#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfq s ILE 2 N 0.00 5.12 -0.13 0.53 1.01 -1.26 -4.99 121.20 121.48 1jfq s ILE 2 Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 1jfq s ILE 2 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1jfq s ILE 2 CO 0.00 0.16 0.68 -1.10 0.00 0.00 0.00 174.94 174.68 1jfq s GLN 3 N 1.86 4.33 -0.24 2.79 1.11 -1.26 -4.80 119.66 123.46 1jfq s GLN 3 Ca 0.21 0.77 -0.07 0.00 0.01 0.00 0.00 55.36 56.28 1jfq s GLN 3 Cb -0.15 -3.51 -0.03 0.00 -1.01 0.00 0.00 33.01 28.31 1jfq s GLN 3 CO 0.09 -0.09 0.05 -1.64 0.01 0.00 0.00 175.29 173.70 1jfq s MET 4 N 1.38 3.63 -0.12 2.91 -1.94 -1.26 -1.05 119.30 122.85 1jfq s MET 4 Ca 0.34 -0.50 0.03 0.00 -1.71 0.00 0.00 55.69 53.85 1jfq s MET 4 Cb -0.17 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1jfq s MET 4 CO 0.14 -0.15 -0.21 0.95 -0.01 0.00 0.00 175.02 175.74 1jfq s THR 5 N 1.48 2.23 -0.27 2.05 -4.23 0.19 -3.98 115.64 113.11 1jfq s THR 5 Ca 0.06 -0.94 -0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1jfq s THR 5 Cb -0.15 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1jfq s THR 5 CO 0.02 0.55 0.31 -1.10 -0.54 0.00 0.00 174.62 173.87 1jfq s GLN 6 N 0.53 4.00 0.07 3.99 -0.21 -1.26 0.13 119.66 126.90 1jfq s GLN 6 Ca -0.13 -0.07 -0.33 0.00 0.02 0.00 0.00 55.36 54.85 1jfq s GLN 6 Cb -0.17 -3.65 -0.16 0.00 1.00 0.00 0.00 33.01 30.02 1jfq s GLN 6 CO 0.05 -0.24 1.50 0.82 -2.12 0.00 0.00 175.29 175.30 1jfq h ILE 7 N 5.38 0.00 -3.46 1.08 2.04 -1.73 -3.38 117.51 117.45 1jfq h ILE 7 Ca -0.33 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 64.92 1jfq h ILE 7 Cb 1.17 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.14 1jfq h ILE 7 CO 0.61 0.00 0.22 -2.84 0.00 0.00 0.00 178.15 176.15 1jfq s PRO 8 N -5.59 4.07 0.18 2.37 0.02 -1.26 -4.91 135.00 129.87 1jfq s PRO 8 Ca -0.17 0.56 0.01 0.00 0.02 0.00 0.00 61.00 61.43 1jfq s PRO 8 Cb 0.03 -3.67 0.05 0.00 0.02 0.00 0.00 34.50 30.93 1jfq s PRO 8 CO 0.54 -0.48 1.42 1.03 -0.33 0.00 0.00 177.00 179.18 1jfq h SER 9 N 7.93 0.34 -4.87 2.53 0.87 -1.83 -3.41 113.55 115.11 1jfq h SER 9 Ca -0.26 -0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 59.90 1jfq h SER 9 Cb 1.12 -0.10 -0.21 0.00 -0.44 0.00 0.00 62.40 62.76 1jfq h SER 9 CO 0.80 1.01 -0.50 -0.94 -0.53 0.00 0.00 176.83 176.67 1jfq s SER 10 N -6.95 0.01 -0.07 6.23 1.04 -1.26 -2.00 113.70 110.70 1jfq s SER 10 Ca -0.04 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 1jfq s SER 10 Cb 0.10 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1jfq s SER 10 CO 0.83 -0.34 0.17 -0.22 0.98 0.00 0.00 173.24 174.66 1jfq s LEU 11 N -1.26 1.17 -0.14 2.42 0.20 0.16 -4.90 118.68 116.33 1jfq s LEU 11 Ca -0.13 0.35 -0.03 0.00 0.69 0.00 0.00 54.13 55.00 1jfq s LEU 11 Cb -0.07 0.56 -0.03 0.00 -0.43 0.00 0.00 46.19 46.22 1jfq s LEU 11 CO 0.01 -0.08 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.52 1jfq s SER 12 N 0.37 4.88 0.09 3.68 0.01 -1.26 -1.18 113.70 120.28 1jfq s SER 12 Ca -0.02 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.05 1jfq s SER 12 Cb -0.04 -1.71 0.01 0.00 0.21 0.00 0.00 66.02 64.50 1jfq s SER 12 CO -0.02 0.21 0.25 0.00 0.41 0.00 0.00 173.24 174.09 1jfq s ALA 13 N 0.12 -0.43 -0.02 1.44 0.00 -0.92 -4.85 121.76 117.09 1jfq s ALA 13 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1jfq s ALA 13 Cb -0.13 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1jfq s ALA 13 CO 0.03 -0.52 0.15 -1.12 0.00 0.00 0.00 175.76 174.30 1jfq s SER 14 N -2.72 6.19 0.24 0.00 0.01 -1.26 -0.29 113.70 115.87 1jfq s SER 14 Ca 0.03 0.31 -0.30 0.00 1.31 0.00 0.00 55.95 57.30 1jfq s SER 14 Cb 0.03 -1.91 -0.15 0.00 0.21 0.00 0.00 66.02 64.21 1jfq s SER 14 CO -0.10 0.29 1.10 0.18 0.41 0.00 0.00 173.24 175.12 1jfq n LEU 15 N 1.16 1.83 0.00 2.44 4.77 -1.26 -1.07 117.00 124.87 1jfq n LEU 15 Ca -0.13 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1jfq n LEU 15 Cb 0.53 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1jfq n LEU 15 CO 0.41 -1.28 0.00 0.61 -1.33 0.00 0.00 177.39 175.80 1jfq n GLY 16 N 1.59 2.89 3.76 -0.72 0.00 -0.44 -4.91 105.19 107.36 1jfq n GLY 16 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1jfq n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jfq s ASP 17 N -1.23 4.80 -0.22 1.61 -0.00 -0.23 -4.31 116.67 117.09 1jfq s ASP 17 Ca 0.00 2.06 -0.18 0.00 -0.00 0.00 0.00 52.55 54.44 1jfq s ASP 17 Cb 0.00 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.33 1jfq s ASP 17 CO 0.00 -1.84 0.49 -0.60 -0.00 0.00 0.00 175.17 173.22 1jfq s ARG 18 N -4.14 4.14 -0.03 8.23 3.52 -1.25 -0.31 118.95 129.11 1jfq s ARG 18 Ca 0.68 0.32 0.04 0.00 -0.13 0.00 0.00 55.73 56.64 1jfq s ARG 18 Cb -0.22 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 1jfq s ARG 18 CO 0.44 -0.19 -0.12 0.08 -0.81 0.00 0.00 175.30 174.69 1jfq s VAL 19 N 1.79 3.22 -0.03 7.11 1.01 0.25 -4.98 120.40 128.76 1jfq s VAL 19 Ca 0.22 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1jfq s VAL 19 Cb -0.15 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1jfq s VAL 19 CO 0.09 0.52 -0.04 -0.55 0.00 0.00 0.00 175.10 175.12 1jfq s SER 20 N -0.97 0.74 -0.06 3.32 0.15 -1.26 0.13 113.70 115.75 1jfq s SER 20 Ca 0.13 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.73 1jfq s SER 20 Cb -0.11 -0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1jfq s SER 20 CO 0.03 -0.03 -0.23 -0.63 1.20 0.00 0.00 173.24 173.58 1jfq s ILE 21 N 0.67 2.26 -0.01 6.45 1.01 0.14 -4.94 121.20 126.78 1jfq s ILE 21 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 1jfq s ILE 21 Cb -0.11 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1jfq s ILE 21 CO -0.00 0.57 0.14 -0.44 0.00 0.00 0.00 174.94 175.20 1jfq s SER 22 N -0.17 6.05 -0.03 3.58 0.01 -1.26 -0.60 113.70 121.28 1jfq s SER 22 Ca -0.03 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 57.47 1jfq s SER 22 Cb -0.14 -1.83 0.03 0.00 0.21 0.00 0.00 66.02 64.30 1jfq s SER 22 CO 0.04 0.27 0.04 0.00 0.41 0.00 0.00 173.24 173.99 1jfq s ARG 24 N 1.64 2.56 0.13 0.00 0.52 0.12 -1.56 118.95 122.37 1jfq s ARG 24 Ca -0.02 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1jfq s ARG 24 Cb -0.13 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1jfq s ARG 24 CO -0.03 0.48 0.16 0.00 0.02 0.00 0.00 175.30 175.94 1jfq s ALA 25 N -0.39 3.71 -0.45 2.13 0.00 -0.38 -0.64 121.76 125.75 1jfq s ALA 25 Ca 0.03 -1.08 0.24 0.00 0.00 0.00 0.00 51.96 51.15 1jfq s ALA 25 Cb -0.12 -1.53 1.00 0.00 0.00 0.00 0.00 23.12 22.47 1jfq s ALA 25 CO 0.02 0.61 1.73 -1.13 0.00 0.00 0.00 175.76 176.98 1jfq n SER 26 N -0.13 0.71 -3.55 0.00 3.41 -0.21 -4.79 113.62 109.05 1jfq n SER 26 Ca -0.08 0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1jfq n SER 26 Cb 0.53 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 1jfq n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfq s GLN 27 N -3.33 1.11 0.02 4.33 -2.07 -1.26 -4.97 119.66 113.49 1jfq s GLN 27 Ca 0.04 -0.46 -0.37 0.00 -1.82 0.00 0.00 55.36 52.75 1jfq s GLN 27 Cb 0.09 0.50 -0.16 0.00 -1.09 0.00 0.00 33.01 32.35 1jfq s GLN 27 CO 0.40 -0.44 1.44 -3.47 -1.32 0.00 0.00 175.29 171.90 1jfq n ASP 28 N -0.02 1.91 -0.80 12.60 2.03 -1.26 -4.69 116.55 126.32 1jfq n ASP 28 Ca -0.17 1.11 0.08 0.00 0.52 0.00 0.00 54.79 56.32 1jfq n ASP 28 Cb 0.63 -1.20 0.16 0.00 -0.72 0.00 0.00 41.12 39.98 1jfq n ASP 28 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1jfq n ILE 29 N 3.01 0.59 -3.99 5.18 -0.00 -0.42 -4.99 119.36 118.74 1jfq n ILE 29 Ca 0.20 -0.80 -0.31 0.00 -0.00 0.00 0.00 62.75 61.84 1jfq n ILE 29 Cb 0.19 0.84 0.01 0.00 -0.00 0.00 0.00 39.64 40.68 1jfq n ILE 29 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1jfq n ASN 30 N 0.92 -4.10 0.00 4.38 3.02 -1.26 -2.10 115.26 116.13 1jfq n ASN 30 Ca 0.14 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1jfq n ASN 30 Cb 0.46 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 1jfq n ASN 30 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jfq n ASN 31 N -2.80 -0.76 -4.10 6.41 4.13 -1.26 -4.90 115.26 111.98 1jfq n ASN 31 Ca 0.03 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 1jfq n ASN 31 Cb 0.53 -1.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.08 1jfq n ASN 31 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1jfq n PHE 32 N -2.06 3.94 -4.32 3.10 0.99 -0.89 -2.84 117.46 115.37 1jfq n PHE 32 Ca 0.00 -2.96 -0.22 0.00 -0.00 0.00 0.00 57.45 54.27 1jfq n PHE 32 Cb 0.05 -2.40 -0.16 0.00 -1.00 0.00 0.00 39.48 35.96 1jfq n PHE 32 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 1jfq s LEU 33 N 2.19 1.45 0.25 4.37 1.98 -1.26 -0.56 118.68 127.09 1jfq s LEU 33 Ca 0.47 -0.20 0.12 0.00 -2.89 0.00 0.00 54.13 51.62 1jfq s LEU 33 Cb 0.08 -0.62 -0.05 0.00 0.66 0.00 0.00 46.19 46.26 1jfq s LEU 33 CO -0.01 -0.02 -0.20 0.20 -1.89 0.00 0.00 176.35 174.43 1jfq s ASN 34 N 0.85 3.62 -0.02 3.68 0.02 -0.66 -0.26 114.94 122.17 1jfq s ASN 34 Ca -0.12 -0.95 0.06 0.00 -1.02 0.00 0.00 52.86 50.84 1jfq s ASN 34 Cb -0.15 -0.33 -0.01 0.00 0.02 0.00 0.00 41.25 40.78 1jfq s ASN 34 CO 0.01 0.06 -0.21 0.26 0.02 0.00 0.00 177.10 177.25 1jfq s TRP 35 N -2.23 1.90 0.12 2.20 0.52 0.98 -1.27 118.94 121.17 1jfq s TRP 35 Ca 0.27 -0.40 0.10 0.00 0.02 0.00 0.00 56.10 56.08 1jfq s TRP 35 Cb -0.06 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1jfq s TRP 35 CO 0.14 -0.06 -0.23 0.71 0.02 0.00 0.00 176.95 177.52 1jfq s TYR 36 N -0.40 2.03 -0.14 -1.98 2.02 0.30 -0.88 117.35 118.31 1jfq s TYR 36 Ca 0.06 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1jfq s TYR 36 Cb -0.09 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 1jfq s TYR 36 CO -0.00 0.29 -0.18 -1.14 -1.57 0.00 0.00 175.55 172.95 1jfq s GLN 37 N -2.09 3.18 -0.30 -0.62 0.74 -0.45 -1.27 119.66 118.85 1jfq s GLN 37 Ca 0.11 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.69 1jfq s GLN 37 Cb -0.10 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.51 1jfq s GLN 37 CO 0.05 0.07 0.04 -1.14 -0.55 0.00 0.00 175.29 173.77 1jfq s GLN 38 N 0.66 2.73 0.69 1.67 0.74 0.18 -2.00 119.66 124.33 1jfq s GLN 38 Ca -0.09 -1.08 -0.13 0.00 0.05 0.00 0.00 55.36 54.11 1jfq s GLN 38 Cb -0.16 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.69 1jfq s GLN 38 CO 0.02 -0.55 1.08 0.15 -0.55 0.00 0.00 175.29 175.45 1jfq s LYS 39 N 1.37 2.76 0.47 1.67 -0.14 -0.54 -1.91 119.74 123.42 1jfq s LYS 39 Ca -0.01 1.18 0.19 0.00 -1.36 0.00 0.00 55.97 55.97 1jfq s LYS 39 Cb -0.18 -1.96 1.04 0.00 -1.68 0.00 0.00 37.83 35.04 1jfq s LYS 39 CO 0.00 -1.25 1.52 -1.00 -0.76 0.00 0.00 175.35 173.86 1jfq h PRO 40 N -0.44 0.00 -0.34 -1.68 0.13 -1.91 0.32 132.00 128.09 1jfq h PRO 40 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1jfq h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jfq h PRO 40 CO 0.54 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.91 1jfq n ASP 41 N -2.38 1.68 0.00 1.44 5.68 -1.26 -4.92 116.55 116.79 1jfq n ASP 41 Ca -0.01 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1jfq n ASP 41 Cb 0.36 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1jfq n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfq n GLY 42 N 0.92 2.56 3.80 6.12 0.00 0.11 -5.03 105.19 113.67 1jfq n GLY 42 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1jfq n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jfq s THR 43 N -2.17 3.88 0.04 2.61 -4.23 -1.26 -4.79 115.64 109.73 1jfq s THR 43 Ca 0.00 1.14 0.06 0.00 -1.18 0.00 0.00 61.69 61.71 1jfq s THR 43 Cb 0.00 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.35 1jfq s THR 43 CO 0.00 -0.28 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.12 1jfq s ILE 44 N -2.06 1.33 0.07 2.99 2.07 -1.26 -1.47 121.20 122.87 1jfq s ILE 44 Ca 0.66 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1jfq s ILE 44 Cb -0.15 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 1jfq s ILE 44 CO 0.21 0.10 -0.06 -0.54 -1.91 0.00 0.00 174.94 172.73 1jfq s LYS 45 N -1.11 0.65 0.12 3.50 1.02 -0.85 -4.98 119.74 118.08 1jfq s LYS 45 Ca 0.04 -1.06 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 1jfq s LYS 45 Cb -0.08 -0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.02 1jfq s LYS 45 CO 0.01 -0.01 0.89 -1.17 -0.92 0.00 0.00 175.35 174.15 1jfq s LEU 46 N -2.39 4.52 -0.11 3.17 0.20 -1.26 -1.34 118.68 121.46 1jfq s LEU 46 Ca 0.01 1.71 -0.12 0.00 0.69 0.00 0.00 54.13 56.42 1jfq s LEU 46 Cb -0.01 -3.46 -0.05 0.00 -0.43 0.00 0.00 46.19 42.24 1jfq s LEU 46 CO -0.03 0.01 -0.25 0.18 -0.29 0.00 0.00 176.35 175.97 1jfq n LEU 47 N 2.50 1.64 -4.02 -0.68 4.32 -0.06 -4.79 117.00 115.91 1jfq n LEU 47 Ca -0.00 0.27 -0.17 0.00 -0.02 0.00 0.00 56.01 56.08 1jfq n LEU 47 Cb 0.49 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.54 1jfq n LEU 47 CO 0.49 -0.27 -0.42 -0.63 -1.22 0.00 0.00 177.39 175.34 1jfq s ILE 48 N -2.59 0.64 0.13 -0.08 -1.09 -1.19 -1.42 121.20 115.60 1jfq s ILE 48 Ca -0.22 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.75 1jfq s ILE 48 Cb 0.04 -0.57 -0.04 0.00 -1.58 0.00 0.00 42.46 40.31 1jfq s ILE 48 CO 0.31 0.07 -0.10 -0.72 -1.23 0.00 0.00 174.94 173.26 1jfq s TYR 49 N -0.42 1.22 -1.33 3.97 1.13 0.71 -0.01 117.35 122.62 1jfq s TYR 49 Ca 0.01 -0.72 -0.01 0.00 -1.41 0.00 0.00 57.07 54.94 1jfq s TYR 49 Cb -0.04 -0.63 0.00 0.00 -1.10 0.00 0.00 41.96 40.19 1jfq s TYR 49 CO -0.00 0.06 0.68 0.34 -2.51 0.00 0.00 175.55 174.12 1jfq n PHE 50 N 0.04 -1.90 0.00 -3.49 7.35 -0.88 -0.45 117.46 118.13 1jfq n PHE 50 Ca -0.12 0.83 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 1jfq n PHE 50 Cb 0.60 -4.30 0.00 0.00 0.35 0.00 0.00 39.48 36.13 1jfq n PHE 50 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1jfq n THR 51 N -4.31 0.00 -0.95 -2.13 -1.04 0.64 -3.88 114.28 102.61 1jfq n THR 51 Ca -0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1jfq n THR 51 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1jfq n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jfq n SER 52 N 1.29 0.10 -4.71 8.00 3.41 -1.15 -3.66 113.62 116.90 1jfq n SER 52 Ca 0.00 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 1jfq n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1jfq n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jfq s ARG 53 N -0.04 4.48 0.02 4.33 3.00 0.41 -4.62 118.95 126.53 1jfq s ARG 53 Ca 0.00 1.10 -0.22 0.00 0.00 0.00 0.00 55.73 56.61 1jfq s ARG 53 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 34.95 31.44 1jfq s ARG 53 CO 0.00 0.00 0.66 0.45 0.00 0.00 0.00 175.30 176.42 1jfq s SER 54 N 0.90 7.08 0.36 0.23 0.15 -1.26 -0.20 113.70 120.95 1jfq s SER 54 Ca 0.43 1.29 -0.25 0.00 0.70 0.00 0.00 55.95 58.13 1jfq s SER 54 Cb -0.19 -2.41 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 1jfq s SER 54 CO 0.22 0.08 0.97 -1.58 1.20 0.00 0.00 173.24 174.13 1jfq s GLN 55 N -0.22 4.43 0.37 5.44 2.00 -0.50 -4.92 119.66 126.26 1jfq s GLN 55 Ca 0.34 1.34 -0.26 0.00 -2.00 0.00 0.00 55.36 54.79 1jfq s GLN 55 Cb -0.19 -2.65 -0.12 0.00 0.80 0.00 0.00 33.01 30.85 1jfq s GLN 55 CO 0.20 0.13 1.00 0.45 -0.50 0.00 0.00 175.29 176.57 1jfq n SER 56 N 0.23 1.26 0.00 6.67 2.88 -1.26 -2.33 113.62 121.07 1jfq n SER 56 Ca 0.03 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1jfq n SER 56 Cb 0.51 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1jfq n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jfq n GLY 57 N 1.20 0.94 3.87 0.46 0.00 -1.26 -5.04 105.19 105.37 1jfq n GLY 57 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1jfq n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jfq s VAL 58 N -3.77 5.38 0.27 1.61 -7.23 -0.98 -5.06 120.40 110.62 1jfq s VAL 58 Ca 0.00 0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 59.95 1jfq s VAL 58 Cb 0.00 -3.39 -0.15 0.00 0.56 0.00 0.00 36.38 33.41 1jfq s VAL 58 CO 0.00 0.54 0.94 -2.65 -0.31 0.00 0.00 175.10 173.62 1jfq n PRO 59 N 1.70 1.13 0.00 4.82 -0.02 -1.26 -4.88 135.00 136.49 1jfq n PRO 59 Ca -0.17 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 1jfq n PRO 59 Cb 0.54 -1.71 0.46 0.00 -0.02 0.00 0.00 33.50 32.77 1jfq n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jfq n SER 60 N 1.38 0.00 -0.04 2.55 3.41 -1.26 -2.62 113.62 117.04 1jfq n SER 60 Ca 0.11 -0.36 0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1jfq n SER 60 Cb 0.30 -0.07 0.61 0.00 -0.26 0.00 0.00 64.21 64.80 1jfq n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1jfq n ARG 61 N -1.07 0.37 -3.64 4.33 1.85 -1.26 -4.75 116.66 112.49 1jfq n ARG 61 Ca 0.11 -0.08 -0.36 0.00 -1.00 0.00 0.00 57.85 56.51 1jfq n ARG 61 Cb 0.07 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 29.91 1jfq n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1jfq s PHE 62 N -2.69 3.50 0.07 2.89 0.40 -1.08 -0.52 117.98 120.55 1jfq s PHE 62 Ca 0.23 0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 57.03 1jfq s PHE 62 Cb 0.20 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.50 1jfq s PHE 62 CO 0.51 0.38 0.20 -1.54 0.70 0.00 0.00 175.22 175.47 1jfq s SER 63 N 0.04 0.07 0.07 1.36 1.04 -0.69 -5.00 113.70 110.58 1jfq s SER 63 Ca 0.15 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1jfq s SER 63 Cb -0.13 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1jfq s SER 63 CO 0.03 -0.66 -0.04 -0.83 0.98 0.00 0.00 173.24 172.72 1jfq s GLY 64 N -2.53 0.58 0.28 7.32 0.00 -1.26 -1.04 107.32 110.66 1jfq s GLY 64 Ca 0.01 -1.25 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 1jfq s GLY 64 CO -0.08 -1.36 0.53 -1.14 0.00 0.00 0.00 173.10 171.05 1jfq n SER 65 N 0.08 -1.53 0.00 1.64 3.41 -0.22 -4.33 113.62 112.68 1jfq n SER 65 Ca -0.13 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1jfq n SER 65 Cb 0.61 2.57 0.00 0.00 -0.26 0.00 0.00 64.21 67.13 1jfq n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfq n GLY 66 N -0.39 1.78 3.66 5.00 0.00 -1.26 -1.51 105.19 112.48 1jfq n GLY 66 Ca -0.05 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 1jfq n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jfq s SER 67 N 0.00 -0.29 1.31 1.61 1.04 -0.28 -4.92 113.70 112.18 1jfq s SER 67 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1jfq s SER 67 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1jfq s SER 67 CO 0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1jfq n GLY 68 N -0.40 1.37 0.06 7.32 0.00 -1.26 -1.48 105.19 110.81 1jfq n GLY 68 Ca -0.08 0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1jfq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jfq n THR 69 N 0.00 0.58 -4.25 2.61 -2.24 -1.26 -1.30 114.28 108.42 1jfq n THR 69 Ca 0.00 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.70 1jfq n THR 69 Cb 0.00 0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 68.78 1jfq n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jfq s ASP 70 N -0.62 2.45 0.05 3.42 1.01 -0.55 -1.24 116.67 121.19 1jfq s ASP 70 Ca 0.02 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 52.86 1jfq s ASP 70 Cb 0.01 -1.07 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 1jfq s ASP 70 CO 0.02 -0.02 -0.04 -0.31 0.21 0.00 0.00 175.17 175.02 1jfq s TYR 71 N 1.22 0.57 0.03 4.23 1.51 -0.60 -1.13 117.35 123.19 1jfq s TYR 71 Ca -0.02 -0.88 -0.08 0.00 -1.01 0.00 0.00 57.07 55.09 1jfq s TYR 71 Cb -0.14 -0.38 -0.00 0.00 -0.11 0.00 0.00 41.96 41.33 1jfq s TYR 71 CO -0.05 -0.27 0.15 -1.54 -1.11 0.00 0.00 175.55 172.73 1jfq s SER 72 N -2.55 0.09 -0.13 2.29 1.04 -0.57 -0.63 113.70 113.24 1jfq s SER 72 Ca 0.02 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.08 1jfq s SER 72 Cb 0.02 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1jfq s SER 72 CO -0.06 -0.50 -0.22 -0.22 0.98 0.00 0.00 173.24 173.22 1jfq s LEU 73 N -1.95 2.08 -0.07 2.42 2.96 0.24 -1.06 118.68 123.30 1jfq s LEU 73 Ca -0.07 -0.58 0.04 0.00 -0.22 0.00 0.00 54.13 53.30 1jfq s LEU 73 Cb -0.02 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.26 1jfq s LEU 73 CO -0.03 0.09 -0.20 0.28 -1.32 0.00 0.00 176.35 175.18 1jfq s THR 74 N 0.72 1.67 -0.28 3.68 -1.32 -0.21 0.25 115.64 120.15 1jfq s THR 74 Ca -0.10 -0.82 -0.12 0.00 -1.21 0.00 0.00 61.69 59.44 1jfq s THR 74 Cb -0.16 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.34 1jfq s THR 74 CO 0.01 0.47 0.26 -0.63 -2.21 0.00 0.00 174.62 172.51 1jfq s ILE 75 N 0.20 5.26 0.21 5.08 1.01 0.12 -1.70 121.20 131.38 1jfq s ILE 75 Ca -0.10 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.83 1jfq s ILE 75 Cb -0.15 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 1jfq s ILE 75 CO 0.05 0.21 1.58 0.77 0.00 0.00 0.00 174.94 177.55 1jfq h SER 76 N 8.30 0.69 -2.03 3.58 4.64 -1.07 0.74 113.55 128.40 1jfq h SER 76 Ca -0.34 -0.30 -0.25 0.00 -0.47 0.00 0.00 61.79 60.44 1jfq h SER 76 Cb 1.18 -0.19 -0.31 0.00 -0.31 0.00 0.00 62.40 62.76 1jfq h SER 76 CO 0.58 0.99 -0.57 0.54 -0.87 0.00 0.00 176.83 177.50 1jfq s ASN 77 N -6.84 0.94 0.00 4.97 2.20 -1.24 -3.96 114.94 111.02 1jfq s ASN 77 Ca -0.08 -0.33 -0.35 0.00 -0.94 0.00 0.00 52.86 51.16 1jfq s ASN 77 Cb 0.12 0.80 -0.14 0.00 -2.00 0.00 0.00 41.25 40.03 1jfq s ASN 77 CO 0.83 -0.35 1.67 -0.11 -2.94 0.00 0.00 177.10 176.21 1jfq n LEU 78 N 5.34 2.90 -4.79 3.54 7.94 0.58 -4.71 117.00 127.79 1jfq n LEU 78 Ca -0.02 1.05 -0.22 0.00 -1.11 0.00 0.00 56.01 55.70 1jfq n LEU 78 Cb 0.49 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.05 1jfq n LEU 78 CO 0.02 -0.34 -0.15 -1.61 -1.11 0.00 0.00 177.39 174.20 1jfq s GLU 79 N 2.33 2.58 0.22 1.96 0.41 -1.26 -1.32 118.70 123.62 1jfq s GLU 79 Ca 0.87 -1.38 -0.07 0.00 -0.41 0.00 0.00 54.97 53.99 1jfq s GLU 79 Cb -0.78 -2.35 0.18 0.00 -1.78 0.00 0.00 34.13 29.40 1jfq s GLU 79 CO 0.48 0.15 1.78 1.96 -0.49 0.00 0.00 175.26 179.14 1jfq h GLN 80 N 1.42 1.17 0.00 1.61 4.20 -2.01 -1.96 115.11 119.55 1jfq h GLN 80 Ca -0.45 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.05 1jfq h GLN 80 Cb 1.25 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1jfq h GLN 80 CO 0.61 0.95 0.00 -0.85 -0.67 0.00 0.00 178.83 178.87 1jfq n GLU 81 N -4.27 0.10 0.00 1.46 0.28 -1.26 -1.67 120.64 115.27 1jfq n GLU 81 Ca 0.07 0.52 0.15 0.00 -0.16 0.00 0.00 57.16 57.74 1jfq n GLU 81 Cb 0.19 -1.77 0.73 0.00 1.43 0.00 0.00 31.44 32.03 1jfq n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1jfq n ASP 82 N -1.96 0.24 -4.60 -1.84 8.00 -0.74 -4.74 116.55 110.91 1jfq n ASP 82 Ca 0.00 -0.55 -0.43 0.00 0.71 0.00 0.00 54.79 54.52 1jfq n ASP 82 Cb 0.07 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1jfq n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jfq s ILE 83 N -2.39 3.60 0.09 0.53 -1.09 -0.67 -4.85 121.20 116.43 1jfq s ILE 83 Ca 0.33 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 59.28 1jfq s ILE 83 Cb 0.21 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1jfq s ILE 83 CO 0.44 -0.47 0.44 0.00 -1.23 0.00 0.00 174.94 174.13 1jfq n ALA 84 N 9.67 -1.13 -3.14 9.38 0.00 -1.26 -4.43 120.51 129.60 1jfq n ALA 84 Ca 0.21 -0.47 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 1jfq n ALA 84 Cb 0.47 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 1jfq n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jfq s THR 85 N -2.38 3.34 -0.10 0.00 2.01 -0.80 -1.00 115.64 116.71 1jfq s THR 85 Ca 0.10 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 1jfq s THR 85 Cb -0.01 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1jfq s THR 85 CO 0.03 0.50 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.07 1jfq s TYR 86 N 0.59 2.93 -0.07 4.92 2.02 0.10 0.52 117.35 128.37 1jfq s TYR 86 Ca -0.05 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1jfq s TYR 86 Cb -0.15 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 1jfq s TYR 86 CO 0.03 0.16 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.94 1jfq s PHE 87 N -0.35 1.82 0.26 2.71 0.08 -0.40 0.11 117.98 122.21 1jfq s PHE 87 Ca 0.05 -0.64 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 1jfq s PHE 87 Cb -0.12 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1jfq s PHE 87 CO 0.02 -0.27 0.50 0.00 -0.10 0.00 0.00 175.22 175.37 1jfq s GLN 89 N -3.45 0.04 -0.13 0.00 -0.44 -0.40 -0.57 119.66 114.72 1jfq s GLN 89 Ca 0.42 0.08 -0.11 0.00 -2.50 0.00 0.00 55.36 53.26 1jfq s GLN 89 Cb -0.11 -0.02 -0.05 0.00 -1.64 0.00 0.00 33.01 31.19 1jfq s GLN 89 CO 0.29 -0.03 0.23 1.14 0.50 0.00 0.00 175.29 177.42 1jfq s GLN 90 N 0.20 3.89 -0.23 1.67 1.03 -0.63 -1.65 119.66 123.93 1jfq s GLN 90 Ca -0.02 0.01 0.10 0.00 0.04 0.00 0.00 55.36 55.49 1jfq s GLN 90 Cb -0.02 -3.30 0.43 0.00 0.03 0.00 0.00 33.01 30.15 1jfq s GLN 90 CO -0.01 0.53 1.21 0.41 -2.54 0.00 0.00 175.29 174.89 1jfq n GLY 91 N 2.63 5.52 0.10 2.60 0.00 0.27 -3.96 105.19 112.35 1jfq n GLY 91 Ca -0.16 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1jfq n GLY 91 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jfq h ASN 92 N 1.35 0.23 -5.15 1.61 -1.24 -1.81 -3.47 115.58 107.10 1jfq h ASN 92 Ca 0.11 -0.39 -0.02 0.00 0.71 0.00 0.00 56.30 56.70 1jfq h ASN 92 Cb 1.16 -0.08 -0.09 0.00 0.73 0.00 0.00 38.32 40.05 1jfq h ASN 92 CO 0.22 1.34 -0.02 0.00 -1.29 0.00 0.00 177.43 177.69 1jfq s ALA 93 N -2.61 -0.62 0.09 1.57 0.00 -1.26 -5.12 121.76 113.82 1jfq s ALA 93 Ca -0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 1jfq s ALA 93 Cb 0.07 0.96 -0.06 0.00 0.00 0.00 0.00 23.12 24.09 1jfq s ALA 93 CO 0.83 -0.87 0.42 -0.51 0.00 0.00 0.00 175.76 175.62 1jfq s LEU 94 N -2.96 4.34 0.53 0.00 1.43 -1.26 -3.88 118.68 116.89 1jfq s LEU 94 Ca 0.16 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 1jfq s LEU 94 Cb -0.02 -3.03 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 1jfq s LEU 94 CO 0.05 0.16 1.01 -2.16 0.23 0.00 0.00 176.35 175.64 1jfq s PRO 95 N -1.93 3.75 0.31 1.29 0.04 -1.26 -4.93 135.00 132.27 1jfq s PRO 95 Ca 0.34 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1jfq s PRO 95 Cb -0.14 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 1jfq s PRO 95 CO 0.18 -0.45 1.41 1.03 0.04 0.00 0.00 177.00 179.21 1jfq s ARG 96 N -3.92 4.26 0.07 4.56 1.81 -1.25 -4.76 118.95 119.71 1jfq s ARG 96 Ca 0.61 2.34 0.05 0.00 -1.72 0.00 0.00 55.73 57.02 1jfq s ARG 96 Cb -0.12 -3.06 -0.03 0.00 -0.45 0.00 0.00 34.95 31.29 1jfq s ARG 96 CO 0.31 -0.37 -0.14 0.95 -0.68 0.00 0.00 175.30 175.37 1jfq s THR 97 N -0.70 1.10 0.26 0.02 -4.23 -1.25 -5.02 115.64 105.82 1jfq s THR 97 Ca 0.54 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 59.84 1jfq s THR 97 Cb -0.42 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.30 1jfq s THR 97 CO 0.52 -0.24 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.92 1jfq s PHE 98 N -1.32 2.55 0.80 3.99 0.08 -1.26 -1.61 117.98 121.21 1jfq s PHE 98 Ca -0.02 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.65 1jfq s PHE 98 Cb -0.10 -1.14 0.07 0.00 -0.57 0.00 0.00 43.02 41.29 1jfq s PHE 98 CO 0.02 0.64 1.14 0.20 -0.10 0.00 0.00 175.22 177.12 1jfq s GLY 99 N -3.52 1.60 0.37 4.36 0.00 0.27 -4.56 107.32 105.84 1jfq s GLY 99 Ca 0.30 -0.50 0.27 0.00 0.00 0.00 0.00 44.72 44.80 1jfq s GLY 99 CO 0.18 -0.03 1.83 -1.33 0.00 0.00 0.00 173.10 173.74 1jfq h GLY 100 N -1.04 0.00 0.00 0.20 0.00 -1.91 -3.44 103.07 96.88 1jfq h GLY 100 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1jfq h GLY 100 CO 0.64 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.79 1jfq n GLY 101 N -0.32 1.51 3.05 4.60 0.00 -1.26 -5.05 105.19 107.72 1jfq n GLY 101 Ca 0.01 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 1jfq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jfq s THR 102 N -1.91 1.57 -0.12 2.61 2.01 0.12 -4.68 115.64 115.23 1jfq s THR 102 Ca 0.00 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.29 1jfq s THR 102 Cb 0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1jfq s THR 102 CO 0.00 0.46 0.09 -0.75 -0.69 0.00 0.00 174.62 173.73 1jfq s LYS 103 N 1.21 3.42 0.16 4.92 2.47 -0.85 0.02 119.74 131.09 1jfq s LYS 103 Ca -0.01 -0.24 0.05 0.00 -1.56 0.00 0.00 55.97 54.21 1jfq s LYS 103 Cb -0.14 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 1jfq s LYS 103 CO -0.06 0.66 0.12 -0.51 0.16 0.00 0.00 175.35 175.73 1jfq s LEU 104 N -0.73 3.76 0.04 5.43 1.02 -0.17 -0.66 118.68 127.37 1jfq s LEU 104 Ca 0.13 -0.14 -0.09 0.00 0.02 0.00 0.00 54.13 54.04 1jfq s LEU 104 Cb -0.12 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.72 1jfq s LEU 104 CO 0.03 0.08 0.19 -1.83 0.02 0.00 0.00 176.35 174.84 1jfq s GLU 105 N -3.03 0.68 0.03 1.70 -1.05 -0.33 -4.41 118.70 112.28 1jfq s GLU 105 Ca 0.30 -0.61 -0.26 0.00 -0.15 0.00 0.00 54.97 54.25 1jfq s GLU 105 Cb -0.10 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1jfq s GLU 105 CO 0.23 -0.19 0.81 0.42 0.95 0.00 0.00 175.26 177.47 1jfq s ILE 106 N -2.48 4.78 0.01 1.83 1.01 -1.26 -2.17 121.20 122.92 1jfq s ILE 106 Ca -0.06 1.71 -0.24 0.00 0.00 0.00 0.00 60.65 62.07 1jfq s ILE 106 Cb -0.01 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1jfq s ILE 106 CO -0.03 0.31 0.71 -0.75 0.00 0.00 0.00 174.94 175.17 1jfq s LYS 107 N 0.27 4.44 0.31 2.79 2.20 0.60 -4.81 119.74 125.53 1jfq s LYS 107 Ca 0.41 0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1jfq s LYS 107 Cb -0.20 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1jfq s LYS 107 CO 0.24 0.26 0.36 -0.98 -0.36 0.00 0.00 175.35 174.87 1jfq s ARG 108 N 0.09 1.71 0.54 4.03 1.70 -1.26 -4.61 118.95 121.15 1jfq s ARG 108 Ca 0.37 -1.76 -0.20 0.00 -0.47 0.00 0.00 55.73 53.66 1jfq s ARG 108 Cb -0.19 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.51 1jfq s ARG 108 CO 0.21 -0.67 1.15 0.00 -1.08 0.00 0.00 175.30 174.91 1jfq s ALA 109 N -3.44 2.73 0.90 7.88 0.00 -1.26 -4.97 121.76 123.59 1jfq s ALA 109 Ca 0.34 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1jfq s ALA 109 Cb 0.02 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.87 1jfq s ALA 109 CO 0.20 -0.82 1.05 -0.25 0.00 0.00 0.00 175.76 175.94 1jfq n ASP 110 N -1.19 0.15 -3.65 0.00 9.92 -1.26 -4.81 116.55 115.71 1jfq n ASP 110 Ca 0.11 0.45 -0.04 0.00 -0.53 0.00 0.00 54.79 54.78 1jfq n ASP 110 Cb 0.50 -1.45 -0.06 0.00 -0.64 0.00 0.00 41.12 39.48 1jfq n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jfq s ALA 111 N -2.49 -1.77 0.26 2.24 0.00 0.62 -4.87 121.76 115.75 1jfq s ALA 111 Ca 0.67 2.10 -0.29 0.00 0.00 0.00 0.00 51.96 54.43 1jfq s ALA 111 Cb -0.24 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 1jfq s ALA 111 CO 0.58 -0.84 1.18 0.00 0.00 0.00 0.00 175.76 176.68 1jfq s ALA 112 N 2.74 3.44 0.48 0.00 0.00 -1.26 -1.19 121.76 125.97 1jfq s ALA 112 Ca -0.05 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 52.69 1jfq s ALA 112 Cb -0.12 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1jfq s ALA 112 CO -0.17 -0.34 1.21 -1.25 0.00 0.00 0.00 175.76 175.20 1jfq s PRO 113 N -1.11 3.62 -0.38 0.00 0.04 -1.26 -4.68 135.00 131.23 1jfq s PRO 113 Ca 0.48 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 1jfq s PRO 113 Cb -0.34 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.83 1jfq s PRO 113 CO 0.42 -0.70 0.32 0.99 0.04 0.00 0.00 177.00 178.07 1jfq s THR 114 N -1.49 5.22 -0.14 1.26 2.01 -0.47 -4.85 115.64 117.19 1jfq s THR 114 Ca 0.65 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 62.18 1jfq s THR 114 Cb -0.31 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1jfq s THR 114 CO 0.38 -0.22 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1jfq s VAL 115 N 1.83 5.40 0.00 3.82 1.01 -1.26 -0.29 120.40 130.92 1jfq s VAL 115 Ca 0.08 0.31 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 1jfq s VAL 115 Cb -0.18 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1jfq s VAL 115 CO 0.11 0.52 -0.00 -0.94 0.00 0.00 0.00 175.10 174.79 1jfq s SER 116 N -0.33 0.05 0.06 3.32 1.04 0.38 -4.97 113.70 113.25 1jfq s SER 116 Ca 0.14 -0.10 0.09 0.00 0.48 0.00 0.00 55.95 56.56 1jfq s SER 116 Cb -0.12 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 1jfq s SER 116 CO 0.03 -0.06 -0.24 -0.51 0.98 0.00 0.00 173.24 173.43 1jfq s ILE 117 N -0.31 2.34 -0.08 -1.02 2.07 -1.26 -0.53 121.20 122.41 1jfq s ILE 117 Ca -0.03 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.79 1jfq s ILE 117 Cb -0.02 -1.96 0.02 0.00 0.13 0.00 0.00 42.46 40.63 1jfq s ILE 117 CO -0.00 0.29 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.90 1jfq s PHE 118 N -0.90 1.14 0.76 3.50 0.08 0.94 -5.00 117.98 118.51 1jfq s PHE 118 Ca 0.13 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1jfq s PHE 118 Cb -0.10 -0.98 0.05 0.00 -0.57 0.00 0.00 43.02 41.42 1jfq s PHE 118 CO 0.04 -0.35 1.13 -2.14 -0.10 0.00 0.00 175.22 173.79 1jfq s PRO 119 N 1.37 2.15 0.43 0.24 0.02 -1.26 -2.14 135.00 135.81 1jfq s PRO 119 Ca -0.03 1.42 -0.26 0.00 0.02 0.00 0.00 61.00 62.15 1jfq s PRO 119 Cb -0.14 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 1jfq s PRO 119 CO -0.03 -1.76 1.41 -1.25 -0.33 0.00 0.00 177.00 175.04 1jfq s PRO 120 N -4.43 3.83 0.58 5.54 0.04 -1.23 -4.85 135.00 134.48 1jfq s PRO 120 Ca 0.66 2.38 -0.17 0.00 0.04 0.00 0.00 61.00 63.91 1jfq s PRO 120 Cb -0.21 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1jfq s PRO 120 CO 0.50 -0.69 1.08 -1.54 0.04 0.00 0.00 177.00 176.40 1jfq s SER 121 N -0.50 5.72 0.48 6.66 1.04 -1.26 -4.91 113.70 120.93 1jfq s SER 121 Ca 0.58 1.96 0.24 0.00 0.48 0.00 0.00 55.95 59.22 1jfq s SER 121 Cb -0.43 -2.55 1.21 0.00 0.10 0.00 0.00 66.02 64.35 1jfq s SER 121 CO 0.56 -1.21 1.97 0.77 0.98 0.00 0.00 173.24 176.31 1jfq h SER 122 N 0.73 0.00 -0.28 7.02 4.64 -1.99 -2.25 113.55 121.41 1jfq h SER 122 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1jfq h SER 122 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1jfq h SER 122 CO 0.57 0.18 0.13 -0.33 -0.87 0.00 0.00 176.83 176.51 1jfq h GLU 123 N 0.00 0.41 -0.53 4.77 5.08 -1.99 -2.04 114.58 120.27 1jfq h GLU 123 Ca -0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1jfq h GLU 123 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1jfq h GLU 123 CO 0.02 0.40 0.14 0.37 -1.00 0.00 0.00 179.01 178.95 1jfq h GLN 124 N 0.32 0.84 -0.36 2.33 4.15 -1.74 -2.48 115.11 118.16 1jfq h GLN 124 Ca 0.10 -0.20 0.06 0.00 0.77 0.00 0.00 58.65 59.38 1jfq h GLN 124 Cb 0.13 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1jfq h GLN 124 CO -0.01 0.79 0.25 -0.07 -1.93 0.00 0.00 178.83 177.86 1jfq h LEU 125 N 0.74 0.22 -1.65 -2.39 3.38 -1.18 -0.78 115.31 113.66 1jfq h LEU 125 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1jfq h LEU 125 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jfq h LEU 125 CO -0.00 0.15 -0.20 0.74 0.09 0.00 0.00 178.44 179.22 1jfq h THR 126 N 0.26 0.95 -0.03 0.22 2.02 -0.89 -1.40 112.91 114.05 1jfq h THR 126 Ca 0.16 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.60 1jfq h THR 126 Cb 0.31 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1jfq h THR 126 CO -0.03 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.52 1jfq n SER 127 N -4.02 0.87 0.00 4.18 3.41 -0.31 -4.91 113.62 112.84 1jfq n SER 127 Ca -0.02 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1jfq n SER 127 Cb 0.28 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1jfq n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfq n GLY 128 N 1.07 0.50 3.66 5.00 0.00 -0.53 -5.04 105.19 109.86 1jfq n GLY 128 Ca 0.20 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1jfq n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jfq s GLY 129 N -2.19 1.99 -0.26 -0.02 0.00 -1.15 -1.25 107.32 104.44 1jfq s GLY 129 Ca 0.00 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 42.81 1jfq s GLY 129 CO 0.00 -1.84 0.44 0.00 0.00 0.00 0.00 173.10 171.71 1jfq s ALA 130 N -2.47 -1.41 -0.17 3.20 0.00 -0.23 -3.28 121.76 117.40 1jfq s ALA 130 Ca 0.35 1.23 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 1jfq s ALA 130 Cb -0.02 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1jfq s ALA 130 CO 0.20 -1.23 -0.10 -1.12 0.00 0.00 0.00 175.76 173.52 1jfq s SER 131 N 2.64 4.07 -0.21 0.00 0.01 -1.26 -0.73 113.70 118.22 1jfq s SER 131 Ca 0.13 -0.38 -0.08 0.00 1.31 0.00 0.00 55.95 56.93 1jfq s SER 131 Cb -0.15 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 1jfq s SER 131 CO -0.17 0.07 0.08 -0.69 0.41 0.00 0.00 173.24 172.94 1jfq s VAL 132 N 0.93 4.74 0.00 3.43 1.01 0.20 -3.48 120.40 127.23 1jfq s VAL 132 Ca -0.02 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1jfq s VAL 132 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1jfq s VAL 132 CO -0.00 0.41 -0.21 -0.69 0.00 0.00 0.00 175.10 174.60 1jfq s VAL 133 N 0.83 2.54 -0.07 2.92 1.01 -0.91 -0.51 120.40 126.22 1jfq s VAL 133 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1jfq s VAL 133 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1jfq s VAL 133 CO 0.02 0.46 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 1jfq s PHE 135 N 1.37 3.30 -0.33 0.00 2.99 0.31 -1.41 117.98 124.20 1jfq s PHE 135 Ca -0.04 0.29 0.01 0.00 0.00 0.00 0.00 56.93 57.19 1jfq s PHE 135 Cb -0.13 -1.83 0.10 0.00 0.00 0.00 0.00 43.02 41.16 1jfq s PHE 135 CO -0.03 0.56 0.11 -0.51 -0.00 0.00 0.00 175.22 175.35 1jfq s LEU 136 N -1.03 2.85 -0.03 -0.37 1.02 0.05 -0.47 118.68 120.70 1jfq s LEU 136 Ca 0.15 -1.88 0.01 0.00 0.02 0.00 0.00 54.13 52.42 1jfq s LEU 136 Cb -0.12 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.01 1jfq s LEU 136 CO 0.04 -0.39 -0.01 0.20 0.02 0.00 0.00 176.35 176.22 1jfq s ASN 137 N 1.29 5.09 -0.96 2.29 0.01 0.60 -0.78 114.94 122.48 1jfq s ASN 137 Ca 0.11 0.03 -0.07 0.00 -0.71 0.00 0.00 52.86 52.22 1jfq s ASN 137 Cb -0.19 -1.35 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 1jfq s ASN 137 CO -0.18 0.32 0.80 0.59 -1.51 0.00 0.00 177.10 177.11 1jfq n ASN 138 N 1.68 -6.60 -4.45 -1.22 4.13 -0.90 -1.36 115.26 106.54 1jfq n ASN 138 Ca -0.16 -0.60 -0.23 0.00 1.68 0.00 0.00 54.58 55.28 1jfq n ASN 138 Cb 0.53 -4.59 -0.10 0.00 -1.54 0.00 0.00 39.78 34.08 1jfq n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1jfq s PHE 139 N -3.26 2.13 -0.21 3.10 -0.12 0.32 -4.50 117.98 115.44 1jfq s PHE 139 Ca 0.29 -0.46 -0.14 0.00 -0.05 0.00 0.00 56.93 56.57 1jfq s PHE 139 Cb -0.06 -1.03 0.06 0.00 -0.63 0.00 0.00 43.02 41.36 1jfq s PHE 139 CO 0.78 0.56 0.53 -0.47 -0.05 0.00 0.00 175.22 176.57 1jfq s TYR 140 N -2.70 -0.74 1.12 3.49 6.14 -0.33 -0.42 117.35 123.91 1jfq s TYR 140 Ca 0.29 1.59 -0.16 0.00 0.64 0.00 0.00 57.07 59.43 1jfq s TYR 140 Cb -0.02 0.36 0.25 0.00 0.42 0.00 0.00 41.96 42.97 1jfq s TYR 140 CO 0.13 -0.38 1.10 -2.14 0.64 0.00 0.00 175.55 174.89 1jfq s PRO 141 N 1.17 -0.52 0.28 4.97 0.02 -1.26 -0.28 135.00 139.38 1jfq s PRO 141 Ca -0.07 0.22 -0.01 0.00 0.02 0.00 0.00 61.00 61.16 1jfq s PRO 141 Cb -0.06 -1.65 0.41 0.00 0.02 0.00 0.00 34.50 33.22 1jfq s PRO 141 CO -0.11 -3.31 1.81 -0.22 -0.33 0.00 0.00 177.00 174.85 1jfq h LYS 142 N -2.30 0.77 -6.40 5.54 3.64 -1.98 -3.43 116.57 112.42 1jfq h LYS 142 Ca -0.50 -0.17 -0.55 0.00 -1.27 0.00 0.00 60.65 58.16 1jfq h LYS 142 Cb 1.32 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1jfq h LYS 142 CO 0.46 0.73 1.15 -0.25 -2.27 0.00 0.00 179.45 179.27 1jfq n ASP 143 N -4.26 3.97 -3.68 4.20 8.00 -1.26 -4.96 116.55 118.56 1jfq n ASP 143 Ca 0.03 0.95 -0.14 0.00 0.71 0.00 0.00 54.79 56.34 1jfq n ASP 143 Cb 0.25 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.77 1jfq n ASP 143 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1jfq s ILE 144 N 3.67 0.05 -0.11 0.53 2.07 -1.26 -4.61 121.20 121.53 1jfq s ILE 144 Ca 0.87 -0.39 0.02 0.00 -1.41 0.00 0.00 60.65 59.74 1jfq s ILE 144 Cb -0.50 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.30 1jfq s ILE 144 CO 0.42 -0.21 -0.16 0.21 -1.91 0.00 0.00 174.94 173.28 1jfq s ASN 145 N -1.54 2.52 -0.09 4.50 3.84 0.14 -4.96 114.94 119.36 1jfq s ASN 145 Ca -0.10 -0.45 0.04 0.00 0.21 0.00 0.00 52.86 52.56 1jfq s ASN 145 Cb -0.03 -1.14 -0.00 0.00 -0.55 0.00 0.00 41.25 39.53 1jfq s ASN 145 CO 0.03 0.03 -0.24 -0.69 -2.79 0.00 0.00 177.10 173.44 1jfq s VAL 146 N 0.92 2.04 0.03 -5.21 1.01 -1.26 -0.21 120.40 117.72 1jfq s VAL 146 Ca -0.08 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.93 1jfq s VAL 146 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1jfq s VAL 146 CO -0.01 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.76 1jfq s LYS 147 N 0.22 0.99 -0.01 2.72 2.20 -0.04 -4.98 119.74 120.85 1jfq s LYS 147 Ca -0.15 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 1jfq s LYS 147 Cb -0.17 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.12 1jfq s LYS 147 CO 0.08 0.25 -0.06 -1.58 -0.36 0.00 0.00 175.35 173.67 1jfq s TRP 148 N -0.74 2.90 -0.01 4.03 0.52 -1.26 -0.69 118.94 123.70 1jfq s TRP 148 Ca 0.03 -0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.14 1jfq s TRP 148 Cb -0.07 -1.62 -0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1jfq s TRP 148 CO 0.01 0.37 -0.07 0.15 0.02 0.00 0.00 176.95 177.43 1jfq s LYS 149 N -1.35 0.57 -0.18 4.98 1.02 -0.76 0.14 119.74 124.16 1jfq s LYS 149 Ca 0.17 -0.24 -0.00 0.00 0.02 0.00 0.00 55.97 55.91 1jfq s LYS 149 Cb -0.11 -0.55 0.04 0.00 -0.52 0.00 0.00 37.83 36.69 1jfq s LYS 149 CO 0.07 0.14 -0.06 0.42 -0.92 0.00 0.00 175.35 175.00 1jfq s ILE 150 N -0.13 1.26 -1.66 2.17 1.01 0.24 -1.26 121.20 122.83 1jfq s ILE 150 Ca 0.02 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1jfq s ILE 150 Cb -0.03 -1.42 0.13 0.00 0.01 0.00 0.00 42.46 41.15 1jfq s ILE 150 CO -0.00 0.12 0.76 0.47 0.00 0.00 0.00 174.94 176.29 1jfq n ASP 151 N 4.82 -3.07 0.00 3.58 8.00 -0.94 -1.01 116.55 127.92 1jfq n ASP 151 Ca -0.13 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1jfq n ASP 151 Cb 0.47 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1jfq n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfq n GLY 152 N -1.50 1.93 3.91 0.44 0.00 -1.26 -5.04 105.19 103.66 1jfq n GLY 152 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1jfq n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jfq s SER 153 N -2.50 6.44 0.41 1.61 0.01 -0.18 -5.05 113.70 114.45 1jfq s SER 153 Ca 0.00 0.58 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 1jfq s SER 153 Cb 0.00 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 1jfq s SER 153 CO 0.00 -0.08 0.66 -0.70 0.41 0.00 0.00 173.24 173.52 1jfq s GLU 154 N -3.25 3.51 0.00 12.44 2.12 -1.26 -0.59 118.70 131.67 1jfq s GLU 154 Ca 0.41 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.65 1jfq s GLU 154 Cb -0.11 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1jfq s GLU 154 CO 0.28 -0.01 0.00 2.89 -0.54 0.00 0.00 175.26 177.88 1jfq n ARG 155 N -2.00 0.00 0.00 4.30 1.85 0.38 -4.87 116.66 116.31 1jfq n ARG 155 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1jfq n ARG 155 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1jfq n ARG 155 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1jfq n GLN 156 N 0.00 0.00 -2.20 2.89 1.13 -1.26 -4.92 117.38 113.03 1jfq n GLN 156 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1jfq n GLN 156 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 1jfq n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1jfq s ASN 157 N -4.00 6.88 -0.03 1.08 -0.87 -1.26 -3.82 114.94 112.92 1jfq s ASN 157 Ca 0.00 2.50 0.00 0.00 -1.57 0.00 0.00 52.86 53.79 1jfq s ASN 157 Cb 0.00 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.61 1jfq s ASN 157 CO 0.00 -0.50 0.00 0.61 -2.57 0.00 0.00 177.10 174.64 1jfq n GLY 158 N 1.74 0.40 3.66 0.66 0.00 -1.26 -4.83 105.19 105.56 1jfq n GLY 158 Ca 0.04 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1jfq n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfq s VAL 159 N -2.01 4.59 -0.16 1.61 1.01 -1.25 -1.38 120.40 122.80 1jfq s VAL 159 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1jfq s VAL 159 Cb 0.00 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1jfq s VAL 159 CO 0.00 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.71 1jfq s LEU 160 N -0.21 1.88 0.04 3.92 1.43 -0.21 -4.97 118.68 120.57 1jfq s LEU 160 Ca 0.07 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1jfq s LEU 160 Cb -0.12 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1jfq s LEU 160 CO 0.02 -0.04 -0.10 0.20 0.23 0.00 0.00 176.35 176.66 1jfq s ASN 161 N 1.41 4.39 -0.11 2.29 0.02 -1.26 -1.16 114.94 120.53 1jfq s ASN 161 Ca 0.05 -0.27 -0.09 0.00 -1.02 0.00 0.00 52.86 51.52 1jfq s ASN 161 Cb -0.13 -0.91 0.03 0.00 0.02 0.00 0.00 41.25 40.26 1jfq s ASN 161 CO -0.12 0.24 0.28 -0.55 0.02 0.00 0.00 177.10 176.98 1jfq s SER 162 N -1.66 -0.29 0.08 -1.22 0.15 -0.17 -4.99 113.70 105.59 1jfq s SER 162 Ca 0.18 0.56 0.09 0.00 0.70 0.00 0.00 55.95 57.49 1jfq s SER 162 Cb -0.11 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1jfq s SER 162 CO 0.09 -0.11 -0.25 0.26 1.20 0.00 0.00 173.24 174.44 1jfq s TRP 163 N 0.30 2.37 0.40 3.44 0.51 -1.26 -0.89 118.94 123.82 1jfq s TRP 163 Ca -0.01 -0.36 0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1jfq s TRP 163 Cb -0.03 -1.35 -0.02 0.00 -0.81 0.00 0.00 33.47 31.26 1jfq s TRP 163 CO -0.01 0.24 0.62 0.95 -0.51 0.00 0.00 176.95 178.24 1jfq s THR 164 N -0.94 4.56 0.86 2.01 -4.23 -0.66 -5.02 115.64 112.23 1jfq s THR 164 Ca 0.13 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 60.08 1jfq s THR 164 Cb -0.10 -3.67 0.11 0.00 1.34 0.00 0.00 72.50 70.17 1jfq s THR 164 CO 0.05 -0.46 1.11 -1.81 -0.54 0.00 0.00 174.62 172.96 1jfq s ASP 165 N -4.13 3.89 0.12 3.99 1.01 -1.26 -4.53 116.67 115.76 1jfq s ASP 165 Ca 0.44 1.20 -0.31 0.00 0.71 0.00 0.00 52.55 54.59 1jfq s ASP 165 Cb -0.10 -1.87 -0.10 0.00 1.01 0.00 0.00 42.92 41.87 1jfq s ASP 165 CO 0.37 -2.34 1.67 -1.58 0.21 0.00 0.00 175.17 173.50 1jfq s GLN 166 N -5.16 4.19 0.10 8.23 0.74 -1.26 -4.75 119.66 121.74 1jfq s GLN 166 Ca 0.62 2.41 -0.31 0.00 0.05 0.00 0.00 55.36 58.14 1jfq s GLN 166 Cb -0.15 -3.41 -0.10 0.00 1.10 0.00 0.00 33.01 30.45 1jfq s GLN 166 CO 0.54 -0.72 1.83 0.34 -0.55 0.00 0.00 175.29 176.74 1jfq s ASP 167 N 1.96 6.45 0.49 6.67 -1.08 -0.14 -4.89 116.67 126.14 1jfq s ASP 167 Ca 0.74 2.70 0.17 0.00 -0.52 0.00 0.00 52.55 55.64 1jfq s ASP 167 Cb -0.43 -2.56 1.20 0.00 -1.46 0.00 0.00 42.92 39.67 1jfq s ASP 167 CO 0.33 -1.00 2.05 0.77 0.52 0.00 0.00 175.17 177.84 1jfq h SER 168 N 8.98 0.15 0.01 -0.34 4.64 -1.91 0.14 113.55 125.22 1jfq h SER 168 Ca -0.46 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.62 1jfq h SER 168 Cb 1.22 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1jfq h SER 168 CO 0.94 0.09 -1.32 0.07 -0.87 0.00 0.00 176.83 175.75 1jfq h LYS 169 N 0.16 0.03 -0.18 4.77 2.10 -1.98 -3.41 116.57 118.05 1jfq h LYS 169 Ca 0.16 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1jfq h LYS 169 Cb 0.44 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1jfq h LYS 169 CO -0.02 1.02 0.00 -0.40 -2.00 0.00 0.00 179.45 178.05 1jfq n ASP 170 N -4.34 2.84 -0.86 7.07 5.68 -1.23 -4.99 116.55 120.72 1jfq n ASP 170 Ca -0.32 -1.84 -0.11 0.00 -0.50 0.00 0.00 54.79 52.02 1jfq n ASP 170 Cb 0.72 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.54 1jfq n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jfq n SER 171 N 1.10 -5.61 -4.84 -1.12 7.64 0.49 -4.98 113.62 106.29 1jfq n SER 171 Ca 0.13 0.28 -0.22 0.00 1.01 0.00 0.00 58.87 60.07 1jfq n SER 171 Cb 0.49 -4.10 0.07 0.00 -1.01 0.00 0.00 64.21 59.66 1jfq n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jfq s THR 172 N -2.00 2.37 0.26 0.44 -4.23 -1.26 -4.61 115.64 106.61 1jfq s THR 172 Ca 0.00 -0.67 0.11 0.00 -1.18 0.00 0.00 61.69 59.95 1jfq s THR 172 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1jfq s THR 172 CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 1jfq s TYR 173 N -2.92 2.17 0.11 3.99 2.02 0.44 -0.96 117.35 122.20 1jfq s TYR 173 Ca 0.62 -0.38 0.05 0.00 -0.37 0.00 0.00 57.07 56.99 1jfq s TYR 173 Cb -0.07 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1jfq s TYR 173 CO 0.41 0.64 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.79 1jfq s SER 174 N -3.44 1.79 0.02 2.29 0.01 -1.26 -0.52 113.70 112.58 1jfq s SER 174 Ca 0.28 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1jfq s SER 174 Cb -0.04 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1jfq s SER 174 CO 0.13 -0.19 -0.02 -0.32 0.41 0.00 0.00 173.24 173.26 1jfq s MET 175 N -2.69 0.35 -0.03 12.44 1.75 0.04 -1.65 119.30 129.51 1jfq s MET 175 Ca 0.07 -0.64 0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1jfq s MET 175 Cb -0.04 0.12 0.00 0.00 2.84 0.00 0.00 34.83 37.76 1jfq s MET 175 CO 0.02 -0.06 -0.10 0.45 -0.65 0.00 0.00 175.02 174.68 1jfq s SER 176 N -1.57 1.34 -0.05 1.11 0.15 -0.07 -0.77 113.70 113.85 1jfq s SER 176 Ca -0.14 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.32 1jfq s SER 176 Cb -0.08 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1jfq s SER 176 CO -0.02 0.07 -0.11 -0.55 1.20 0.00 0.00 173.24 173.84 1jfq s SER 177 N 0.25 1.50 -0.04 5.45 0.15 -0.50 -1.00 113.70 119.50 1jfq s SER 177 Ca -0.04 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.40 1jfq s SER 177 Cb -0.10 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1jfq s SER 177 CO 0.01 0.05 -0.14 -0.89 1.20 0.00 0.00 173.24 173.46 1jfq s THR 178 N 0.46 1.23 -0.22 6.45 2.01 -0.31 -0.60 115.64 124.67 1jfq s THR 178 Ca -0.09 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1jfq s THR 178 Cb -0.13 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1jfq s THR 178 CO 0.02 0.36 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.05 1jfq s LEU 179 N 0.18 2.90 -0.12 4.42 0.20 0.33 -1.04 118.68 125.54 1jfq s LEU 179 Ca -0.05 -0.42 -0.00 0.00 0.69 0.00 0.00 54.13 54.35 1jfq s LEU 179 Cb -0.12 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1jfq s LEU 179 CO 0.02 -0.03 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.05 1jfq s THR 180 N 1.47 3.20 0.36 3.68 2.01 -0.48 -0.63 115.64 125.26 1jfq s THR 180 Ca 0.06 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1jfq s THR 180 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1jfq s THR 180 CO -0.03 0.53 0.13 -0.76 -0.69 0.00 0.00 174.62 173.80 1jfq s LEU 181 N 0.20 1.92 0.40 4.42 1.43 0.09 -4.72 118.68 122.41 1jfq s LEU 181 Ca -0.07 -1.60 -0.06 0.00 -1.03 0.00 0.00 54.13 51.37 1jfq s LEU 181 Cb -0.15 -0.03 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 1jfq s LEU 181 CO 0.05 -0.88 0.70 0.42 0.23 0.00 0.00 176.35 176.86 1jfq s THR 182 N -3.34 4.92 0.33 5.49 -4.23 -1.26 -1.06 115.64 116.48 1jfq s THR 182 Ca 0.29 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1jfq s THR 182 Cb 0.04 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.37 1jfq s THR 182 CO 0.16 -0.60 1.93 0.50 -0.54 0.00 0.00 174.62 176.07 1jfq h LYS 183 N 0.93 0.89 -0.13 3.99 3.64 -1.40 -1.47 116.57 123.03 1jfq h LYS 183 Ca -0.47 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1jfq h LYS 183 Cb 1.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1jfq h LYS 183 CO 0.63 0.59 0.07 0.22 -2.27 0.00 0.00 179.45 178.69 1jfq h ASP 184 N 0.92 0.10 -0.03 4.20 1.82 -1.94 -1.74 116.42 119.75 1jfq h ASP 184 Ca 0.36 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.87 1jfq h ASP 184 Cb 0.23 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1jfq h ASP 184 CO -0.13 0.08 -0.42 -0.08 -1.61 0.00 0.00 179.24 177.08 1jfq h GLU 185 N 0.14 0.56 0.01 0.28 4.81 -1.84 -3.16 114.58 115.38 1jfq h GLU 185 Ca 0.05 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1jfq h GLU 185 Cb 0.01 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1jfq h GLU 185 CO -0.03 0.88 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.19 1jfq h TYR 186 N 0.46 -0.05 0.00 0.92 5.03 -1.07 -2.62 116.97 119.64 1jfq h TYR 186 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1jfq h TYR 186 Cb 0.93 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1jfq h TYR 186 CO 0.04 -0.04 0.00 0.39 -1.32 0.00 0.00 178.16 177.23 1jfq n GLU 187 N -5.12 0.62 -0.05 1.82 1.02 -0.67 -2.63 120.64 115.63 1jfq n GLU 187 Ca -0.07 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1jfq n GLU 187 Cb 0.06 -1.27 0.11 0.00 -0.02 0.00 0.00 31.44 30.32 1jfq n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jfq n ARG 188 N -0.77 1.95 -4.30 3.49 1.74 -0.99 -4.96 116.66 112.81 1jfq n ARG 188 Ca 0.08 -1.82 -0.21 0.00 -0.77 0.00 0.00 57.85 55.12 1jfq n ARG 188 Cb 0.04 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 29.96 1jfq n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1jfq s HIS 189 N -1.57 1.73 -0.15 -1.55 3.76 -1.08 -5.11 115.29 111.32 1jfq s HIS 189 Ca 0.26 -0.48 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 1jfq s HIS 189 Cb 0.18 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.94 1jfq s HIS 189 CO 0.26 0.27 -0.25 0.09 -0.85 0.00 0.00 174.74 174.25 1jfq n ASN 190 N 0.50 1.82 -4.73 1.40 4.13 -1.26 -4.75 115.26 112.36 1jfq n ASN 190 Ca -0.15 0.48 -0.33 0.00 1.68 0.00 0.00 54.58 56.27 1jfq n ASN 190 Cb 0.56 -0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 37.92 1jfq n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1jfq s SER 191 N -5.76 5.42 -0.10 6.41 1.04 -1.26 -0.36 113.70 119.09 1jfq s SER 191 Ca -0.21 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.32 1jfq s SER 191 Cb 0.03 -1.50 0.01 0.00 0.10 0.00 0.00 66.02 64.66 1jfq s SER 191 CO 0.31 0.28 -0.15 -0.31 0.98 0.00 0.00 173.24 174.36 1jfq s TYR 192 N -1.12 1.85 -0.04 5.02 1.51 -0.75 -2.22 117.35 121.59 1jfq s TYR 192 Ca 0.21 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 1jfq s TYR 192 Cb -0.12 -1.34 -0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1jfq s TYR 192 CO 0.11 -0.42 -0.17 0.99 -1.11 0.00 0.00 175.55 174.95 1jfq s THR 193 N 0.90 1.42 -0.23 -0.71 2.01 -0.39 -2.12 115.64 116.52 1jfq s THR 193 Ca -0.09 -0.72 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 1jfq s THR 193 Cb -0.15 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1jfq s THR 193 CO 0.00 0.41 0.02 0.00 -0.69 0.00 0.00 174.62 174.36 1jfq s GLU 195 N 1.53 2.48 -0.02 0.00 2.12 0.14 -2.01 118.70 122.94 1jfq s GLU 195 Ca 0.06 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.62 1jfq s GLU 195 Cb -0.15 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1jfq s GLU 195 CO 0.01 -0.30 -0.04 0.00 -0.54 0.00 0.00 175.26 174.39 1jfq s ALA 196 N 1.36 3.11 -0.14 6.30 0.00 -0.33 -0.86 121.76 131.21 1jfq s ALA 196 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1jfq s ALA 196 Cb -0.14 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1jfq s ALA 196 CO -0.10 0.61 -0.12 0.99 0.00 0.00 0.00 175.76 177.14 1jfq s THR 197 N -0.97 1.44 0.05 0.00 2.01 0.71 -0.85 115.64 118.02 1jfq s THR 197 Ca 0.16 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1jfq s THR 197 Cb -0.11 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1jfq s THR 197 CO 0.06 0.41 -0.04 -2.28 -0.69 0.00 0.00 174.62 172.08 1jfq s HIS 198 N 1.54 0.54 0.51 4.92 2.46 -1.26 -0.68 115.29 123.31 1jfq s HIS 198 Ca 0.04 -0.85 0.27 0.00 0.47 0.00 0.00 55.06 55.00 1jfq s HIS 198 Cb -0.13 -0.36 1.38 0.00 -0.13 0.00 0.00 32.58 33.34 1jfq s HIS 198 CO -0.10 -0.26 1.91 -0.22 -2.47 0.00 0.00 174.74 173.60 1jfq h LYS 199 N 3.64 0.08 0.00 2.88 3.64 -1.94 -2.39 116.57 122.47 1jfq h LYS 199 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1jfq h LYS 199 Cb 1.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1jfq h LYS 199 CO 0.57 0.05 0.00 0.25 -2.27 0.00 0.00 179.45 178.05 1jfq n THR 200 N -4.34 0.89 -3.68 1.00 -2.24 -1.26 -4.74 114.28 99.90 1jfq n THR 200 Ca 0.16 0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 62.02 1jfq n THR 200 Cb 0.82 -1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 1jfq n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jfq s SER 201 N -2.69 -0.50 0.34 3.42 0.15 -0.90 -4.99 113.70 108.53 1jfq s SER 201 Ca 0.09 0.83 0.18 0.00 0.70 0.00 0.00 55.95 57.75 1jfq s SER 201 Cb 0.07 0.85 0.35 0.00 -1.71 0.00 0.00 66.02 65.58 1jfq s SER 201 CO 0.17 -0.30 1.58 0.71 1.20 0.00 0.00 173.24 176.60 1jfq h THR 202 N 4.00 0.69 -3.57 6.45 1.35 -1.85 -3.42 112.91 116.57 1jfq h THR 202 Ca -0.28 -1.77 -0.67 0.00 -0.55 0.00 0.00 66.41 63.15 1jfq h THR 202 Cb 1.17 2.18 -0.25 0.00 -1.73 0.00 0.00 68.15 69.52 1jfq h THR 202 CO 0.25 0.36 -0.76 -0.94 -0.25 0.00 0.00 175.52 174.18 1jfq s SER 203 N -6.36 4.05 0.91 5.36 1.04 -1.26 -5.09 113.70 112.35 1jfq s SER 203 Ca 0.03 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 1jfq s SER 203 Cb 0.08 -1.34 0.13 0.00 0.10 0.00 0.00 66.02 64.99 1jfq s SER 203 CO 0.71 0.23 1.07 -0.81 0.98 0.00 0.00 173.24 175.42 1jfq n PRO 204 N 3.07 -0.39 -3.52 4.02 -0.04 -1.26 -4.93 135.00 131.94 1jfq n PRO 204 Ca -0.18 -0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 62.86 1jfq n PRO 204 Cb 0.53 -2.32 -0.09 0.00 -0.04 0.00 0.00 33.50 31.58 1jfq n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jfq s ILE 205 N -2.57 5.28 -0.08 0.52 1.01 -0.03 -4.92 121.20 120.41 1jfq s ILE 205 Ca 0.66 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.79 1jfq s ILE 205 Cb -0.23 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1jfq s ILE 205 CO 0.58 0.29 -0.19 0.68 0.00 0.00 0.00 174.94 176.31 1jfq s VAL 206 N 1.23 1.64 -0.08 2.92 -7.23 -1.26 -1.18 120.40 116.43 1jfq s VAL 206 Ca 0.13 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1jfq s VAL 206 Cb -0.14 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.38 1jfq s VAL 206 CO 0.06 0.47 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.64 1jfq s LYS 207 N 0.44 1.92 0.20 4.82 -0.14 -0.85 -5.00 119.74 121.13 1jfq s LYS 207 Ca -0.16 -0.48 -0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1jfq s LYS 207 Cb -0.17 -1.61 -0.04 0.00 -1.68 0.00 0.00 37.83 34.33 1jfq s LYS 207 CO 0.06 -0.00 0.10 -1.12 -0.76 0.00 0.00 175.35 173.63 1jfq s SER 208 N 0.79 0.56 0.01 2.83 0.01 -1.26 -1.18 113.70 115.46 1jfq s SER 208 Ca -0.12 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 1jfq s SER 208 Cb -0.16 0.28 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1jfq s SER 208 CO 0.02 -0.77 0.33 0.72 0.41 0.00 0.00 173.24 173.95 1jfq s PHE 209 N -3.99 -0.18 -0.10 2.43 -0.71 -0.90 -5.01 117.98 109.53 1jfq s PHE 209 Ca 0.35 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.42 1jfq s PHE 209 Cb 0.07 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 1jfq s PHE 209 CO 0.10 -0.46 -0.09 1.21 -1.34 0.00 0.00 175.22 174.64 1jfq s ASN 210 N -1.68 4.41 0.25 1.98 2.47 -1.26 -1.81 114.94 119.30 1jfq s ASN 210 Ca -0.09 -0.15 -0.04 0.00 0.42 0.00 0.00 52.86 52.99 1jfq s ASN 210 Cb -0.03 -1.36 0.39 0.00 -1.45 0.00 0.00 41.25 38.81 1jfq s ASN 210 CO 0.01 0.27 1.82 0.03 -3.72 0.00 0.00 177.10 175.51 1jfq h ARG 211 N 5.95 0.82 0.00 0.43 3.08 -0.99 -2.49 114.38 121.17 1jfq h ARG 211 Ca -0.39 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 1jfq h ARG 211 Cb 1.18 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1jfq h ARG 211 CO 0.55 0.54 -0.23 -2.95 -1.07 0.00 0.00 179.97 176.82 1jfq h ASN 212 N 0.85 0.00 -0.39 7.04 7.08 -1.94 -3.40 115.58 124.82 1jfq h ASN 212 Ca 0.40 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 53.43 1jfq h ASN 212 Cb 0.33 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.54 1jfq h ASN 212 CO -0.23 0.23 0.58 -1.61 -2.08 0.00 0.00 177.43 174.32 1jfq s GLU 213 N -3.54 1.99 -0.62 4.14 2.02 -0.94 -4.81 118.70 116.94 1jfq s GLU 213 Ca 0.01 -0.60 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 1jfq s GLU 213 Cb 0.09 -5.08 0.16 0.00 0.10 0.00 0.00 34.13 29.40 1jfq s GLU 213 CO 0.65 -4.41 0.56 0.00 0.02 0.00 0.00 175.26 172.08