#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 3.90 -0.07 -4.62 2.96 -1.26 -5.03 118.68 114.56 1xf4 s LEU 2 Ca 0.00 2.61 -0.03 0.00 -0.22 0.00 0.00 54.13 56.49 1xf4 s LEU 2 Cb 0.00 -4.27 0.04 0.00 0.50 0.00 0.00 46.19 42.46 1xf4 s LEU 2 CO 0.00 -1.36 0.12 0.00 -1.32 0.00 0.00 176.35 173.79 1xf4 s GLN 3 N -2.85 0.01 -0.18 1.98 1.03 -1.26 -5.02 119.66 113.37 1xf4 s GLN 3 Ca 0.69 0.45 -0.07 0.00 0.04 0.00 0.00 55.36 56.48 1xf4 s GLN 3 Cb -0.36 -0.31 -0.04 0.00 0.03 0.00 0.00 33.01 32.33 1xf4 s GLN 3 CO 0.43 -0.27 0.04 -1.64 -2.54 0.00 0.00 175.29 171.31 1xf4 s MET 4 N 1.95 3.87 -0.19 9.60 1.00 -1.26 -0.83 119.30 133.43 1xf4 s MET 4 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 55.69 55.27 1xf4 s MET 4 Cb -0.12 -3.16 -0.01 0.00 0.00 0.00 0.00 34.83 31.54 1xf4 s MET 4 CO -0.05 0.21 -0.08 0.99 0.00 0.00 0.00 175.02 176.09 1xf4 s THR 5 N 0.52 3.14 -0.08 2.05 2.01 -0.56 -4.63 115.64 118.09 1xf4 s THR 5 Ca 0.02 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1xf4 s THR 5 Cb -0.13 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1xf4 s THR 5 CO 0.01 0.46 0.05 -1.58 -0.69 0.00 0.00 174.62 172.88 1xf4 s GLN 6 N 1.16 3.10 0.03 4.92 0.74 -1.26 0.47 119.66 128.82 1xf4 s GLN 6 Ca 0.02 -0.36 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 1xf4 s GLN 6 Cb -0.14 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1xf4 s GLN 6 CO -0.02 0.71 -0.03 -1.12 -0.55 0.00 0.00 175.29 174.28 1xf4 s SER 7 N -1.09 0.31 0.86 6.67 0.01 0.01 -4.56 113.70 115.91 1xf4 s SER 7 Ca 0.16 -0.60 -0.13 0.00 1.31 0.00 0.00 55.95 56.69 1xf4 s SER 7 Cb -0.12 0.12 0.14 0.00 0.21 0.00 0.00 66.02 66.37 1xf4 s SER 7 CO 0.05 -0.36 1.22 -2.16 0.41 0.00 0.00 173.24 172.40 1xf4 s PRO 8 N -1.95 1.34 0.04 12.44 0.04 -1.26 -0.90 135.00 144.75 1xf4 s PRO 8 Ca -0.11 -0.25 -0.26 0.00 0.04 0.00 0.00 61.00 60.41 1xf4 s PRO 8 Cb -0.06 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 1xf4 s PRO 8 CO -0.03 -1.94 1.48 0.00 0.04 0.00 0.00 177.00 176.55 1xf4 h ALA 9 N -1.25 -0.33 -2.63 8.56 0.00 -1.80 -3.40 119.26 118.40 1xf4 h ALA 9 Ca -0.44 -0.14 -0.35 0.00 0.00 0.00 0.00 54.91 53.98 1xf4 h ALA 9 Cb 1.28 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1xf4 h ALA 9 CO 0.51 -0.60 -0.73 -1.54 0.00 0.00 0.00 179.25 176.88 1xf4 s SER 10 N -5.05 1.72 -0.02 0.00 1.04 -1.26 -0.77 113.70 109.36 1xf4 s SER 10 Ca -0.15 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.29 1xf4 s SER 10 Cb 0.04 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1xf4 s SER 10 CO 0.61 -0.25 0.27 -0.22 0.98 0.00 0.00 173.24 174.64 1xf4 s LEU 11 N -2.66 1.01 0.06 2.42 2.96 -0.04 -4.92 118.68 117.51 1xf4 s LEU 11 Ca 0.10 0.07 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 1xf4 s LEU 11 Cb -0.02 1.11 -0.03 0.00 0.50 0.00 0.00 46.19 47.75 1xf4 s LEU 11 CO 0.01 -0.39 -0.26 -0.44 -1.32 0.00 0.00 176.35 173.95 1xf4 s SER 12 N -1.18 3.09 0.26 3.68 0.01 -1.26 -0.20 113.70 118.09 1xf4 s SER 12 Ca -0.12 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 1xf4 s SER 12 Cb -0.05 -0.26 0.03 0.00 0.21 0.00 0.00 66.02 65.94 1xf4 s SER 12 CO 0.03 0.23 0.69 0.00 0.41 0.00 0.00 173.24 174.60 1xf4 s ALA 13 N -0.85 -1.24 0.23 1.44 0.00 -0.47 -4.95 121.76 115.92 1xf4 s ALA 13 Ca 0.11 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.94 1xf4 s ALA 13 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1xf4 s ALA 13 CO 0.03 -0.98 0.16 -1.12 0.00 0.00 0.00 175.76 173.85 1xf4 s SER 14 N -2.89 5.42 0.64 0.00 0.01 -1.26 -0.56 113.70 115.05 1xf4 s SER 14 Ca 0.10 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 1xf4 s SER 14 Cb -0.05 -1.35 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 1xf4 s SER 14 CO 0.04 -0.01 1.25 -0.69 0.41 0.00 0.00 173.24 174.23 1xf4 s VAL 15 N -2.06 2.30 0.00 3.43 1.01 -1.26 -2.17 120.40 121.65 1xf4 s VAL 15 Ca 0.32 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1xf4 s VAL 15 Cb -0.08 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1xf4 s VAL 15 CO 0.24 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1xf4 n GLY 16 N 0.66 2.79 3.88 4.51 0.00 0.70 -4.88 105.19 112.85 1xf4 n GLY 16 Ca 0.15 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 -0.23 3.78 -0.19 1.61 2.12 -0.92 -4.21 118.70 120.66 1xf4 s GLU 17 Ca 0.00 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.49 1xf4 s GLU 17 Cb 0.00 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 1xf4 s GLU 17 CO 0.00 0.30 0.06 0.99 -0.54 0.00 0.00 175.26 176.07 1xf4 s THR 18 N -1.85 4.68 0.23 -1.70 2.01 -1.26 -0.71 115.64 117.04 1xf4 s THR 18 Ca 0.47 -0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.49 1xf4 s THR 18 Cb -0.11 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1xf4 s THR 18 CO 0.22 0.45 -0.16 0.68 -0.69 0.00 0.00 174.62 175.13 1xf4 s VAL 19 N 0.49 1.96 -0.06 3.82 -7.23 -0.95 -4.99 120.40 113.44 1xf4 s VAL 19 Ca 0.03 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 57.95 1xf4 s VAL 19 Cb -0.13 -2.15 0.02 0.00 0.56 0.00 0.00 36.38 34.68 1xf4 s VAL 19 CO 0.01 -0.52 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.30 1xf4 s THR 20 N -2.83 0.95 -0.08 5.32 2.01 -1.26 -1.63 115.64 118.12 1xf4 s THR 20 Ca 0.25 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1xf4 s THR 20 Cb -0.02 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1xf4 s THR 20 CO 0.10 0.32 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.61 1xf4 s ILE 21 N 0.82 3.33 0.23 1.82 1.01 0.83 -4.79 121.20 124.44 1xf4 s ILE 21 Ca -0.12 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.02 1xf4 s ILE 21 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1xf4 s ILE 21 CO 0.02 0.57 -0.07 0.42 0.00 0.00 0.00 174.94 175.88 1xf4 s THR 22 N -0.44 3.21 -0.10 2.92 -4.23 -0.08 0.46 115.64 117.38 1xf4 s THR 22 Ca 0.06 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1xf4 s THR 22 Cb -0.12 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1xf4 s THR 22 CO 0.02 -0.26 0.21 0.00 -0.54 0.00 0.00 174.62 174.05 1xf4 s ARG 24 N 1.95 3.45 -0.02 0.00 1.70 0.18 -1.93 118.95 124.29 1xf4 s ARG 24 Ca -0.02 -0.61 -0.15 0.00 -0.47 0.00 0.00 55.73 54.47 1xf4 s ARG 24 Cb -0.12 -2.89 -0.06 0.00 -0.57 0.00 0.00 34.95 31.32 1xf4 s ARG 24 CO -0.07 0.02 0.43 0.00 -1.08 0.00 0.00 175.30 174.59 1xf4 s ALA 25 N 0.90 3.66 -2.09 7.88 0.00 -0.92 -1.50 121.76 129.69 1xf4 s ALA 25 Ca -0.01 -0.20 0.30 0.00 0.00 0.00 0.00 51.96 52.05 1xf4 s ALA 25 Cb -0.15 -2.44 1.71 0.00 0.00 0.00 0.00 23.12 22.24 1xf4 s ALA 25 CO 0.01 0.40 2.11 -1.13 0.00 0.00 0.00 175.76 177.14 1xf4 n SER 26 N 2.12 0.27 -3.47 0.00 3.41 -0.01 -4.70 113.62 111.24 1xf4 n SER 26 Ca -0.13 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 1xf4 n SER 26 Cb 0.52 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1xf4 n SER 26 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xf4 s GLU 27 N -2.00 1.21 -0.12 4.33 -6.30 -1.26 -4.93 118.70 109.63 1xf4 s GLU 27 Ca 0.45 -0.47 -0.30 0.00 -2.50 0.00 0.00 54.97 52.15 1xf4 s GLU 27 Cb 0.21 0.54 -0.08 0.00 0.00 0.00 0.00 34.13 34.80 1xf4 s GLU 27 CO 0.35 -0.53 2.09 -1.71 0.02 0.00 0.00 175.26 175.48 1xf4 n ASN 28 N -0.36 3.52 -1.00 -1.70 5.15 -1.26 -4.69 115.26 114.93 1xf4 n ASN 28 Ca -0.14 0.56 0.02 0.00 -0.60 0.00 0.00 54.58 54.42 1xf4 n ASN 28 Cb 0.64 -1.50 0.22 0.00 -0.53 0.00 0.00 39.78 38.61 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 6.60 2.41 0.00 -1.44 -5.35 0.15 -5.02 119.36 116.71 1xf4 n ILE 29 Ca 0.26 -2.34 0.00 0.00 -0.27 0.00 0.00 62.75 60.41 1xf4 n ILE 29 Cb 0.40 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 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 -0.89 0.00 -0.32 4.28 4.02 -1.26 -0.76 117.16 122.23 1xf4 n TYR 30 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1xf4 n TYR 30 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 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 3.73 1.36 -4.00 7.72 3.41 -1.26 0.45 113.62 125.03 1xf4 n SER 31 Ca 0.00 -1.68 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 1xf4 n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.34 3.79 -4.08 7.33 4.01 0.06 -2.56 117.16 125.37 1xf4 n TYR 32 Ca 0.00 -2.94 -0.15 0.00 -0.16 0.00 0.00 57.90 54.65 1xf4 n TYR 32 Cb 0.33 -2.44 -0.14 0.00 -0.31 0.00 0.00 39.34 36.78 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 2.19 2.02 0.13 7.72 2.96 -1.26 -2.05 118.68 130.38 1xf4 s LEU 33 Ca 0.47 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 1xf4 s LEU 33 Cb 0.10 -0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 1xf4 s LEU 33 CO -0.03 0.03 -0.21 0.00 -1.32 0.00 0.00 176.35 174.83 1xf4 s ALA 34 N -0.15 1.95 -0.09 5.97 0.00 0.18 -0.17 121.76 129.45 1xf4 s ALA 34 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1xf4 s ALA 34 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1xf4 s ALA 34 CO -0.00 0.35 -0.09 -1.58 0.00 0.00 0.00 175.76 174.44 1xf4 s TRP 35 N -1.41 2.88 0.10 0.00 0.52 0.19 -0.98 118.94 120.25 1xf4 s TRP 35 Ca 0.10 -0.19 0.10 0.00 0.02 0.00 0.00 56.10 56.14 1xf4 s TRP 35 Cb -0.09 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.43 1xf4 s TRP 35 CO 0.05 0.14 -0.26 0.71 0.02 0.00 0.00 176.95 177.61 1xf4 s TYR 36 N -0.39 2.33 -0.07 -1.98 1.51 0.33 -0.58 117.35 118.50 1xf4 s TYR 36 Ca 0.05 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 1xf4 s TYR 36 Cb -0.12 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1xf4 s TYR 36 CO 0.02 0.28 -0.12 -1.14 -1.11 0.00 0.00 175.55 173.48 1xf4 s GLN 37 N -1.81 2.69 -0.06 -0.62 0.74 -0.52 -1.61 119.66 118.48 1xf4 s GLN 37 Ca 0.13 -0.65 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 1xf4 s GLN 37 Cb -0.10 -2.47 0.03 0.00 1.10 0.00 0.00 33.01 31.57 1xf4 s GLN 37 CO 0.05 0.58 0.03 -1.14 -0.55 0.00 0.00 175.29 174.25 1xf4 s GLN 38 N -0.60 0.30 0.17 1.67 0.74 0.19 -0.12 119.66 122.03 1xf4 s GLN 38 Ca 0.09 0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.70 1xf4 s GLN 38 Cb -0.11 -0.74 -0.04 0.00 1.10 0.00 0.00 33.01 33.21 1xf4 s GLN 38 CO 0.01 -0.30 0.36 0.15 -0.55 0.00 0.00 175.29 174.97 1xf4 s LYS 39 N 1.97 3.52 0.12 1.67 -0.14 -1.26 -1.26 119.74 124.36 1xf4 s LYS 39 Ca 0.04 -0.33 -0.34 0.00 -1.36 0.00 0.00 55.97 53.98 1xf4 s LYS 39 Cb -0.12 -2.87 -0.14 0.00 -1.68 0.00 0.00 37.83 33.02 1xf4 s LYS 39 CO -0.04 0.44 1.57 0.94 -0.76 0.00 0.00 175.35 177.50 1xf4 n GLN 40 N -0.44 1.96 -0.56 1.68 -0.06 -1.26 -0.90 117.38 117.80 1xf4 n GLN 40 Ca -0.04 0.71 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 1xf4 n GLN 40 Cb 0.53 -2.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.25 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 3.37 1.40 3.60 1.69 0.00 -1.26 -5.00 105.19 108.99 1xf4 n GLY 41 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.18 2.17 0.44 1.61 1.02 -0.08 -5.11 119.74 119.62 1xf4 s LYS 42 Ca 0.00 -1.21 -0.26 0.00 0.02 0.00 0.00 55.97 54.53 1xf4 s LYS 42 Cb 0.00 -2.23 -0.08 0.00 -0.52 0.00 0.00 37.83 35.00 1xf4 s LYS 42 CO 0.00 0.44 1.42 -1.12 -0.92 0.00 0.00 175.35 175.17 1xf4 s SER 43 N -2.84 5.95 0.64 2.83 0.01 -1.26 -4.51 113.70 114.51 1xf4 s SER 43 Ca 0.26 2.90 -0.18 0.00 1.31 0.00 0.00 55.95 60.23 1xf4 s SER 43 Cb -0.09 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1xf4 s SER 43 CO 0.16 -1.12 1.26 -2.84 0.41 0.00 0.00 173.24 171.10 1xf4 s PRO 44 N -2.41 2.65 -0.04 12.44 0.02 -1.26 -4.71 135.00 141.69 1xf4 s PRO 44 Ca 0.60 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.62 1xf4 s PRO 44 Cb -0.43 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.21 1xf4 s PRO 44 CO 0.56 -1.49 -0.18 -1.14 -0.33 0.00 0.00 177.00 174.41 1xf4 s GLN 45 N -3.42 1.83 0.12 5.54 2.00 0.83 -4.97 119.66 121.59 1xf4 s GLN 45 Ca 0.80 -0.65 -0.31 0.00 -2.00 0.00 0.00 55.36 53.20 1xf4 s GLN 45 Cb -0.34 -1.61 -0.09 0.00 0.80 0.00 0.00 33.01 31.77 1xf4 s GLN 45 CO 0.38 0.28 1.61 -1.17 -0.50 0.00 0.00 175.29 175.89 1xf4 s LEU 46 N -0.04 4.37 -0.10 3.68 2.96 -1.26 -1.44 118.68 126.86 1xf4 s LEU 46 Ca -0.03 2.55 -0.07 0.00 -0.22 0.00 0.00 54.13 56.36 1xf4 s LEU 46 Cb -0.11 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1xf4 s LEU 46 CO 0.02 -0.86 -0.17 0.18 -1.32 0.00 0.00 176.35 174.20 1xf4 n LEU 47 N 4.81 1.16 -3.99 -0.68 4.77 0.25 -4.73 117.00 118.58 1xf4 n LEU 47 Ca 0.15 0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 56.10 1xf4 n LEU 47 Cb 0.40 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.88 1xf4 n LEU 47 CO 0.62 -0.03 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.52 1xf4 s VAL 48 N -2.32 0.85 0.29 4.08 1.01 -0.92 -0.22 120.40 123.18 1xf4 s VAL 48 Ca -0.17 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1xf4 s VAL 48 Cb 0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 1xf4 s VAL 48 CO 0.22 0.28 -0.03 -0.72 0.00 0.00 0.00 175.10 174.86 1xf4 s TYR 49 N 0.49 1.96 -1.41 5.22 -0.85 -0.50 0.55 117.35 122.80 1xf4 s TYR 49 Ca -0.09 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.70 1xf4 s TYR 49 Cb -0.12 -1.17 0.00 0.00 0.38 0.00 0.00 41.96 41.05 1xf4 s TYR 49 CO 0.01 0.21 0.00 -1.71 -1.52 0.00 0.00 175.55 172.55 1xf4 n ASN 50 N -0.61 -4.54 0.00 -0.18 4.05 -1.15 -1.89 115.26 110.94 1xf4 n ASN 50 Ca -0.05 0.18 0.00 0.00 0.45 0.00 0.00 54.58 55.16 1xf4 n ASN 50 Cb 0.64 -3.89 0.00 0.00 1.23 0.00 0.00 39.78 37.76 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 -1.43 0.00 -0.63 5.20 0.00 0.76 -4.44 120.51 119.97 1xf4 n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xf4 n ALA 51 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.96 0.00 2.85 -1.21 -3.20 118.16 113.63 1xf4 n LYS 52 Ca 0.00 -0.12 -0.41 0.00 -1.05 0.00 0.00 58.31 56.73 1xf4 n LYS 52 Cb 0.00 -0.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.76 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 -0.03 4.94 0.39 0.58 2.01 -0.79 -4.51 115.64 118.22 1xf4 s THR 53 Ca 0.00 1.50 -0.26 0.00 0.31 0.00 0.00 61.69 63.24 1xf4 s THR 53 Cb 0.00 -4.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 1xf4 s THR 53 CO 0.00 0.08 1.20 -0.76 -0.69 0.00 0.00 174.62 174.45 1xf4 s LEU 54 N 1.90 4.24 1.05 4.42 1.43 -1.26 -1.41 118.68 129.04 1xf4 s LEU 54 Ca 0.36 2.43 -0.17 0.00 -1.03 0.00 0.00 54.13 55.72 1xf4 s LEU 54 Cb -0.17 -3.94 0.22 0.00 0.03 0.00 0.00 46.19 42.34 1xf4 s LEU 54 CO 0.13 -0.66 1.21 0.00 0.23 0.00 0.00 176.35 177.25 1xf4 s ALA 55 N -1.34 1.52 0.11 4.21 0.00 0.70 -4.87 121.76 122.09 1xf4 s ALA 55 Ca 0.55 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1xf4 s ALA 55 Cb -0.33 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.87 1xf4 s ALA 55 CO 0.42 -2.86 1.09 -1.21 0.00 0.00 0.00 175.76 173.20 1xf4 s GLU 56 N -5.60 4.55 0.00 0.00 2.02 -1.26 -3.05 118.70 115.37 1xf4 s GLU 56 Ca 0.71 1.65 0.00 0.00 0.02 0.00 0.00 54.97 57.35 1xf4 s GLU 56 Cb -0.08 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.81 1xf4 s GLU 56 CO 0.54 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.21 1xf4 n GLY 57 N 2.54 3.24 3.67 -1.39 0.00 -1.26 -5.01 105.19 106.99 1xf4 n GLY 57 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.27 2.97 0.56 1.61 1.01 -1.17 -4.90 120.40 118.22 1xf4 s VAL 58 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.01 1xf4 s VAL 58 Cb 0.00 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.16 1xf4 s VAL 58 CO 0.00 -0.01 0.55 -2.65 0.00 0.00 0.00 175.10 172.99 1xf4 n PRO 59 N 6.65 0.54 0.27 2.72 -0.02 -1.26 -4.87 135.00 139.03 1xf4 n PRO 59 Ca 0.18 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1xf4 n PRO 59 Cb 0.40 -1.72 0.77 0.00 -0.02 0.00 0.00 33.50 32.94 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 0.29 0.00 0.64 2.55 4.64 -2.01 -3.08 113.55 116.58 1xf4 h SER 60 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1xf4 h SER 60 Cb 1.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1xf4 h SER 60 CO 0.47 0.09 -0.07 0.08 -0.87 0.00 0.00 176.83 176.54 1xf4 h ARG 61 N 0.00 0.00 -6.95 4.77 0.11 -1.89 -3.42 114.38 107.00 1xf4 h ARG 61 Ca -0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.60 1xf4 h ARG 61 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1xf4 h ARG 61 CO 0.01 0.07 0.39 -0.06 0.10 0.00 0.00 179.97 180.48 1xf4 s PHE 62 N -3.90 3.40 -0.26 4.08 0.08 -1.17 -0.43 117.98 119.79 1xf4 s PHE 62 Ca -0.01 1.68 -0.10 0.00 0.12 0.00 0.00 56.93 58.62 1xf4 s PHE 62 Cb 0.11 -3.05 0.11 0.00 -0.57 0.00 0.00 43.02 39.62 1xf4 s PHE 62 CO 0.54 -0.34 0.57 0.45 -0.10 0.00 0.00 175.22 176.35 1xf4 s SER 63 N -1.62 -0.83 0.22 1.36 0.15 0.37 -4.98 113.70 108.38 1xf4 s SER 63 Ca 0.56 1.36 0.05 0.00 0.70 0.00 0.00 55.95 58.62 1xf4 s SER 63 Cb -0.20 1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.94 1xf4 s SER 63 CO 0.25 -0.22 0.33 -0.83 1.20 0.00 0.00 173.24 173.97 1xf4 s GLY 64 N 2.63 1.32 -0.07 9.45 0.00 -1.26 0.43 107.32 119.82 1xf4 s GLY 64 Ca -0.05 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 1xf4 s GLY 64 CO -0.17 -1.23 0.92 -1.35 0.00 0.00 0.00 173.10 171.27 1xf4 s SER 65 N -3.83 -0.38 0.00 1.64 1.04 -0.99 -4.54 113.70 106.64 1xf4 s SER 65 Ca 0.34 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1xf4 s SER 65 Cb -0.09 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1xf4 s SER 65 CO 0.29 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1xf4 n GLY 66 N 0.18 1.86 3.63 7.32 0.00 -1.26 -1.33 105.19 115.60 1xf4 n GLY 66 Ca -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.17 0.00 1.61 0.01 -0.89 -4.91 113.70 109.34 1xf4 s SER 67 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1xf4 s SER 67 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1xf4 s SER 67 CO 0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1xf4 n GLY 68 N 1.30 1.92 0.00 3.44 0.00 0.17 -2.76 105.19 109.26 1xf4 n GLY 68 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.78 2.61 -2.24 -1.26 -0.67 114.28 108.93 1xf4 n THR 69 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1xf4 n THR 69 Cb 0.00 0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.00 2.68 0.10 -0.78 -1.52 -1.11 -2.17 119.66 116.86 1xf4 s GLN 70 Ca 0.00 -1.13 0.08 0.00 -1.95 0.00 0.00 55.36 52.36 1xf4 s GLN 70 Cb 0.00 -3.38 -0.03 0.00 -0.22 0.00 0.00 33.01 29.37 1xf4 s GLN 70 CO 0.00 -0.61 -0.20 -0.06 -0.25 0.00 0.00 175.29 174.18 1xf4 s PHE 71 N 1.39 1.68 0.13 0.91 0.40 -0.81 -2.11 117.98 119.58 1xf4 s PHE 71 Ca -0.01 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1xf4 s PHE 71 Cb -0.19 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.39 1xf4 s PHE 71 CO 0.02 0.18 0.12 -1.54 0.70 0.00 0.00 175.22 174.70 1xf4 s SER 72 N -1.91 0.24 -0.15 1.36 1.04 -0.44 -1.95 113.70 111.88 1xf4 s SER 72 Ca 0.05 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1xf4 s SER 72 Cb -0.10 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.38 1xf4 s SER 72 CO 0.04 -0.77 -0.16 -0.22 0.98 0.00 0.00 173.24 173.12 1xf4 s LEU 73 N -3.01 1.78 -0.21 2.42 2.96 0.17 -2.35 118.68 120.44 1xf4 s LEU 73 Ca 0.20 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.49 1xf4 s LEU 73 Cb 0.06 -1.24 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 1xf4 s LEU 73 CO 0.00 -0.04 0.15 -0.75 -1.32 0.00 0.00 176.35 174.40 1xf4 s LYS 74 N 1.40 4.14 -0.26 1.98 2.20 0.17 -0.12 119.74 129.25 1xf4 s LYS 74 Ca 0.04 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1xf4 s LYS 74 Cb -0.13 -3.47 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1xf4 s LYS 74 CO -0.10 0.19 0.04 0.42 -0.36 0.00 0.00 175.35 175.54 1xf4 s ILE 75 N 0.66 3.85 0.17 5.43 1.01 -0.64 -0.48 121.20 131.20 1xf4 s ILE 75 Ca 0.08 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 60.00 1xf4 s ILE 75 Cb -0.12 -2.88 -0.08 0.00 0.01 0.00 0.00 42.46 39.39 1xf4 s ILE 75 CO 0.01 0.24 0.71 0.20 0.00 0.00 0.00 174.94 176.10 1xf4 s ASN 76 N 1.52 7.18 -0.83 3.58 0.01 0.43 -2.23 114.94 124.60 1xf4 s ASN 76 Ca 0.04 1.46 -0.12 0.00 -0.71 0.00 0.00 52.86 53.54 1xf4 s ASN 76 Cb -0.16 -2.43 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1xf4 s ASN 76 CO 0.01 0.15 0.53 -1.20 -1.51 0.00 0.00 177.10 175.09 1xf4 n SER 77 N 1.26 -3.80 -3.77 -1.22 7.64 -1.22 -4.78 113.62 107.73 1xf4 n SER 77 Ca -0.05 -0.95 -0.41 0.00 1.01 0.00 0.00 58.87 58.47 1xf4 n SER 77 Cb 0.50 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.34 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 -3.17 -1.05 -4.51 -3.43 4.77 0.12 -4.24 117.00 105.49 1xf4 n LEU 78 Ca -0.20 0.97 -0.24 0.00 -0.03 0.00 0.00 56.01 56.50 1xf4 n LEU 78 Cb 0.54 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1xf4 n LEU 78 CO 0.58 -2.54 -0.45 -1.10 -1.33 0.00 0.00 177.39 172.54 1xf4 s GLN 79 N -0.84 1.82 0.32 3.23 -1.52 -1.26 -0.21 119.66 121.19 1xf4 s GLN 79 Ca 0.55 -1.63 0.09 0.00 -1.95 0.00 0.00 55.36 52.42 1xf4 s GLN 79 Cb -0.80 -1.89 0.87 0.00 -0.22 0.00 0.00 33.01 30.96 1xf4 s GLN 79 CO 0.48 0.35 1.73 -1.35 -0.25 0.00 0.00 175.29 176.25 1xf4 h PRO 80 N 2.33 0.57 0.00 2.91 0.11 -1.99 0.22 132.00 136.15 1xf4 h PRO 80 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xf4 h PRO 80 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xf4 h PRO 80 CO 0.58 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 1xf4 n GLU 81 N -4.88 0.31 0.18 1.05 0.00 -1.26 -3.26 120.64 112.79 1xf4 n GLU 81 Ca 0.26 0.09 0.11 0.00 0.00 0.00 0.00 57.16 57.63 1xf4 n GLU 81 Cb 0.73 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.78 1xf4 n GLU 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1xf4 h ASP 82 N 0.00 0.00 -2.76 -1.84 3.32 -0.96 -3.45 116.42 110.73 1xf4 h ASP 82 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1xf4 h ASP 82 Cb 0.17 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1xf4 h ASP 82 CO 0.00 0.02 0.95 -0.36 -1.72 0.00 0.00 179.24 178.14 1xf4 s PHE 83 N -3.24 2.48 -2.05 4.55 0.08 -1.20 -4.80 117.98 113.80 1xf4 s PHE 83 Ca 0.05 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1xf4 s PHE 83 Cb 0.06 -3.80 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1xf4 s PHE 83 CO 0.71 -3.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.08 1xf4 n GLY 84 N 3.87 -0.66 3.46 4.36 0.00 -1.12 -4.91 105.19 110.20 1xf4 n GLY 84 Ca 0.15 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 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 3.70 0.10 1.61 0.01 -0.39 -0.06 113.70 114.68 1xf4 s SER 85 Ca 0.00 -0.68 0.08 0.00 1.31 0.00 0.00 55.95 56.65 1xf4 s SER 85 Cb 0.00 -0.43 -0.03 0.00 0.21 0.00 0.00 66.02 65.77 1xf4 s SER 85 CO 0.00 0.15 -0.19 -0.31 0.41 0.00 0.00 173.24 173.30 1xf4 s TYR 86 N -1.34 1.67 -0.08 2.43 1.51 0.26 -0.64 117.35 121.16 1xf4 s TYR 86 Ca 0.19 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.74 1xf4 s TYR 86 Cb -0.09 -0.91 0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1xf4 s TYR 86 CO 0.10 0.19 0.21 0.71 -1.11 0.00 0.00 175.55 175.65 1xf4 s TYR 87 N -1.32 -0.24 0.14 2.71 1.51 -0.63 0.59 117.35 120.10 1xf4 s TYR 87 Ca 0.06 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.73 1xf4 s TYR 87 Cb -0.09 0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.79 1xf4 s TYR 87 CO 0.04 -0.13 0.27 0.00 -1.11 0.00 0.00 175.55 174.62 1xf4 s GLN 89 N -3.15 0.37 0.14 0.00 0.74 -0.16 0.07 119.66 117.67 1xf4 s GLN 89 Ca 0.34 0.46 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1xf4 s GLN 89 Cb -0.11 0.17 -0.07 0.00 1.10 0.00 0.00 33.01 34.10 1xf4 s GLN 89 CO 0.28 -0.05 1.02 -1.58 -0.55 0.00 0.00 175.29 174.41 1xf4 s HIS 90 N 0.23 3.74 0.00 1.67 5.65 -0.89 0.51 115.29 126.21 1xf4 s HIS 90 Ca -0.01 1.73 0.00 0.00 0.25 0.00 0.00 55.06 57.03 1xf4 s HIS 90 Cb -0.03 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.24 1xf4 s HIS 90 CO -0.00 -0.10 0.00 -2.39 -0.65 0.00 0.00 174.74 171.60 1xf4 n HIS 91 N 2.56 0.00 -0.03 3.88 -0.00 -0.87 -3.95 115.22 116.81 1xf4 n HIS 91 Ca 0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.58 1xf4 n HIS 91 Cb 0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.33 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 0.17 -0.89 -1.40 -1.99 -1.95 -3.49 116.97 107.42 1xf4 h TYR 92 Ca 0.00 -0.12 -0.50 0.00 2.00 0.00 0.00 58.73 60.11 1xf4 h TYR 92 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1xf4 h TYR 92 CO 0.00 1.09 -0.20 0.20 -0.00 0.00 0.00 178.16 179.25 1xf4 s GLY 93 N -4.26 1.96 0.17 3.88 0.00 -1.26 -5.08 107.32 102.73 1xf4 s GLY 93 Ca -0.17 -1.84 -0.13 0.00 0.00 0.00 0.00 44.72 42.58 1xf4 s GLY 93 CO 0.73 -1.73 0.56 -0.51 0.00 0.00 0.00 173.10 172.15 1xf4 s THR 94 N -2.63 4.86 0.44 0.90 -4.23 -1.26 -3.69 115.64 110.03 1xf4 s THR 94 Ca 0.53 0.76 -0.08 0.00 -1.18 0.00 0.00 61.69 61.71 1xf4 s THR 94 Cb -0.05 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 1xf4 s THR 94 CO 0.33 0.15 0.77 -2.84 -0.54 0.00 0.00 174.62 172.49 1xf4 s PRO 95 N -2.20 3.65 -1.27 3.99 0.02 -1.26 -5.00 135.00 132.93 1xf4 s PRO 95 Ca 0.41 0.32 -0.05 0.00 0.02 0.00 0.00 61.00 61.70 1xf4 s PRO 95 Cb -0.14 -2.39 0.12 0.00 0.02 0.00 0.00 34.50 32.11 1xf4 s PRO 95 CO 0.20 -0.11 2.39 1.28 -0.33 0.00 0.00 177.00 180.42 1xf4 n LEU 96 N -1.77 7.97 -4.77 -5.54 4.32 -1.24 -4.83 117.00 111.14 1xf4 n LEU 96 Ca 0.01 -4.87 -0.37 0.00 -0.02 0.00 0.00 56.01 50.77 1xf4 n LEU 96 Cb 0.54 -1.35 0.01 0.00 -1.62 0.00 0.00 43.42 41.00 1xf4 n LEU 96 CO 0.51 2.05 0.85 -0.89 -1.22 0.00 0.00 177.39 178.68 1xf4 s THR 97 N -1.32 2.88 -0.01 -5.08 2.01 -1.25 -4.56 115.64 108.31 1xf4 s THR 97 Ca 0.54 0.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.13 1xf4 s THR 97 Cb 0.19 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1xf4 s THR 97 CO -0.10 -0.05 0.19 -0.36 -0.69 0.00 0.00 174.62 173.61 1xf4 s PHE 98 N -1.56 3.55 0.94 4.92 0.08 -1.26 -2.10 117.98 122.55 1xf4 s PHE 98 Ca 0.69 0.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.00 1xf4 s PHE 98 Cb -0.30 -1.84 0.16 0.00 -0.57 0.00 0.00 43.02 40.47 1xf4 s PHE 98 CO 0.35 0.64 1.10 0.20 -0.10 0.00 0.00 175.22 177.41 1xf4 s GLY 99 N -1.93 1.64 0.08 4.36 0.00 0.11 -4.72 107.32 106.86 1xf4 s GLY 99 Ca 0.27 0.22 0.23 0.00 0.00 0.00 0.00 44.72 45.45 1xf4 s GLY 99 CO 0.19 0.71 1.71 0.00 0.00 0.00 0.00 173.10 175.70 1xf4 n ALA 100 N -4.17 1.98 0.00 3.20 0.00 -1.26 -4.67 120.51 115.59 1xf4 n ALA 100 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xf4 n ALA 100 Cb 0.53 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1xf4 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf4 n GLY 101 N 0.69 2.58 3.01 0.00 0.00 -1.26 -5.04 105.19 105.17 1xf4 n GLY 101 Ca 0.05 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.97 1.48 -0.06 2.61 2.01 0.20 -4.54 115.64 115.36 1xf4 s THR 102 Ca 0.00 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 1xf4 s THR 102 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1xf4 s THR 102 CO 0.00 0.44 0.70 -0.75 -0.69 0.00 0.00 174.62 174.32 1xf4 s LYS 103 N 1.43 4.44 -0.22 4.92 2.20 0.05 -0.57 119.74 131.98 1xf4 s LYS 103 Ca 0.03 0.88 -0.01 0.00 -0.36 0.00 0.00 55.97 56.50 1xf4 s LYS 103 Cb -0.13 -3.44 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1xf4 s LYS 103 CO -0.09 0.07 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.71 1xf4 s LEU 104 N 0.76 2.75 0.28 5.43 2.96 0.92 -0.86 118.68 130.92 1xf4 s LEU 104 Ca 0.37 -0.65 0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1xf4 s LEU 104 Cb -0.18 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1xf4 s LEU 104 CO 0.18 -0.05 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.39 1xf4 s GLU 105 N 1.36 1.63 0.13 1.98 2.02 0.72 -2.79 118.70 123.76 1xf4 s GLU 105 Ca 0.03 -1.77 -0.14 0.00 0.02 0.00 0.00 54.97 53.12 1xf4 s GLU 105 Cb -0.15 -1.61 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 1xf4 s GLU 105 CO -0.07 0.25 0.52 -0.51 0.02 0.00 0.00 175.26 175.48 1xf4 s LEU 106 N -3.49 4.35 0.12 1.80 1.43 -1.26 -1.37 118.68 120.26 1xf4 s LEU 106 Ca 0.29 1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1xf4 s LEU 106 Cb -0.02 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1xf4 s LEU 106 CO 0.14 0.12 0.31 -0.54 0.23 0.00 0.00 176.35 176.61 1xf4 s LYS 107 N -1.92 3.52 0.35 1.70 1.02 0.27 -4.78 119.74 119.90 1xf4 s LYS 107 Ca 0.37 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.98 1xf4 s LYS 107 Cb -0.15 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1xf4 s LYS 107 CO 0.19 0.51 0.56 -0.98 -0.92 0.00 0.00 175.35 174.71 1xf4 s ARG 108 N -2.79 1.99 0.51 1.68 1.70 -1.26 -4.85 118.95 115.93 1xf4 s ARG 108 Ca 0.38 -1.66 -0.18 0.00 -0.47 0.00 0.00 55.73 53.79 1xf4 s ARG 108 Cb -0.12 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1xf4 s ARG 108 CO 0.27 -0.86 1.00 0.00 -1.08 0.00 0.00 175.30 174.64 1xf4 s ALA 109 N -2.89 2.95 0.39 7.88 0.00 -1.26 -4.99 121.76 123.84 1xf4 s ALA 109 Ca 0.26 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1xf4 s ALA 109 Cb -0.02 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 1xf4 s ALA 109 CO 0.18 -0.29 0.99 -0.25 0.00 0.00 0.00 175.76 176.39 1xf4 n ASP 110 N -1.34 1.20 -3.86 0.00 8.00 -1.26 -4.78 116.55 114.50 1xf4 n ASP 110 Ca 0.08 1.07 -0.12 0.00 0.71 0.00 0.00 54.79 56.53 1xf4 n ASP 110 Cb 0.53 -1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.17 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 -1.23 -0.07 0.40 2.24 0.00 0.27 -4.89 121.76 118.47 1xf4 s ALA 111 Ca 0.62 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.40 1xf4 s ALA 111 Cb -0.59 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 1xf4 s ALA 111 CO 0.58 -0.02 0.99 0.00 0.00 0.00 0.00 175.76 177.30 1xf4 s ALA 112 N -0.07 3.07 0.36 0.00 0.00 -1.26 -1.98 121.76 121.89 1xf4 s ALA 112 Ca -0.01 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.24 1xf4 s ALA 112 Cb -0.01 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1xf4 s ALA 112 CO 0.00 -0.01 0.99 -1.25 0.00 0.00 0.00 175.76 175.49 1xf4 s PRO 113 N -2.71 4.40 -0.32 0.00 0.04 -1.26 -4.56 135.00 130.59 1xf4 s PRO 113 Ca 0.58 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.80 1xf4 s PRO 113 Cb -0.16 -2.66 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1xf4 s PRO 113 CO 0.21 0.09 0.72 0.99 0.04 0.00 0.00 177.00 179.05 1xf4 s THR 114 N -1.66 4.84 -0.17 1.26 2.01 -0.23 -4.81 115.64 116.88 1xf4 s THR 114 Ca 0.54 0.94 -0.05 0.00 0.31 0.00 0.00 61.69 63.43 1xf4 s THR 114 Cb -0.20 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1xf4 s THR 114 CO 0.25 -0.26 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.23 1xf4 s VAL 115 N 2.84 4.17 -0.04 3.82 1.01 -1.26 0.54 120.40 131.48 1xf4 s VAL 115 Ca 0.29 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1xf4 s VAL 115 Cb -0.14 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1xf4 s VAL 115 CO 0.13 0.48 -0.09 -0.44 0.00 0.00 0.00 175.10 175.18 1xf4 s SER 116 N 0.41 1.31 -0.14 3.32 0.01 0.23 -4.95 113.70 113.90 1xf4 s SER 116 Ca -0.02 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 1xf4 s SER 116 Cb -0.14 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.59 1xf4 s SER 116 CO 0.02 0.04 0.03 -0.51 0.41 0.00 0.00 173.24 173.23 1xf4 s ILE 117 N 0.43 4.50 -0.03 1.44 2.07 -1.26 0.22 121.20 128.56 1xf4 s ILE 117 Ca -0.07 -0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1xf4 s ILE 117 Cb -0.11 -2.96 -0.01 0.00 0.13 0.00 0.00 42.46 39.50 1xf4 s ILE 117 CO 0.01 0.53 -0.21 -0.36 -1.91 0.00 0.00 174.94 173.00 1xf4 s PHE 118 N -0.20 1.97 0.72 3.50 0.40 0.24 -4.98 117.98 119.63 1xf4 s PHE 118 Ca 0.06 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 1xf4 s PHE 118 Cb -0.12 -1.28 0.02 0.00 0.51 0.00 0.00 43.02 42.15 1xf4 s PHE 118 CO 0.02 -0.09 1.07 -2.14 0.70 0.00 0.00 175.22 174.79 1xf4 s PRO 119 N -0.35 2.74 -0.02 0.24 0.02 -1.26 -1.77 135.00 134.60 1xf4 s PRO 119 Ca 0.04 0.73 -0.38 0.00 0.02 0.00 0.00 61.00 61.41 1xf4 s PRO 119 Cb -0.10 -1.99 -0.17 0.00 0.02 0.00 0.00 34.50 32.27 1xf4 s PRO 119 CO 0.00 -1.18 1.39 -2.30 -0.33 0.00 0.00 177.00 174.58 1xf4 n PRO 120 N -3.15 0.96 -1.88 5.54 -0.02 -1.21 -4.80 135.00 130.44 1xf4 n PRO 120 Ca 0.07 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 1xf4 n PRO 120 Cb 0.55 -1.97 0.04 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.10 5.15 0.60 2.55 1.04 -1.26 -4.94 113.70 117.94 1xf4 s SER 121 Ca 0.89 2.59 0.36 0.00 0.48 0.00 0.00 55.95 60.27 1xf4 s SER 121 Cb -1.04 -2.62 1.89 0.00 0.10 0.00 0.00 66.02 64.36 1xf4 s SER 121 CO 0.53 -1.63 2.21 0.77 0.98 0.00 0.00 173.24 176.10 1xf4 h SER 122 N 1.13 0.00 -0.05 7.02 4.64 -2.00 -2.78 113.55 121.51 1xf4 h SER 122 Ca -0.51 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.68 1xf4 h SER 122 Cb 1.30 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1xf4 h SER 122 CO 0.56 0.03 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.72 1xf4 h GLU 123 N 0.00 0.43 -0.27 4.77 5.08 -1.98 -3.17 114.58 119.43 1xf4 h GLU 123 Ca -0.00 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1xf4 h GLU 123 Cb 0.18 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xf4 h GLU 123 CO 0.00 1.04 -0.23 0.37 -1.00 0.00 0.00 179.01 179.20 1xf4 h GLN 124 N -0.05 0.51 -0.74 2.33 4.15 -1.81 -2.28 115.11 117.22 1xf4 h GLN 124 Ca -0.05 -0.19 0.13 0.00 0.77 0.00 0.00 58.65 59.31 1xf4 h GLN 124 Cb 1.18 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.79 1xf4 h GLN 124 CO 0.10 0.71 0.49 -0.07 -1.93 0.00 0.00 178.83 178.13 1xf4 h LEU 125 N 0.45 0.46 -0.56 -2.39 3.38 -1.43 0.25 115.31 115.48 1xf4 h LEU 125 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xf4 h LEU 125 Cb 0.65 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xf4 h LEU 125 CO 0.05 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.18 1xf4 n THR 126 N -4.49 0.95 1.10 0.22 -2.24 -0.86 -1.63 114.28 107.33 1xf4 n THR 126 Ca 0.13 0.30 0.11 0.00 -2.27 0.00 0.00 64.05 62.32 1xf4 n THR 126 Cb 0.44 -1.19 0.35 0.00 -2.10 0.00 0.00 70.33 67.83 1xf4 n THR 126 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xf4 n SER 127 N -2.01 1.92 0.00 3.42 3.41 0.89 -4.91 113.62 116.33 1xf4 n SER 127 Ca 0.02 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1xf4 n SER 127 Cb 0.18 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.18 0.97 3.44 5.00 0.00 -0.65 -5.00 105.19 110.13 1xf4 n GLY 128 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.99 1.77 -0.15 -0.02 0.00 -1.22 -2.05 107.32 103.66 1xf4 s GLY 129 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 42.95 1xf4 s GLY 129 CO 0.00 -1.77 0.28 0.00 0.00 0.00 0.00 173.10 171.61 1xf4 s ALA 130 N -1.97 -0.63 -0.20 3.20 0.00 0.28 -3.10 121.76 119.33 1xf4 s ALA 130 Ca 0.24 0.95 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 1xf4 s ALA 130 Cb -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1xf4 s ALA 130 CO 0.12 -0.72 -0.11 -1.12 0.00 0.00 0.00 175.76 173.93 1xf4 s SER 131 N 2.44 3.83 -0.30 0.00 0.01 -1.26 -0.92 113.70 117.51 1xf4 s SER 131 Ca 0.02 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 56.66 1xf4 s SER 131 Cb -0.12 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1xf4 s SER 131 CO -0.10 -0.01 0.25 -0.69 0.41 0.00 0.00 173.24 173.11 1xf4 s VAL 132 N 1.38 5.26 0.18 3.43 1.01 -0.51 -3.30 120.40 127.85 1xf4 s VAL 132 Ca 0.05 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1xf4 s VAL 132 Cb -0.14 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1xf4 s VAL 132 CO -0.07 0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.41 1xf4 s VAL 133 N 1.84 3.36 -0.29 2.92 1.01 -0.73 -0.41 120.40 128.11 1xf4 s VAL 133 Ca 0.09 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 1xf4 s VAL 133 Cb -0.16 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.65 1xf4 s VAL 133 CO 0.11 -0.12 0.64 0.00 0.00 0.00 0.00 175.10 175.73 1xf4 s PHE 135 N 2.56 3.43 -0.47 0.00 0.08 0.13 -1.48 117.98 122.24 1xf4 s PHE 135 Ca -0.07 0.34 -0.00 0.00 0.12 0.00 0.00 56.93 57.33 1xf4 s PHE 135 Cb -0.10 -2.04 0.12 0.00 -0.57 0.00 0.00 43.02 40.43 1xf4 s PHE 135 CO -0.19 0.43 0.24 -0.51 -0.10 0.00 0.00 175.22 175.10 1xf4 s LEU 136 N -0.20 4.97 -0.11 -0.37 1.02 0.98 -0.60 118.68 124.38 1xf4 s LEU 136 Ca 0.10 -2.44 -0.04 0.00 0.02 0.00 0.00 54.13 51.76 1xf4 s LEU 136 Cb -0.12 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1xf4 s LEU 136 CO 0.01 -0.41 0.05 0.20 0.02 0.00 0.00 176.35 176.22 1xf4 s ASN 137 N 0.95 5.65 -0.98 2.29 0.02 0.19 -0.23 114.94 122.83 1xf4 s ASN 137 Ca 0.13 0.25 -0.09 0.00 -1.02 0.00 0.00 52.86 52.12 1xf4 s ASN 137 Cb -0.22 -1.72 -0.03 0.00 0.02 0.00 0.00 41.25 39.31 1xf4 s ASN 137 CO -0.04 0.37 0.80 0.59 0.02 0.00 0.00 177.10 178.84 1xf4 n ASN 138 N 2.22 -6.36 -4.44 -1.22 4.13 -0.88 -1.06 115.26 107.66 1xf4 n ASN 138 Ca -0.19 -0.68 -0.23 0.00 1.68 0.00 0.00 54.58 55.16 1xf4 n ASN 138 Cb 0.54 -4.33 -0.10 0.00 -1.54 0.00 0.00 39.78 34.34 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 -3.28 2.16 -0.22 3.10 -0.71 0.20 -4.50 117.98 114.73 1xf4 s PHE 139 Ca 0.31 -0.38 -0.13 0.00 -1.04 0.00 0.00 56.93 55.69 1xf4 s PHE 139 Cb -0.08 -0.96 0.07 0.00 -1.21 0.00 0.00 43.02 40.84 1xf4 s PHE 139 CO 0.80 0.61 0.54 -0.47 -1.34 0.00 0.00 175.22 175.36 1xf4 s TYR 140 N -2.49 -0.78 0.49 3.49 5.04 -0.84 -0.92 117.35 121.33 1xf4 s TYR 140 Ca 0.27 1.64 -0.07 0.00 -2.44 0.00 0.00 57.07 56.47 1xf4 s TYR 140 Cb -0.05 0.40 0.11 0.00 0.35 0.00 0.00 41.96 42.78 1xf4 s TYR 140 CO 0.13 -0.41 0.66 -0.35 -1.34 0.00 0.00 175.55 174.24 1xf4 n PRO 141 N 4.11 -0.51 -0.15 4.97 -0.04 -1.26 0.95 135.00 143.06 1xf4 n PRO 141 Ca -0.21 -1.14 -0.08 0.00 -0.04 0.00 0.00 63.50 62.03 1xf4 n PRO 141 Cb 0.57 -0.65 0.01 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.62 -6.39 0.54 3.64 -1.98 -3.43 116.57 109.57 1xf4 h LYS 142 Ca -0.22 -0.06 -0.57 0.00 -1.27 0.00 0.00 60.65 58.54 1xf4 h LYS 142 Cb 0.62 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1xf4 h LYS 142 CO 0.16 0.46 1.10 -0.25 -2.27 0.00 0.00 179.45 178.66 1xf4 n ASP 143 N -4.72 3.76 -3.69 4.20 9.92 -1.26 -4.93 116.55 119.82 1xf4 n ASP 143 Ca 0.01 0.97 -0.11 0.00 -0.53 0.00 0.00 54.79 55.14 1xf4 n ASP 143 Cb 0.06 -1.47 -0.06 0.00 -0.64 0.00 0.00 41.12 39.01 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 3.38 0.08 -0.06 0.53 2.07 -1.26 -4.77 121.20 121.17 1xf4 s ILE 144 Ca 0.87 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1xf4 s ILE 144 Cb -0.57 -1.10 0.02 0.00 0.13 0.00 0.00 42.46 40.94 1xf4 s ILE 144 CO 0.43 -0.36 -0.07 0.20 -1.91 0.00 0.00 174.94 173.24 1xf4 s ASN 145 N -2.50 1.30 -0.13 4.50 0.01 -0.27 -5.00 114.94 112.86 1xf4 s ASN 145 Ca -0.00 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 51.94 1xf4 s ASN 145 Cb 0.01 -0.58 -0.03 0.00 0.41 0.00 0.00 41.25 41.06 1xf4 s ASN 145 CO -0.08 -0.04 -0.06 0.54 -1.51 0.00 0.00 177.10 175.95 1xf4 s VAL 146 N 0.96 3.73 -0.11 1.60 0.11 -1.26 0.09 120.40 125.52 1xf4 s VAL 146 Ca -0.10 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1xf4 s VAL 146 Cb -0.14 -2.60 -0.03 0.00 -1.53 0.00 0.00 36.38 32.08 1xf4 s VAL 146 CO 0.00 0.53 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.48 1xf4 s LYS 147 N 0.05 3.22 -0.02 1.54 2.20 0.14 -4.96 119.74 121.91 1xf4 s LYS 147 Ca -0.01 -0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1xf4 s LYS 147 Cb -0.14 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1xf4 s LYS 147 CO 0.03 0.43 0.10 -1.58 -0.36 0.00 0.00 175.35 173.97 1xf4 s TRP 148 N -0.17 3.35 0.02 4.03 0.52 -1.26 -0.89 118.94 124.54 1xf4 s TRP 148 Ca 0.02 0.26 0.01 0.00 0.02 0.00 0.00 56.10 56.41 1xf4 s TRP 148 Cb -0.13 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.41 1xf4 s TRP 148 CO 0.03 0.58 -0.05 0.15 0.02 0.00 0.00 176.95 177.67 1xf4 s LYS 149 N -1.70 0.39 -0.22 4.98 1.02 -0.81 -1.17 119.74 122.23 1xf4 s LYS 149 Ca 0.23 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 1xf4 s LYS 149 Cb -0.12 -0.22 0.07 0.00 -0.52 0.00 0.00 37.83 37.05 1xf4 s LYS 149 CO 0.14 0.04 0.08 0.42 -0.92 0.00 0.00 175.35 175.11 1xf4 s ILE 150 N -0.85 0.27 -1.69 2.17 1.01 -0.47 -1.31 121.20 120.32 1xf4 s ILE 150 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1xf4 s ILE 150 Cb -0.06 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.43 1xf4 s ILE 150 CO -0.00 -0.40 0.00 0.47 0.00 0.00 0.00 174.94 175.01 1xf4 n ASP 151 N 5.13 -4.98 0.00 3.58 8.00 -0.70 -2.67 116.55 124.92 1xf4 n ASP 151 Ca -0.07 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1xf4 n ASP 151 Cb 0.46 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 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 -0.67 0.74 3.05 0.44 0.00 -1.26 -5.01 105.19 102.48 1xf4 n GLY 152 Ca -0.20 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.70 3.69 0.47 1.61 0.01 -1.09 -5.06 113.70 110.63 1xf4 s SER 153 Ca 0.00 -1.00 -0.24 0.00 1.31 0.00 0.00 55.95 56.02 1xf4 s SER 153 Cb 0.00 -1.40 -0.08 0.00 0.21 0.00 0.00 66.02 64.75 1xf4 s SER 153 CO 0.00 -0.12 1.27 1.21 0.41 0.00 0.00 173.24 176.01 1xf4 n GLU 154 N 4.58 1.80 -3.78 12.44 2.13 -1.25 -1.37 120.64 135.19 1xf4 n GLU 154 Ca -0.16 0.65 -0.22 0.00 0.66 0.00 0.00 57.16 58.09 1xf4 n GLU 154 Cb 0.46 -2.42 -0.17 0.00 0.27 0.00 0.00 31.44 29.57 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 -2.43 0.47 -0.18 5.31 6.06 -0.31 -4.90 118.95 122.96 1xf4 s ARG 155 Ca 0.65 0.15 -0.15 0.00 -2.50 0.00 0.00 55.73 53.88 1xf4 s ARG 155 Cb -0.47 -0.85 -0.21 0.00 0.06 0.00 0.00 34.95 33.48 1xf4 s ARG 155 CO 0.55 -0.29 0.21 1.04 -2.50 0.00 0.00 175.30 174.31 1xf4 n GLN 156 N 5.06 0.64 -1.87 5.12 6.02 -1.26 -4.36 117.38 126.73 1xf4 n GLN 156 Ca -0.08 0.42 -0.42 0.00 -0.01 0.00 0.00 57.00 56.91 1xf4 n GLN 156 Cb 0.50 -1.71 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 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 -6.96 6.52 0.00 1.08 3.84 -1.26 -3.34 114.94 114.82 1xf4 s ASN 157 Ca -0.27 2.71 0.00 0.00 0.21 0.00 0.00 52.86 55.51 1xf4 s ASN 157 Cb 0.07 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 1xf4 s ASN 157 CO 0.65 -0.86 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 1xf4 n GLY 158 N 3.59 0.81 3.53 1.21 0.00 -1.26 -4.86 105.19 108.21 1xf4 n GLY 158 Ca 0.14 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 4.90 -0.08 1.61 1.01 -1.21 -0.78 120.40 123.85 1xf4 s VAL 159 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1xf4 s VAL 159 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1xf4 s VAL 159 CO 0.00 0.26 -0.20 -0.76 0.00 0.00 0.00 175.10 174.40 1xf4 s LEU 160 N 1.70 2.34 0.05 3.92 1.43 -0.12 -4.96 118.68 123.04 1xf4 s LEU 160 Ca 0.07 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1xf4 s LEU 160 Cb -0.16 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1xf4 s LEU 160 CO 0.08 0.23 -0.18 0.20 0.23 0.00 0.00 176.35 176.90 1xf4 s ASN 161 N -0.03 2.18 -0.12 2.29 0.02 -1.26 -0.10 114.94 117.92 1xf4 s ASN 161 Ca -0.06 -0.51 -0.06 0.00 -1.02 0.00 0.00 52.86 51.21 1xf4 s ASN 161 Cb -0.15 -0.16 0.05 0.00 0.02 0.00 0.00 41.25 41.01 1xf4 s ASN 161 CO 0.05 0.10 0.27 -0.55 0.02 0.00 0.00 177.10 176.99 1xf4 s SER 162 N -1.23 -0.23 -0.06 -1.22 0.15 0.51 -4.99 113.70 106.64 1xf4 s SER 162 Ca 0.05 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.28 1xf4 s SER 162 Cb -0.09 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1xf4 s SER 162 CO 0.02 -0.18 -0.02 0.26 1.20 0.00 0.00 173.24 174.52 1xf4 s TRP 163 N 1.42 3.08 0.61 3.44 0.51 -1.26 -0.65 118.94 126.09 1xf4 s TRP 163 Ca -0.08 0.12 -0.09 0.00 -2.12 0.00 0.00 56.10 53.93 1xf4 s TRP 163 Cb -0.10 -1.74 -0.02 0.00 -0.81 0.00 0.00 33.47 30.80 1xf4 s TRP 163 CO -0.09 0.43 0.99 0.95 -0.51 0.00 0.00 176.95 178.72 1xf4 s THR 164 N -0.92 4.31 0.93 2.01 -4.23 -0.54 -5.03 115.64 112.18 1xf4 s THR 164 Ca 0.15 0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1xf4 s THR 164 Cb -0.11 -3.72 0.15 0.00 1.34 0.00 0.00 72.50 70.16 1xf4 s THR 164 CO 0.04 -0.88 1.09 -1.81 -0.54 0.00 0.00 174.62 172.52 1xf4 s ASP 165 N -4.23 3.11 0.30 3.99 1.01 -1.26 -4.64 116.67 114.95 1xf4 s ASP 165 Ca 0.54 1.58 -0.30 0.00 0.71 0.00 0.00 52.55 55.09 1xf4 s ASP 165 Cb -0.11 -2.24 -0.12 0.00 1.01 0.00 0.00 42.92 41.46 1xf4 s ASP 165 CO 0.51 -2.88 1.50 1.67 0.21 0.00 0.00 175.17 176.18 1xf4 n GLN 166 N -4.05 2.49 -2.05 8.23 7.27 -1.26 -4.76 117.38 123.25 1xf4 n GLN 166 Ca 0.07 0.88 -0.42 0.00 0.07 0.00 0.00 57.00 57.60 1xf4 n GLN 166 Cb 0.55 -2.61 -0.03 0.00 2.41 0.00 0.00 30.24 30.56 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 0.26 6.71 0.56 1.69 2.15 0.86 -4.89 116.67 124.00 1xf4 s ASP 167 Ca 0.62 2.40 0.34 0.00 0.43 0.00 0.00 52.55 56.34 1xf4 s ASP 167 Cb -0.53 -2.57 1.41 0.00 -0.30 0.00 0.00 42.92 40.93 1xf4 s ASP 167 CO 0.53 -0.78 2.00 0.77 -0.17 0.00 0.00 175.17 177.52 1xf4 h SER 168 N 7.54 0.00 0.02 -0.34 4.64 -1.90 -0.18 113.55 123.33 1xf4 h SER 168 Ca -0.41 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.52 1xf4 h SER 168 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1xf4 h SER 168 CO 0.90 0.00 -2.22 0.29 -0.87 0.00 0.00 176.83 174.94 1xf4 n LYS 169 N -3.08 0.64 -0.01 4.77 5.02 -1.26 -4.74 118.16 119.50 1xf4 n LYS 169 Ca 0.00 0.28 0.01 0.00 -2.02 0.00 0.00 58.31 56.58 1xf4 n LYS 169 Cb 0.29 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 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 -3.81 1.38 0.00 4.39 5.68 -1.23 -5.00 116.55 117.96 1xf4 n ASP 170 Ca -0.44 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1xf4 n ASP 170 Cb 0.92 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.89 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 0.04 -4.90 -3.75 -1.12 7.64 -0.08 -4.96 113.62 106.48 1xf4 n SER 171 Ca 0.01 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.69 1xf4 n SER 171 Cb 0.10 -2.43 0.13 0.00 -1.01 0.00 0.00 64.21 61.00 1xf4 n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xf4 n THR 172 N -2.35 0.00 -4.33 0.44 -2.24 -1.26 -4.53 114.28 100.02 1xf4 n THR 172 Ca 0.00 -1.01 -0.17 0.00 -2.27 0.00 0.00 64.05 60.60 1xf4 n THR 172 Cb 0.32 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.15 1xf4 n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xf4 s TYR 173 N -2.81 1.60 0.03 4.78 2.02 -0.10 -0.09 117.35 122.78 1xf4 s TYR 173 Ca 0.55 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 1xf4 s TYR 173 Cb -0.02 -0.79 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 1xf4 s TYR 173 CO 0.38 0.25 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.43 1xf4 s SER 174 N -3.29 0.73 0.01 2.29 0.01 -1.26 0.62 113.70 112.82 1xf4 s SER 174 Ca 0.22 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1xf4 s SER 174 Cb 0.01 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 1xf4 s SER 174 CO 0.06 -0.15 -0.09 -0.32 0.41 0.00 0.00 173.24 173.14 1xf4 s MET 175 N -1.24 0.68 -0.12 12.44 1.75 0.68 -1.47 119.30 132.02 1xf4 s MET 175 Ca -0.08 -0.43 0.01 0.00 -1.25 0.00 0.00 55.69 53.94 1xf4 s MET 175 Cb -0.08 -0.63 -0.02 0.00 2.84 0.00 0.00 34.83 36.94 1xf4 s MET 175 CO 0.00 0.17 -0.14 0.45 -0.65 0.00 0.00 175.02 174.85 1xf4 s SER 176 N -0.54 3.97 -0.12 1.11 0.15 0.17 -0.01 113.70 118.43 1xf4 s SER 176 Ca 0.01 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1xf4 s SER 176 Cb -0.05 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1xf4 s SER 176 CO 0.00 0.19 -0.13 -0.55 1.20 0.00 0.00 173.24 173.95 1xf4 s SER 177 N 0.21 2.45 -0.19 5.45 0.15 -0.55 -0.36 113.70 120.85 1xf4 s SER 177 Ca -0.09 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1xf4 s SER 177 Cb -0.15 -1.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.11 1xf4 s SER 177 CO 0.05 -0.04 -0.13 -0.89 1.20 0.00 0.00 173.24 173.43 1xf4 s THR 178 N 1.34 2.66 -0.46 6.45 2.01 0.86 -1.91 115.64 126.59 1xf4 s THR 178 Ca 0.00 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1xf4 s THR 178 Cb -0.14 -2.16 0.06 0.00 0.01 0.00 0.00 72.50 70.27 1xf4 s THR 178 CO -0.07 0.49 0.39 -0.22 -0.69 0.00 0.00 174.62 174.53 1xf4 s LEU 179 N 1.28 5.43 -0.29 4.42 2.96 0.45 -0.94 118.68 131.99 1xf4 s LEU 179 Ca 0.04 -1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 52.66 1xf4 s LEU 179 Cb -0.14 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1xf4 s LEU 179 CO -0.07 -0.62 0.22 -0.89 -1.32 0.00 0.00 176.35 173.67 1xf4 s THR 180 N 1.74 5.29 0.32 3.68 2.01 0.04 -1.43 115.64 127.29 1xf4 s THR 180 Ca 0.05 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1xf4 s THR 180 Cb -0.22 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.63 1xf4 s THR 180 CO 0.08 0.18 0.03 -0.76 -0.69 0.00 0.00 174.62 173.46 1xf4 s LEU 181 N 1.77 2.30 0.75 4.42 1.43 -0.09 -4.73 118.68 124.53 1xf4 s LEU 181 Ca 0.07 -1.33 -0.11 0.00 -1.03 0.00 0.00 54.13 51.73 1xf4 s LEU 181 Cb -0.16 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1xf4 s LEU 181 CO 0.11 -0.54 1.08 0.42 0.23 0.00 0.00 176.35 177.65 1xf4 s THR 182 N -3.20 3.54 0.19 5.49 -4.23 -1.26 -0.56 115.64 115.61 1xf4 s THR 182 Ca 0.35 0.50 -0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1xf4 s THR 182 Cb 0.08 -3.24 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1xf4 s THR 182 CO 0.15 -0.65 1.72 0.50 -0.54 0.00 0.00 174.62 175.80 1xf4 h LYS 183 N -0.91 0.27 0.08 3.99 3.64 -1.64 -2.02 116.57 119.98 1xf4 h LYS 183 Ca -0.45 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xf4 h LYS 183 Cb 1.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1xf4 h LYS 183 CO 0.58 0.18 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.46 1xf4 h ASP 184 N 0.28 -0.09 -0.54 4.20 3.32 -1.94 -0.09 116.42 121.55 1xf4 h ASP 184 Ca 0.27 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1xf4 h ASP 184 Cb 0.35 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1xf4 h ASP 184 CO -0.32 0.09 0.18 -0.08 -1.72 0.00 0.00 179.24 177.39 1xf4 h GLU 185 N -0.28 0.34 -0.89 3.56 4.81 -1.94 -1.14 114.58 119.04 1xf4 h GLU 185 Ca -0.01 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1xf4 h GLU 185 Cb 0.23 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1xf4 h GLU 185 CO 0.02 0.23 0.55 -0.92 -0.73 0.00 0.00 179.01 178.16 1xf4 h TYR 186 N 0.36 1.01 0.00 0.92 3.20 -1.27 -2.70 116.97 118.48 1xf4 h TYR 186 Ca 0.27 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1xf4 h TYR 186 Cb 0.31 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1xf4 h TYR 186 CO -0.17 0.48 0.00 0.39 -1.64 0.00 0.00 178.16 177.22 1xf4 n GLU 187 N -4.63 0.93 -0.00 1.82 -0.58 -0.06 -3.38 120.64 114.75 1xf4 n GLU 187 Ca 0.14 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.94 1xf4 n GLU 187 Cb 0.22 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 1xf4 n GLU 187 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1xf4 n ARG 188 N -1.01 2.18 -4.55 3.49 0.63 -0.90 -4.96 116.66 111.53 1xf4 n ARG 188 Ca 0.23 -0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.89 1xf4 n ARG 188 Cb 0.11 -1.18 -0.11 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.39 2.30 0.05 -0.14 3.76 -1.22 -5.11 115.29 112.55 1xf4 s HIS 189 Ca 0.04 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1xf4 s HIS 189 Cb 0.10 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1xf4 s HIS 189 CO 0.57 0.28 0.00 -1.71 -0.85 0.00 0.00 174.74 173.03 1xf4 n ASN 190 N -0.86 0.52 -4.71 1.40 5.15 -1.26 -4.88 115.26 110.63 1xf4 n ASN 190 Ca -0.04 0.08 -0.42 0.00 -0.60 0.00 0.00 54.58 53.60 1xf4 n ASN 190 Cb 0.67 -0.15 -0.03 0.00 -0.53 0.00 0.00 39.78 39.74 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 -5.47 7.08 -0.11 1.20 0.15 -1.26 -2.53 113.70 112.76 1xf4 s SER 191 Ca 0.00 2.00 0.01 0.00 0.70 0.00 0.00 55.95 58.66 1xf4 s SER 191 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1xf4 s SER 191 CO 0.00 -0.47 -0.13 -0.31 1.20 0.00 0.00 173.24 173.53 1xf4 s TYR 192 N 1.12 1.83 -0.08 3.44 2.02 -1.01 -1.73 117.35 122.94 1xf4 s TYR 192 Ca 0.58 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 1xf4 s TYR 192 Cb -0.29 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1xf4 s TYR 192 CO 0.29 -0.48 -0.17 0.99 -1.57 0.00 0.00 175.55 174.60 1xf4 s THR 193 N 1.15 1.55 -0.25 -0.71 2.01 -0.43 -2.08 115.64 116.89 1xf4 s THR 193 Ca -0.04 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 1xf4 s THR 193 Cb -0.14 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1xf4 s THR 193 CO -0.03 0.45 0.08 0.00 -0.69 0.00 0.00 174.62 174.42 1xf4 s GLU 195 N 1.56 3.19 -0.31 0.00 2.02 -0.07 -0.68 118.70 124.41 1xf4 s GLU 195 Ca 0.06 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 1xf4 s GLU 195 Cb -0.15 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.34 1xf4 s GLU 195 CO 0.04 -0.20 0.02 0.00 0.02 0.00 0.00 175.26 175.14 1xf4 s ALA 196 N 1.37 2.85 -0.20 5.21 0.00 -0.66 0.24 121.76 130.57 1xf4 s ALA 196 Ca 0.05 -1.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.06 1xf4 s ALA 196 Cb -0.14 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1xf4 s ALA 196 CO -0.08 -1.32 0.25 0.99 0.00 0.00 0.00 175.76 175.60 1xf4 s THR 197 N 1.24 5.32 -0.12 0.00 2.01 0.11 -0.94 115.64 123.27 1xf4 s THR 197 Ca -0.04 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 1xf4 s THR 197 Cb -0.20 -3.58 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1xf4 s THR 197 CO -0.01 0.36 0.47 -2.28 -0.69 0.00 0.00 174.62 172.46 1xf4 s HIS 198 N 0.78 -0.46 0.62 4.92 2.46 -1.26 -1.11 115.29 121.24 1xf4 s HIS 198 Ca 0.13 1.01 0.33 0.00 0.47 0.00 0.00 55.06 57.00 1xf4 s HIS 198 Cb -0.13 0.19 1.84 0.00 -0.13 0.00 0.00 32.58 34.35 1xf4 s HIS 198 CO 0.04 -0.34 2.13 1.57 -2.47 0.00 0.00 174.74 175.66 1xf4 h LYS 199 N 4.66 0.00 0.00 2.88 2.10 -1.94 -1.16 116.57 123.11 1xf4 h LYS 199 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1xf4 h LYS 199 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1xf4 h LYS 199 CO 0.28 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.98 1xf4 n THR 200 N -3.44 0.98 -3.75 0.07 -2.24 -1.26 -4.78 114.28 99.85 1xf4 n THR 200 Ca -0.00 0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 62.11 1xf4 n THR 200 Cb 0.28 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.07 1xf4 n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xf4 s SER 201 N -4.02 -0.05 -0.05 3.42 1.04 -0.44 -4.98 113.70 108.62 1xf4 s SER 201 Ca 0.02 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 1xf4 s SER 201 Cb 0.08 0.41 -0.31 0.00 0.10 0.00 0.00 66.02 66.29 1xf4 s SER 201 CO 0.29 -0.79 0.82 0.74 0.98 0.00 0.00 173.24 175.28 1xf4 h THR 202 N 2.56 1.32 -3.32 2.02 2.02 -1.86 -3.42 112.91 112.23 1xf4 h THR 202 Ca -0.34 -2.53 -0.58 0.00 0.77 0.00 0.00 66.41 63.73 1xf4 h THR 202 Cb 1.23 3.03 -0.07 0.00 -1.74 0.00 0.00 68.15 70.60 1xf4 h THR 202 CO 0.51 0.74 0.35 -0.44 0.37 0.00 0.00 175.52 177.06 1xf4 s SER 203 N -7.13 6.94 0.38 4.18 0.01 -1.26 -5.01 113.70 111.82 1xf4 s SER 203 Ca -0.14 1.16 -0.24 0.00 1.31 0.00 0.00 55.95 58.03 1xf4 s SER 203 Cb 0.03 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.69 1xf4 s SER 203 CO 0.84 -0.37 0.78 -2.65 0.41 0.00 0.00 173.24 172.25 1xf4 n PRO 204 N 5.12 0.92 -2.63 12.44 -0.02 -1.26 -4.90 135.00 144.67 1xf4 n PRO 204 Ca 0.04 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1xf4 n PRO 204 Cb 0.49 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.30 4.02 0.03 4.25 1.01 -0.11 -4.80 121.20 124.30 1xf4 s ILE 205 Ca 0.62 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 1xf4 s ILE 205 Cb -0.63 -4.74 -0.06 0.00 0.01 0.00 0.00 42.46 37.04 1xf4 s ILE 205 CO 0.58 -1.43 0.46 0.54 0.00 0.00 0.00 174.94 175.09 1xf4 s VAL 206 N 4.93 4.93 -0.07 2.92 0.11 -1.26 -1.65 120.40 130.31 1xf4 s VAL 206 Ca 0.38 0.94 -0.03 0.00 -2.93 0.00 0.00 61.98 60.35 1xf4 s VAL 206 Cb -0.09 -3.77 0.04 0.00 -1.53 0.00 0.00 36.38 31.04 1xf4 s VAL 206 CO 0.21 0.55 0.15 -0.75 -3.33 0.00 0.00 175.10 171.93 1xf4 s LYS 207 N -1.16 0.06 0.03 1.54 2.47 0.15 -4.98 119.74 117.84 1xf4 s LYS 207 Ca 0.26 0.45 -0.05 0.00 -1.56 0.00 0.00 55.97 55.07 1xf4 s LYS 207 Cb -0.17 -0.23 -0.01 0.00 -1.46 0.00 0.00 37.83 35.95 1xf4 s LYS 207 CO 0.16 -0.23 0.08 -1.12 0.16 0.00 0.00 175.35 174.39 1xf4 s SER 208 N 1.68 0.16 0.03 1.43 0.01 -1.26 0.33 113.70 116.07 1xf4 s SER 208 Ca -0.04 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1xf4 s SER 208 Cb -0.12 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1xf4 s SER 208 CO -0.06 -0.44 -0.07 0.72 0.41 0.00 0.00 173.24 173.81 1xf4 s PHE 209 N -2.10 0.63 -0.21 2.43 -0.12 -0.88 -5.01 117.98 112.71 1xf4 s PHE 209 Ca -0.09 -0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 56.25 1xf4 s PHE 209 Cb -0.04 -0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 41.92 1xf4 s PHE 209 CO -0.02 -0.07 0.28 -0.80 -0.05 0.00 0.00 175.22 174.56 1xf4 s ASN 210 N -1.25 6.32 0.14 1.98 0.01 -1.26 -2.42 114.94 118.46 1xf4 s ASN 210 Ca -0.07 0.37 -0.14 0.00 -0.71 0.00 0.00 52.86 52.30 1xf4 s ASN 210 Cb -0.08 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.42 1xf4 s ASN 210 CO 0.00 0.02 1.63 -0.09 -1.51 0.00 0.00 177.10 177.16 1xf4 h ARG 211 N 7.23 0.75 0.00 -0.60 2.43 -1.83 -2.48 114.38 119.88 1xf4 h ARG 211 Ca -0.38 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.60 1xf4 h ARG 211 Cb 1.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1xf4 h ARG 211 CO 0.71 0.76 0.00 0.27 -1.51 0.00 0.00 179.97 180.20 1xf4 n ASN 212 N -4.47 0.00 -0.57 -3.80 2.04 -1.26 -5.17 115.26 102.03 1xf4 n ASN 212 Ca 0.01 0.44 0.14 0.00 -0.44 0.00 0.00 54.58 54.72 1xf4 n ASN 212 Cb 0.23 -0.46 0.45 0.00 -2.53 0.00 0.00 39.78 37.47 1xf4 n ASN 212 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20