#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfm s VAL 2 N 0.00 1.99 0.04 2.53 -7.23 -0.93 -5.01 120.40 111.79 3nfm s VAL 2 Ca 0.00 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 57.97 3nfm s VAL 2 Cb 0.00 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3nfm s VAL 2 CO 0.00 -0.46 -0.03 -0.44 -0.31 0.00 0.00 175.10 173.86 3nfm s SER 3 N -3.20 0.39 -0.17 4.85 0.01 -1.26 0.21 113.70 114.53 3nfm s SER 3 Ca 0.23 -0.80 -0.09 0.00 1.31 0.00 0.00 55.95 56.60 3nfm s SER 3 Cb -0.03 0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.41 3nfm s SER 3 CO 0.09 -0.48 0.42 0.12 0.41 0.00 0.00 173.24 173.80 3nfm s PHE 4 N -2.92 -0.62 -0.09 2.43 5.36 -0.82 -4.62 117.98 116.70 3nfm s PHE 4 Ca -0.02 1.31 0.04 0.00 -0.96 0.00 0.00 56.93 57.30 3nfm s PHE 4 Cb 0.01 0.28 -0.01 0.00 -0.34 0.00 0.00 43.02 42.95 3nfm s PHE 4 CO -0.06 -0.35 -0.20 1.03 -1.46 0.00 0.00 175.22 174.17 3nfm s ARG 5 N 1.40 2.91 0.07 10.12 0.52 -1.26 -1.85 118.95 130.86 3nfm s ARG 5 Ca -0.10 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.24 3nfm s ARG 5 Cb -0.08 -2.35 -0.29 0.00 0.52 0.00 0.00 34.95 32.74 3nfm s ARG 5 CO -0.13 0.31 1.11 -0.07 0.02 0.00 0.00 175.30 176.54 3nfm h LEU 6 N 6.33 0.48 -8.47 2.53 4.07 -1.54 -3.36 115.31 115.35 3nfm h LEU 6 Ca -0.28 -0.52 -0.69 0.00 0.08 0.00 0.00 57.88 56.47 3nfm h LEU 6 Cb 1.20 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 3nfm h LEU 6 CO 0.50 1.41 1.40 -0.24 -1.08 0.00 0.00 178.44 180.42 3nfm n SER 7 N -3.55 1.94 0.00 -0.43 2.88 -1.26 0.25 113.62 113.45 3nfm n SER 7 Ca -0.10 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 3nfm n SER 7 Cb 1.04 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 3nfm n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3nfm n GLY 8 N 6.66 0.77 3.77 0.46 0.00 -1.26 -5.03 105.19 110.55 3nfm n GLY 8 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 3nfm n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nfm s ALA 9 N -2.81 3.30 0.28 4.61 0.00 0.70 -4.95 121.76 122.88 3nfm s ALA 9 Ca 0.00 1.27 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 3nfm s ALA 9 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3nfm s ALA 9 CO 0.00 -0.85 0.44 0.16 0.00 0.00 0.00 175.76 175.51 3nfm s ASP 10 N -0.66 0.30 0.55 0.00 -4.77 -1.26 -5.01 116.67 105.81 3nfm s ASP 10 Ca 0.56 -1.20 0.30 0.00 -3.30 0.00 0.00 52.55 48.91 3nfm s ASP 10 Cb -0.39 0.59 1.46 0.00 -1.09 0.00 0.00 42.92 43.49 3nfm s ASP 10 CO 0.51 -1.17 1.91 -0.65 0.70 0.00 0.00 175.17 176.47 3nfm h PRO 11 N 2.25 0.00 0.57 2.11 0.11 -1.96 -1.95 132.00 133.14 3nfm h PRO 11 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3nfm h PRO 11 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.36 3nfm h PRO 11 CO 0.39 0.00 -0.28 1.03 -0.21 0.00 0.00 178.00 178.94 3nfm h SER 12 N 0.00 -0.65 0.41 -2.05 0.87 -1.97 -1.68 113.55 108.48 3nfm h SER 12 Ca 0.34 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.79 3nfm h SER 12 Cb 1.44 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 3nfm h SER 12 CO -0.00 -0.28 -0.37 0.77 -0.53 0.00 0.00 176.83 176.42 3nfm h SER 13 N -1.10 0.00 -0.58 6.23 4.64 -1.83 -1.75 113.55 119.17 3nfm h SER 13 Ca -0.08 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.16 3nfm h SER 13 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3nfm h SER 13 CO 0.13 0.37 0.07 0.22 -0.87 0.00 0.00 176.83 176.75 3nfm h TYR 14 N 0.00 1.08 -0.56 4.77 3.20 -1.42 -0.49 116.97 123.55 3nfm h TYR 14 Ca -0.00 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.75 3nfm h TYR 14 Cb 0.68 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3nfm h TYR 14 CO 0.00 0.92 0.32 0.78 -1.64 0.00 0.00 178.16 178.54 3nfm h GLY 15 N 1.02 0.79 0.98 1.82 0.00 -0.45 -0.61 103.07 106.63 3nfm h GLY 15 Ca 0.18 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3nfm h GLY 15 CO 0.02 0.17 0.11 -0.33 0.00 0.00 0.00 176.54 176.51 3nfm h MET 16 N 0.62 0.82 -0.41 4.80 2.86 -0.80 -0.48 114.93 122.32 3nfm h MET 16 Ca 0.23 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3nfm h MET 16 Cb 0.08 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3nfm h MET 16 CO -0.13 0.79 0.24 0.35 1.06 0.00 0.00 176.91 179.23 3nfm h PHE 17 N 0.70 0.55 0.00 -0.22 3.57 -0.74 0.33 116.94 121.13 3nfm h PHE 17 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3nfm h PHE 17 Cb 0.35 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 3nfm h PHE 17 CO 0.02 0.40 -0.16 0.82 -2.23 0.00 0.00 178.31 177.16 3nfm h ILE 18 N 0.54 0.46 -0.01 1.41 1.08 -0.94 0.12 117.51 120.17 3nfm h ILE 18 Ca 0.15 -0.87 -0.21 0.00 -0.39 0.00 0.00 64.86 63.54 3nfm h ILE 18 Cb 0.02 1.61 0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3nfm h ILE 18 CO -0.03 0.16 -0.82 0.50 -0.69 0.00 0.00 178.15 177.27 3nfm h LYS 19 N 0.00 0.58 -0.44 2.37 3.64 -0.35 -2.50 116.57 119.87 3nfm h LYS 19 Ca -0.00 -0.61 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 3nfm h LYS 19 Cb 0.60 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 3nfm h LYS 19 CO 0.02 1.22 0.15 -0.44 -2.27 0.00 0.00 179.45 178.13 3nfm h ASP 20 N 0.18 0.63 -0.41 4.20 3.32 0.17 -0.62 116.42 123.90 3nfm h ASP 20 Ca -0.10 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 56.83 3nfm h ASP 20 Cb 1.50 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.82 3nfm h ASP 20 CO 0.16 0.65 0.03 0.25 -1.72 0.00 0.00 179.24 178.62 3nfm h LEU 21 N 0.57 -0.10 -0.84 1.55 5.85 -0.79 -0.55 115.31 121.00 3nfm h LEU 21 Ca 0.14 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3nfm h LEU 21 Cb 0.24 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3nfm h LEU 21 CO -0.01 -0.01 0.24 0.03 -0.34 0.00 0.00 178.44 178.35 3nfm h ARG 22 N 0.15 1.09 0.00 1.25 3.08 -1.11 -2.61 114.38 116.23 3nfm h ARG 22 Ca 0.20 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3nfm h ARG 22 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3nfm h ARG 22 CO -0.31 0.92 0.00 -0.91 -1.07 0.00 0.00 179.97 178.61 3nfm h ASN 23 N 1.06 0.00 0.71 7.04 -0.26 0.38 -2.83 115.58 121.67 3nfm h ASN 23 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3nfm h ASN 23 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3nfm h ASN 23 CO -0.01 0.00 -0.68 0.00 -1.06 0.00 0.00 177.43 175.68 3nfm n ALA 24 N -1.90 3.13 -2.70 -0.83 0.00 -0.49 -4.83 120.51 112.89 3nfm n ALA 24 Ca 0.00 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3nfm n ALA 24 Cb 0.19 -1.12 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3nfm n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3nfm s LEU 25 N -3.93 4.27 0.18 0.00 1.43 -1.07 -5.04 118.68 114.52 3nfm s LEU 25 Ca 0.07 1.24 -0.25 0.00 -1.03 0.00 0.00 54.13 54.16 3nfm s LEU 25 Cb 0.14 -3.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.09 3nfm s LEU 25 CO 0.73 -0.24 0.78 -2.16 0.23 0.00 0.00 176.35 175.69 3nfm s PRO 26 N 1.32 4.53 0.11 1.29 0.04 -1.26 -5.04 135.00 135.99 3nfm s PRO 26 Ca 0.39 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.46 3nfm s PRO 26 Cb -0.18 -3.20 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3nfm s PRO 26 CO 0.17 0.54 0.25 -3.38 0.04 0.00 0.00 177.00 174.63 3nfm s HIS 27 N -1.21 0.11 0.00 0.56 -3.43 -1.26 -3.11 115.29 106.95 3nfm s HIS 27 Ca 0.37 -0.51 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 3nfm s HIS 27 Cb -0.22 0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 3nfm s HIS 27 CO 0.26 -0.61 0.10 0.25 -2.00 0.00 0.00 174.74 172.73 3nfm n THR 28 N -0.12 0.00 -4.09 -5.38 -2.24 -1.26 -5.03 114.28 96.15 3nfm n THR 28 Ca -0.14 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3nfm n THR 28 Cb 0.63 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.96 3nfm n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3nfm s GLU 29 N -0.29 0.62 0.02 -0.78 2.12 -1.26 -5.10 118.70 114.02 3nfm s GLU 29 Ca 0.00 -1.11 0.07 0.00 0.36 0.00 0.00 54.97 54.29 3nfm s GLU 29 Cb 0.00 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 3nfm s GLU 29 CO 0.00 -0.06 -0.21 0.15 -0.54 0.00 0.00 175.26 174.60 3nfm s LYS 30 N -3.27 1.57 -0.21 4.30 1.02 -1.26 -2.52 119.74 119.37 3nfm s LYS 30 Ca 0.03 -0.87 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 3nfm s LYS 30 Cb 0.03 -1.61 0.01 0.00 -0.52 0.00 0.00 37.83 35.74 3nfm s LYS 30 CO -0.06 0.43 -0.12 0.08 -0.92 0.00 0.00 175.35 174.76 3nfm s VAL 31 N -0.66 2.65 -1.60 3.17 1.01 -0.85 -4.53 120.40 119.58 3nfm s VAL 31 Ca 0.08 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 3nfm s VAL 31 Cb -0.09 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.19 3nfm s VAL 31 CO 0.01 0.40 0.91 -1.22 0.00 0.00 0.00 175.10 175.20 3nfm n TYR 32 N 4.68 -2.10 -2.81 5.22 4.01 -1.26 -1.43 117.16 123.46 3nfm n TYR 32 Ca -0.19 0.87 -0.15 0.00 -0.16 0.00 0.00 57.90 58.27 3nfm n TYR 32 Cb 0.49 -3.59 0.03 0.00 -0.31 0.00 0.00 39.34 35.96 3nfm n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3nfm n ASN 33 N -2.76 -4.60 -3.82 7.72 5.15 -1.26 -5.00 115.26 110.68 3nfm n ASN 33 Ca 0.06 -0.21 -0.24 0.00 -0.60 0.00 0.00 54.58 53.59 3nfm n ASN 33 Cb 0.51 -3.44 -0.17 0.00 -0.53 0.00 0.00 39.78 36.15 3nfm n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3nfm s ILE 34 N -2.99 0.56 -0.03 -1.44 1.01 -0.52 -5.08 121.20 112.72 3nfm s ILE 34 Ca 0.22 -0.01 -0.39 0.00 0.00 0.00 0.00 60.65 60.47 3nfm s ILE 34 Cb -0.10 -0.67 -0.18 0.00 0.01 0.00 0.00 42.46 41.53 3nfm s ILE 34 CO 0.28 0.28 1.33 -2.65 0.00 0.00 0.00 174.94 174.18 3nfm n PRO 35 N 4.95 0.74 -3.53 2.79 -0.02 -1.26 -2.01 135.00 136.66 3nfm n PRO 35 Ca -0.11 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 3nfm n PRO 35 Cb 0.50 -1.87 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 3nfm n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3nfm s LEU 36 N 0.91 4.31 0.57 2.45 2.96 -1.05 -1.61 118.68 127.23 3nfm s LEU 36 Ca 0.90 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 54.39 3nfm s LEU 36 Cb -1.10 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 3nfm s LEU 36 CO 0.55 -0.18 1.22 -0.76 -1.32 0.00 0.00 176.35 175.86 3nfm s LEU 37 N 1.78 3.72 0.91 -0.68 1.43 -0.50 -4.28 118.68 121.07 3nfm s LEU 37 Ca 0.07 2.41 -0.10 0.00 -1.03 0.00 0.00 54.13 55.48 3nfm s LEU 37 Cb -0.17 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.65 3nfm s LEU 37 CO 0.11 -1.52 1.10 0.18 0.23 0.00 0.00 176.35 176.45 3nfm n LEU 38 N -1.42 3.19 -0.05 1.79 4.77 -1.18 -4.19 117.00 119.90 3nfm n LEU 38 Ca 0.13 0.43 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 3nfm n LEU 38 Cb 0.49 -1.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 3nfm n LEU 38 CO 0.45 -2.22 0.41 -0.65 -1.33 0.00 0.00 177.39 174.05 3nfm h PRO 39 N -1.79 0.69 -2.74 3.23 0.11 -1.93 -3.43 132.00 126.13 3nfm h PRO 39 Ca -0.43 -0.48 0.06 0.00 0.11 0.00 0.00 66.00 65.26 3nfm h PRO 39 Cb 1.27 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.36 3nfm h PRO 39 CO 0.41 1.10 0.32 -1.54 -0.21 0.00 0.00 178.00 178.08 3nfm s SER 40 N -6.78 -0.38 -0.04 -2.05 1.04 -1.26 -4.80 113.70 99.44 3nfm s SER 40 Ca -0.12 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 3nfm s SER 40 Cb 0.08 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3nfm s SER 40 CO 0.86 -0.99 0.07 -0.69 0.98 0.00 0.00 173.24 173.46 3nfm s VAL 41 N -3.59 -0.06 -0.07 5.02 1.01 -1.26 -5.07 120.40 116.39 3nfm s VAL 41 Ca 0.06 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 3nfm s VAL 41 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3nfm s VAL 41 CO -0.04 0.09 0.75 -0.55 0.00 0.00 0.00 175.10 175.35 3nfm s SER 42 N 1.15 7.04 0.00 3.32 0.15 -1.26 -4.45 113.70 119.64 3nfm s SER 42 Ca -0.09 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.82 3nfm s SER 42 Cb -0.13 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3nfm s SER 42 CO -0.04 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3nfm n GLY 43 N 3.11 -0.35 0.14 9.45 0.00 -1.26 -4.10 105.19 112.18 3nfm n GLY 43 Ca 0.00 -1.38 0.13 0.00 0.00 0.00 0.00 46.02 44.77 3nfm n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nfm h ALA 44 N 0.00 1.00 0.00 4.61 0.00 -1.94 -2.77 119.26 120.16 3nfm h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nfm h ALA 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nfm h ALA 44 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.03 3nfm h GLY 45 N 2.73 0.00 2.00 0.00 0.00 -1.91 -2.74 103.07 103.15 3nfm h GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nfm h GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 3nfm n ARG 46 N -2.64 0.22 -5.11 4.80 0.63 -1.05 -4.76 116.66 108.74 3nfm n ARG 46 Ca 0.00 0.40 -0.32 0.00 -0.92 0.00 0.00 57.85 57.02 3nfm n ARG 46 Cb 0.20 -1.89 -0.16 0.00 0.45 0.00 0.00 32.46 31.06 3nfm n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3nfm s TYR 47 N -3.31 2.62 -0.14 -0.14 2.02 -1.03 -0.55 117.35 116.81 3nfm s TYR 47 Ca 0.05 -0.93 -0.06 0.00 -0.37 0.00 0.00 57.07 55.76 3nfm s TYR 47 Cb 0.10 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3nfm s TYR 47 CO 0.43 -0.36 0.06 -1.17 -1.57 0.00 0.00 175.55 172.94 3nfm s LEU 48 N 0.31 3.87 -0.32 -1.29 2.96 0.14 -4.85 118.68 119.50 3nfm s LEU 48 Ca -0.16 0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 3nfm s LEU 48 Cb -0.17 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3nfm s LEU 48 CO 0.08 0.28 0.21 -0.76 -1.32 0.00 0.00 176.35 174.84 3nfm s LEU 49 N -0.25 4.30 -0.12 -0.68 1.43 -1.26 -0.35 118.68 121.75 3nfm s LEU 49 Ca 0.08 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 3nfm s LEU 49 Cb -0.12 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3nfm s LEU 49 CO 0.01 -0.17 0.22 -0.04 0.23 0.00 0.00 176.35 176.60 3nfm s MET 50 N 1.72 3.81 -0.26 1.70 -1.94 0.11 -2.19 119.30 122.24 3nfm s MET 50 Ca 0.06 -0.00 -0.06 0.00 -1.71 0.00 0.00 55.69 53.98 3nfm s MET 50 Cb -0.17 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.39 3nfm s MET 50 CO 0.10 0.58 0.04 -1.01 -0.01 0.00 0.00 175.02 174.73 3nfm s HIS 51 N -0.53 3.08 -0.02 -0.03 3.76 0.13 -0.37 115.29 121.31 3nfm s HIS 51 Ca 0.16 -0.80 0.05 0.00 -0.15 0.00 0.00 55.06 54.32 3nfm s HIS 51 Cb -0.13 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 3nfm s HIS 51 CO 0.05 -0.50 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.76 3nfm s LEU 52 N 1.53 2.65 -0.09 0.89 1.43 -0.09 -1.95 118.68 123.05 3nfm s LEU 52 Ca 0.05 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3nfm s LEU 52 Cb -0.16 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.54 3nfm s LEU 52 CO 0.01 0.32 -0.14 -0.36 0.23 0.00 0.00 176.35 176.41 3nfm s PHE 53 N -0.78 1.76 1.10 0.29 0.40 -0.77 -1.73 117.98 118.25 3nfm s PHE 53 Ca 0.12 -0.77 -0.18 0.00 -0.60 0.00 0.00 56.93 55.51 3nfm s PHE 53 Cb -0.11 -1.29 0.25 0.00 0.51 0.00 0.00 43.02 42.39 3nfm s PHE 53 CO 0.02 -0.40 1.22 0.54 0.70 0.00 0.00 175.22 177.29 3nfm s ASN 54 N 0.90 1.90 0.50 1.36 2.20 -0.31 -1.70 114.94 119.79 3nfm s ASN 54 Ca -0.09 0.43 0.16 0.00 -0.94 0.00 0.00 52.86 52.41 3nfm s ASN 54 Cb -0.15 -0.55 1.22 0.00 -2.00 0.00 0.00 41.25 39.78 3nfm s ASN 54 CO 0.00 -3.50 2.11 0.22 -2.94 0.00 0.00 177.10 172.99 3nfm h TYR 55 N -2.16 0.09 -0.00 1.54 3.20 -1.89 -2.45 116.97 115.28 3nfm h TYR 55 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3nfm h TYR 55 Cb 1.26 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3nfm h TYR 55 CO -1.77 0.05 -0.10 -0.25 -1.64 0.00 0.00 178.16 174.45 3nfm n ASP 56 N -4.51 0.56 0.00 -2.11 8.00 -1.26 -4.54 116.55 112.70 3nfm n ASP 56 Ca 0.00 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3nfm n ASP 56 Cb 0.17 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3nfm n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nfm n GLY 57 N 1.25 0.55 3.82 0.44 0.00 -0.92 -5.08 105.19 105.24 3nfm n GLY 57 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3nfm n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nfm s ASN 58 N -2.54 5.99 0.09 1.61 0.01 -1.26 -4.80 114.94 114.05 3nfm s ASN 58 Ca 0.00 1.69 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 3nfm s ASN 58 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 3nfm s ASN 58 CO 0.00 -1.02 -0.07 0.28 -1.51 0.00 0.00 177.10 174.78 3nfm s THR 59 N -2.64 0.67 0.01 1.60 -1.32 -1.26 -1.17 115.64 111.54 3nfm s THR 59 Ca 0.61 -1.81 -0.02 0.00 -1.21 0.00 0.00 61.69 59.25 3nfm s THR 59 Cb -0.14 -1.53 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3nfm s THR 59 CO 0.39 -0.80 0.02 0.27 -2.21 0.00 0.00 174.62 172.29 3nfm s ILE 60 N -3.30 0.10 -0.18 5.08 -4.36 -0.70 -4.45 121.20 113.39 3nfm s ILE 60 Ca 0.09 -0.83 -0.00 0.00 -0.26 0.00 0.00 60.65 59.64 3nfm s ILE 60 Cb 0.03 -0.31 0.00 0.00 1.25 0.00 0.00 42.46 43.43 3nfm s ILE 60 CO -0.04 -0.46 -0.15 -0.89 0.24 0.00 0.00 174.94 173.64 3nfm s THR 61 N -1.42 2.59 -0.12 8.37 2.01 -1.03 -0.91 115.64 125.13 3nfm s THR 61 Ca -0.15 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 3nfm s THR 61 Cb -0.09 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3nfm s THR 61 CO -0.00 0.50 0.06 -0.69 -0.69 0.00 0.00 174.62 173.80 3nfm s VAL 62 N 1.13 4.79 -0.18 3.82 1.01 0.50 -1.08 120.40 130.39 3nfm s VAL 62 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 3nfm s VAL 62 Cb -0.14 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3nfm s VAL 62 CO -0.05 0.58 0.10 0.00 0.00 0.00 0.00 175.10 175.72 3nfm s ALA 63 N -0.62 3.60 -0.03 5.51 0.00 -0.65 0.04 121.76 129.61 3nfm s ALA 63 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3nfm s ALA 63 Cb -0.12 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.96 3nfm s ALA 63 CO 0.02 0.23 -0.15 0.08 0.00 0.00 0.00 175.76 175.95 3nfm s VAL 64 N 0.16 1.25 -0.41 0.00 1.01 0.52 -0.47 120.40 122.46 3nfm s VAL 64 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3nfm s VAL 64 Cb -0.12 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3nfm s VAL 64 CO -0.00 0.36 1.27 -0.62 0.00 0.00 0.00 175.10 176.11 3nfm s ASP 65 N 0.02 6.54 0.08 3.32 -1.08 0.15 0.25 116.67 125.95 3nfm s ASP 65 Ca -0.02 0.79 0.10 0.00 -0.52 0.00 0.00 52.55 52.89 3nfm s ASP 65 Cb -0.10 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.26 3nfm s ASP 65 CO 0.01 -1.27 1.30 1.33 0.52 0.00 0.00 175.17 177.06 3nfm n VAL 66 N 6.76 1.47 0.35 1.11 0.24 0.29 0.55 118.33 129.09 3nfm n VAL 66 Ca 0.14 0.45 0.12 0.00 -2.04 0.00 0.00 64.34 63.01 3nfm n VAL 66 Cb 0.48 -1.38 0.05 0.00 -1.47 0.00 0.00 33.84 31.52 3nfm n VAL 66 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3nfm n THR 67 N -1.69 0.41 0.00 3.34 -2.24 -1.26 -4.48 114.28 108.36 3nfm n THR 67 Ca 0.01 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3nfm n THR 67 Cb 0.07 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 3nfm n THR 67 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3nfm n ASN 68 N -2.33 0.74 -0.96 3.42 0.23 -1.01 -4.56 115.26 110.79 3nfm n ASN 68 Ca 0.01 -0.08 -0.09 0.00 -0.53 0.00 0.00 54.58 53.90 3nfm n ASN 68 Cb 0.49 0.30 -0.01 0.00 -2.08 0.00 0.00 39.78 38.48 3nfm n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3nfm n VAL 69 N -0.37 -0.36 -3.17 3.53 0.31 0.19 -5.01 118.33 113.46 3nfm n VAL 69 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3nfm n VAL 69 Cb 0.00 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 3nfm n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3nfm s TYR 70 N -2.43 3.84 -0.02 3.52 4.12 -1.23 -4.82 117.35 120.34 3nfm s TYR 70 Ca 0.00 1.40 -0.28 0.00 0.02 0.00 0.00 57.07 58.21 3nfm s TYR 70 Cb 0.00 -2.60 -0.03 0.00 -1.52 0.00 0.00 41.96 37.81 3nfm s TYR 70 CO 0.00 0.55 0.89 0.42 0.02 0.00 0.00 175.55 177.44 3nfm s ILE 71 N -1.09 4.93 -0.17 2.71 -1.09 -1.26 -0.68 121.20 124.55 3nfm s ILE 71 Ca 0.31 1.87 0.12 0.00 -2.23 0.00 0.00 60.65 60.72 3nfm s ILE 71 Cb -0.21 -4.23 -0.23 0.00 -1.58 0.00 0.00 42.46 36.21 3nfm s ILE 71 CO 0.22 0.19 0.19 0.23 -1.23 0.00 0.00 174.94 174.53 3nfm n MET 72 N 3.87 0.67 -3.30 2.79 2.81 0.38 -4.94 117.12 119.40 3nfm n MET 72 Ca 0.04 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 3nfm n MET 72 Cb 0.51 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3nfm n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3nfm n GLY 73 N 1.81 -1.00 3.60 3.03 0.00 -1.25 -2.62 105.19 108.76 3nfm n GLY 73 Ca -0.31 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3nfm n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3nfm s TYR 74 N -3.00 -0.40 -0.15 1.61 1.13 0.26 -1.63 117.35 115.17 3nfm s TYR 74 Ca 0.00 0.09 -0.02 0.00 -1.41 0.00 0.00 57.07 55.73 3nfm s TYR 74 Cb 0.00 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.46 3nfm s TYR 74 CO 0.00 -0.99 -0.09 -1.17 -2.51 0.00 0.00 175.55 170.78 3nfm s LEU 75 N -2.81 2.88 -0.28 -3.49 2.96 -0.24 -0.51 118.68 117.19 3nfm s LEU 75 Ca 0.05 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 3nfm s LEU 75 Cb -0.03 -1.67 0.08 0.00 0.50 0.00 0.00 46.19 45.07 3nfm s LEU 75 CO -0.05 0.14 0.01 0.00 -1.32 0.00 0.00 176.35 175.14 3nfm s ALA 76 N 0.49 2.07 0.00 5.97 0.00 -0.06 -2.46 121.76 127.77 3nfm s ALA 76 Ca -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.17 3nfm s ALA 76 Cb -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.36 3nfm s ALA 76 CO 0.04 -1.43 0.00 -0.11 0.00 0.00 0.00 175.76 174.25 3nfm n LEU 77 N 4.62 0.00 -1.49 0.00 7.94 -1.26 -2.43 117.00 124.38 3nfm n LEU 77 Ca -0.05 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.83 3nfm n LEU 77 Cb 0.43 0.00 0.27 0.00 0.53 0.00 0.00 43.42 44.65 3nfm n LEU 77 CO 0.17 0.00 0.87 0.35 -1.11 0.00 0.00 177.39 177.67 3nfm n THR 78 N 0.00 2.67 -4.62 1.96 -2.24 -1.26 -4.95 114.28 105.84 3nfm n THR 78 Ca 0.00 -1.95 -0.25 0.00 -2.27 0.00 0.00 64.05 59.58 3nfm n THR 78 Cb 0.00 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 67.77 3nfm n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3nfm s THR 79 N -3.00 1.68 0.08 4.28 2.01 -1.02 -0.87 115.64 118.79 3nfm s THR 79 Ca 0.49 -1.23 0.09 0.00 0.31 0.00 0.00 61.69 61.36 3nfm s THR 79 Cb 0.40 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 3nfm s THR 79 CO 0.09 0.19 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.03 3nfm s SER 80 N -1.23 3.44 -0.07 3.53 1.04 -0.02 -0.88 113.70 119.51 3nfm s SER 80 Ca 0.07 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.93 3nfm s SER 80 Cb -0.09 -0.37 0.01 0.00 0.10 0.00 0.00 66.02 65.67 3nfm s SER 80 CO 0.02 0.23 -0.14 -0.31 0.98 0.00 0.00 173.24 174.02 3nfm s TYR 81 N -0.95 1.64 0.02 5.02 1.51 0.33 0.12 117.35 125.04 3nfm s TYR 81 Ca 0.14 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.60 3nfm s TYR 81 Cb -0.10 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 3nfm s TYR 81 CO 0.05 -0.31 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.00 3nfm s PHE 82 N 0.66 1.02 1.07 2.71 0.08 -0.57 -0.58 117.98 122.36 3nfm s PHE 82 Ca -0.14 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.49 3nfm s PHE 82 Cb -0.16 -0.62 0.23 0.00 -0.57 0.00 0.00 43.02 41.90 3nfm s PHE 82 CO 0.04 0.00 1.04 1.19 -0.10 0.00 0.00 175.22 177.39 3nfm n PHE 83 N 2.21 -0.41 -3.08 0.36 3.72 -1.08 -0.19 117.46 119.00 3nfm n PHE 83 Ca -0.17 0.08 -0.44 0.00 -0.05 0.00 0.00 57.45 56.87 3nfm n PHE 83 Cb 0.55 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.27 3nfm n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3nfm n ASN 84 N -4.56 5.36 -3.65 4.37 4.05 -0.96 -4.53 115.26 115.34 3nfm n ASN 84 Ca 0.07 -3.01 -0.15 0.00 0.45 0.00 0.00 54.58 51.93 3nfm n ASN 84 Cb 0.53 -1.49 -0.08 0.00 1.23 0.00 0.00 39.78 39.98 3nfm n ASN 84 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3nfm s GLU 85 N 0.34 0.79 0.27 1.20 -1.05 -1.26 -3.27 118.70 115.71 3nfm s GLU 85 Ca 0.38 0.38 -0.00 0.00 -0.15 0.00 0.00 54.97 55.58 3nfm s GLU 85 Cb -0.05 0.37 0.61 0.00 -0.44 0.00 0.00 34.13 34.62 3nfm s GLU 85 CO -0.03 -0.18 1.68 -1.35 0.95 0.00 0.00 175.26 176.33 3nfm h PRO 86 N 4.20 0.30 -0.77 -4.83 0.11 -1.99 -1.13 132.00 127.89 3nfm h PRO 86 Ca -0.28 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3nfm h PRO 86 Cb 1.16 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 3nfm h PRO 86 CO 0.29 0.20 0.36 0.00 -0.21 0.00 0.00 178.00 178.63 3nfm h ALA 87 N 1.68 1.00 -0.25 -0.75 0.00 -1.98 -0.40 119.26 118.57 3nfm h ALA 87 Ca 0.50 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3nfm h ALA 87 Cb 0.92 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3nfm h ALA 87 CO -0.55 0.58 0.01 0.00 0.00 0.00 0.00 179.25 179.29 3nfm h ALA 88 N 1.18 0.33 -0.73 0.00 0.00 -1.59 0.15 119.26 118.60 3nfm h ALA 88 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3nfm h ALA 88 Cb 0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3nfm h ALA 88 CO -0.03 0.05 0.41 0.22 0.00 0.00 0.00 179.25 179.90 3nfm h ASP 89 N 0.21 0.89 -0.51 0.00 3.58 -0.94 0.68 116.42 120.32 3nfm h ASP 89 Ca 0.07 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 3nfm h ASP 89 Cb 0.39 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 3nfm h ASP 89 CO 0.01 0.71 0.08 0.25 -2.88 0.00 0.00 179.24 177.41 3nfm h LEU 90 N 1.01 0.82 -1.52 2.28 5.85 -0.85 -2.52 115.31 120.39 3nfm h LEU 90 Ca 0.26 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3nfm h LEU 90 Cb 0.01 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3nfm h LEU 90 CO -0.04 0.87 0.29 0.00 -0.34 0.00 0.00 178.44 179.22 3nfm h ALA 91 N 0.98 1.65 0.00 1.25 0.00 0.06 -1.65 119.26 121.54 3nfm h ALA 91 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3nfm h ALA 91 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3nfm h ALA 91 CO 0.01 0.32 0.05 0.66 0.00 0.00 0.00 179.25 180.29 3nfm h SER 92 N 0.63 0.00 0.66 0.00 4.64 -0.44 -0.76 113.55 118.28 3nfm h SER 92 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3nfm h SER 92 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3nfm h SER 92 CO -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.92 3nfm n GLN 93 N -3.03 0.34 0.00 4.77 6.02 -0.62 -4.09 117.38 120.76 3nfm n GLN 93 Ca -0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3nfm n GLN 93 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3nfm n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3nfm n TYR 94 N -1.32 0.00 -4.34 1.08 4.01 -0.32 -5.01 117.16 111.25 3nfm n TYR 94 Ca 0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 3nfm n TYR 94 Cb 0.27 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.18 3nfm n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3nfm s VAL 95 N -1.81 2.60 -1.43 -0.72 -7.23 -1.04 -4.68 120.40 106.09 3nfm s VAL 95 Ca 0.00 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 3nfm s VAL 95 Cb 0.00 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3nfm s VAL 95 CO 0.00 0.07 0.28 0.49 -0.31 0.00 0.00 175.10 175.63 3nfm n PHE 96 N 0.78 -1.56 -0.04 2.82 3.72 -1.26 -4.78 117.46 117.14 3nfm n PHE 96 Ca -0.16 0.25 0.05 0.00 -0.05 0.00 0.00 57.45 57.53 3nfm n PHE 96 Cb 0.53 -3.63 0.41 0.00 -0.94 0.00 0.00 39.48 35.86 3nfm n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nfm h ARG 97 N -0.61 0.58 -0.90 -1.08 2.47 -1.85 -2.20 114.38 110.80 3nfm h ARG 97 Ca -0.44 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.16 3nfm h ARG 97 Cb 1.31 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.45 3nfm h ARG 97 CO 0.51 0.38 0.11 -1.13 0.56 0.00 0.00 179.97 180.40 3nfm n SER 98 N -4.47 3.11 -4.76 7.04 3.41 -1.26 -4.87 113.62 111.81 3nfm n SER 98 Ca 0.05 -2.50 -0.40 0.00 -0.26 0.00 0.00 58.87 55.76 3nfm n SER 98 Cb 0.10 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 3nfm n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nfm s ALA 99 N -1.59 3.35 0.27 7.33 0.00 -0.83 -4.93 121.76 125.37 3nfm s ALA 99 Ca 0.23 0.84 0.32 0.00 0.00 0.00 0.00 51.96 53.35 3nfm s ALA 99 Cb 0.18 -3.31 1.46 0.00 0.00 0.00 0.00 23.12 21.46 3nfm s ALA 99 CO 0.06 -0.13 2.04 0.00 0.00 0.00 0.00 175.76 177.72 3nfm h ARG 100 N 3.64 0.00 -2.41 0.00 3.08 -1.34 -3.45 114.38 113.90 3nfm h ARG 100 Ca -0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.50 3nfm h ARG 100 Cb 1.21 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.07 3nfm h ARG 100 CO 0.66 0.08 0.01 -0.98 -1.07 0.00 0.00 179.97 178.67 3nfm s ARG 101 N -3.87 0.91 -0.15 0.04 1.70 -1.17 -5.06 118.95 111.35 3nfm s ARG 101 Ca -0.01 0.08 0.01 0.00 -0.47 0.00 0.00 55.73 55.34 3nfm s ARG 101 Cb 0.11 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.93 3nfm s ARG 101 CO 0.55 -0.28 -0.17 0.21 -1.08 0.00 0.00 175.30 174.53 3nfm s LYS 102 N -1.28 2.64 -0.19 3.89 2.20 -1.26 -0.84 119.74 124.90 3nfm s LYS 102 Ca -0.12 -0.70 -0.09 0.00 -0.36 0.00 0.00 55.97 54.71 3nfm s LYS 102 Cb -0.02 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.96 3nfm s LYS 102 CO 0.08 -0.18 0.10 0.42 -0.36 0.00 0.00 175.35 175.40 3nfm s ILE 103 N 1.28 5.09 -0.11 5.43 1.01 0.32 -4.94 121.20 129.28 3nfm s ILE 103 Ca 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3nfm s ILE 103 Cb -0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3nfm s ILE 103 CO -0.09 0.45 0.47 -0.89 0.00 0.00 0.00 174.94 174.87 3nfm s THR 104 N 0.38 5.18 0.88 2.92 2.01 -1.26 -1.51 115.64 124.23 3nfm s THR 104 Ca 0.05 0.94 -0.11 0.00 0.31 0.00 0.00 61.69 62.89 3nfm s THR 104 Cb -0.12 -3.81 0.12 0.00 0.01 0.00 0.00 72.50 68.70 3nfm s THR 104 CO -0.01 0.34 1.11 -0.76 -0.69 0.00 0.00 174.62 174.62 3nfm s LEU 105 N 0.52 2.71 0.00 4.42 1.43 0.74 -4.87 118.68 123.63 3nfm s LEU 105 Ca 0.26 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3nfm s LEU 105 Cb -0.15 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 41.67 3nfm s LEU 105 CO 0.10 -2.74 0.84 -0.81 0.23 0.00 0.00 176.35 173.98 3nfm n PRO 106 N -3.98 0.91 -3.59 1.29 -0.04 -1.26 -3.86 135.00 124.47 3nfm n PRO 106 Ca 0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 3nfm n PRO 106 Cb 0.53 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 3nfm n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3nfm s TYR 107 N -1.84 -0.67 1.01 0.54 -0.85 -1.26 -4.94 117.35 109.34 3nfm s TYR 107 Ca 0.00 1.43 -0.14 0.00 -0.52 0.00 0.00 57.07 57.84 3nfm s TYR 107 Cb 0.00 0.35 0.19 0.00 0.38 0.00 0.00 41.96 42.88 3nfm s TYR 107 CO 0.00 -0.44 1.14 -1.54 -1.52 0.00 0.00 175.55 173.19 3nfm s SER 108 N -0.34 2.62 0.00 -0.18 1.04 -1.20 -2.27 113.70 113.36 3nfm s SER 108 Ca -0.04 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.27 3nfm s SER 108 Cb -0.03 -1.30 0.19 0.00 0.10 0.00 0.00 66.02 64.98 3nfm s SER 108 CO 0.03 -3.09 1.02 0.61 0.98 0.00 0.00 173.24 172.80 3nfm n GLY 109 N -1.84 -0.90 3.77 7.32 0.00 -1.26 -4.50 105.19 107.78 3nfm n GLY 109 Ca 0.09 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3nfm n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nfm s ASN 110 N -1.20 6.51 0.39 1.61 2.47 -1.26 -4.89 114.94 118.57 3nfm s ASN 110 Ca 0.05 2.45 0.10 0.00 0.42 0.00 0.00 52.86 55.88 3nfm s ASN 110 Cb 0.02 -2.62 0.88 0.00 -1.45 0.00 0.00 41.25 38.08 3nfm s ASN 110 CO 0.04 -0.69 1.92 1.88 -3.72 0.00 0.00 177.10 176.53 3nfm h TYR 111 N 2.76 0.67 0.30 0.43 0.05 -1.99 -1.09 116.97 118.11 3nfm h TYR 111 Ca -0.49 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 3nfm h TYR 111 Cb 1.24 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.76 3nfm h TYR 111 CO 0.55 0.29 -0.14 0.93 -1.05 0.00 0.00 178.16 178.74 3nfm h GLU 112 N 0.61 -0.39 -0.81 4.88 5.08 -1.97 -1.66 114.58 120.32 3nfm h GLU 112 Ca 0.36 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3nfm h GLU 112 Cb 0.58 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3nfm h GLU 112 CO -0.13 -0.10 0.46 0.00 -1.00 0.00 0.00 179.01 178.23 3nfm h ARG 113 N -0.67 1.12 -0.45 2.33 2.47 -1.80 -2.65 114.38 114.73 3nfm h ARG 113 Ca -0.04 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.50 3nfm h ARG 113 Cb 0.47 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 3nfm h ARG 113 CO 0.07 0.81 0.01 -0.07 0.56 0.00 0.00 179.97 181.35 3nfm h LEU 114 N 1.13 0.69 -0.41 3.04 3.38 -1.18 -2.22 115.31 119.74 3nfm h LEU 114 Ca 0.29 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 3nfm h LEU 114 Cb 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3nfm h LEU 114 CO -0.05 0.75 -0.54 1.56 0.09 0.00 0.00 178.44 180.25 3nfm h GLN 115 N 0.68 0.72 -0.04 1.13 4.20 -1.07 -0.70 115.11 120.03 3nfm h GLN 115 Ca 0.14 -0.46 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 3nfm h GLN 115 Cb 0.40 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3nfm h GLN 115 CO 0.01 1.08 0.02 0.82 -0.67 0.00 0.00 178.83 180.09 3nfm h ILE 116 N 0.56 1.14 -0.95 2.54 1.08 -1.31 0.28 117.51 120.85 3nfm h ILE 116 Ca 0.01 -0.41 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 3nfm h ILE 116 Cb 1.12 1.34 -0.06 0.00 -3.07 0.00 0.00 36.82 36.15 3nfm h ILE 116 CO 0.11 0.11 0.62 0.00 -0.69 0.00 0.00 178.15 178.30 3nfm h ALA 117 N 0.85 1.41 0.00 1.87 0.00 -1.38 -2.04 119.26 119.97 3nfm h ALA 117 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nfm h ALA 117 Cb 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3nfm h ALA 117 CO -0.00 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3nfm h ALA 118 N 1.45 1.00 0.00 0.00 0.00 -0.64 -3.44 119.26 117.63 3nfm h ALA 118 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3nfm h ALA 118 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3nfm h ALA 118 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3nfm n GLY 119 N 0.94 0.53 3.51 0.00 0.00 0.95 -4.91 105.19 106.21 3nfm n GLY 119 Ca 0.04 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3nfm n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3nfm s LYS 120 N -0.19 1.07 1.03 1.61 -2.85 -1.05 -5.04 119.74 114.32 3nfm s LYS 120 Ca 0.00 0.21 -0.17 0.00 -1.00 0.00 0.00 55.97 55.01 3nfm s LYS 120 Cb 0.00 0.50 0.23 0.00 -2.06 0.00 0.00 37.83 36.50 3nfm s LYS 120 CO 0.00 -0.34 1.26 -1.25 0.10 0.00 0.00 175.35 175.12 3nfm s PRO 121 N -1.35 0.08 0.27 1.78 0.04 -1.26 -4.60 135.00 129.95 3nfm s PRO 121 Ca -0.10 -0.32 0.05 0.00 0.04 0.00 0.00 61.00 60.67 3nfm s PRO 121 Cb -0.00 -1.77 0.36 0.00 0.04 0.00 0.00 34.50 33.13 3nfm s PRO 121 CO 0.08 -2.81 1.64 0.00 0.04 0.00 0.00 177.00 175.96 3nfm h ARG 122 N -1.92 0.26 -0.70 4.56 3.08 -1.95 -3.05 114.38 114.66 3nfm h ARG 122 Ca -0.44 -0.14 0.20 0.00 0.07 0.00 0.00 59.98 59.67 3nfm h ARG 122 Cb 1.25 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3nfm h ARG 122 CO 0.36 0.69 0.78 0.93 -1.07 0.00 0.00 179.97 181.66 3nfm h GLU 123 N 0.21 0.00 -0.34 0.04 3.07 -1.92 0.66 114.58 116.30 3nfm h GLU 123 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3nfm h GLU 123 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3nfm h GLU 123 CO 0.08 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.32 3nfm n LYS 124 N -3.52 2.41 -3.63 2.33 5.02 -1.15 -4.69 118.16 114.93 3nfm n LYS 124 Ca 0.15 -2.00 -0.38 0.00 -2.02 0.00 0.00 58.31 54.05 3nfm n LYS 124 Cb 1.02 -1.33 -0.11 0.00 -0.02 0.00 0.00 35.03 34.59 3nfm n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3nfm s ILE 125 N -1.04 4.86 0.32 -0.18 1.01 0.23 -4.97 121.20 121.44 3nfm s ILE 125 Ca 0.27 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 3nfm s ILE 125 Cb 0.15 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 39.09 3nfm s ILE 125 CO 0.20 0.13 1.41 -2.84 0.00 0.00 0.00 174.94 173.84 3nfm s PRO 126 N 1.67 4.24 0.46 2.79 0.02 -1.26 -4.25 135.00 138.67 3nfm s PRO 126 Ca 0.06 2.37 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3nfm s PRO 126 Cb -0.17 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 3nfm s PRO 126 CO 0.08 -0.38 0.05 0.96 -0.33 0.00 0.00 177.00 177.38 3nfm s ILE 127 N -0.79 1.00 0.00 2.83 -4.36 -0.54 -4.78 121.20 114.57 3nfm s ILE 127 Ca 0.54 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3nfm s ILE 127 Cb -0.43 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 40.98 3nfm s ILE 127 CO 0.53 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.32 3nfm n GLY 128 N -1.09 2.49 0.31 6.27 0.00 -1.26 -1.16 105.19 110.75 3nfm n GLY 128 Ca -0.13 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 3nfm n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3nfm h LEU 129 N 0.00 0.96 -0.24 0.99 3.38 -1.74 0.88 115.31 119.54 3nfm h LEU 129 Ca 0.00 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3nfm h LEU 129 Cb 0.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3nfm h LEU 129 CO 0.00 0.81 0.06 -0.65 0.09 0.00 0.00 178.44 178.74 3nfm h PRO 130 N 1.04 0.15 -0.87 1.13 0.11 -1.76 0.24 132.00 132.04 3nfm h PRO 130 Ca 0.26 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.42 3nfm h PRO 130 Cb 0.09 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.11 3nfm h PRO 130 CO -0.04 0.10 0.56 0.00 -0.21 0.00 0.00 178.00 178.42 3nfm h ALA 131 N 1.17 1.56 0.00 -0.75 0.00 -1.70 0.33 119.26 119.86 3nfm h ALA 131 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3nfm h ALA 131 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3nfm h ALA 131 CO -0.13 0.31 -0.28 1.25 0.00 0.00 0.00 179.25 180.40 3nfm h LEU 132 N 0.97 0.00 -0.65 0.00 5.85 0.64 -1.21 115.31 120.90 3nfm h LEU 132 Ca 0.37 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 3nfm h LEU 132 Cb 0.22 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3nfm h LEU 132 CO -0.14 0.28 -0.65 -0.78 -0.34 0.00 0.00 178.44 176.82 3nfm h ASP 133 N 0.00 0.00 -0.29 1.25 3.58 0.29 -2.21 116.42 119.04 3nfm h ASP 133 Ca -0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 3nfm h ASP 133 Cb 0.55 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3nfm h ASP 133 CO 0.04 0.65 -0.23 0.74 -2.88 0.00 0.00 179.24 177.55 3nfm h THR 134 N 0.00 1.30 0.37 2.25 2.02 -0.66 -2.90 112.91 115.29 3nfm h THR 134 Ca -0.01 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 3nfm h THR 134 Cb 1.18 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 3nfm h THR 134 CO 0.08 0.44 -0.33 0.00 0.37 0.00 0.00 175.52 176.08 3nfm h ALA 135 N 0.72 -0.73 -0.64 6.16 0.00 -1.10 0.28 119.26 123.95 3nfm h ALA 135 Ca 0.05 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3nfm h ALA 135 Cb 0.78 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 3nfm h ALA 135 CO 0.06 -0.94 -0.43 0.82 0.00 0.00 0.00 179.25 178.76 3nfm h ILE 136 N -0.71 0.08 -0.19 0.00 2.04 -1.42 -1.26 117.51 116.05 3nfm h ILE 136 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3nfm h ILE 136 Cb 0.63 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3nfm h ILE 136 CO -0.04 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.24 3nfm h SER 137 N -0.19 -0.49 -0.83 1.72 0.02 -1.23 -2.67 113.55 109.89 3nfm h SER 137 Ca 0.20 0.10 0.15 0.00 -0.84 0.00 0.00 61.79 61.40 3nfm h SER 137 Cb 0.56 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.24 3nfm h SER 137 CO -0.73 -0.19 0.40 0.74 -1.14 0.00 0.00 176.83 175.91 3nfm h THR 138 N -0.16 0.69 0.00 -2.27 2.02 0.67 -2.01 112.91 111.85 3nfm h THR 138 Ca 0.11 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3nfm h THR 138 Cb 0.33 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3nfm h THR 138 CO -0.28 0.10 0.00 -0.07 0.37 0.00 0.00 175.52 175.64 3nfm h LEU 139 N 0.56 0.00 -1.56 2.58 3.38 -1.02 -2.89 115.31 116.36 3nfm h LEU 139 Ca 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 3nfm h LEU 139 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3nfm h LEU 139 CO -0.38 0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 178.00 3nfm h LEU 140 N 0.00 0.00 -7.29 1.67 3.38 -1.13 -3.38 115.31 108.56 3nfm h LEU 140 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3nfm h LEU 140 Cb 0.57 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.93 3nfm h LEU 140 CO 0.00 0.07 -0.77 -1.00 0.09 0.00 0.00 178.44 176.84 3nfm s HIS 141 N -3.77 1.36 -0.24 1.13 3.76 -1.09 -4.88 115.29 111.56 3nfm s HIS 141 Ca -0.00 -1.19 -0.42 0.00 -0.15 0.00 0.00 55.06 53.30 3nfm s HIS 141 Cb 0.10 -1.26 -0.18 0.00 1.11 0.00 0.00 32.58 32.35 3nfm s HIS 141 CO 0.56 -0.70 1.52 0.98 -0.85 0.00 0.00 174.74 176.25 3nfm n TYR 142 N 4.95 1.64 -3.57 1.40 9.36 -1.26 -4.89 117.16 124.79 3nfm n TYR 142 Ca -0.08 0.83 -0.02 0.00 3.32 0.00 0.00 57.90 61.95 3nfm n TYR 142 Cb 0.45 -2.30 -0.05 0.00 -0.63 0.00 0.00 39.34 36.81 3nfm n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3nfm s ASP 143 N 2.29 -0.92 0.14 2.98 -1.08 -1.26 -5.07 116.67 113.74 3nfm s ASP 143 Ca 0.97 1.29 -0.12 0.00 -0.52 0.00 0.00 52.55 54.17 3nfm s ASP 143 Cb -1.22 2.03 -0.02 0.00 -1.46 0.00 0.00 42.92 42.25 3nfm s ASP 143 CO 0.66 -0.23 1.53 0.77 0.52 0.00 0.00 175.17 178.42 3nfm h SER 144 N 8.05 0.90 -0.13 -0.34 4.64 -1.98 -0.62 113.55 124.06 3nfm h SER 144 Ca -0.18 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 60.69 3nfm h SER 144 Cb 1.11 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3nfm h SER 144 CO 0.13 1.08 -0.15 0.74 -0.87 0.00 0.00 176.83 177.76 3nfm h THR 145 N 0.70 1.35 -0.07 2.95 2.02 -1.98 -2.06 112.91 115.83 3nfm h THR 145 Ca 0.10 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 3nfm h THR 145 Cb 0.72 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 3nfm h THR 145 CO 0.05 0.39 -0.22 0.00 0.37 0.00 0.00 175.52 176.11 3nfm h ALA 146 N 0.59 1.50 -0.25 6.16 0.00 -1.91 -2.30 119.26 123.05 3nfm h ALA 146 Ca 0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3nfm h ALA 146 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3nfm h ALA 146 CO 0.04 0.36 -0.40 0.00 0.00 0.00 0.00 179.25 179.25 3nfm h ALA 147 N 1.67 0.83 -0.47 0.00 0.00 -1.00 -0.44 119.26 119.84 3nfm h ALA 147 Ca 0.02 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3nfm h ALA 147 Cb 0.46 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3nfm h ALA 147 CO 0.03 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.05 3nfm h ALA 148 N 1.08 0.54 0.00 0.00 0.00 -0.78 0.33 119.26 120.43 3nfm h ALA 148 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3nfm h ALA 148 Cb 0.91 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3nfm h ALA 148 CO 0.08 -0.28 -0.00 0.78 0.00 0.00 0.00 179.25 179.83 3nfm h GLY 149 N 0.27 -0.00 1.01 0.00 0.00 -1.41 -2.54 103.07 100.39 3nfm h GLY 149 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.63 3nfm h GLY 149 CO -0.27 -0.00 0.49 0.00 0.00 0.00 0.00 176.54 176.75 3nfm h ALA 150 N 0.70 1.70 -0.15 3.60 0.00 -0.69 -1.93 119.26 122.49 3nfm h ALA 150 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3nfm h ALA 150 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3nfm h ALA 150 CO 0.00 0.18 -0.45 -0.07 0.00 0.00 0.00 179.25 178.91 3nfm h LEU 151 N 0.76 0.39 -0.96 0.00 3.38 -0.23 0.11 115.31 118.76 3nfm h LEU 151 Ca 0.32 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 3nfm h LEU 151 Cb 0.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3nfm h LEU 151 CO -0.11 0.79 -0.40 -0.07 0.09 0.00 0.00 178.44 178.74 3nfm h LEU 152 N 0.30 0.26 -0.12 1.67 3.38 -0.94 -0.33 115.31 119.54 3nfm h LEU 152 Ca 0.02 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3nfm h LEU 152 Cb 0.91 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3nfm h LEU 152 CO 0.08 0.64 -0.24 0.58 0.09 0.00 0.00 178.44 179.58 3nfm h VAL 153 N 0.21 1.38 -0.41 1.22 2.07 -1.06 -2.95 116.25 116.72 3nfm h VAL 153 Ca 0.02 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 3nfm h VAL 153 Cb 0.80 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3nfm h VAL 153 CO 0.06 0.44 0.22 0.25 0.02 0.00 0.00 177.57 178.57 3nfm h LEU 154 N -0.06 0.51 0.17 2.57 5.85 -0.47 0.00 115.31 123.88 3nfm h LEU 154 Ca 0.00 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3nfm h LEU 154 Cb 0.83 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3nfm h LEU 154 CO 0.05 0.45 -0.10 0.40 -0.34 0.00 0.00 178.44 178.90 3nfm h ILE 155 N 0.52 0.78 -0.54 4.05 1.08 -1.16 -2.22 117.51 120.03 3nfm h ILE 155 Ca 0.14 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3nfm h ILE 155 Cb 0.06 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3nfm h ILE 155 CO -0.02 0.00 0.23 1.56 -0.69 0.00 0.00 178.15 179.23 3nfm h GLN 156 N -0.26 0.79 -0.98 2.37 4.20 -1.43 0.20 115.11 120.00 3nfm h GLN 156 Ca -0.01 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 58.66 3nfm h GLN 156 Cb 0.22 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 3nfm h GLN 156 CO 0.01 0.68 0.63 1.79 -0.67 0.00 0.00 178.83 181.27 3nfm h THR 157 N 0.73 0.98 0.00 -0.54 1.35 -0.87 -3.14 112.91 111.41 3nfm h THR 157 Ca 0.18 -0.35 -0.14 0.00 -0.55 0.00 0.00 66.41 65.56 3nfm h THR 157 Cb 0.17 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.43 3nfm h THR 157 CO -0.02 0.19 -1.32 0.35 -0.25 0.00 0.00 175.52 174.47 3nfm n THR 158 N -4.56 0.71 0.20 6.82 -2.24 -0.84 -4.41 114.28 109.95 3nfm n THR 158 Ca 0.17 -0.05 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 3nfm n THR 158 Cb 0.30 -1.68 -0.04 0.00 -2.10 0.00 0.00 70.33 66.80 3nfm n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nfm h ALA 159 N -0.36 -0.58 -0.94 6.98 0.00 -0.80 -2.92 119.26 120.64 3nfm h ALA 159 Ca -0.20 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.68 3nfm h ALA 159 Cb 1.05 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3nfm h ALA 159 CO -0.12 -0.54 0.60 0.93 0.00 0.00 0.00 179.25 180.12 3nfm h GLU 160 N -1.13 0.93 -0.17 0.00 4.39 -1.61 0.08 114.58 117.07 3nfm h GLU 160 Ca -0.06 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 3nfm h GLU 160 Cb 0.44 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3nfm h GLU 160 CO 0.10 0.61 -0.33 0.00 -1.16 0.00 0.00 179.01 178.23 3nfm h ALA 161 N 1.54 1.12 -0.17 3.43 0.00 -1.68 0.41 119.26 123.91 3nfm h ALA 161 Ca 0.44 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3nfm h ALA 161 Cb 0.40 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3nfm h ALA 161 CO -0.20 0.56 -0.27 0.00 0.00 0.00 0.00 179.25 179.34 3nfm h ALA 162 N 1.36 0.27 -0.46 0.00 0.00 -1.04 -3.16 119.26 116.23 3nfm h ALA 162 Ca 0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3nfm h ALA 162 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3nfm h ALA 162 CO 0.06 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.61 3nfm h ARG 163 N 0.13 0.72 -4.65 0.00 3.08 -0.66 -3.41 114.38 109.59 3nfm h ARG 163 Ca 0.01 -0.17 -0.56 0.00 0.07 0.00 0.00 59.98 59.33 3nfm h ARG 163 Cb 0.85 -0.10 -0.35 0.00 0.08 0.00 0.00 29.97 30.46 3nfm h ARG 163 CO 0.06 0.71 -0.83 -0.06 -1.07 0.00 0.00 179.97 178.79 3nfm s PHE 164 N -5.05 1.80 0.25 3.04 0.08 0.14 0.23 117.98 118.47 3nfm s PHE 164 Ca -0.09 -0.81 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 3nfm s PHE 164 Cb 0.15 -1.32 0.32 0.00 -0.57 0.00 0.00 43.02 41.60 3nfm s PHE 164 CO 0.79 -0.43 1.89 -0.22 -0.10 0.00 0.00 175.22 177.16 3nfm h LYS 165 N 7.38 1.16 -0.82 0.44 3.64 -0.55 -2.07 116.57 125.75 3nfm h LYS 165 Ca -0.31 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.06 3nfm h LYS 165 Cb 1.17 -0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 3nfm h LYS 165 CO 0.48 0.77 0.50 -0.92 -2.27 0.00 0.00 179.45 178.01 3nfm h TYR 166 N 1.19 0.93 -0.50 1.91 3.20 -1.91 -1.25 116.97 120.54 3nfm h TYR 166 Ca 0.39 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.17 3nfm h TYR 166 Cb 0.03 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 3nfm h TYR 166 CO -0.01 0.48 -0.14 0.82 -1.64 0.00 0.00 178.16 177.67 3nfm h ILE 167 N 0.93 1.27 -0.85 1.81 1.08 -1.69 -0.88 117.51 119.18 3nfm h ILE 167 Ca 0.35 -1.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.56 3nfm h ILE 167 Cb 0.15 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 3nfm h ILE 167 CO -0.17 0.45 0.56 -0.08 -0.69 0.00 0.00 178.15 178.22 3nfm h GLU 168 N 0.85 1.09 -0.14 2.37 4.81 -0.97 -1.20 114.58 121.39 3nfm h GLU 168 Ca 0.13 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3nfm h GLU 168 Cb 0.69 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3nfm h GLU 168 CO 0.05 0.72 -0.01 1.96 -0.73 0.00 0.00 179.01 180.99 3nfm h GLN 169 N 1.12 0.25 -0.83 1.92 4.20 -0.75 -1.50 115.11 119.51 3nfm h GLN 169 Ca 0.32 -0.09 0.17 0.00 0.06 0.00 0.00 58.65 59.11 3nfm h GLN 169 Cb -0.08 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 27.58 3nfm h GLN 169 CO -0.08 0.51 0.37 1.96 -0.67 0.00 0.00 178.83 180.92 3nfm h GLN 170 N -0.04 0.47 -0.20 1.46 1.08 -0.44 0.82 115.11 118.26 3nfm h GLN 170 Ca 0.04 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 3nfm h GLN 170 Cb 0.41 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3nfm h GLN 170 CO 0.01 0.31 -0.38 0.82 -0.95 0.00 0.00 178.83 178.64 3nfm h ILE 171 N 0.48 1.30 -0.02 2.54 2.04 -0.97 -1.88 117.51 121.00 3nfm h ILE 171 Ca 0.48 -1.51 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 3nfm h ILE 171 Cb 0.78 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3nfm h ILE 171 CO -0.43 0.47 -0.34 1.56 0.00 0.00 0.00 178.15 179.40 3nfm h GLN 172 N 0.38 0.03 0.00 2.37 4.20 0.15 -0.40 115.11 121.84 3nfm h GLN 172 Ca 0.04 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3nfm h GLN 172 Cb 0.84 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3nfm h GLN 172 CO 0.07 0.37 -0.46 0.93 -0.67 0.00 0.00 178.83 179.08 3nfm h GLU 173 N 0.03 0.00 -0.78 1.46 5.08 -0.71 -2.95 114.58 116.71 3nfm h GLU 173 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3nfm h GLU 173 Cb 0.62 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 3nfm h GLU 173 CO 0.05 0.46 0.16 0.54 -1.00 0.00 0.00 179.01 179.21 3nfm n ARG 174 N -3.69 3.38 0.06 2.33 1.74 -0.20 -4.63 116.66 115.64 3nfm n ARG 174 Ca -0.01 -2.39 0.04 0.00 -0.77 0.00 0.00 57.85 54.72 3nfm n ARG 174 Cb 0.53 -2.04 0.45 0.00 -1.02 0.00 0.00 32.46 30.38 3nfm n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nfm h ALA 175 N 2.83 1.72 0.00 7.54 0.00 -1.26 -2.97 119.26 127.11 3nfm h ALA 175 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3nfm h ALA 175 Cb 1.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3nfm h ALA 175 CO 0.53 0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.68 3nfm n TYR 176 N -4.45 0.00 -3.60 0.00 4.01 -1.26 -4.26 117.16 107.59 3nfm n TYR 176 Ca 0.02 -0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 57.40 3nfm n TYR 176 Cb 0.10 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 3nfm n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3nfm s ARG 177 N -0.58 0.39 0.86 -0.72 3.52 -1.17 -4.97 118.95 116.29 3nfm s ARG 177 Ca 0.00 1.08 -0.12 0.00 -0.13 0.00 0.00 55.73 56.57 3nfm s ARG 177 Cb 0.00 0.39 0.11 0.00 -1.56 0.00 0.00 34.95 33.89 3nfm s ARG 177 CO 0.00 -0.29 1.10 -0.51 -0.81 0.00 0.00 175.30 174.78 3nfm s ASP 178 N 2.68 3.83 -0.21 -2.12 1.01 -1.26 -4.40 116.67 116.20 3nfm s ASP 178 Ca -0.00 1.38 -0.28 0.00 0.71 0.00 0.00 52.55 54.36 3nfm s ASP 178 Cb -0.12 -2.08 0.13 0.00 1.01 0.00 0.00 42.92 41.86 3nfm s ASP 178 CO -0.15 -2.40 1.03 -0.70 0.21 0.00 0.00 175.17 173.17 3nfm s GLU 179 N -5.03 0.53 0.58 8.23 2.12 -0.31 -4.87 118.70 119.95 3nfm s GLU 179 Ca 0.62 0.28 -0.20 0.00 0.36 0.00 0.00 54.97 56.03 3nfm s GLU 179 Cb -0.16 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.44 3nfm s GLU 179 CO 0.56 -0.14 1.27 0.14 -0.54 0.00 0.00 175.26 176.56 3nfm s VAL 180 N -0.66 2.34 0.44 3.70 -7.23 -1.26 -1.46 120.40 116.27 3nfm s VAL 180 Ca 0.00 0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 60.16 3nfm s VAL 180 Cb -0.02 -3.10 -0.08 0.00 0.56 0.00 0.00 36.38 33.74 3nfm s VAL 180 CO -0.02 -0.03 1.29 -2.16 -0.31 0.00 0.00 175.10 173.87 3nfm s PRO 181 N -3.14 3.79 0.74 4.82 0.04 -1.26 -4.87 135.00 135.12 3nfm s PRO 181 Ca 0.76 2.10 -0.14 0.00 0.04 0.00 0.00 61.00 63.76 3nfm s PRO 181 Cb -0.35 -2.61 0.05 0.00 0.04 0.00 0.00 34.50 31.62 3nfm s PRO 181 CO 0.40 -0.62 1.17 -1.54 0.04 0.00 0.00 177.00 176.44 3nfm s SER 182 N -0.88 4.26 0.57 6.66 1.04 -1.26 -4.85 113.70 119.24 3nfm s SER 182 Ca 0.61 2.22 0.34 0.00 0.48 0.00 0.00 55.95 59.60 3nfm s SER 182 Cb -0.37 -2.57 1.71 0.00 0.10 0.00 0.00 66.02 64.89 3nfm s SER 182 CO 0.46 -2.21 2.14 0.77 0.98 0.00 0.00 173.24 175.37 3nfm h SER 183 N -0.48 0.00 0.47 7.02 4.64 -1.94 -0.77 113.55 122.49 3nfm h SER 183 Ca -0.47 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 3nfm h SER 183 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3nfm h SER 183 CO 0.50 0.05 -0.55 0.00 -0.87 0.00 0.00 176.83 175.96 3nfm h ALA 184 N 1.95 1.03 -0.46 5.18 0.00 -1.82 -0.68 119.26 124.46 3nfm h ALA 184 Ca -0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3nfm h ALA 184 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nfm h ALA 184 CO 0.01 0.69 0.05 1.15 0.00 0.00 0.00 179.25 181.14 3nfm h THR 185 N 0.07 1.25 -0.35 0.00 2.02 -1.47 -0.84 112.91 113.58 3nfm h THR 185 Ca -0.00 -0.96 -0.11 0.00 0.77 0.00 0.00 66.41 66.11 3nfm h THR 185 Cb 0.99 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3nfm h THR 185 CO 0.08 0.34 -0.24 0.40 0.37 0.00 0.00 175.52 176.46 3nfm h ILE 186 N 0.64 1.27 0.23 3.11 2.04 -1.29 -2.36 117.51 121.15 3nfm h ILE 186 Ca 0.14 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3nfm h ILE 186 Cb 0.43 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3nfm h ILE 186 CO 0.01 0.44 -0.11 -1.28 0.00 0.00 0.00 178.15 177.21 3nfm h SER 187 N 0.61 -0.27 -0.30 1.72 0.87 -0.80 -1.22 113.55 114.15 3nfm h SER 187 Ca 0.08 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3nfm h SER 187 Cb 0.73 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 3nfm h SER 187 CO 0.06 -0.10 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.10 3nfm h LEU 188 N -0.42 -0.32 -0.61 2.23 3.38 -1.09 0.39 115.31 118.87 3nfm h LEU 188 Ca -0.03 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3nfm h LEU 188 Cb 0.32 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 3nfm h LEU 188 CO 0.05 -0.12 0.20 -0.33 0.09 0.00 0.00 178.44 178.34 3nfm h GLU 189 N -0.02 0.35 0.00 1.13 5.08 -1.32 -0.23 114.58 119.58 3nfm h GLU 189 Ca 0.15 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3nfm h GLU 189 Cb 0.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3nfm h GLU 189 CO -0.32 0.23 -0.39 -0.91 -1.00 0.00 0.00 179.01 176.62 3nfm h ASN 190 N 0.36 0.00 -0.03 1.42 2.35 0.10 -3.22 115.58 116.57 3nfm h ASN 190 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3nfm h ASN 190 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3nfm h ASN 190 CO -0.34 0.39 0.00 -1.20 -1.65 0.00 0.00 177.43 174.62 3nfm n SER 191 N -3.85 2.59 -0.11 5.81 7.64 0.12 -4.60 113.62 121.22 3nfm n SER 191 Ca -0.01 -1.86 -0.06 0.00 1.01 0.00 0.00 58.87 57.95 3nfm n SER 191 Cb 0.45 -0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 3nfm n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3nfm h TRP 192 N 4.05 -0.53 -0.13 1.43 7.01 -1.11 0.47 115.95 127.13 3nfm h TRP 192 Ca 0.00 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.08 3nfm h TRP 192 Cb 0.86 0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 28.18 3nfm h TRP 192 CO 0.00 -0.29 -0.06 1.03 -2.79 0.00 0.00 178.44 176.33 3nfm h SER 193 N -0.14 -0.20 -0.10 2.65 0.87 -1.84 0.15 113.55 114.94 3nfm h SER 193 Ca 0.19 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3nfm h SER 193 Cb 0.44 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3nfm h SER 193 CO -0.48 -0.08 0.05 1.23 -0.53 0.00 0.00 176.83 177.02 3nfm h GLY 194 N -0.05 0.15 1.00 5.77 0.00 -1.63 -0.13 103.07 108.18 3nfm h GLY 194 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3nfm h GLY 194 CO -0.16 0.07 0.15 1.41 0.00 0.00 0.00 176.54 178.01 3nfm h LEU 195 N 0.05 0.27 -0.25 3.11 3.38 0.02 0.22 115.31 122.12 3nfm h LEU 195 Ca 0.03 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3nfm h LEU 195 Cb 0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3nfm h LEU 195 CO -0.00 0.20 -0.25 0.28 0.09 0.00 0.00 178.44 178.75 3nfm h SER 196 N 0.32 -0.81 -0.73 -0.43 0.02 -0.45 0.38 113.55 111.85 3nfm h SER 196 Ca 0.09 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3nfm h SER 196 Cb -0.03 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 3nfm h SER 196 CO -0.02 -0.29 0.45 0.50 -1.14 0.00 0.00 176.83 176.33 3nfm h LYS 197 N -0.26 0.83 -0.02 3.45 3.64 -0.58 -2.64 116.57 121.00 3nfm h LYS 197 Ca 0.14 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3nfm h LYS 197 Cb 0.47 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3nfm h LYS 197 CO -0.39 0.55 -0.55 1.96 -2.27 0.00 0.00 179.45 178.75 3nfm h GLN 198 N 0.86 0.06 -0.23 1.90 1.08 0.07 -2.07 115.11 116.77 3nfm h GLN 198 Ca 0.30 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 3nfm h GLN 198 Cb 0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3nfm h GLN 198 CO -0.13 0.59 -0.17 0.82 -0.95 0.00 0.00 178.83 178.99 3nfm h ILE 199 N 0.04 1.23 0.07 2.54 1.08 0.06 -2.85 117.51 119.69 3nfm h ILE 199 Ca -0.00 -1.04 -0.25 0.00 -0.39 0.00 0.00 64.86 63.18 3nfm h ILE 199 Cb 0.98 1.24 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3nfm h ILE 199 CO 0.07 0.33 -1.13 1.56 -0.69 0.00 0.00 178.15 178.29 3nfm h GLN 200 N 0.37 0.18 0.00 2.37 4.20 -1.25 -3.28 115.11 117.70 3nfm h GLN 200 Ca 0.07 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 3nfm h GLN 200 Cb 0.51 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3nfm h GLN 200 CO 0.03 1.13 -0.22 -0.07 -0.67 0.00 0.00 178.83 179.02 3nfm h LEU 201 N 0.05 0.00 -1.09 1.46 3.38 -1.37 -2.80 115.31 114.95 3nfm h LEU 201 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3nfm h LEU 201 Cb 1.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 3nfm h LEU 201 CO 0.17 0.22 -0.27 0.00 0.09 0.00 0.00 178.44 178.65 3nfm h ALA 202 N 1.78 1.03 -0.85 1.53 0.00 -1.56 -3.23 119.26 117.96 3nfm h ALA 202 Ca -0.00 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 54.86 3nfm h ALA 202 Cb 0.90 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 3nfm h ALA 202 CO 0.03 0.34 -0.04 1.96 0.00 0.00 0.00 179.25 181.53 3nfm h GLN 203 N 0.00 0.05 -0.43 0.00 4.20 -1.58 0.20 115.11 117.54 3nfm h GLN 203 Ca -0.00 -0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 3nfm h GLN 203 Cb 0.78 -0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.43 3nfm h GLN 203 CO 0.04 0.03 0.04 0.41 -0.67 0.00 0.00 178.83 178.68 3nfm n GLY 204 N -1.48 4.65 1.17 3.46 0.00 -1.22 -4.38 105.19 107.39 3nfm n GLY 204 Ca 0.16 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 45.06 3nfm n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3nfm n ASN 205 N -0.98 1.18 -2.98 1.61 4.05 0.43 -4.98 115.26 113.59 3nfm n ASN 205 Ca 0.35 -2.56 -0.22 0.00 0.45 0.00 0.00 54.58 52.59 3nfm n ASN 205 Cb 1.11 -0.36 0.03 0.00 1.23 0.00 0.00 39.78 41.78 3nfm n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3nfm n ASN 206 N -0.02 -6.01 -0.06 1.20 3.02 -1.06 -1.90 115.26 110.42 3nfm n ASN 206 Ca 0.10 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.37 3nfm n ASN 206 Cb 0.99 -4.88 -0.00 0.00 -0.61 0.00 0.00 39.78 35.28 3nfm n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nfm n GLY 207 N -1.47 0.44 3.83 7.41 0.00 0.33 -4.98 105.19 110.76 3nfm n GLY 207 Ca -0.12 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3nfm n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nfm s VAL 208 N -1.82 5.13 0.27 1.61 1.01 -0.80 -1.30 120.40 124.50 3nfm s VAL 208 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 3nfm s VAL 208 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3nfm s VAL 208 CO 0.00 0.53 0.95 -0.36 0.00 0.00 0.00 175.10 176.22 3nfm s PHE 209 N -1.07 3.87 0.13 5.22 0.08 -0.34 -4.04 117.98 121.82 3nfm s PHE 209 Ca 0.18 1.86 -0.12 0.00 0.12 0.00 0.00 56.93 58.98 3nfm s PHE 209 Cb -0.12 -2.99 -0.06 0.00 -0.57 0.00 0.00 43.02 39.28 3nfm s PHE 209 CO 0.08 0.30 1.45 0.00 -0.10 0.00 0.00 175.22 176.95 3nfm h ARG 210 N 3.84 0.90 -4.71 0.44 2.47 -1.89 -3.42 114.38 112.00 3nfm h ARG 210 Ca -0.46 -0.50 -0.52 0.00 -1.26 0.00 0.00 59.98 57.25 3nfm h ARG 210 Cb 1.20 0.03 -0.33 0.00 -1.65 0.00 0.00 29.97 29.22 3nfm h ARG 210 CO 0.67 1.15 -0.82 0.99 0.56 0.00 0.00 179.97 182.52 3nfm s THR 211 N -4.31 1.17 0.92 2.04 2.01 -1.26 -5.14 115.64 111.07 3nfm s THR 211 Ca -0.11 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 3nfm s THR 211 Cb 0.10 -1.05 0.14 0.00 0.01 0.00 0.00 72.50 71.70 3nfm s THR 211 CO 0.88 0.36 1.09 -2.84 -0.69 0.00 0.00 174.62 173.42 3nfm s PRO 212 N 0.49 1.08 -0.10 4.92 0.02 -1.26 -4.96 135.00 135.19 3nfm s PRO 212 Ca -0.11 0.97 0.04 0.00 0.02 0.00 0.00 61.00 61.92 3nfm s PRO 212 Cb -0.14 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.60 3nfm s PRO 212 CO 0.03 -2.41 -0.23 0.99 -0.33 0.00 0.00 177.00 175.06 3nfm s THR 213 N -2.83 1.98 -0.14 0.99 2.01 -0.68 -4.95 115.64 112.02 3nfm s THR 213 Ca 0.64 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 61.49 3nfm s THR 213 Cb -0.19 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3nfm s THR 213 CO 0.58 0.54 0.49 -0.69 -0.69 0.00 0.00 174.62 174.85 3nfm s VAL 214 N 0.41 5.16 0.28 3.82 1.01 -1.26 -0.90 120.40 128.93 3nfm s VAL 214 Ca -0.17 0.96 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3nfm s VAL 214 Cb -0.18 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3nfm s VAL 214 CO 0.08 0.28 0.01 -0.76 0.00 0.00 0.00 175.10 174.71 3nfm s LEU 215 N 0.93 2.24 -0.07 3.92 1.43 0.19 -5.00 118.68 122.32 3nfm s LEU 215 Ca 0.26 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.10 3nfm s LEU 215 Cb -0.15 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 3nfm s LEU 215 CO 0.10 -0.52 -0.15 -0.69 0.23 0.00 0.00 176.35 175.32 3nfm s VAL 216 N -3.28 2.94 0.58 -1.59 1.01 -1.26 -0.59 120.40 118.20 3nfm s VAL 216 Ca 0.32 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.65 3nfm s VAL 216 Cb 0.07 -2.16 0.10 0.00 0.00 0.00 0.00 36.38 34.38 3nfm s VAL 216 CO 0.13 0.57 0.80 -0.90 0.00 0.00 0.00 175.10 175.70 3nfm n ASP 217 N 2.66 2.10 -0.28 3.32 5.68 0.25 -4.50 116.55 125.78 3nfm n ASP 217 Ca -0.17 -2.53 0.08 0.00 -0.50 0.00 0.00 54.79 51.66 3nfm n ASP 217 Cb 0.52 -0.42 0.20 0.00 -1.14 0.00 0.00 41.12 40.28 3nfm n ASP 217 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3nfm h SER 218 N 0.09 -0.30 0.96 -1.12 0.02 -1.99 -0.06 113.55 111.16 3nfm h SER 218 Ca -0.27 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3nfm h SER 218 Cb 1.24 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3nfm h SER 218 CO 0.39 -0.20 0.00 1.17 -1.14 0.00 0.00 176.83 177.05 3nfm n LYS 219 N -5.34 0.21 0.00 3.45 3.00 -1.26 -4.87 118.16 113.35 3nfm n LYS 219 Ca 0.16 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 3nfm n LYS 219 Cb 0.55 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 33.74 3nfm n LYS 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3nfm n GLY 220 N 0.42 0.92 3.82 3.14 0.00 -0.04 -5.09 105.19 108.38 3nfm n GLY 220 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3nfm n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nfm s ASN 221 N -2.17 6.96 -0.30 1.61 0.01 -1.26 -4.76 114.94 115.04 3nfm s ASN 221 Ca 0.00 1.15 -0.29 0.00 -0.71 0.00 0.00 52.86 53.01 3nfm s ASN 221 Cb 0.00 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.36 3nfm s ASN 221 CO 0.00 0.28 1.09 -0.60 -1.51 0.00 0.00 177.10 176.35 3nfm s ARG 222 N -1.18 4.09 0.24 -0.60 3.52 -1.26 -0.59 118.95 123.17 3nfm s ARG 222 Ca 0.28 1.14 0.11 0.00 -0.13 0.00 0.00 55.73 57.12 3nfm s ARG 222 Cb -0.18 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 3nfm s ARG 222 CO 0.17 -0.87 -0.13 0.54 -0.81 0.00 0.00 175.30 174.20 3nfm s VAL 223 N 3.63 2.87 -0.12 7.11 0.11 0.24 -4.97 120.40 129.27 3nfm s VAL 223 Ca 0.46 -2.05 -0.01 0.00 -2.93 0.00 0.00 61.98 57.46 3nfm s VAL 223 Cb -0.13 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 3nfm s VAL 223 CO 0.14 -0.28 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.44 3nfm s GLN 224 N -3.25 3.28 -0.28 1.54 -0.21 -1.26 -0.64 119.66 118.84 3nfm s GLN 224 Ca 0.28 -0.63 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 3nfm s GLN 224 Cb -0.07 -2.67 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 3nfm s GLN 224 CO 0.15 0.33 0.12 0.42 -2.12 0.00 0.00 175.29 174.19 3nfm s ILE 225 N 0.08 4.61 -0.10 1.08 -1.09 -0.08 -4.94 121.20 120.75 3nfm s ILE 225 Ca -0.04 -0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.20 3nfm s ILE 225 Cb -0.14 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3nfm s ILE 225 CO 0.04 0.22 0.09 0.35 -1.23 0.00 0.00 174.94 174.41 3nfm n THR 226 N 4.97 0.00 -4.02 2.92 -2.24 -1.26 -1.69 114.28 112.95 3nfm n THR 226 Ca -0.15 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3nfm n THR 226 Cb 0.51 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3nfm n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3nfm s ASN 227 N -1.23 0.00 0.35 3.42 2.20 -1.26 -1.20 114.94 117.21 3nfm s ASN 227 Ca 0.01 -1.02 0.24 0.00 -0.94 0.00 0.00 52.86 51.15 3nfm s ASN 227 Cb 0.02 0.57 1.26 0.00 -2.00 0.00 0.00 41.25 41.10 3nfm s ASN 227 CO 0.09 -1.13 1.73 -0.37 -2.94 0.00 0.00 177.10 174.48 3nfm h VAL 228 N 2.28 0.00 0.00 3.54 -1.51 -1.57 -3.13 116.25 115.86 3nfm h VAL 228 Ca -0.27 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 3nfm h VAL 228 Cb 1.25 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 3nfm h VAL 228 CO 0.37 0.00 0.00 0.71 -1.23 0.00 0.00 177.57 177.42 3nfm h THR 229 N 0.00 0.00 -3.52 7.19 1.35 -1.97 -3.36 112.91 112.60 3nfm h THR 229 Ca 0.00 -0.55 -0.55 0.00 -0.55 0.00 0.00 66.41 64.76 3nfm h THR 229 Cb 0.04 1.49 0.19 0.00 -1.73 0.00 0.00 68.15 68.14 3nfm h THR 229 CO 0.00 0.00 -0.27 -0.24 -0.25 0.00 0.00 175.52 174.76 3nfm n SER 230 N -2.66 -0.91 0.21 5.36 2.88 -1.19 -4.70 113.62 112.62 3nfm n SER 230 Ca 0.03 0.51 0.06 0.00 -1.33 0.00 0.00 58.87 58.15 3nfm n SER 230 Cb 0.38 -1.29 0.47 0.00 -0.75 0.00 0.00 64.21 63.02 3nfm n SER 230 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3nfm h ASN 231 N -0.87 0.00 -0.89 -3.46 2.35 -1.94 -1.58 115.58 109.21 3nfm h ASN 231 Ca -0.45 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.35 3nfm h ASN 231 Cb 1.32 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.63 3nfm h ASN 231 CO 0.41 0.28 0.58 0.58 -1.65 0.00 0.00 177.43 177.63 3nfm h VAL 232 N 0.00 1.11 0.09 2.81 2.07 -1.93 -0.26 116.25 120.14 3nfm h VAL 232 Ca -0.00 -0.36 -0.35 0.00 0.82 0.00 0.00 66.70 66.80 3nfm h VAL 232 Cb 0.59 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3nfm h VAL 232 CO 0.04 0.19 -1.98 0.52 0.02 0.00 0.00 177.57 176.37 3nfm n VAL 233 N -4.46 1.73 -0.06 2.57 0.31 -1.00 -1.28 118.33 116.14 3nfm n VAL 233 Ca 0.12 -0.68 -0.15 0.00 -0.01 0.00 0.00 64.34 63.62 3nfm n VAL 233 Cb 0.15 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 3nfm n VAL 233 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3nfm h THR 234 N 0.05 1.31 0.00 2.52 1.35 -1.21 -3.43 112.91 113.50 3nfm h THR 234 Ca -0.41 -1.70 -0.07 0.00 -0.55 0.00 0.00 66.41 63.69 3nfm h THR 234 Cb 2.03 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 70.28 3nfm h THR 234 CO 0.08 0.53 -0.85 -1.20 -0.25 0.00 0.00 175.52 173.83 3nfm n SER 235 N -4.16 1.27 0.09 5.36 7.64 -0.16 -4.99 113.62 118.67 3nfm n SER 235 Ca -0.06 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.94 3nfm n SER 235 Cb 0.58 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 3nfm n SER 235 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3nfm h ASN 236 N -0.43 -0.72 -3.43 6.43 -0.73 -1.41 -3.44 115.58 111.83 3nfm h ASN 236 Ca -0.10 0.07 -0.52 0.00 1.87 0.00 0.00 56.30 57.61 3nfm h ASN 236 Cb 0.71 0.25 0.05 0.00 0.27 0.00 0.00 38.32 39.60 3nfm h ASN 236 CO -0.06 -0.29 0.69 -0.51 -0.37 0.00 0.00 177.43 176.89 3nfm s ILE 237 N -4.34 2.94 -0.22 2.57 2.07 -0.40 0.07 121.20 123.88 3nfm s ILE 237 Ca -0.08 0.79 0.02 0.00 -1.41 0.00 0.00 60.65 59.97 3nfm s ILE 237 Cb 0.02 -3.51 0.01 0.00 0.13 0.00 0.00 42.46 39.12 3nfm s ILE 237 CO 0.29 0.13 0.49 0.00 -1.91 0.00 0.00 174.94 173.93 3nfm n GLN 238 N 2.32 0.41 -3.66 3.50 1.13 0.14 -4.88 117.38 116.34 3nfm n GLN 238 Ca 0.06 -0.52 -0.15 0.00 -1.94 0.00 0.00 57.00 54.45 3nfm n GLN 238 Cb 0.42 -0.97 -0.08 0.00 0.11 0.00 0.00 30.24 29.72 3nfm n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3nfm s LEU 239 N -0.47 0.10 -0.06 1.08 1.43 -1.25 -4.33 118.68 115.19 3nfm s LEU 239 Ca 0.02 0.57 0.05 0.00 -1.03 0.00 0.00 54.13 53.73 3nfm s LEU 239 Cb 0.02 1.85 -0.00 0.00 0.03 0.00 0.00 46.19 48.08 3nfm s LEU 239 CO 0.03 -0.43 -0.20 -0.76 0.23 0.00 0.00 176.35 175.22 3nfm s LEU 240 N -0.84 1.96 -0.14 1.79 1.43 -0.63 -4.93 118.68 117.32 3nfm s LEU 240 Ca -0.09 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 3nfm s LEU 240 Cb -0.03 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3nfm s LEU 240 CO 0.05 0.17 1.09 -0.22 0.23 0.00 0.00 176.35 177.67 3nfm s LEU 241 N 0.09 4.20 0.26 1.79 2.96 -1.26 -1.40 118.68 125.32 3nfm s LEU 241 Ca -0.07 1.57 -0.31 0.00 -0.22 0.00 0.00 54.13 55.10 3nfm s LEU 241 Cb -0.14 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.89 3nfm s LEU 241 CO 0.04 -0.58 1.64 0.21 -1.32 0.00 0.00 176.35 176.34 3nfm s ASN 242 N 1.32 6.37 0.38 3.68 3.84 -1.26 -4.50 114.94 124.77 3nfm s ASN 242 Ca 0.50 2.93 0.26 0.00 0.21 0.00 0.00 52.86 56.75 3nfm s ASN 242 Cb -0.19 -2.62 1.35 0.00 -0.55 0.00 0.00 41.25 39.24 3nfm s ASN 242 CO 0.15 -0.94 1.80 0.71 -2.79 0.00 0.00 177.10 176.04 3nfm h THR 243 N 3.53 0.00 0.00 -5.21 1.35 -1.93 0.15 112.91 110.80 3nfm h THR 243 Ca -0.46 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3nfm h THR 243 Cb 1.21 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3nfm h THR 243 CO 0.85 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 176.23 3nfm h LYS 244 N 0.00 0.00 -0.39 4.72 1.57 -1.95 -1.77 116.57 118.75 3nfm h LYS 244 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nfm h LYS 244 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3nfm h LYS 244 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 3nfm n ASN 245 N -2.96 3.07 -0.61 0.86 4.13 0.51 -5.12 115.26 115.15 3nfm n ASN 245 Ca -0.01 -1.94 0.08 0.00 1.68 0.00 0.00 54.58 54.39 3nfm n ASN 245 Cb 0.20 -0.26 0.06 0.00 -1.54 0.00 0.00 39.78 38.25 3nfm n ASN 245 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16