 -1.41 119.74 123.44 1xf4 s LYS 39 Ca -0.09 -0.80 -0.40 0.00 0.02 0.00 0.00 55.97 54.71 1xf4 s LYS 39 Cb -0.11 -2.71 -0.15 0.00 -0.52 0.00 0.00 37.83 34.34 1xf4 s LYS 39 CO -0.06 0.50 2.14 0.94 -0.92 0.00 0.00 175.35 177.96 1xf4 n GLN 40 N -0.24 0.54 -0.26 1.68 -0.06 -1.26 -0.93 117.38 116.84 1xf4 n GLN 40 Ca -0.08 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.07 1xf4 n GLN 40 Cb 0.54 -1.96 0.00 0.00 -4.06 0.00 0.00 30.24 24.76 1xf4 n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xf4 n GLY 41 N 6.89 0.79 3.59 1.69 0.00 -1.26 -5.04 105.19 111.86 1xf4 n GLY 41 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.25 1xf4 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf4 s LYS 42 N -0.74 2.04 0.46 1.61 1.02 -0.11 -5.13 119.74 118.90 1xf4 s LYS 42 Ca 0.00 -1.66 -0.20 0.00 0.02 0.00 0.00 55.97 54.13 1xf4 s LYS 42 Cb 0.00 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1xf4 s LYS 42 CO 0.00 0.25 0.98 -1.12 -0.92 0.00 0.00 175.35 174.54 1xf4 s SER 43 N -3.65 6.68 0.70 2.83 0.01 -1.26 -4.58 113.70 114.42 1xf4 s SER 43 Ca 0.33 1.76 -0.16 0.00 1.31 0.00 0.00 55.95 59.19 1xf4 s SER 43 Cb -0.03 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1xf4 s SER 43 CO 0.18 -0.54 1.22 -2.84 0.41 0.00 0.00 173.24 171.67 1xf4 s PRO 44 N -3.30 2.31 -0.09 12.44 0.02 -1.26 -4.73 135.00 140.39 1xf4 s PRO 44 Ca 0.64 1.82 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1xf4 s PRO 44 Cb -0.12 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1xf4 s PRO 44 CO 0.17 -1.72 -0.14 -1.14 -0.33 0.00 0.00 177.00 173.84 1xf4 s GLN 45 N -3.75 2.06 0.17 5.54 0.74 0.29 -4.93 119.66 119.77 1xf4 s GLN 45 Ca 0.76 -0.51 -0.31 0.00 0.05 0.00 0.00 55.36 55.34 1xf4 s GLN 45 Cb -0.31 -1.74 -0.10 0.00 1.10 0.00 0.00 33.01 31.97 1xf4 s GLN 45 CO 0.43 -0.03 1.54 -1.17 -0.55 0.00 0.00 175.29 175.51 1xf4 s LEU 46 N 0.88 4.37 -0.11 3.68 2.96 -1.26 -0.81 118.68 128.38 1xf4 s LEU 46 Ca -0.09 2.59 -0.05 0.00 -0.22 0.00 0.00 54.13 56.36 1xf4 s LEU 46 Cb -0.15 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.89 1xf4 s LEU 46 CO 0.01 -0.80 -0.14 0.18 -1.32 0.00 0.00 176.35 174.28 1xf4 n LEU 47 N 3.85 1.14 -3.79 -0.68 4.77 -0.35 -4.73 117.00 117.21 1xf4 n LEU 47 Ca 0.13 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1xf4 n LEU 47 Cb 0.39 -0.34 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 1xf4 n LEU 47 CO 0.61 0.31 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.97 1xf4 s VAL 48 N -2.21 -0.04 0.31 4.08 1.01 -1.19 -0.53 120.40 121.84 1xf4 s VAL 48 Ca -0.16 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1xf4 s VAL 48 Cb 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 36.38 36.26 1xf4 s VAL 48 CO 0.21 0.06 0.00 -0.72 0.00 0.00 0.00 175.10 174.65 1xf4 s TYR 49 N 0.83 2.00 -1.45 5.22 -0.85 -0.67 0.37 117.35 122.80 1xf4 s TYR 49 Ca -0.07 -0.82 -0.09 0.00 -0.52 0.00 0.00 57.07 55.57 1xf4 s TYR 49 Cb -0.09 -1.25 0.05 0.00 0.38 0.00 0.00 41.96 41.04 1xf4 s TYR 49 CO -0.03 0.16 0.72 -1.71 -1.52 0.00 0.00 175.55 173.17 1xf4 n ASN 50 N -0.66 -5.12 0.00 -0.18 4.05 -1.06 -1.50 115.26 110.79 1xf4 n ASN 50 Ca -0.04 -0.45 0.00 0.00 0.45 0.00 0.00 54.58 54.54 1xf4 n ASN 50 Cb 0.65 -4.14 0.00 0.00 1.23 0.00 0.00 39.78 37.53 1xf4 n ASN 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xf4 n ALA 51 N -3.95 0.00 -1.22 5.20 0.00 0.13 -4.21 120.51 116.46 1xf4 n ALA 51 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xf4 n ALA 51 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1xf4 n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xf4 n LYS 52 N 0.00 0.00 -3.40 0.00 2.85 -1.21 -2.38 118.16 114.02 1xf4 n LYS 52 Ca 0.00 -0.24 -0.37 0.00 -1.05 0.00 0.00 58.31 56.64 1xf4 n LYS 52 Cb 0.00 -0.39 -0.06 0.00 -0.65 0.00 0.00 35.03 33.92 1xf4 n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xf4 s THR 53 N 0.00 5.21 0.35 0.58 2.01 -0.56 -4.54 115.64 118.69 1xf4 s THR 53 Ca 0.00 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 62.57 1xf4 s THR 53 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 1xf4 s THR 53 CO 0.00 0.38 0.96 -0.76 -0.69 0.00 0.00 174.62 174.50 1xf4 s LEU 54 N 0.37 4.23 0.92 4.42 1.43 -1.26 -1.67 118.68 127.12 1xf4 s LEU 54 Ca 0.23 1.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1xf4 s LEU 54 Cb -0.15 -4.15 0.14 0.00 0.03 0.00 0.00 46.19 42.06 1xf4 s LEU 54 CO 0.09 -0.17 1.12 0.00 0.23 0.00 0.00 176.35 177.61 1xf4 s ALA 55 N -1.75 1.60 0.11 4.21 0.00 0.31 -4.89 121.76 121.34 1xf4 s ALA 55 Ca 0.54 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 1xf4 s ALA 55 Cb -0.17 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1xf4 s ALA 55 CO 0.22 -2.36 1.28 -1.21 0.00 0.00 0.00 175.76 173.68 1xf4 s GLU 56 N -5.15 4.40 0.00 0.00 2.02 -1.26 -2.69 118.70 116.01 1xf4 s GLU 56 Ca 0.64 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.54 1xf4 s GLU 56 Cb -0.16 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1xf4 s GLU 56 CO 0.55 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1xf4 n GLY 57 N 3.13 2.87 3.68 -1.39 0.00 -1.26 -5.02 105.19 107.20 1xf4 n GLY 57 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1xf4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf4 s VAL 58 N -2.85 2.98 0.65 1.61 1.01 -1.10 -4.91 120.40 117.80 1xf4 s VAL 58 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1xf4 s VAL 58 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1xf4 s VAL 58 CO 0.00 -0.01 0.70 -2.65 0.00 0.00 0.00 175.10 173.14 1xf4 n PRO 59 N 6.06 0.54 0.20 2.72 -0.02 -1.26 -4.90 135.00 138.34 1xf4 n PRO 59 Ca 0.17 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.94 1xf4 n PRO 59 Cb 0.40 -1.93 0.42 0.00 -0.02 0.00 0.00 33.50 32.37 1xf4 n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xf4 h SER 60 N 0.03 0.00 -0.68 2.55 4.64 -2.00 -3.16 113.55 114.93 1xf4 h SER 60 Ca -0.47 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.05 1xf4 h SER 60 Cb 1.37 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.43 1xf4 h SER 60 CO 0.47 0.32 0.52 0.08 -0.87 0.00 0.00 176.83 177.34 1xf4 h ARG 61 N 0.00 0.00 -6.84 4.77 0.11 -1.90 -3.41 114.38 107.11 1xf4 h ARG 61 Ca -0.00 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.59 1xf4 h ARG 61 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1xf4 h ARG 61 CO 0.04 0.00 0.41 -0.06 0.10 0.00 0.00 179.97 180.46 1xf4 s PHE 62 N -4.93 3.64 -0.30 4.08 0.08 -1.20 -0.38 117.98 118.97 1xf4 s PHE 62 Ca -0.05 1.76 -0.05 0.00 0.12 0.00 0.00 56.93 58.71 1xf4 s PHE 62 Cb 0.20 -3.12 0.16 0.00 -0.57 0.00 0.00 43.02 39.70 1xf4 s PHE 62 CO 0.72 -0.18 0.61 0.45 -0.10 0.00 0.00 175.22 176.72 1xf4 s SER 63 N -1.22 -1.26 0.26 1.36 0.15 0.76 -4.98 113.70 108.77 1xf4 s SER 63 Ca 0.47 1.14 -0.02 0.00 0.70 0.00 0.00 55.95 58.25 1xf4 s SER 63 Cb -0.26 2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 66.20 1xf4 s SER 63 CO 0.33 -0.24 0.48 -0.83 1.20 0.00 0.00 173.24 174.17 1xf4 s GLY 64 N 2.87 1.70 0.00 9.45 0.00 -1.26 -0.29 107.32 119.79 1xf4 s GLY 64 Ca 0.10 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.76 1xf4 s GLY 64 CO -0.20 -0.70 0.66 -1.35 0.00 0.00 0.00 173.10 171.51 1xf4 s SER 65 N -3.37 -0.64 0.00 1.64 1.04 -0.92 -4.48 113.70 106.98 1xf4 s SER 65 Ca 0.40 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1xf4 s SER 65 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1xf4 s SER 65 CO 0.31 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1xf4 n GLY 66 N 0.58 1.82 3.62 7.32 0.00 -1.26 -1.66 105.19 115.61 1xf4 n GLY 66 Ca -0.18 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 1xf4 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf4 s SER 67 N 0.00 -0.38 0.00 1.61 0.01 -0.64 -4.91 113.70 109.39 1xf4 s SER 67 Ca 0.00 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1xf4 s SER 67 Cb 0.00 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1xf4 s SER 67 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1xf4 n GLY 68 N 1.72 1.78 0.00 3.44 0.00 0.20 -2.94 105.19 109.39 1xf4 n GLY 68 Ca -0.11 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1xf4 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xf4 n THR 69 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -1.17 114.28 108.20 1xf4 n THR 69 Ca 0.00 -0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 1xf4 n THR 69 Cb 0.00 0.80 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 1xf4 n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1xf4 s GLN 70 N -0.62 3.44 0.09 -0.78 -1.52 -1.15 -1.85 119.66 117.27 1xf4 s GLN 70 Ca 0.00 -0.60 0.02 0.00 -1.95 0.00 0.00 55.36 52.83 1xf4 s GLN 70 Cb 0.00 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.75 1xf4 s GLN 70 CO 0.00 -0.11 -0.07 -0.06 -0.25 0.00 0.00 175.29 174.80 1xf4 s PHE 71 N 1.27 0.87 0.00 0.91 0.40 -0.49 -1.62 117.98 119.31 1xf4 s PHE 71 Ca 0.03 -0.80 -0.21 0.00 -0.60 0.00 0.00 56.93 55.35 1xf4 s PHE 71 Cb -0.14 -0.50 0.04 0.00 0.51 0.00 0.00 43.02 42.93 1xf4 s PHE 71 CO -0.01 -0.12 0.47 -1.54 0.70 0.00 0.00 175.22 174.73 1xf4 s SER 72 N -2.67 -0.39 -0.18 1.36 1.04 -0.67 -1.45 113.70 110.74 1xf4 s SER 72 Ca 0.07 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1xf4 s SER 72 Cb 0.01 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1xf4 s SER 72 CO -0.03 -0.59 -0.19 -0.22 0.98 0.00 0.00 173.24 173.19 1xf4 s LEU 73 N -1.57 2.20 -0.22 2.42 2.96 0.14 -2.16 118.68 122.45 1xf4 s LEU 73 Ca -0.09 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.09 1xf4 s LEU 73 Cb -0.02 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1xf4 s LEU 73 CO 0.03 -0.00 0.10 -0.75 -1.32 0.00 0.00 176.35 174.41 1xf4 s LYS 74 N 1.30 3.96 -0.37 1.98 2.20 0.60 -0.81 119.74 128.61 1xf4 s LYS 74 Ca 0.05 -0.33 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 1xf4 s LYS 74 Cb -0.13 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1xf4 s LYS 74 CO -0.12 0.11 0.18 0.42 -0.36 0.00 0.00 175.35 175.58 1xf4 s ILE 75 N 0.85 4.09 0.36 5.43 1.01 -0.85 -0.17 121.20 131.91 1xf4 s ILE 75 Ca 0.05 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.28 1xf4 s ILE 75 Cb -0.13 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 1xf4 s ILE 75 CO 0.03 -0.30 0.98 0.20 0.00 0.00 0.00 174.94 175.84 1xf4 s ASN 76 N 1.66 7.11 -0.73 3.58 0.01 0.48 -2.61 114.94 124.43 1xf4 s ASN 76 Ca 0.01 1.89 -0.06 0.00 -0.71 0.00 0.00 52.86 53.99 1xf4 s ASN 76 Cb -0.21 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.89 1xf4 s ASN 76 CO 0.03 -0.24 0.50 -1.20 -1.51 0.00 0.00 177.10 174.68 1xf4 n SER 77 N 0.23 -3.74 -4.40 -1.22 7.64 -1.22 -4.75 113.62 106.16 1xf4 n SER 77 Ca 0.03 -0.85 -0.43 0.00 1.01 0.00 0.00 58.87 58.63 1xf4 n SER 77 Cb 0.50 -1.28 -0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1xf4 n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xf4 n LEU 78 N -2.65 -1.12 -4.50 -3.43 4.77 0.15 -4.24 117.00 105.98 1xf4 n LEU 78 Ca -0.23 0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 56.43 1xf4 n LEU 78 Cb 0.54 -1.02 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1xf4 n LEU 78 CO 0.53 -3.30 -0.46 -1.10 -1.33 0.00 0.00 177.39 171.73 1xf4 s GLN 79 N -1.30 1.76 0.28 3.23 -1.52 -1.26 0.07 119.66 120.93 1xf4 s GLN 79 Ca 0.62 -1.73 0.02 0.00 -1.95 0.00 0.00 55.36 52.32 1xf4 s GLN 79 Cb -0.66 -1.82 0.64 0.00 -0.22 0.00 0.00 33.01 30.95 1xf4 s GLN 79 CO 0.60 0.33 1.74 -1.35 -0.25 0.00 0.00 175.29 176.35 1xf4 h PRO 80 N 2.21 0.55 0.00 2.91 0.11 -1.99 -0.52 132.00 135.26 1xf4 h PRO 80 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xf4 h PRO 80 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xf4 h PRO 80 CO 0.60 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.81 1xf4 h GLU 81 N 0.57 0.00 0.00 1.05 9.09 -2.00 -2.82 114.58 120.46 1xf4 h GLU 81 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1xf4 h GLU 81 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 1xf4 h GLU 81 CO -0.43 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.19 1xf4 h ASP 82 N 0.00 0.00 -3.50 3.06 3.32 -1.50 -3.45 116.42 114.35 1xf4 h ASP 82 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1xf4 h ASP 82 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1xf4 h ASP 82 CO 0.00 0.00 0.39 -0.36 -1.72 0.00 0.00 179.24 177.55 1xf4 s PHE 83 N -3.34 3.73 -5.00 4.55 0.08 -1.07 -4.81 117.98 112.12 1xf4 s PHE 83 Ca 0.05 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.82 1xf4 s PHE 83 Cb 0.06 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 1xf4 s PHE 83 CO 0.63 -0.04 0.00 0.41 -0.10 0.00 0.00 175.22 176.12 1xf4 n GLY 84 N 2.45 -0.28 3.42 4.36 0.00 -0.93 -4.96 105.19 109.25 1xf4 n GLY 84 Ca 0.04 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1xf4 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf4 s SER 85 N -4.00 3.44 0.03 1.61 0.01 -0.50 -0.43 113.70 113.86 1xf4 s SER 85 Ca 0.00 -0.85 0.07 0.00 1.31 0.00 0.00 55.95 56.48 1xf4 s SER 85 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 1xf4 s SER 85 CO 0.00 0.13 -0.22 -0.31 0.41 0.00 0.00 173.24 173.25 1xf4 s TYR 86 N -1.62 1.93 -0.02 2.43 1.51 -0.14 -1.30 117.35 120.14 1xf4 s TYR 86 Ca 0.20 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1xf4 s TYR 86 Cb -0.08 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1xf4 s TYR 86 CO 0.10 0.06 -0.08 0.71 -1.11 0.00 0.00 175.55 175.22 1xf4 s TYR 87 N -0.71 0.83 0.33 2.71 1.51 -0.30 -1.36 117.35 120.34 1xf4 s TYR 87 Ca 0.08 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 1xf4 s TYR 87 Cb -0.09 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.16 1xf4 s TYR 87 CO 0.01 -0.06 0.53 0.00 -1.11 0.00 0.00 175.55 174.92 1xf4 s GLN 89 N -4.19 0.54 0.12 0.00 0.74 -0.42 0.15 119.66 116.59 1xf4 s GLN 89 Ca 0.40 1.08 -0.31 0.00 0.05 0.00 0.00 55.36 56.58 1xf4 s GLN 89 Cb -0.10 0.19 -0.09 0.00 1.10 0.00 0.00 33.01 34.12 1xf4 s GLN 89 CO 0.35 -0.17 1.49 -1.58 -0.55 0.00 0.00 175.29 174.83 1xf4 s HIS 90 N 1.83 3.05 0.00 1.67 5.65 -0.78 -0.19 115.29 126.52 1xf4 s HIS 90 Ca -0.08 0.74 0.00 0.00 0.25 0.00 0.00 55.06 55.97 1xf4 s HIS 90 Cb -0.08 -3.81 0.00 0.00 -1.18 0.00 0.00 32.58 27.51 1xf4 s HIS 90 CO -0.16 -2.96 0.00 -2.39 -0.65 0.00 0.00 174.74 168.58 1xf4 n HIS 91 N 4.26 0.00 -0.01 3.88 -0.00 -0.23 -3.78 115.22 119.34 1xf4 n HIS 91 Ca 0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.72 1xf4 n HIS 91 Cb 0.41 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.26 1xf4 n HIS 91 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 1xf4 h TYR 92 N 0.00 0.16 -2.29 -1.40 -1.99 -1.93 -3.49 116.97 106.03 1xf4 h TYR 92 Ca 0.00 -0.12 -0.56 0.00 2.00 0.00 0.00 58.73 60.05 1xf4 h TYR 92 Cb 0.00 -0.01 -0.14 0.00 2.00 0.00 0.00 36.73 38.59 1xf4 h TYR 92 CO 0.00 1.24 -0.69 0.20 -0.00 0.00 0.00 178.16 178.91 1xf4 s GLY 93 N -5.23 1.97 0.18 3.88 0.00 -1.26 -5.09 107.32 101.76 1xf4 s GLY 93 Ca -0.10 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.36 1xf4 s GLY 93 CO 0.81 -1.94 1.06 -0.51 0.00 0.00 0.00 173.10 172.53 1xf4 s THR 94 N -2.76 3.97 -0.01 0.90 -4.23 -1.26 -3.00 115.64 109.25 1xf4 s THR 94 Ca 0.30 1.72 -0.17 0.00 -1.18 0.00 0.00 61.69 62.37 1xf4 s THR 94 Cb 0.01 -4.10 -0.06 0.00 1.34 0.00 0.00 72.50 69.70 1xf4 s THR 94 CO 0.14 0.31 0.47 -2.84 -0.54 0.00 0.00 174.62 172.16 1xf4 s PRO 95 N -0.44 4.10 -0.87 3.99 0.02 -1.26 -5.03 135.00 135.52 1xf4 s PRO 95 Ca 0.48 0.51 -0.13 0.00 0.02 0.00 0.00 61.00 61.88 1xf4 s PRO 95 Cb -0.28 -3.28 -0.10 0.00 0.02 0.00 0.00 34.50 30.86 1xf4 s PRO 95 CO 0.34 0.55 2.03 1.28 -0.33 0.00 0.00 177.00 180.86 1xf4 n LEU 96 N 2.25 4.61 -4.73 -5.54 4.32 -1.16 -4.84 117.00 111.90 1xf4 n LEU 96 Ca -0.11 -2.93 -0.41 0.00 -0.02 0.00 0.00 56.01 52.53 1xf4 n LEU 96 Cb 0.52 -1.12 -0.03 0.00 -1.62 0.00 0.00 43.42 41.16 1xf4 n LEU 96 CO 0.40 0.18 0.90 -0.89 -1.22 0.00 0.00 177.39 176.76 1xf4 s THR 97 N 4.13 3.55 0.19 -5.08 2.01 -1.25 -4.69 115.64 114.52 1xf4 s THR 97 Ca 0.48 1.28 -0.13 0.00 0.31 0.00 0.00 61.69 63.63 1xf4 s THR 97 Cb 0.12 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 1xf4 s THR 97 CO 0.03 0.19 0.57 -0.36 -0.69 0.00 0.00 174.62 174.36 1xf4 s PHE 98 N 0.09 3.52 1.20 4.92 0.08 -1.26 -1.87 117.98 124.66 1xf4 s PHE 98 Ca 0.54 1.01 -0.17 0.00 0.12 0.00 0.00 56.93 58.43 1xf4 s PHE 98 Cb -0.33 -2.35 0.29 0.00 -0.57 0.00 0.00 43.02 40.06 1xf4 s PHE 98 CO 0.36 0.34 1.04 0.20 -0.10 0.00 0.00 175.22 177.06 1xf4 s GLY 99 N -2.01 1.52 0.33 4.36 0.00 0.12 -4.77 107.32 106.87 1xf4 s GLY 99 Ca 0.43 -0.56 0.17 0.00 0.00 0.00 0.00 44.72 44.76 1xf4 s GLY 99 CO 0.20 0.25 1.57 0.00 0.00 0.00 0.00 173.10 175.11 1xf4 h ALA 100 N -2.65 0.80 0.00 3.20 0.00 -1.87 -3.44 119.26 115.29 1xf4 h ALA 100 Ca -0.52 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1xf4 h ALA 100 Cb 1.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xf4 h ALA 100 CO 0.43 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.62 1xf4 n GLY 101 N 0.86 2.65 3.14 0.00 0.00 -1.26 -5.06 105.19 105.51 1xf4 n GLY 101 Ca 0.01 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1xf4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xf4 s THR 102 N -2.01 1.87 -0.12 2.61 2.01 -0.47 -4.45 115.64 115.08 1xf4 s THR 102 Ca 0.00 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1xf4 s THR 102 Cb 0.00 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1xf4 s THR 102 CO 0.00 0.51 0.43 -0.75 -0.69 0.00 0.00 174.62 174.12 1xf4 s LYS 103 N 0.83 4.29 -0.22 4.92 2.20 0.26 -0.96 119.74 131.06 1xf4 s LYS 103 Ca -0.08 0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1xf4 s LYS 103 Cb -0.16 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1xf4 s LYS 103 CO -0.01 0.21 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.90 1xf4 s LEU 104 N 0.47 2.78 0.31 5.43 2.96 0.43 -0.21 118.68 130.84 1xf4 s LEU 104 Ca 0.24 -0.79 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1xf4 s LEU 104 Cb -0.15 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 44.89 1xf4 s LEU 104 CO 0.09 -0.07 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.36 1xf4 s GLU 105 N 1.30 1.66 0.12 1.98 2.02 0.16 -2.19 118.70 123.76 1xf4 s GLU 105 Ca 0.02 -1.85 -0.10 0.00 0.02 0.00 0.00 54.97 53.06 1xf4 s GLU 105 Cb -0.15 -1.40 -0.06 0.00 0.10 0.00 0.00 34.13 32.61 1xf4 s GLU 105 CO -0.08 0.09 0.45 -0.51 0.02 0.00 0.00 175.26 175.24 1xf4 s LEU 106 N -3.51 4.31 0.05 1.80 1.43 -1.26 -1.54 118.68 119.96 1xf4 s LEU 106 Ca 0.31 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 1xf4 s LEU 106 Cb 0.03 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 1xf4 s LEU 106 CO 0.14 0.11 0.18 -0.54 0.23 0.00 0.00 176.35 176.47 1xf4 s LYS 107 N -2.14 3.33 0.32 1.70 1.02 -0.35 -4.73 119.74 118.88 1xf4 s LYS 107 Ca 0.37 -0.47 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 1xf4 s LYS 107 Cb -0.14 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 1xf4 s LYS 107 CO 0.19 0.61 0.52 2.89 -0.92 0.00 0.00 175.35 178.65 1xf4 n ARG 108 N 0.44 0.75 -2.82 1.68 1.85 -1.26 -4.82 116.66 112.49 1xf4 n ARG 108 Ca -0.07 -2.20 -0.35 0.00 -1.00 0.00 0.00 57.85 54.23 1xf4 n ARG 108 Cb 0.51 2.34 -0.07 0.00 -1.05 0.00 0.00 32.46 34.20 1xf4 n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xf4 s ALA 109 N -2.33 3.14 0.18 2.89 0.00 -1.26 -5.01 121.76 119.37 1xf4 s ALA 109 Ca 0.20 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 1xf4 s ALA 109 Cb -0.02 -3.15 -0.17 0.00 0.00 0.00 0.00 23.12 19.78 1xf4 s ALA 109 CO 0.15 0.16 0.78 -0.25 0.00 0.00 0.00 175.76 176.60 1xf4 n ASP 110 N -0.02 -0.27 -3.69 0.00 8.00 -1.26 -4.77 116.55 114.54 1xf4 n ASP 110 Ca 0.04 1.14 -0.15 0.00 0.71 0.00 0.00 54.79 56.53 1xf4 n ASP 110 Cb 0.52 -1.04 -0.15 0.00 -0.02 0.00 0.00 41.12 40.43 1xf4 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xf4 s ALA 111 N -0.74 -0.25 0.49 2.24 0.00 0.15 -4.90 121.76 118.75 1xf4 s ALA 111 Ca 0.68 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 1xf4 s ALA 111 Cb -0.93 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 1xf4 s ALA 111 CO 0.56 -0.43 1.28 0.00 0.00 0.00 0.00 175.76 177.17 1xf4 s ALA 112 N 1.91 2.96 0.42 0.00 0.00 -1.26 -1.42 121.76 124.37 1xf4 s ALA 112 Ca -0.02 1.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 1xf4 s ALA 112 Cb -0.12 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.42 1xf4 s ALA 112 CO -0.06 -1.00 0.97 -1.25 0.00 0.00 0.00 175.76 174.42 1xf4 s PRO 113 N -2.70 4.21 -0.48 0.00 0.04 -1.26 -4.53 135.00 130.28 1xf4 s PRO 113 Ca 0.66 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1xf4 s PRO 113 Cb -0.35 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1xf4 s PRO 113 CO 0.43 -0.05 0.69 0.99 0.04 0.00 0.00 177.00 179.10 1xf4 s THR 114 N -2.05 4.76 -0.16 1.26 2.01 -0.22 -4.84 115.64 116.40 1xf4 s THR 114 Ca 0.61 -0.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 1xf4 s THR 114 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 1xf4 s THR 114 CO 0.16 -0.76 0.30 -0.69 -0.69 0.00 0.00 174.62 172.94 1xf4 s VAL 115 N 2.97 5.30 -0.04 3.82 1.01 -1.25 0.01 120.40 132.23 1xf4 s VAL 115 Ca 0.22 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.80 1xf4 s VAL 115 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 1xf4 s VAL 115 CO 0.17 0.38 -0.14 -0.44 0.00 0.00 0.00 175.10 175.06 1xf4 s SER 116 N 0.50 1.84 -0.09 3.32 0.01 0.88 -4.95 113.70 115.21 1xf4 s SER 116 Ca 0.17 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 1xf4 s SER 116 Cb -0.13 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1xf4 s SER 116 CO 0.04 0.13 -0.05 -0.51 0.41 0.00 0.00 173.24 173.26 1xf4 s ILE 117 N 0.06 3.82 -0.08 1.44 2.07 -1.26 0.12 121.20 127.37 1xf4 s ILE 117 Ca -0.03 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 58.82 1xf4 s ILE 117 Cb -0.10 -2.60 0.01 0.00 0.13 0.00 0.00 42.46 39.90 1xf4 s ILE 117 CO 0.01 0.58 -0.17 -0.36 -1.91 0.00 0.00 174.94 173.09 1xf4 s PHE 118 N -0.54 1.92 0.62 3.50 0.40 0.26 -4.98 117.98 119.16 1xf4 s PHE 118 Ca 0.08 -0.75 -0.15 0.00 -0.60 0.00 0.00 56.93 55.51 1xf4 s PHE 118 Cb -0.12 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 1xf4 s PHE 118 CO 0.02 -0.33 1.07 -2.14 0.70 0.00 0.00 175.22 174.54 1xf4 s PRO 119 N 0.52 3.14 0.27 0.24 0.02 -1.26 -2.06 135.00 135.86 1xf4 s PRO 119 Ca -0.16 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 61.80 1xf4 s PRO 119 Cb -0.17 -2.01 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 1xf4 s PRO 119 CO 0.06 -0.96 1.08 -2.30 -0.33 0.00 0.00 177.00 174.55 1xf4 n PRO 120 N -2.23 1.42 -2.54 5.54 -0.02 -1.22 -4.82 135.00 131.13 1xf4 n PRO 120 Ca 0.09 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 1xf4 n PRO 120 Cb 0.53 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1xf4 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xf4 s SER 121 N -0.40 7.18 0.37 2.55 1.04 -1.26 -4.93 113.70 118.25 1xf4 s SER 121 Ca 0.61 2.15 0.09 0.00 0.48 0.00 0.00 55.95 59.28 1xf4 s SER 121 Cb -0.71 -2.61 0.82 0.00 0.10 0.00 0.00 66.02 63.62 1xf4 s SER 121 CO 0.58 -0.20 1.92 0.77 0.98 0.00 0.00 173.24 177.29 1xf4 h SER 122 N 3.48 0.61 -0.16 7.02 4.64 -1.99 0.02 113.55 127.17 1xf4 h SER 122 Ca -0.47 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1xf4 h SER 122 Cb 1.21 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1xf4 h SER 122 CO 0.66 0.35 0.09 -0.33 -0.87 0.00 0.00 176.83 176.73 1xf4 h GLU 123 N 0.67 0.22 -0.76 4.77 3.07 -1.99 -1.91 114.58 118.65 1xf4 h GLU 123 Ca 0.37 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1xf4 h GLU 123 Cb 0.54 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 1xf4 h GLU 123 CO -0.14 0.20 0.49 0.37 -1.40 0.00 0.00 179.01 178.53 1xf4 h GLN 124 N 0.17 0.94 -0.76 2.33 4.15 -1.60 -2.77 115.11 117.56 1xf4 h GLN 124 Ca 0.06 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1xf4 h GLN 124 Cb 0.05 -0.21 -0.09 0.00 0.21 0.00 0.00 27.48 27.44 1xf4 h GLN 124 CO -0.01 0.62 0.35 -0.07 -1.93 0.00 0.00 178.83 177.79 1xf4 h LEU 125 N 0.97 0.39 -2.09 -2.39 3.38 -0.53 -0.65 115.31 114.40 1xf4 h LEU 125 Ca 0.29 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1xf4 h LEU 125 Cb -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xf4 h LEU 125 CO -0.09 0.18 -0.08 0.71 0.09 0.00 0.00 178.44 179.24 1xf4 h THR 126 N 0.53 0.54 0.00 0.22 1.35 -1.07 -1.10 112.91 113.38 1xf4 h THR 126 Ca 0.40 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1xf4 h THR 126 Cb 0.55 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1xf4 h THR 126 CO -0.35 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 173.46 1xf4 n SER 127 N -3.69 0.00 0.00 5.36 3.41 -0.26 -4.93 113.62 113.51 1xf4 n SER 127 Ca -0.02 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1xf4 n SER 127 Cb 0.19 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1xf4 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xf4 n GLY 128 N 0.97 0.86 3.73 5.00 0.00 -0.42 -5.04 105.19 110.29 1xf4 n GLY 128 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1xf4 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf4 s GLY 129 N -2.01 1.94 -0.17 -0.02 0.00 -1.22 -1.07 107.32 104.78 1xf4 s GLY 129 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 44.72 42.86 1xf4 s GLY 129 CO 0.00 -1.75 0.23 0.00 0.00 0.00 0.00 173.10 171.58 1xf4 s ALA 130 N -2.42 -0.36 -0.23 3.20 0.00 0.66 -3.29 121.76 119.32 1xf4 s ALA 130 Ca 0.38 0.51 -0.06 0.00 0.00 0.00 0.00 51.96 52.78 1xf4 s ALA 130 Cb -0.03 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 1xf4 s ALA 130 CO 0.23 -0.96 0.02 -1.12 0.00 0.00 0.00 175.76 173.93 1xf4 s SER 131 N 2.35 4.81 -0.27 0.00 0.01 -1.26 -0.78 113.70 118.55 1xf4 s SER 131 Ca 0.05 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 1xf4 s SER 131 Cb -0.14 -1.85 -0.02 0.00 0.21 0.00 0.00 66.02 64.22 1xf4 s SER 131 CO -0.10 -0.01 0.52 -0.69 0.41 0.00 0.00 173.24 173.36 1xf4 s VAL 132 N 1.46 5.06 0.02 3.43 1.01 -0.33 -3.42 120.40 127.62 1xf4 s VAL 132 Ca 0.05 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1xf4 s VAL 132 Cb -0.15 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1xf4 s VAL 132 CO 0.01 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.39 1xf4 s VAL 133 N 2.33 3.66 -0.08 2.92 1.01 -0.88 -1.43 120.40 127.94 1xf4 s VAL 133 Ca 0.21 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1xf4 s VAL 133 Cb -0.16 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1xf4 s VAL 133 CO 0.10 0.36 0.17 0.00 0.00 0.00 0.00 175.10 175.72 1xf4 s PHE 135 N 2.06 3.48 -0.41 0.00 0.08 0.12 -0.83 117.98 122.48 1xf4 s PHE 135 Ca 0.00 0.50 0.01 0.00 0.12 0.00 0.00 56.93 57.56 1xf4 s PHE 135 Cb -0.12 -2.19 0.11 0.00 -0.57 0.00 0.00 43.02 40.25 1xf4 s PHE 135 CO -0.06 0.37 0.16 -0.51 -0.10 0.00 0.00 175.22 175.08 1xf4 s LEU 136 N 0.06 4.92 -0.02 -0.37 1.02 -0.23 -0.08 118.68 123.98 1xf4 s LEU 136 Ca 0.13 -2.27 -0.02 0.00 0.02 0.00 0.00 54.13 51.99 1xf4 s LEU 136 Cb -0.12 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 1xf4 s LEU 136 CO 0.02 -0.42 0.14 0.20 0.02 0.00 0.00 176.35 176.31 1xf4 s ASN 137 N 1.06 6.10 -0.77 2.29 0.02 0.10 -1.01 114.94 122.73 1xf4 s ASN 137 Ca 0.11 0.28 -0.01 0.00 -1.02 0.00 0.00 52.86 52.23 1xf4 s ASN 137 Cb -0.21 -1.86 0.00 0.00 0.02 0.00 0.00 41.25 39.20 1xf4 s ASN 137 CO -0.05 0.28 0.65 0.59 0.02 0.00 0.00 177.10 178.59 1xf4 n ASN 138 N 1.16 -6.35 -4.41 -1.22 4.13 -0.96 -1.06 115.26 106.55 1xf4 n ASN 138 Ca -0.13 -0.50 -0.20 0.00 1.68 0.00 0.00 54.58 55.44 1xf4 n ASN 138 Cb 0.53 -3.51 -0.10 0.00 -1.54 0.00 0.00 39.78 35.15 1xf4 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xf4 s PHE 139 N -2.97 1.84 -0.28 3.10 -0.71 0.25 -4.50 117.98 114.70 1xf4 s PHE 139 Ca 0.01 -0.96 -0.17 0.00 -1.04 0.00 0.00 56.93 54.77 1xf4 s PHE 139 Cb -0.00 -1.15 0.10 0.00 -1.21 0.00 0.00 43.02 40.76 1xf4 s PHE 139 CO 0.82 -0.02 0.79 -0.47 -1.34 0.00 0.00 175.22 175.00 1xf4 s TYR 140 N -3.35 -0.87 0.80 3.49 5.04 -0.51 -0.81 117.35 121.13 1xf4 s TYR 140 Ca 0.35 1.80 -0.13 0.00 -2.44 0.00 0.00 57.07 56.64 1xf4 s TYR 140 Cb 0.08 0.51 0.18 0.00 0.35 0.00 0.00 41.96 43.08 1xf4 s TYR 140 CO 0.14 -0.43 1.03 -0.35 -1.34 0.00 0.00 175.55 174.60 1xf4 n PRO 141 N 3.86 -1.22 -0.22 4.97 -0.04 -1.26 0.30 135.00 141.39 1xf4 n PRO 141 Ca -0.19 -1.60 0.08 0.00 -0.04 0.00 0.00 63.50 61.76 1xf4 n PRO 141 Cb 0.58 -1.11 0.36 0.00 -0.04 0.00 0.00 33.50 33.29 1xf4 n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xf4 h LYS 142 N 0.00 0.72 -6.56 0.54 3.64 -1.98 -3.42 116.57 109.52 1xf4 h LYS 142 Ca -0.34 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.47 1xf4 h LYS 142 Cb 0.94 -0.16 0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1xf4 h LYS 142 CO 0.24 0.48 1.09 -0.25 -2.27 0.00 0.00 179.45 178.73 1xf4 n ASP 143 N -4.51 4.06 -3.54 4.20 9.92 -1.26 -4.98 116.55 120.44 1xf4 n ASP 143 Ca 0.13 1.01 -0.15 0.00 -0.53 0.00 0.00 54.79 55.25 1xf4 n ASP 143 Cb 0.32 -1.56 -0.06 0.00 -0.64 0.00 0.00 41.12 39.18 1xf4 n ASP 143 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1xf4 s ILE 144 N 2.29 0.00 -0.03 0.53 2.07 -1.26 -4.74 121.20 120.05 1xf4 s ILE 144 Ca 0.80 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 60.10 1xf4 s ILE 144 Cb -0.48 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.09 1xf4 s ILE 144 CO 0.36 0.00 -0.21 0.20 -1.91 0.00 0.00 174.94 173.38 1xf4 s ASN 145 N -1.06 3.51 -0.05 4.50 0.01 -0.84 -5.00 114.94 116.00 1xf4 s ASN 145 Ca -0.07 -0.35 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 1xf4 s ASN 145 Cb -0.00 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 41.07 1xf4 s ASN 145 CO 0.07 0.33 -0.25 0.54 -1.51 0.00 0.00 177.10 176.28 1xf4 s VAL 146 N -0.67 2.03 -0.07 1.60 0.11 -1.26 -0.72 120.40 121.42 1xf4 s VAL 146 Ca 0.11 -1.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.14 1xf4 s VAL 146 Cb -0.10 -1.71 -0.00 0.00 -1.53 0.00 0.00 36.38 33.03 1xf4 s VAL 146 CO -0.00 0.57 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.37 1xf4 s LYS 147 N -0.22 2.42 -0.11 1.54 2.20 -0.08 -4.97 119.74 120.53 1xf4 s LYS 147 Ca -0.02 -0.76 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 1xf4 s LYS 147 Cb -0.13 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.19 1xf4 s LYS 147 CO 0.03 0.23 0.11 -1.58 -0.36 0.00 0.00 175.35 173.78 1xf4 s TRP 148 N 0.18 3.51 -0.05 4.03 0.52 -1.26 -1.42 118.94 124.45 1xf4 s TRP 148 Ca -0.11 0.45 -0.02 0.00 0.02 0.00 0.00 56.10 56.45 1xf4 s TRP 148 Cb -0.15 -1.90 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1xf4 s TRP 148 CO 0.05 0.68 0.10 0.15 0.02 0.00 0.00 176.95 177.95 1xf4 s LYS 149 N -1.06 0.02 -0.21 4.98 1.02 0.06 -0.62 119.74 123.94 1xf4 s LYS 149 Ca 0.15 0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.45 1xf4 s LYS 149 Cb -0.12 -0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1xf4 s LYS 149 CO 0.05 -0.20 -0.08 0.42 -0.92 0.00 0.00 175.35 174.62 1xf4 s ILE 150 N 1.35 3.06 -0.63 2.17 1.01 -0.83 0.42 121.20 127.75 1xf4 s ILE 150 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1xf4 s ILE 150 Cb -0.12 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1xf4 s ILE 150 CO -0.05 0.46 0.00 0.47 0.00 0.00 0.00 174.94 175.82 1xf4 n ASP 151 N 4.69 -1.94 0.00 3.58 8.00 0.94 -2.11 116.55 129.71 1xf4 n ASP 151 Ca -0.19 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1xf4 n ASP 151 Cb 0.51 -1.94 0.00 0.00 -0.02 0.00 0.00 41.12 39.66 1xf4 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf4 n GLY 152 N -0.29 0.97 3.28 0.44 0.00 -1.26 -4.97 105.19 103.35 1xf4 n GLY 152 Ca -0.07 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1xf4 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xf4 s SER 153 N -2.01 3.66 0.63 1.61 0.01 -0.90 -5.04 113.70 111.67 1xf4 s SER 153 Ca 0.00 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.64 1xf4 s SER 153 Cb 0.00 -1.55 -0.06 0.00 0.21 0.00 0.00 66.02 64.62 1xf4 s SER 153 CO 0.00 0.12 0.62 1.21 0.41 0.00 0.00 173.24 175.60 1xf4 n GLU 154 N 3.85 0.51 -3.67 12.44 2.13 -1.26 -1.95 120.64 132.68 1xf4 n GLU 154 Ca -0.19 0.21 -0.15 0.00 0.66 0.00 0.00 57.16 57.69 1xf4 n GLU 154 Cb 0.52 -1.85 -0.15 0.00 0.27 0.00 0.00 31.44 30.24 1xf4 n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1xf4 s ARG 155 N -2.49 0.08 -0.20 5.31 6.06 0.21 -4.83 118.95 123.09 1xf4 s ARG 155 Ca 0.69 0.61 0.13 0.00 -2.50 0.00 0.00 55.73 54.66 1xf4 s ARG 155 Cb -0.40 -0.18 -0.21 0.00 0.06 0.00 0.00 34.95 34.21 1xf4 s ARG 155 CO 0.54 -0.28 -0.01 1.04 -2.50 0.00 0.00 175.30 174.08 1xf4 n GLN 156 N 5.20 0.82 -2.29 5.12 6.02 -1.26 -4.27 117.38 126.72 1xf4 n GLN 156 Ca -0.08 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 1xf4 n GLN 156 Cb 0.50 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 1xf4 n GLN 156 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1xf4 s ASN 157 N -5.62 6.96 0.00 1.08 3.84 -1.26 -3.44 114.94 116.50 1xf4 s ASN 157 Ca -0.16 2.20 0.00 0.00 0.21 0.00 0.00 52.86 55.11 1xf4 s ASN 157 Cb 0.06 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1xf4 s ASN 157 CO 0.72 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 175.10 1xf4 n GLY 158 N 3.15 0.62 3.42 1.21 0.00 -1.26 -4.77 105.19 107.57 1xf4 n GLY 158 Ca 0.09 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1xf4 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf4 s VAL 159 N -2.00 4.65 -0.13 1.61 1.01 -1.22 -0.40 120.40 123.92 1xf4 s VAL 159 Ca 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1xf4 s VAL 159 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1xf4 s VAL 159 CO 0.00 -0.05 0.00 -0.76 0.00 0.00 0.00 175.10 174.30 1xf4 s LEU 160 N 1.60 3.53 0.02 3.92 1.43 0.46 -4.96 118.68 124.68 1xf4 s LEU 160 Ca 0.04 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1xf4 s LEU 160 Cb -0.18 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1xf4 s LEU 160 CO 0.07 0.26 -0.20 0.20 0.23 0.00 0.00 176.35 176.91 1xf4 s ASN 161 N -0.18 2.37 -0.05 2.29 0.02 -1.26 -0.18 114.94 117.94 1xf4 s ASN 161 Ca 0.05 -0.45 -0.02 0.00 -1.02 0.00 0.00 52.86 51.42 1xf4 s ASN 161 Cb -0.12 -0.22 0.04 0.00 0.02 0.00 0.00 41.25 40.96 1xf4 s ASN 161 CO 0.02 0.19 0.10 -0.55 0.02 0.00 0.00 177.10 176.88 1xf4 s SER 162 N -0.88 0.13 -0.13 -1.22 0.15 -0.68 -5.00 113.70 106.07 1xf4 s SER 162 Ca 0.07 0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1xf4 s SER 162 Cb -0.08 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1xf4 s SER 162 CO 0.01 -0.16 0.01 0.26 1.20 0.00 0.00 173.24 174.56 1xf4 s TRP 163 N 1.32 3.16 0.78 3.44 0.51 -1.26 -0.37 118.94 126.51 1xf4 s TRP 163 Ca -0.07 0.04 -0.11 0.00 -2.12 0.00 0.00 56.10 53.85 1xf4 s TRP 163 Cb -0.12 -1.90 0.06 0.00 -0.81 0.00 0.00 33.47 30.69 1xf4 s TRP 163 CO -0.05 0.27 1.09 0.95 -0.51 0.00 0.00 176.95 178.70 1xf4 s THR 164 N -0.27 3.35 0.97 2.01 -4.23 0.13 -5.00 115.64 112.59 1xf4 s THR 164 Ca 0.06 0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 1xf4 s THR 164 Cb -0.12 -2.96 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1xf4 s THR 164 CO 0.02 -0.57 1.08 -1.81 -0.54 0.00 0.00 174.62 172.80 1xf4 s ASP 165 N -3.46 2.74 0.18 3.99 1.01 -1.26 -4.57 116.67 115.30 1xf4 s ASP 165 Ca 0.61 1.55 -0.33 0.00 0.71 0.00 0.00 52.55 55.09 1xf4 s ASP 165 Cb -0.17 -2.21 -0.15 0.00 1.01 0.00 0.00 42.92 41.40 1xf4 s ASP 165 CO 0.56 -3.11 1.24 1.67 0.21 0.00 0.00 175.17 175.74 1xf4 n GLN 166 N -4.19 1.37 -2.25 8.23 7.27 -1.26 -4.77 117.38 121.77 1xf4 n GLN 166 Ca 0.06 0.49 -0.41 0.00 0.07 0.00 0.00 57.00 57.21 1xf4 n GLN 166 Cb 0.55 -2.04 -0.03 0.00 2.41 0.00 0.00 30.24 31.13 1xf4 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1xf4 s ASP 167 N 0.12 6.94 0.17 1.69 2.15 0.20 -4.93 116.67 123.02 1xf4 s ASP 167 Ca 0.73 2.35 0.26 0.00 0.43 0.00 0.00 52.55 56.33 1xf4 s ASP 167 Cb -0.81 -2.61 0.85 0.00 -0.30 0.00 0.00 42.92 40.04 1xf4 s ASP 167 CO 0.51 -0.50 1.77 -1.54 -0.17 0.00 0.00 175.17 175.24 1xf4 n SER 168 N 2.66 0.69 -0.12 -0.34 3.41 -1.26 -1.19 113.62 117.47 1xf4 n SER 168 Ca 0.06 0.53 -0.24 0.00 -0.26 0.00 0.00 58.87 58.96 1xf4 n SER 168 Cb 0.43 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 1xf4 n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xf4 n LYS 169 N -2.14 0.62 0.00 4.33 5.02 -1.26 -4.76 118.16 119.97 1xf4 n LYS 169 Ca 0.06 0.28 0.01 0.00 -2.02 0.00 0.00 58.31 56.63 1xf4 n LYS 169 Cb 0.42 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1xf4 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xf4 n ASP 170 N -3.92 0.85 0.00 4.39 5.68 -1.26 -5.02 116.55 117.28 1xf4 n ASP 170 Ca -0.47 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1xf4 n ASP 170 Cb 0.90 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 41.13 1xf4 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xf4 n SER 171 N -0.19 -2.99 -4.43 -1.12 7.64 -0.33 -4.98 113.62 107.22 1xf4 n SER 171 Ca 0.01 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.63 1xf4 n SER 171 Cb 0.03 -1.12 0.15 0.00 -1.01 0.00 0.00 64.21 62.26 1xf4 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xf4 s THR 172 N -2.05 2.05 0.28 0.44 -4.23 -1.26 -4.48 115.64 106.38 1xf4 s THR 172 Ca 0.00 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1xf4 s THR 172 Cb 0.00 -2.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 1xf4 s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1xf4 s TYR 173 N -3.46 2.04 -0.00 3.99 2.02 0.01 -0.63 117.35 121.33 1xf4 s TYR 173 Ca 0.70 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.83 1xf4 s TYR 173 Cb -0.04 -1.07 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 1xf4 s TYR 173 CO 0.48 0.43 -0.01 -1.12 -1.57 0.00 0.00 175.55 173.76 1xf4 s SER 174 N -3.46 0.14 0.13 2.29 0.01 -1.26 -0.58 113.70 110.96 1xf4 s SER 174 Ca 0.29 -0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.63 1xf4 s SER 174 Cb 0.01 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1xf4 s SER 174 CO 0.12 -0.00 -0.25 -0.32 0.41 0.00 0.00 173.24 173.20 1xf4 s MET 175 N 0.09 1.32 -0.06 12.44 1.75 -0.18 -0.69 119.30 133.97 1xf4 s MET 175 Ca -0.01 -1.31 0.06 0.00 -1.25 0.00 0.00 55.69 53.19 1xf4 s MET 175 Cb -0.02 -1.73 -0.01 0.00 2.84 0.00 0.00 34.83 35.91 1xf4 s MET 175 CO -0.00 0.40 -0.24 0.45 -0.65 0.00 0.00 175.02 174.98 1xf4 s SER 176 N -2.06 3.15 -0.12 1.11 0.15 0.50 -1.06 113.70 115.36 1xf4 s SER 176 Ca 0.12 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1xf4 s SER 176 Cb -0.10 -0.81 0.02 0.00 -1.71 0.00 0.00 66.02 63.42 1xf4 s SER 176 CO 0.06 0.26 -0.13 -0.55 1.20 0.00 0.00 173.24 174.07 1xf4 s SER 177 N -0.23 2.40 -0.18 5.45 0.15 -0.01 -1.69 113.70 119.59 1xf4 s SER 177 Ca -0.01 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 1xf4 s SER 177 Cb -0.13 -1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 63.14 1xf4 s SER 177 CO 0.03 -0.04 -0.12 -0.89 1.20 0.00 0.00 173.24 173.43 1xf4 s THR 178 N 1.28 2.84 -0.35 6.45 2.01 0.74 -1.83 115.64 126.79 1xf4 s THR 178 Ca -0.01 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 1xf4 s THR 178 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1xf4 s THR 178 CO -0.05 0.49 0.21 -0.22 -0.69 0.00 0.00 174.62 174.35 1xf4 s LEU 179 N 1.13 4.53 -0.21 4.42 2.96 -0.51 -0.41 118.68 130.59 1xf4 s LEU 179 Ca 0.01 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.16 1xf4 s LEU 179 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1xf4 s LEU 179 CO -0.04 -0.29 0.11 -0.89 -1.32 0.00 0.00 176.35 173.92 1xf4 s THR 180 N 1.64 5.08 0.35 3.68 2.01 0.46 -1.19 115.64 127.67 1xf4 s THR 180 Ca 0.04 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1xf4 s THR 180 Cb -0.18 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1xf4 s THR 180 CO 0.08 0.42 0.18 -0.76 -0.69 0.00 0.00 174.62 173.84 1xf4 s LEU 181 N 0.63 1.81 0.59 4.42 1.43 0.04 -4.68 118.68 122.91 1xf4 s LEU 181 Ca 0.06 -1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 51.46 1xf4 s LEU 181 Cb -0.12 0.17 0.02 0.00 0.03 0.00 0.00 46.19 46.28 1xf4 s LEU 181 CO 0.01 -0.94 0.88 0.42 0.23 0.00 0.00 176.35 176.95 1xf4 s THR 182 N -3.42 3.37 0.37 5.49 -4.23 -1.26 -0.25 115.64 115.71 1xf4 s THR 182 Ca 0.32 -0.16 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1xf4 s THR 182 Cb 0.03 -3.34 0.16 0.00 1.34 0.00 0.00 72.50 70.69 1xf4 s THR 182 CO 0.19 -0.33 1.90 0.50 -0.54 0.00 0.00 174.62 176.33 1xf4 h LYS 183 N -0.16 0.35 0.00 3.99 3.64 -1.32 -1.97 116.57 121.10 1xf4 h LYS 183 Ca -0.45 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1xf4 h LYS 183 Cb 1.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1xf4 h LYS 183 CO 0.60 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 177.97 1xf4 n ASP 184 N -4.27 0.00 -0.35 4.20 8.00 -1.26 -0.22 116.55 122.65 1xf4 n ASP 184 Ca 0.00 0.76 0.02 0.00 0.71 0.00 0.00 54.79 56.28 1xf4 n ASP 184 Cb 0.26 -0.41 0.08 0.00 -0.02 0.00 0.00 41.12 41.03 1xf4 n ASP 184 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xf4 n GLU 185 N -1.74 -0.15 0.16 -1.24 1.02 -1.23 -0.16 120.64 117.30 1xf4 n GLU 185 Ca 0.00 1.44 -0.14 0.00 -0.02 0.00 0.00 57.16 58.44 1xf4 n GLU 185 Cb 0.00 -2.14 -0.07 0.00 -0.02 0.00 0.00 31.44 29.22 1xf4 n GLU 185 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1xf4 h TYR 186 N 0.00 -0.82 0.00 -0.32 3.20 -1.43 -2.30 116.97 115.30 1xf4 h TYR 186 Ca 0.38 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1xf4 h TYR 186 Cb 0.61 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.21 1xf4 h TYR 186 CO -0.77 -0.42 0.05 0.93 -1.64 0.00 0.00 178.16 176.31 1xf4 h GLU 187 N -0.59 0.00 -0.01 1.82 4.39 0.27 -1.79 114.58 118.67 1xf4 h GLU 187 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1xf4 h GLU 187 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1xf4 h GLU 187 CO -0.11 0.00 -0.05 -2.13 -1.16 0.00 0.00 179.01 175.56 1xf4 n ARG 188 N -2.45 1.25 -4.36 2.33 0.63 -0.21 -4.91 116.66 108.95 1xf4 n ARG 188 Ca -0.02 -0.56 -0.19 0.00 -0.92 0.00 0.00 57.85 56.16 1xf4 n ARG 188 Cb 0.09 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.42 1xf4 n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1xf4 s HIS 189 N -2.14 1.64 0.11 -0.14 3.76 -0.67 -5.08 115.29 112.76 1xf4 s HIS 189 Ca 0.37 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1xf4 s HIS 189 Cb 0.21 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1xf4 s HIS 189 CO 0.39 -0.47 0.00 -1.71 -0.85 0.00 0.00 174.74 172.10 1xf4 n ASN 190 N -0.94 0.61 -4.68 1.40 5.15 -1.26 -4.83 115.26 110.71 1xf4 n ASN 190 Ca 0.00 0.17 -0.43 0.00 -0.60 0.00 0.00 54.58 53.72 1xf4 n ASN 190 Cb 0.65 -0.12 -0.02 0.00 -0.53 0.00 0.00 39.78 39.75 1xf4 n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1xf4 s SER 191 N -5.57 7.10 -0.16 1.20 0.15 -1.26 -2.11 113.70 113.05 1xf4 s SER 191 Ca 0.00 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1xf4 s SER 191 Cb 0.00 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1xf4 s SER 191 CO 0.00 -0.58 -0.13 -0.31 1.20 0.00 0.00 173.24 173.42 1xf4 s TYR 192 N 2.42 2.20 -0.08 3.44 2.02 -1.03 -0.04 117.35 126.27 1xf4 s TYR 192 Ca 0.52 -1.27 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 1xf4 s TYR 192 Cb -0.21 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1xf4 s TYR 192 CO 0.18 -0.68 -0.13 0.99 -1.57 0.00 0.00 175.55 174.35 1xf4 s THR 193 N 1.48 1.22 -0.20 -0.71 2.01 0.17 -2.13 115.64 117.48 1xf4 s THR 193 Ca 0.04 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 1xf4 s THR 193 Cb -0.13 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 1xf4 s THR 193 CO -0.10 0.38 -0.06 0.00 -0.69 0.00 0.00 174.62 174.14 1xf4 s GLU 195 N 1.22 3.08 -0.22 0.00 2.02 -0.51 0.03 118.70 124.32 1xf4 s GLU 195 Ca 0.03 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 1xf4 s GLU 195 Cb -0.14 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1xf4 s GLU 195 CO -0.02 -0.00 -0.06 0.00 0.02 0.00 0.00 175.26 175.19 1xf4 s ALA 196 N 0.81 2.73 -0.23 5.21 0.00 0.07 -0.91 121.76 129.44 1xf4 s ALA 196 Ca -0.07 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1xf4 s ALA 196 Cb -0.15 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1xf4 s ALA 196 CO -0.01 -0.53 0.11 0.99 0.00 0.00 0.00 175.76 176.33 1xf4 s THR 197 N 1.42 4.95 -0.14 0.00 2.01 0.10 -0.68 115.64 123.30 1xf4 s THR 197 Ca 0.04 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 1xf4 s THR 197 Cb -0.15 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.11 1xf4 s THR 197 CO -0.05 0.37 0.38 -2.28 -0.69 0.00 0.00 174.62 172.35 1xf4 s HIS 198 N 1.07 -0.41 0.39 4.92 2.46 -1.26 -1.98 115.29 120.47 1xf4 s HIS 198 Ca 0.06 1.01 0.18 0.00 0.47 0.00 0.00 55.06 56.78 1xf4 s HIS 198 Cb -0.14 0.14 0.98 0.00 -0.13 0.00 0.00 32.58 33.44 1xf4 s HIS 198 CO 0.04 -0.20 1.50 1.57 -2.47 0.00 0.00 174.74 175.18 1xf4 h LYS 199 N 5.56 0.00 0.00 2.88 2.10 -1.94 0.10 116.57 125.27 1xf4 h LYS 199 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1xf4 h LYS 199 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1xf4 h LYS 199 CO 0.27 0.00 0.00 1.79 -2.00 0.00 0.00 179.45 179.51 1xf4 h THR 200 N 0.00 0.00 -4.09 0.07 1.35 -1.91 -3.45 112.91 104.88 1xf4 h THR 200 Ca 0.00 -0.47 -0.14 0.00 -0.55 0.00 0.00 66.41 65.25 1xf4 h THR 200 Cb 0.84 1.43 -0.13 0.00 -1.73 0.00 0.00 68.15 68.56 1xf4 h THR 200 CO 0.00 0.00 -0.42 -0.94 -0.25 0.00 0.00 175.52 173.91 1xf4 s SER 201 N -5.48 0.11 -0.07 5.36 1.04 0.35 -4.96 113.70 110.04 1xf4 s SER 201 Ca 0.02 -1.03 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 1xf4 s SER 201 Cb 0.09 0.41 -0.26 0.00 0.10 0.00 0.00 66.02 66.36 1xf4 s SER 201 CO 0.52 -0.87 0.56 0.71 0.98 0.00 0.00 173.24 175.14 1xf4 h THR 202 N 2.61 0.81 -3.35 2.02 1.35 -1.88 -3.41 112.91 111.05 1xf4 h THR 202 Ca -0.33 -2.54 -0.57 0.00 -0.55 0.00 0.00 66.41 62.43 1xf4 h THR 202 Cb 1.23 2.55 -0.06 0.00 -1.73 0.00 0.00 68.15 70.14 1xf4 h THR 202 CO 0.50 0.78 0.02 -0.44 -0.25 0.00 0.00 175.52 176.12 1xf4 s SER 203 N -6.80 6.87 0.38 5.36 0.01 -1.26 -5.00 113.70 113.26 1xf4 s SER 203 Ca -0.15 1.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.88 1xf4 s SER 203 Cb 0.07 -2.37 -0.11 0.00 0.21 0.00 0.00 66.02 63.82 1xf4 s SER 203 CO 0.81 -0.09 1.41 -2.65 0.41 0.00 0.00 173.24 173.13 1xf4 n PRO 204 N 3.82 2.42 -2.32 12.44 -0.02 -1.26 -4.89 135.00 145.18 1xf4 n PRO 204 Ca -0.03 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1xf4 n PRO 204 Cb 0.51 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1xf4 n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xf4 s ILE 205 N -1.13 3.88 -0.19 4.25 1.01 0.14 -4.77 121.20 124.40 1xf4 s ILE 205 Ca 0.55 0.91 -0.17 0.00 0.00 0.00 0.00 60.65 61.94 1xf4 s ILE 205 Cb -0.50 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1xf4 s ILE 205 CO 0.62 -0.71 0.43 0.54 0.00 0.00 0.00 174.94 175.82 1xf4 s VAL 206 N 5.47 5.18 -0.04 2.92 0.11 -1.26 -0.75 120.40 132.03 1xf4 s VAL 206 Ca 0.62 0.77 0.06 0.00 -2.93 0.00 0.00 61.98 60.51 1xf4 s VAL 206 Cb -0.15 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1xf4 s VAL 206 CO 0.32 0.25 -0.23 -0.75 -3.33 0.00 0.00 175.10 171.36 1xf4 s LYS 207 N 1.29 2.36 0.14 1.54 2.47 0.10 -4.98 119.74 122.65 1xf4 s LYS 207 Ca 0.21 -0.86 -0.14 0.00 -1.56 0.00 0.00 55.97 53.62 1xf4 s LYS 207 Cb -0.15 -2.17 0.02 0.00 -1.46 0.00 0.00 37.83 34.07 1xf4 s LYS 207 CO 0.08 0.52 0.36 0.45 0.16 0.00 0.00 175.35 176.92 1xf4 s SER 208 N -0.49 -0.12 0.03 1.43 0.15 -1.26 0.07 113.70 113.51 1xf4 s SER 208 Ca 0.06 -0.51 -0.20 0.00 0.70 0.00 0.00 55.95 56.00 1xf4 s SER 208 Cb -0.11 0.46 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1xf4 s SER 208 CO 0.01 -0.87 0.46 0.72 1.20 0.00 0.00 173.24 174.76 1xf4 s PHE 209 N -3.86 -0.35 -0.28 3.44 -0.12 -0.90 -5.03 117.98 110.88 1xf4 s PHE 209 Ca 0.07 0.39 -0.07 0.00 -0.05 0.00 0.00 56.93 57.27 1xf4 s PHE 209 Cb 0.02 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.67 1xf4 s PHE 209 CO -0.08 -0.58 0.08 -0.80 -0.05 0.00 0.00 175.22 173.78 1xf4 s ASN 210 N -1.86 5.12 0.43 1.98 0.01 -1.26 -2.46 114.94 116.91 1xf4 s ASN 210 Ca -0.07 -0.50 0.36 0.00 -0.71 0.00 0.00 52.86 51.95 1xf4 s ASN 210 Cb -0.01 -1.90 1.41 0.00 0.41 0.00 0.00 41.25 41.16 1xf4 s ASN 210 CO -0.00 -0.13 1.37 -1.14 -1.51 0.00 0.00 177.10 175.69 1xf4 n ARG 211 N 4.90 -0.02 -0.30 -0.60 0.63 -0.90 -0.83 116.66 119.55 1xf4 n ARG 211 Ca -0.15 1.03 0.08 0.00 -0.92 0.00 0.00 57.85 57.88 1xf4 n ARG 211 Cb 0.49 -2.18 0.23 0.00 0.45 0.00 0.00 32.46 31.45 1xf4 n ARG 211 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1xf4 n ASN 212 N -4.09 2.89 -0.22 6.15 2.04 -1.26 -5.14 115.26 115.64 1xf4 n ASN 212 Ca 0.37 -2.08 0.03 0.00 -0.44 0.00 0.00 54.58 52.46 1xf4 n ASN 212 Cb 1.57 -0.37 0.02 0.00 -2.53 0.00 0.00 39.78 38.47 1xf4 n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20