#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3njs s VAL 2 N 0.00 1.97 0.05 2.53 -7.23 -0.95 -5.04 120.40 111.73 3njs s VAL 2 Ca 0.00 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 3njs s VAL 2 Cb 0.00 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.06 3njs s VAL 2 CO 0.00 -0.15 0.00 -0.44 -0.31 0.00 0.00 175.10 174.20 3njs s SER 3 N -2.39 0.37 -0.17 4.85 0.01 -1.26 -1.17 113.70 113.94 3njs s SER 3 Ca 0.14 -0.81 -0.15 0.00 1.31 0.00 0.00 55.95 56.44 3njs s SER 3 Cb -0.08 0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.39 3njs s SER 3 CO 0.07 -0.54 0.44 0.12 0.41 0.00 0.00 173.24 173.74 3njs s PHE 4 N -3.26 -0.49 -0.06 2.43 5.36 -0.96 -4.81 117.98 116.19 3njs s PHE 4 Ca 0.01 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.21 3njs s PHE 4 Cb 0.03 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 3njs s PHE 4 CO -0.08 -0.24 -0.17 1.03 -1.46 0.00 0.00 175.22 174.30 3njs s ARG 5 N 0.28 1.99 0.20 10.12 0.52 -1.26 -2.05 118.95 128.75 3njs s ARG 5 Ca -0.00 -0.62 0.25 0.00 -0.52 0.00 0.00 55.73 54.84 3njs s ARG 5 Cb -0.03 -1.66 0.56 0.00 0.52 0.00 0.00 34.95 34.34 3njs s ARG 5 CO 0.00 0.19 1.57 -0.07 0.02 0.00 0.00 175.30 177.01 3njs h LEU 6 N 6.47 0.00 -9.16 2.53 4.07 -1.59 -3.36 115.31 114.26 3njs h LEU 6 Ca -0.30 -0.08 -0.56 0.00 0.08 0.00 0.00 57.88 57.02 3njs h LEU 6 Cb 1.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 3njs h LEU 6 CO 0.48 0.04 1.01 -0.55 -1.08 0.00 0.00 178.44 178.34 3njs s SER 7 N -4.63 6.73 0.00 -0.43 0.15 -1.26 -2.18 113.70 112.08 3njs s SER 7 Ca 0.08 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.58 3njs s SER 7 Cb 0.12 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3njs s SER 7 CO 0.66 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3njs n GLY 8 N 4.02 0.77 3.77 9.45 0.00 -1.26 -5.00 105.19 116.93 3njs n GLY 8 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3njs n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3njs s ALA 9 N -3.11 3.34 0.34 4.61 0.00 -0.93 -4.97 121.76 121.03 3njs s ALA 9 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.07 3njs s ALA 9 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3njs s ALA 9 CO 0.00 -0.55 0.40 0.16 0.00 0.00 0.00 175.76 175.78 3njs s ASP 10 N -0.79 1.13 0.43 0.00 -4.77 -1.26 -5.02 116.67 106.38 3njs s ASP 10 Ca 0.52 -1.57 0.19 0.00 -3.30 0.00 0.00 52.55 48.39 3njs s ASP 10 Cb -0.35 0.62 1.12 0.00 -1.09 0.00 0.00 42.92 43.22 3njs s ASP 10 CO 0.46 -1.21 1.84 -0.65 0.70 0.00 0.00 175.17 176.31 3njs h PRO 11 N 2.13 0.36 0.54 2.11 0.11 -1.96 -2.13 132.00 133.16 3njs h PRO 11 Ca -0.27 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 3njs h PRO 11 Cb 1.24 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.27 3njs h PRO 11 CO 0.38 0.24 -0.26 1.03 -0.21 0.00 0.00 178.00 179.18 3njs h SER 12 N 0.37 -0.61 -0.34 -2.05 0.87 -1.97 -1.63 113.55 108.18 3njs h SER 12 Ca 0.49 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 61.08 3njs h SER 12 Cb 1.28 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 3njs h SER 12 CO -0.18 -0.40 0.23 0.77 -0.53 0.00 0.00 176.83 176.72 3njs h SER 13 N -0.80 0.36 -0.16 6.23 4.64 -1.89 -1.32 113.55 120.60 3njs h SER 13 Ca -0.07 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3njs h SER 13 Cb 0.55 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3njs h SER 13 CO 0.12 0.25 0.07 0.22 -0.87 0.00 0.00 176.83 176.63 3njs h TYR 14 N 0.42 0.24 -0.60 4.77 3.20 -1.40 0.37 116.97 123.98 3njs h TYR 14 Ca 0.13 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3njs h TYR 14 Cb 0.02 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3njs h TYR 14 CO -0.00 0.30 0.35 0.78 -1.64 0.00 0.00 178.16 177.95 3njs h GLY 15 N 0.12 0.85 0.98 1.82 0.00 -0.51 0.42 103.07 106.75 3njs h GLY 15 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3njs h GLY 15 CO -0.01 0.20 0.38 -0.33 0.00 0.00 0.00 176.54 176.78 3njs h MET 16 N 0.68 0.74 -0.46 4.80 2.86 -0.95 0.41 114.93 123.02 3njs h MET 16 Ca 0.25 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3njs h MET 16 Cb 0.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3njs h MET 16 CO -0.12 0.49 0.23 0.35 1.06 0.00 0.00 176.91 178.92 3njs h PHE 17 N 0.76 0.64 -0.56 -0.22 3.57 -0.42 0.31 116.94 121.03 3njs h PHE 17 Ca 0.22 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3njs h PHE 17 Cb -0.07 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3njs h PHE 17 CO -0.04 0.50 0.13 0.82 -2.23 0.00 0.00 178.31 177.50 3njs h ILE 18 N 0.60 1.23 -0.62 1.41 1.08 -0.31 0.25 117.51 121.16 3njs h ILE 18 Ca 0.16 -0.84 -0.00 0.00 -0.39 0.00 0.00 64.86 63.79 3njs h ILE 18 Cb 0.09 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.46 3njs h ILE 18 CO -0.02 0.31 0.38 0.50 -0.69 0.00 0.00 178.15 178.63 3njs h LYS 19 N 0.84 0.83 0.10 2.37 3.64 0.26 -1.55 116.57 123.05 3njs h LYS 19 Ca 0.18 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3njs h LYS 19 Cb 0.31 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3njs h LYS 19 CO -0.00 0.58 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.27 3njs h ASP 20 N 0.84 -0.12 -0.78 4.20 5.19 -0.14 -1.39 116.42 124.22 3njs h ASP 20 Ca 0.22 -0.13 0.18 0.00 -0.62 0.00 0.00 57.03 56.69 3njs h ASP 20 Cb -0.04 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 39.36 3njs h ASP 20 CO -0.04 0.06 0.03 0.25 -3.12 0.00 0.00 179.24 176.42 3njs h LEU 21 N -0.29 -0.31 -0.37 1.55 5.85 -0.24 0.58 115.31 122.08 3njs h LEU 21 Ca -0.01 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3njs h LEU 21 Cb 0.24 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3njs h LEU 21 CO 0.02 -0.18 0.12 0.03 -0.34 0.00 0.00 178.44 178.10 3njs h ARG 22 N 0.11 0.57 0.00 1.25 3.08 -1.02 -2.92 114.38 115.46 3njs h ARG 22 Ca 0.44 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 3njs h ARG 22 Cb 0.79 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3njs h ARG 22 CO -0.67 0.58 -0.02 -0.91 -1.07 0.00 0.00 179.97 177.87 3njs h ASN 23 N 0.45 0.00 1.18 7.04 -0.26 0.10 -2.75 115.58 121.34 3njs h ASN 23 Ca 0.12 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.79 3njs h ASN 23 Cb 0.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3njs h ASN 23 CO -0.01 0.02 -0.32 0.00 -1.06 0.00 0.00 177.43 176.07 3njs h ALA 24 N 1.98 0.90 -2.40 -0.83 0.00 -0.77 -3.44 119.26 114.70 3njs h ALA 24 Ca -0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 3njs h ALA 24 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3njs h ALA 24 CO 0.00 0.40 0.40 -0.51 0.00 0.00 0.00 179.25 179.54 3njs s LEU 25 N -6.67 4.36 0.53 0.00 1.43 -1.04 -5.03 118.68 112.26 3njs s LEU 25 Ca 0.02 1.67 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 3njs s LEU 25 Cb 0.09 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3njs s LEU 25 CO 0.68 -0.29 0.84 -2.16 0.23 0.00 0.00 176.35 175.65 3njs s PRO 26 N 1.11 3.29 -0.05 1.29 0.04 -1.26 -5.04 135.00 134.38 3njs s PRO 26 Ca 0.52 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 3njs s PRO 26 Cb -0.21 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.11 3njs s PRO 26 CO 0.27 -0.41 0.91 -3.38 0.04 0.00 0.00 177.00 174.42 3njs s HIS 27 N -2.85 -0.37 0.00 0.56 -3.43 -1.26 -4.06 115.29 103.88 3njs s HIS 27 Ca 0.50 0.37 0.00 0.00 -0.80 0.00 0.00 55.06 55.13 3njs s HIS 27 Cb -0.10 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 3njs s HIS 27 CO 0.45 -0.49 0.00 0.25 -2.00 0.00 0.00 174.74 172.95 3njs n THR 28 N 0.08 0.00 -4.08 -5.38 -2.24 -1.26 -5.02 114.28 96.38 3njs n THR 28 Ca -0.10 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.21 3njs n THR 28 Cb 0.60 0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 3njs n THR 28 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3njs s GLU 29 N -1.23 0.57 -0.05 -0.78 2.12 -1.26 -5.09 118.70 112.98 3njs s GLU 29 Ca 0.00 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 54.60 3njs s GLU 29 Cb 0.00 -0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.03 3njs s GLU 29 CO 0.00 0.06 -0.25 0.15 -0.54 0.00 0.00 175.26 174.68 3njs s LYS 30 N -1.64 2.49 -0.28 4.30 1.02 -1.26 -1.48 119.74 122.89 3njs s LYS 30 Ca -0.09 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 54.96 3njs s LYS 30 Cb -0.10 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.09 3njs s LYS 30 CO 0.01 0.41 -0.00 0.08 -0.92 0.00 0.00 175.35 174.92 3njs s VAL 31 N -0.23 3.23 -1.48 3.17 1.01 -0.34 -4.38 120.40 121.37 3njs s VAL 31 Ca -0.01 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 3njs s VAL 31 Cb -0.13 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3njs s VAL 31 CO 0.03 0.08 0.83 -1.22 0.00 0.00 0.00 175.10 174.83 3njs n TYR 32 N 4.72 -2.31 -1.02 5.22 4.01 -1.26 -1.64 117.16 124.87 3njs n TYR 32 Ca -0.15 0.72 -0.01 0.00 -0.16 0.00 0.00 57.90 58.30 3njs n TYR 32 Cb 0.46 -4.58 -0.00 0.00 -0.31 0.00 0.00 39.34 34.91 3njs n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3njs n ASN 33 N -2.71 -3.39 -4.33 7.72 5.15 -1.26 -5.01 115.26 111.43 3njs n ASN 33 Ca -0.05 0.02 -0.34 0.00 -0.60 0.00 0.00 54.58 53.60 3njs n ASN 33 Cb 0.59 -0.96 -0.14 0.00 -0.53 0.00 0.00 39.78 38.74 3njs n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3njs s ILE 34 N -1.93 3.31 0.12 -1.44 1.01 -0.65 -5.03 121.20 116.58 3njs s ILE 34 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 60.65 59.77 3njs s ILE 34 Cb 0.00 -2.47 -0.17 0.00 0.01 0.00 0.00 42.46 39.83 3njs s ILE 34 CO 0.00 0.46 1.10 -2.65 0.00 0.00 0.00 174.94 173.84 3njs n PRO 35 N 4.41 0.75 -3.84 2.79 -0.02 -1.26 -1.20 135.00 136.62 3njs n PRO 35 Ca -0.18 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 3njs n PRO 35 Cb 0.51 -1.73 -0.12 0.00 -0.02 0.00 0.00 33.50 32.15 3njs n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3njs s LEU 36 N 0.75 3.61 0.28 2.45 2.96 -0.55 -1.92 118.68 126.25 3njs s LEU 36 Ca 0.78 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 3njs s LEU 36 Cb -0.98 -1.95 -0.10 0.00 0.50 0.00 0.00 46.19 43.66 3njs s LEU 36 CO 0.53 0.03 1.23 -0.76 -1.32 0.00 0.00 176.35 176.07 3njs s LEU 37 N 1.21 4.47 0.74 -0.68 1.43 -0.26 -4.34 118.68 121.24 3njs s LEU 37 Ca 0.05 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.45 3njs s LEU 37 Cb -0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3njs s LEU 37 CO 0.04 -0.40 0.86 0.18 0.23 0.00 0.00 176.35 177.27 3njs n LEU 38 N 1.44 2.82 -0.07 1.79 4.77 -1.26 -3.79 117.00 122.69 3njs n LEU 38 Ca 0.01 0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 56.59 3njs n LEU 38 Cb 0.43 -1.36 0.20 0.00 -2.33 0.00 0.00 43.42 40.36 3njs n LEU 38 CO 0.57 -2.32 0.89 -0.65 -1.33 0.00 0.00 177.39 174.55 3njs h PRO 39 N -0.38 0.70 -1.56 3.23 0.11 -1.93 -3.44 132.00 128.72 3njs h PRO 39 Ca -0.47 -0.18 0.23 0.00 0.11 0.00 0.00 66.00 65.70 3njs h PRO 39 Cb 1.33 -0.09 -0.19 0.00 0.11 0.00 0.00 31.00 32.17 3njs h PRO 39 CO 0.45 0.72 0.77 -1.54 -0.21 0.00 0.00 178.00 178.19 3njs s SER 40 N -6.67 -0.17 -0.01 -2.05 1.04 -1.26 -4.82 113.70 99.76 3njs s SER 40 Ca -0.09 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3njs s SER 40 Cb 0.15 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3njs s SER 40 CO 0.80 -0.27 -0.09 -0.69 0.98 0.00 0.00 173.24 173.96 3njs s VAL 41 N -2.40 0.71 -0.08 5.02 1.01 -1.26 -5.09 120.40 118.31 3njs s VAL 41 Ca 0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3njs s VAL 41 Cb -0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 3njs s VAL 41 CO -0.05 0.20 0.26 -0.55 0.00 0.00 0.00 175.10 174.96 3njs s SER 42 N -0.21 6.56 0.00 3.32 0.15 -1.26 -4.58 113.70 117.68 3njs s SER 42 Ca 0.03 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.35 3njs s SER 42 Cb -0.04 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 3njs s SER 42 CO -0.00 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.39 3njs n GLY 43 N 2.06 -0.65 0.26 9.45 0.00 -1.26 -4.07 105.19 110.98 3njs n GLY 43 Ca -0.17 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.80 3njs n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3njs h ALA 44 N 0.00 1.19 0.00 4.61 0.00 -1.95 -2.73 119.26 120.37 3njs h ALA 44 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3njs h ALA 44 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3njs h ALA 44 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3njs n GLY 45 N -0.45 -1.02 0.12 0.00 0.00 -1.26 -2.21 105.19 100.38 3njs n GLY 45 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3njs n GLY 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3njs n ARG 46 N -1.50 0.19 -5.01 1.61 0.63 -1.03 -4.75 116.66 106.81 3njs n ARG 46 Ca 0.04 0.38 -0.32 0.00 -0.92 0.00 0.00 57.85 57.03 3njs n ARG 46 Cb 0.18 -1.84 -0.15 0.00 0.45 0.00 0.00 32.46 31.09 3njs n ARG 46 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3njs s TYR 47 N -3.27 2.65 -0.16 -0.14 2.02 -0.94 -1.24 117.35 116.27 3njs s TYR 47 Ca 0.05 -0.67 -0.06 0.00 -0.37 0.00 0.00 57.07 56.02 3njs s TYR 47 Cb 0.10 -1.72 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3njs s TYR 47 CO 0.42 -0.20 0.04 -1.17 -1.57 0.00 0.00 175.55 173.07 3njs s LEU 48 N 0.05 3.73 -0.23 -1.29 2.96 0.66 -4.88 118.68 119.68 3njs s LEU 48 Ca -0.07 0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 3njs s LEU 48 Cb -0.15 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3njs s LEU 48 CO 0.05 0.21 0.19 -0.76 -1.32 0.00 0.00 176.35 174.73 3njs s LEU 49 N 0.12 4.13 -0.22 -0.68 1.43 -1.26 0.27 118.68 122.47 3njs s LEU 49 Ca 0.04 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.26 3njs s LEU 49 Cb -0.12 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3njs s LEU 49 CO 0.01 0.05 0.02 -0.04 0.23 0.00 0.00 176.35 176.62 3njs s MET 50 N 1.05 3.57 -0.25 1.70 -1.94 0.11 -2.25 119.30 121.30 3njs s MET 50 Ca 0.09 -0.53 -0.14 0.00 -1.71 0.00 0.00 55.69 53.40 3njs s MET 50 Cb -0.14 -3.16 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 3njs s MET 50 CO 0.05 -0.12 0.34 -1.01 -0.01 0.00 0.00 175.02 174.27 3njs s HIS 51 N 1.36 3.27 -0.06 -0.03 0.09 -0.32 0.26 115.29 119.86 3njs s HIS 51 Ca 0.05 0.41 0.06 0.00 -0.00 0.00 0.00 55.06 55.57 3njs s HIS 51 Cb -0.15 -2.52 -0.01 0.00 -0.00 0.00 0.00 32.58 29.90 3njs s HIS 51 CO 0.01 -0.15 -0.24 -0.51 -0.00 0.00 0.00 174.74 173.84 3njs s LEU 52 N 1.81 2.06 -0.12 0.89 1.43 -0.26 -2.27 118.68 122.21 3njs s LEU 52 Ca 0.14 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3njs s LEU 52 Cb -0.15 -1.35 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 3njs s LEU 52 CO 0.09 0.24 -0.21 -0.36 0.23 0.00 0.00 176.35 176.34 3njs s PHE 53 N -0.13 2.64 0.99 0.29 0.40 -0.87 -1.57 117.98 119.73 3njs s PHE 53 Ca -0.04 -1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 55.10 3njs s PHE 53 Cb -0.14 -1.77 0.20 0.00 0.51 0.00 0.00 43.02 41.83 3njs s PHE 53 CO 0.04 -0.42 1.26 0.54 0.70 0.00 0.00 175.22 177.34 3njs s ASN 54 N 0.46 2.83 0.47 1.36 2.20 0.13 -1.87 114.94 120.51 3njs s ASN 54 Ca -0.14 0.43 0.22 0.00 -0.94 0.00 0.00 52.86 52.43 3njs s ASN 54 Cb -0.17 -0.59 1.23 0.00 -2.00 0.00 0.00 41.25 39.72 3njs s ASN 54 CO 0.06 -2.93 1.89 0.22 -2.94 0.00 0.00 177.10 173.41 3njs h TYR 55 N -1.77 0.32 0.00 1.54 3.20 -1.88 0.37 116.97 118.75 3njs h TYR 55 Ca -0.45 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3njs h TYR 55 Cb 1.26 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.43 3njs h TYR 55 CO -1.12 0.09 0.00 -0.25 -1.64 0.00 0.00 178.16 175.24 3njs n ASP 56 N -4.43 0.60 0.00 -2.11 8.00 -1.26 -4.59 116.55 112.76 3njs n ASP 56 Ca 0.17 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.23 3njs n ASP 56 Cb 0.73 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3njs n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3njs n GLY 57 N 1.29 0.69 3.80 0.44 0.00 0.12 -5.08 105.19 106.46 3njs n GLY 57 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3njs n GLY 57 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3njs s ASN 58 N -2.49 5.82 0.04 1.61 0.01 -1.26 -4.74 114.94 113.93 3njs s ASN 58 Ca 0.00 1.81 0.02 0.00 -0.71 0.00 0.00 52.86 53.97 3njs s ASN 58 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 3njs s ASN 58 CO 0.00 -1.14 -0.06 0.28 -1.51 0.00 0.00 177.10 174.66 3njs s THR 59 N -2.46 0.43 0.09 1.60 -1.32 -1.26 -0.70 115.64 112.03 3njs s THR 59 Ca 0.63 -1.05 0.06 0.00 -1.21 0.00 0.00 61.69 60.12 3njs s THR 59 Cb -0.16 -0.54 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 3njs s THR 59 CO 0.37 -0.43 -0.15 0.27 -2.21 0.00 0.00 174.62 172.47 3njs s ILE 60 N -1.46 1.26 -0.17 5.08 -4.36 -0.61 -4.40 121.20 116.55 3njs s ILE 60 Ca -0.11 -1.49 -0.00 0.00 -0.26 0.00 0.00 60.65 58.78 3njs s ILE 60 Cb -0.10 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.31 3njs s ILE 60 CO -0.00 -0.28 -0.14 -0.89 0.24 0.00 0.00 174.94 173.87 3njs s THR 61 N -1.59 2.70 -0.17 8.37 2.01 -0.52 -1.11 115.64 125.33 3njs s THR 61 Ca 0.03 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 3njs s THR 61 Cb -0.08 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 3njs s THR 61 CO 0.03 0.50 0.04 -0.69 -0.69 0.00 0.00 174.62 173.81 3njs s VAL 62 N 1.02 4.56 -0.20 3.82 1.01 0.14 0.56 120.40 131.31 3njs s VAL 62 Ca -0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 3njs s VAL 62 Cb -0.15 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3njs s VAL 62 CO -0.03 0.49 0.31 0.00 0.00 0.00 0.00 175.10 175.87 3njs s ALA 63 N 0.22 3.58 -0.04 5.51 0.00 -0.38 0.08 121.76 130.72 3njs s ALA 63 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3njs s ALA 63 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 3njs s ALA 63 CO 0.01 -0.15 -0.22 0.08 0.00 0.00 0.00 175.76 175.48 3njs s VAL 64 N 0.99 2.41 -0.52 0.00 1.01 0.14 -1.07 120.40 123.36 3njs s VAL 64 Ca 0.16 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 3njs s VAL 64 Cb -0.14 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3njs s VAL 64 CO 0.06 0.58 1.13 -0.62 0.00 0.00 0.00 175.10 176.25 3njs s ASP 65 N -0.52 6.54 0.00 3.32 -1.08 0.69 -0.25 116.67 125.37 3njs s ASP 65 Ca 0.07 0.27 0.05 0.00 -0.52 0.00 0.00 52.55 52.42 3njs s ASP 65 Cb -0.11 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.06 3njs s ASP 65 CO 0.01 -1.32 1.01 1.33 0.52 0.00 0.00 175.17 176.71 3njs n VAL 66 N 6.73 1.01 0.03 1.11 0.24 -0.37 0.41 118.33 127.49 3njs n VAL 66 Ca 0.10 0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 62.63 3njs n VAL 66 Cb 0.49 -1.17 -0.09 0.00 -1.47 0.00 0.00 33.84 31.60 3njs n VAL 66 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3njs h THR 67 N 0.00 0.72 0.00 3.34 1.35 -1.87 -3.42 112.91 113.03 3njs h THR 67 Ca 0.00 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 3njs h THR 67 Cb 0.05 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3njs h THR 67 CO 0.00 0.41 -0.37 -0.46 -0.25 0.00 0.00 175.52 174.85 3njs n ASN 68 N -3.00 1.83 -2.29 5.36 0.23 -0.97 -4.58 115.26 111.83 3njs n ASN 68 Ca -0.09 -0.06 -0.11 0.00 -0.53 0.00 0.00 54.58 53.79 3njs n ASN 68 Cb 0.89 0.48 0.05 0.00 -2.08 0.00 0.00 39.78 39.12 3njs n ASN 68 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 3njs n VAL 69 N -0.67 -2.63 -3.83 3.53 0.31 0.16 -5.01 118.33 110.20 3njs n VAL 69 Ca 0.00 -0.16 -0.37 0.00 -0.01 0.00 0.00 64.34 63.80 3njs n VAL 69 Cb 0.00 -3.47 -0.06 0.00 -0.91 0.00 0.00 33.84 29.40 3njs n VAL 69 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3njs s TYR 70 N -3.19 3.57 0.05 3.52 4.12 -1.22 -4.85 117.35 119.36 3njs s TYR 70 Ca 0.14 0.52 -0.30 0.00 0.02 0.00 0.00 57.07 57.45 3njs s TYR 70 Cb -0.06 -2.00 -0.05 0.00 -1.52 0.00 0.00 41.96 38.33 3njs s TYR 70 CO 0.40 0.65 1.10 0.42 0.02 0.00 0.00 175.55 178.14 3njs s ILE 71 N -0.77 4.36 -0.22 2.71 -1.09 -1.26 -0.23 121.20 124.70 3njs s ILE 71 Ca 0.14 1.73 -0.03 0.00 -2.23 0.00 0.00 60.65 60.26 3njs s ILE 71 Cb -0.12 -4.11 -0.19 0.00 -1.58 0.00 0.00 42.46 36.46 3njs s ILE 71 CO 0.04 0.15 -0.07 0.23 -1.23 0.00 0.00 174.94 174.06 3njs n MET 72 N 3.74 0.67 -3.04 2.79 2.81 -0.23 -4.91 117.12 118.94 3njs n MET 72 Ca 0.07 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 3njs n MET 72 Cb 0.48 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3njs n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3njs n GLY 73 N 2.05 -1.18 3.67 3.03 0.00 -1.24 -2.04 105.19 109.46 3njs n GLY 73 Ca -0.43 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 3njs n GLY 73 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3njs s TYR 74 N -3.00 0.21 -0.15 1.61 1.13 -0.04 -1.25 117.35 115.86 3njs s TYR 74 Ca 0.00 -0.60 0.02 0.00 -1.41 0.00 0.00 57.07 55.08 3njs s TYR 74 Cb 0.00 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 3njs s TYR 74 CO 0.00 -1.07 -0.21 -1.17 -2.51 0.00 0.00 175.55 170.59 3njs s LEU 75 N -2.99 2.11 -0.34 -3.49 2.96 0.19 -1.49 118.68 115.62 3njs s LEU 75 Ca 0.19 -0.62 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3njs s LEU 75 Cb -0.02 -1.45 0.09 0.00 0.50 0.00 0.00 46.19 45.31 3njs s LEU 75 CO 0.09 0.06 0.07 0.00 -1.32 0.00 0.00 176.35 175.24 3njs s ALA 76 N 0.95 2.92 0.00 5.97 0.00 -0.45 -1.44 121.76 129.70 3njs s ALA 76 Ca -0.04 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 49.56 3njs s ALA 76 Cb -0.15 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3njs s ALA 76 CO -0.05 -1.62 0.00 -0.11 0.00 0.00 0.00 175.76 173.98 3njs n LEU 77 N 4.40 0.00 -1.28 0.00 7.94 -1.26 -1.87 117.00 124.93 3njs n LEU 77 Ca -0.02 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.92 3njs n LEU 77 Cb 0.42 0.00 0.28 0.00 0.53 0.00 0.00 43.42 44.65 3njs n LEU 77 CO 0.25 0.00 0.80 0.35 -1.11 0.00 0.00 177.39 177.68 3njs n THR 78 N 0.00 2.52 -5.06 1.96 -2.24 -1.26 -4.92 114.28 105.29 3njs n THR 78 Ca 0.00 -1.89 -0.29 0.00 -2.27 0.00 0.00 64.05 59.60 3njs n THR 78 Cb 0.00 -0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 67.78 3njs n THR 78 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3njs s THR 79 N -2.92 1.76 0.08 4.28 2.01 -0.78 -0.21 115.64 119.86 3njs s THR 79 Ca 0.47 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3njs s THR 79 Cb 0.38 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.35 3njs s THR 79 CO 0.09 0.49 0.15 -0.94 -0.69 0.00 0.00 174.62 173.73 3njs s SER 80 N -0.02 5.95 -0.03 3.53 1.04 -0.64 -1.34 113.70 122.18 3njs s SER 80 Ca -0.05 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.51 3njs s SER 80 Cb -0.13 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.29 3njs s SER 80 CO 0.03 0.16 -0.01 -0.31 0.98 0.00 0.00 173.24 174.09 3njs s TYR 81 N -1.48 0.44 0.04 5.02 1.51 -0.56 -0.71 117.35 121.62 3njs s TYR 81 Ca 0.32 -0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 3njs s TYR 81 Cb -0.12 -0.48 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 3njs s TYR 81 CO 0.25 -0.15 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.36 3njs s PHE 82 N 0.99 1.11 1.06 2.71 0.08 -0.84 -0.86 117.98 122.23 3njs s PHE 82 Ca -0.10 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 3njs s PHE 82 Cb -0.14 -0.65 0.22 0.00 -0.57 0.00 0.00 43.02 41.88 3njs s PHE 82 CO -0.01 0.02 1.07 -0.06 -0.10 0.00 0.00 175.22 176.15 3njs s PHE 83 N -0.97 1.51 -1.00 0.36 0.08 -0.87 -0.64 117.98 116.45 3njs s PHE 83 Ca -0.01 1.41 -0.14 0.00 0.12 0.00 0.00 56.93 58.32 3njs s PHE 83 Cb -0.08 -3.19 0.20 0.00 -0.57 0.00 0.00 43.02 39.38 3njs s PHE 83 CO 0.01 -3.39 1.08 1.21 -0.10 0.00 0.00 175.22 174.03 3njs s ASN 84 N -2.64 6.94 -0.07 1.36 3.04 0.29 -4.60 114.94 119.27 3njs s ASN 84 Ca 0.67 -2.84 -0.27 0.00 0.04 0.00 0.00 52.86 50.47 3njs s ASN 84 Cb -0.24 -2.29 0.06 0.00 -1.54 0.00 0.00 41.25 37.24 3njs s ASN 84 CO 0.62 -0.65 0.61 -1.83 -3.04 0.00 0.00 177.10 172.80 3njs s GLU 85 N 0.69 0.95 0.19 0.43 -1.05 -1.26 -3.83 118.70 114.82 3njs s GLU 85 Ca 0.30 0.25 -0.17 0.00 -0.15 0.00 0.00 54.97 55.20 3njs s GLU 85 Cb -0.07 0.45 0.16 0.00 -0.44 0.00 0.00 34.13 34.22 3njs s GLU 85 CO -0.07 -0.27 1.62 -1.35 0.95 0.00 0.00 175.26 176.14 3njs h PRO 86 N 3.42 -0.09 -0.78 -4.83 0.11 -1.99 -1.35 132.00 126.48 3njs h PRO 86 Ca -0.28 0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.97 3njs h PRO 86 Cb 1.15 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3njs h PRO 86 CO 0.36 -0.06 0.37 0.00 -0.21 0.00 0.00 178.00 178.45 3njs h ALA 87 N 1.28 1.13 -0.21 -0.75 0.00 -1.97 0.15 119.26 118.89 3njs h ALA 87 Ca 0.24 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3njs h ALA 87 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3njs h ALA 87 CO -0.59 -0.13 -0.60 0.00 0.00 0.00 0.00 179.25 177.93 3njs h ALA 88 N 1.53 0.54 -0.69 0.00 0.00 -1.68 0.35 119.26 119.31 3njs h ALA 88 Ca 0.42 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3njs h ALA 88 Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3njs h ALA 88 CO -0.36 0.69 0.25 0.22 0.00 0.00 0.00 179.25 180.05 3njs h ASP 89 N 0.52 0.98 -0.27 0.00 3.58 -0.24 0.11 116.42 121.10 3njs h ASP 89 Ca -0.00 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 3njs h ASP 89 Cb 1.19 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 3njs h ASP 89 CO 0.12 0.91 0.14 0.25 -2.88 0.00 0.00 179.24 177.78 3njs h LEU 90 N 1.00 0.35 -1.83 2.28 5.85 -0.54 -2.40 115.31 120.01 3njs h LEU 90 Ca 0.23 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.95 3njs h LEU 90 Cb 0.26 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3njs h LEU 90 CO -0.01 0.36 0.36 0.00 -0.34 0.00 0.00 178.44 178.80 3njs h ALA 91 N 1.00 2.23 0.00 1.25 0.00 0.01 -0.91 119.26 122.84 3njs h ALA 91 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3njs h ALA 91 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3njs h ALA 91 CO -0.01 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.74 3njs n SER 92 N -4.44 0.61 0.11 0.00 3.41 0.28 -1.89 113.62 111.71 3njs n SER 92 Ca 0.09 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 3njs n SER 92 Cb 0.45 -0.78 0.41 0.00 -0.26 0.00 0.00 64.21 64.04 3njs n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3njs n GLN 93 N -2.18 0.26 -0.03 4.33 6.02 -0.35 -4.26 117.38 121.18 3njs n GLN 93 Ca 0.02 0.24 -0.05 0.00 -0.01 0.00 0.00 57.00 57.20 3njs n GLN 93 Cb 0.22 -1.82 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 3njs n GLN 93 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3njs n TYR 94 N -2.27 0.00 -3.95 1.08 4.01 -0.84 -4.98 117.16 110.20 3njs n TYR 94 Ca 0.05 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 3njs n TYR 94 Cb 0.41 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 3njs n TYR 94 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3njs s VAL 95 N -2.12 5.26 -1.42 -0.72 -7.23 -0.79 -4.50 120.40 108.87 3njs s VAL 95 Ca -0.09 -0.59 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 3njs s VAL 95 Cb 0.03 -3.64 0.09 0.00 0.56 0.00 0.00 36.38 33.42 3njs s VAL 95 CO 0.14 0.02 0.64 0.49 -0.31 0.00 0.00 175.10 176.08 3njs n PHE 96 N -0.12 -1.87 0.03 2.82 3.72 -1.26 -4.72 117.46 116.06 3njs n PHE 96 Ca -0.06 0.62 0.05 0.00 -0.05 0.00 0.00 57.45 58.01 3njs n PHE 96 Cb 0.53 -3.15 0.46 0.00 -0.94 0.00 0.00 39.48 36.38 3njs n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3njs h ARG 97 N -1.28 0.45 -0.06 -1.08 2.47 -1.85 -2.31 114.38 110.72 3njs h ARG 97 Ca -0.49 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 3njs h ARG 97 Cb 1.33 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 3njs h ARG 97 CO 0.61 0.30 0.00 -1.13 0.56 0.00 0.00 179.97 180.31 3njs n SER 98 N -4.48 0.43 -4.74 7.04 3.41 -1.26 -4.88 113.62 109.14 3njs n SER 98 Ca 0.03 -1.72 -0.35 0.00 -0.26 0.00 0.00 58.87 56.56 3njs n SER 98 Cb 0.09 -0.04 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 3njs n SER 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3njs s ALA 99 N -1.92 2.33 0.23 7.33 0.00 -0.87 -4.92 121.76 123.95 3njs s ALA 99 Ca 0.18 0.93 0.01 0.00 0.00 0.00 0.00 51.96 53.09 3njs s ALA 99 Cb 0.09 -3.46 0.25 0.00 0.00 0.00 0.00 23.12 20.00 3njs s ALA 99 CO 0.14 -1.53 1.59 0.00 0.00 0.00 0.00 175.76 175.96 3njs h ARG 100 N 0.25 0.41 -3.74 0.00 3.08 -0.93 -3.45 114.38 109.99 3njs h ARG 100 Ca -0.49 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.21 3njs h ARG 100 Cb 1.30 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 31.19 3njs h ARG 100 CO 0.52 0.81 -0.46 -0.98 -1.07 0.00 0.00 179.97 178.79 3njs s ARG 101 N -4.04 0.67 -0.13 0.04 1.70 -1.21 -5.07 118.95 110.91 3njs s ARG 101 Ca -0.06 -0.77 0.03 0.00 -0.47 0.00 0.00 55.73 54.46 3njs s ARG 101 Cb 0.12 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3njs s ARG 101 CO 0.81 -0.18 -0.22 0.21 -1.08 0.00 0.00 175.30 174.83 3njs s LYS 102 N -2.87 2.99 -0.09 3.89 2.20 -1.26 -1.62 119.74 122.97 3njs s LYS 102 Ca -0.03 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3njs s LYS 102 Cb 0.00 -2.37 -0.02 0.00 -1.51 0.00 0.00 37.83 33.93 3njs s LYS 102 CO -0.06 0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.30 3njs s ILE 103 N 0.68 3.40 -0.12 5.43 1.01 0.12 -4.97 121.20 126.74 3njs s ILE 103 Ca -0.11 -0.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 3njs s ILE 103 Cb -0.16 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 3njs s ILE 103 CO 0.01 0.56 0.20 -0.89 0.00 0.00 0.00 174.94 174.82 3njs s THR 104 N -0.29 5.39 1.17 2.92 2.01 -1.26 -1.99 115.64 123.59 3njs s THR 104 Ca 0.03 0.34 -0.15 0.00 0.31 0.00 0.00 61.69 62.23 3njs s THR 104 Cb -0.13 -3.49 0.28 0.00 0.01 0.00 0.00 72.50 69.17 3njs s THR 104 CO 0.03 0.55 1.04 -0.76 -0.69 0.00 0.00 174.62 174.78 3njs s LEU 105 N -0.60 0.67 -0.22 4.42 1.43 0.19 -4.90 118.68 119.68 3njs s LEU 105 Ca 0.15 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 3njs s LEU 105 Cb -0.13 -3.11 0.41 0.00 0.03 0.00 0.00 46.19 43.40 3njs s LEU 105 CO 0.04 -4.13 1.42 -0.81 0.23 0.00 0.00 176.35 173.10 3njs n PRO 106 N -4.84 2.24 -3.51 1.29 -0.04 -1.26 -4.34 135.00 124.54 3njs n PRO 106 Ca 0.05 -1.75 -0.09 0.00 -0.04 0.00 0.00 63.50 61.68 3njs n PRO 106 Cb 0.56 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 3njs n PRO 106 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3njs s TYR 107 N -1.93 -0.36 0.35 0.54 -0.85 -1.26 -4.99 117.35 108.85 3njs s TYR 107 Ca 0.32 0.20 -0.05 0.00 -0.52 0.00 0.00 57.07 57.03 3njs s TYR 107 Cb 0.26 0.55 0.08 0.00 0.38 0.00 0.00 41.96 43.23 3njs s TYR 107 CO 0.07 -0.61 0.48 -1.13 -1.52 0.00 0.00 175.55 172.84 3njs n SER 108 N -0.28 0.18 -0.78 -0.18 3.41 -1.25 -0.55 113.62 114.17 3njs n SER 108 Ca -0.10 -1.26 0.11 0.00 -0.26 0.00 0.00 58.87 57.36 3njs n SER 108 Cb 0.62 -0.35 0.30 0.00 -0.26 0.00 0.00 64.21 64.52 3njs n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3njs n GLY 109 N 1.76 0.82 3.74 5.00 0.00 -1.26 -4.56 105.19 110.69 3njs n GLY 109 Ca 0.06 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3njs n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3njs s ASN 110 N -1.53 6.61 0.43 1.61 2.47 -1.26 -4.87 114.94 118.41 3njs s ASN 110 Ca 0.34 2.70 0.23 0.00 0.42 0.00 0.00 52.86 56.55 3njs s ASN 110 Cb 0.19 -2.62 1.21 0.00 -1.45 0.00 0.00 41.25 38.58 3njs s ASN 110 CO 0.28 -0.74 1.78 1.88 -3.72 0.00 0.00 177.10 176.58 3njs h TYR 111 N 5.08 0.49 -0.10 0.43 0.05 -1.99 -0.82 116.97 120.12 3njs h TYR 111 Ca -0.46 0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.11 3njs h TYR 111 Cb 1.22 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.83 3njs h TYR 111 CO 0.60 0.04 -0.84 0.93 -1.05 0.00 0.00 178.16 177.84 3njs h GLU 112 N 0.29 0.74 -0.18 4.88 5.08 -1.98 -1.78 114.58 121.63 3njs h GLU 112 Ca 0.58 -0.67 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 3njs h GLU 112 Cb 1.67 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 3njs h GLU 112 CO -0.23 1.27 -0.39 0.00 -1.00 0.00 0.00 179.01 178.66 3njs h ARG 113 N 0.45 0.40 -0.39 2.33 2.47 -1.65 -2.63 114.38 115.35 3njs h ARG 113 Ca -0.08 -0.19 -0.14 0.00 -1.26 0.00 0.00 59.98 58.31 3njs h ARG 113 Cb 1.48 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 3njs h ARG 113 CO 0.17 0.73 -0.31 -0.07 0.56 0.00 0.00 179.97 181.05 3njs h LEU 114 N 0.34 0.90 -0.74 3.04 3.38 -1.16 -1.85 115.31 119.23 3njs h LEU 114 Ca 0.03 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3njs h LEU 114 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3njs h LEU 114 CO 0.07 1.14 -0.44 1.56 0.09 0.00 0.00 178.44 180.86 3njs h GLN 115 N 0.73 0.44 0.31 1.13 4.20 -1.26 -0.28 115.11 120.38 3njs h GLN 115 Ca 0.08 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3njs h GLN 115 Cb 0.87 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3njs h GLN 115 CO 0.08 0.80 -0.15 0.82 -0.67 0.00 0.00 178.83 179.70 3njs h ILE 116 N 0.36 0.67 -0.99 2.54 1.08 -1.37 0.31 117.51 120.12 3njs h ILE 116 Ca 0.03 -0.61 0.18 0.00 -0.39 0.00 0.00 64.86 64.06 3njs h ILE 116 Cb 0.91 0.97 -0.10 0.00 -3.07 0.00 0.00 36.82 35.53 3njs h ILE 116 CO 0.08 0.11 0.60 0.00 -0.69 0.00 0.00 178.15 178.25 3njs h ALA 117 N -0.26 1.62 0.00 1.87 0.00 -1.31 -1.19 119.26 119.99 3njs h ALA 117 Ca -0.04 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3njs h ALA 117 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3njs h ALA 117 CO 0.07 -0.02 -0.44 0.00 0.00 0.00 0.00 179.25 178.85 3njs h ALA 118 N 1.63 0.76 -0.19 0.00 0.00 -0.86 -3.45 119.26 117.16 3njs h ALA 118 Ca 0.56 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3njs h ALA 118 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3njs h ALA 118 CO -0.37 0.55 -0.04 0.41 0.00 0.00 0.00 179.25 179.80 3njs n GLY 119 N 1.00 0.39 3.59 0.00 0.00 0.10 -4.93 105.19 105.35 3njs n GLY 119 Ca 0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 3njs n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3njs s LYS 120 N -3.26 0.48 0.72 1.61 -2.85 -0.87 -5.05 119.74 110.52 3njs s LYS 120 Ca 0.00 0.11 -0.11 0.00 -1.00 0.00 0.00 55.97 54.96 3njs s LYS 120 Cb 0.00 0.23 0.02 0.00 -2.06 0.00 0.00 37.83 36.02 3njs s LYS 120 CO 0.00 -0.15 1.10 -1.25 0.10 0.00 0.00 175.35 175.15 3njs s PRO 121 N -1.13 2.71 0.36 1.78 0.04 -1.26 -4.50 135.00 133.00 3njs s PRO 121 Ca 0.01 0.47 0.06 0.00 0.04 0.00 0.00 61.00 61.57 3njs s PRO 121 Cb -0.01 -2.00 0.73 0.00 0.04 0.00 0.00 34.50 33.26 3njs s PRO 121 CO -0.01 -1.14 1.94 0.00 0.04 0.00 0.00 177.00 177.83 3njs h ARG 122 N -0.73 0.75 -0.98 4.56 3.08 -1.94 -2.43 114.38 116.68 3njs h ARG 122 Ca -0.45 -0.04 0.34 0.00 0.07 0.00 0.00 59.98 59.89 3njs h ARG 122 Cb 1.26 -0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.96 3njs h ARG 122 CO 0.63 0.49 0.28 0.39 -1.07 0.00 0.00 179.97 180.70 3njs n GLU 123 N -4.49 -0.07 -0.41 0.04 4.71 -1.26 -0.73 120.64 118.43 3njs n GLU 123 Ca 0.12 1.41 0.10 0.00 -0.01 0.00 0.00 57.16 58.77 3njs n GLU 123 Cb 0.26 -2.38 0.30 0.00 -1.01 0.00 0.00 31.44 28.61 3njs n GLU 123 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3njs n LYS 124 N -5.34 3.10 -3.65 3.49 5.02 -0.92 -4.52 118.16 115.35 3njs n LYS 124 Ca 0.30 -2.62 -0.40 0.00 -2.02 0.00 0.00 58.31 53.57 3njs n LYS 124 Cb 1.01 -1.63 -0.12 0.00 -0.02 0.00 0.00 35.03 34.28 3njs n LYS 124 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3njs s ILE 125 N -1.37 4.35 0.37 -0.18 1.01 0.09 -4.97 121.20 120.50 3njs s ILE 125 Ca 0.44 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3njs s ILE 125 Cb 0.26 -3.42 -0.11 0.00 0.01 0.00 0.00 42.46 39.20 3njs s ILE 125 CO 0.26 -0.19 1.49 -2.84 0.00 0.00 0.00 174.94 173.65 3njs s PRO 126 N 1.52 4.11 0.29 2.79 0.02 -1.26 -4.33 135.00 138.14 3njs s PRO 126 Ca 0.01 2.57 0.04 0.00 0.02 0.00 0.00 61.00 63.64 3njs s PRO 126 Cb -0.19 -2.97 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 3njs s PRO 126 CO 0.05 -0.53 0.03 0.96 -0.33 0.00 0.00 177.00 177.18 3njs s ILE 127 N -1.08 1.18 -5.00 2.83 -4.36 -0.41 -4.75 121.20 109.61 3njs s ILE 127 Ca 0.53 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3njs s ILE 127 Cb -0.46 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.64 3njs s ILE 127 CO 0.62 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 176.28 3njs n GLY 128 N -0.58 -0.27 0.24 6.27 0.00 -1.26 -0.86 105.19 108.73 3njs n GLY 128 Ca -0.03 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 3njs n GLY 128 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3njs h LEU 129 N 0.00 0.91 -0.68 0.99 3.38 -1.53 -1.67 115.31 116.70 3njs h LEU 129 Ca 0.00 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.50 3njs h LEU 129 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3njs h LEU 129 CO 0.00 1.27 0.45 -0.65 0.09 0.00 0.00 178.44 179.59 3njs h PRO 130 N 0.63 0.88 -0.53 1.13 0.11 -1.75 -1.05 132.00 131.42 3njs h PRO 130 Ca 0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3njs h PRO 130 Cb 1.14 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3njs h PRO 130 CO 0.12 0.58 0.19 0.00 -0.21 0.00 0.00 178.00 178.69 3njs h ALA 131 N 1.25 1.36 0.00 -0.75 0.00 -1.85 -0.49 119.26 118.77 3njs h ALA 131 Ca 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3njs h ALA 131 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3njs h ALA 131 CO -0.06 0.48 -0.34 1.25 0.00 0.00 0.00 179.25 180.58 3njs h LEU 132 N 0.75 0.00 -0.37 0.00 5.85 -0.33 -1.36 115.31 119.85 3njs h LEU 132 Ca 0.18 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.72 3njs h LEU 132 Cb 0.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3njs h LEU 132 CO -0.01 0.34 -0.54 -0.78 -0.34 0.00 0.00 178.44 177.11 3njs h ASP 133 N 0.00 0.88 -0.59 1.25 3.58 0.10 -2.18 116.42 119.47 3njs h ASP 133 Ca -0.00 -0.47 -0.03 0.00 0.42 0.00 0.00 57.03 56.95 3njs h ASP 133 Cb 0.66 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 3njs h ASP 133 CO 0.04 1.24 0.26 0.74 -2.88 0.00 0.00 179.24 178.64 3njs h THR 134 N 0.61 1.22 0.14 2.25 2.02 -0.92 -2.49 112.91 115.75 3njs h THR 134 Ca 0.02 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3njs h THR 134 Cb 1.13 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3njs h THR 134 CO 0.12 0.26 -0.07 0.00 0.37 0.00 0.00 175.52 176.20 3njs h ALA 135 N 1.10 -0.19 -0.57 6.16 0.00 -1.17 -0.20 119.26 124.39 3njs h ALA 135 Ca 0.20 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3njs h ALA 135 Cb 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3njs h ALA 135 CO -0.02 -0.59 0.19 0.82 0.00 0.00 0.00 179.25 179.65 3njs h ILE 136 N -0.24 0.76 -0.64 0.00 2.04 -1.35 -1.84 117.51 116.25 3njs h ILE 136 Ca -0.02 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3njs h ILE 136 Cb 0.19 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3njs h ILE 136 CO 0.03 0.06 0.38 0.28 0.00 0.00 0.00 178.15 178.91 3njs h SER 137 N 0.35 0.62 -0.20 1.72 0.02 -1.10 -2.84 113.55 112.12 3njs h SER 137 Ca 0.29 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3njs h SER 137 Cb 0.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3njs h SER 137 CO -0.31 0.43 0.13 0.74 -1.14 0.00 0.00 176.83 176.68 3njs h THR 138 N 0.75 1.07 0.00 -2.27 2.02 -0.27 -2.98 112.91 111.24 3njs h THR 138 Ca 0.26 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3njs h THR 138 Cb 0.05 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3njs h THR 138 CO -0.12 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.02 3njs n LEU 139 N -4.93 0.37 0.19 2.58 4.77 -0.77 -2.35 117.00 116.86 3njs n LEU 139 Ca -0.03 0.59 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 3njs n LEU 139 Cb 0.04 -0.54 0.37 0.00 -2.33 0.00 0.00 43.42 40.96 3njs n LEU 139 CO 0.34 -0.43 0.74 -0.07 -1.33 0.00 0.00 177.39 176.64 3njs h LEU 140 N 0.00 0.01 -7.56 2.23 3.38 -1.34 -3.40 115.31 108.63 3njs h LEU 140 Ca 0.00 -0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.41 3njs h LEU 140 Cb 0.31 -0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.67 3njs h LEU 140 CO 0.00 0.36 -0.79 -1.00 0.09 0.00 0.00 178.44 177.10 3njs s HIS 141 N -4.24 1.69 -0.15 1.13 3.76 -0.99 -4.85 115.29 111.63 3njs s HIS 141 Ca -0.03 -1.14 -0.39 0.00 -0.15 0.00 0.00 55.06 53.35 3njs s HIS 141 Cb 0.15 -1.30 -0.16 0.00 1.11 0.00 0.00 32.58 32.38 3njs s HIS 141 CO 0.72 -0.64 1.63 0.98 -0.85 0.00 0.00 174.74 176.59 3njs n TYR 142 N 4.87 1.91 -3.20 1.40 9.36 -1.26 -4.92 117.16 125.33 3njs n TYR 142 Ca -0.11 0.53 0.01 0.00 3.32 0.00 0.00 57.90 61.65 3njs n TYR 142 Cb 0.47 -2.43 -0.02 0.00 -0.63 0.00 0.00 39.34 36.72 3njs n TYR 142 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3njs s ASP 143 N 2.62 -1.02 0.30 2.98 -1.08 -1.26 -5.06 116.67 114.15 3njs s ASP 143 Ca 0.94 0.61 -0.01 0.00 -0.52 0.00 0.00 52.55 53.57 3njs s ASP 143 Cb -1.01 1.90 0.45 0.00 -1.46 0.00 0.00 42.92 42.80 3njs s ASP 143 CO 0.59 -0.28 1.88 0.77 0.52 0.00 0.00 175.17 178.65 3njs h SER 144 N 8.04 0.78 -0.07 -0.34 4.64 -1.98 -0.46 113.55 124.17 3njs h SER 144 Ca -0.19 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 3njs h SER 144 Cb 1.16 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3njs h SER 144 CO 0.25 0.71 -0.45 0.74 -0.87 0.00 0.00 176.83 177.21 3njs h THR 145 N 0.85 1.40 -0.10 2.95 2.02 -1.97 -2.17 112.91 115.89 3njs h THR 145 Ca 0.20 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.45 3njs h THR 145 Cb 0.17 2.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3njs h THR 145 CO -0.02 0.54 -0.34 0.00 0.37 0.00 0.00 175.52 176.07 3njs h ALA 146 N 0.42 1.25 -0.64 6.16 0.00 -1.92 -3.01 119.26 121.53 3njs h ALA 146 Ca -0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3njs h ALA 146 Cb 1.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3njs h ALA 146 CO 0.09 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.93 3njs h ALA 147 N 1.49 0.85 -0.40 0.00 0.00 -1.00 -1.53 119.26 118.67 3njs h ALA 147 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3njs h ALA 147 Cb 0.69 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3njs h ALA 147 CO 0.05 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.96 3njs h ALA 148 N 1.02 0.38 -0.39 0.00 0.00 -1.25 0.51 119.26 119.54 3njs h ALA 148 Ca 0.19 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3njs h ALA 148 Cb 0.48 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3njs h ALA 148 CO 0.02 -0.38 -0.33 0.78 0.00 0.00 0.00 179.25 179.33 3njs h GLY 149 N 0.12 0.96 1.46 0.00 0.00 -1.59 -1.41 103.07 102.61 3njs h GLY 149 Ca 0.20 -0.93 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 3njs h GLY 149 CO -0.31 0.84 -0.12 0.00 0.00 0.00 0.00 176.54 176.95 3njs h ALA 150 N 0.88 1.11 -0.25 3.60 0.00 -0.45 -2.12 119.26 122.02 3njs h ALA 150 Ca 0.07 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3njs h ALA 150 Cb 0.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3njs h ALA 150 CO 0.08 0.56 -0.27 -0.07 0.00 0.00 0.00 179.25 179.55 3njs h LEU 151 N 0.59 0.49 -0.81 0.00 3.38 0.19 0.57 115.31 119.72 3njs h LEU 151 Ca 0.10 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3njs h LEU 151 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3njs h LEU 151 CO 0.03 0.75 -0.40 -0.07 0.09 0.00 0.00 178.44 178.84 3njs h LEU 152 N 0.42 0.42 -0.23 1.67 3.38 -0.82 -0.47 115.31 119.68 3njs h LEU 152 Ca 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3njs h LEU 152 Cb 0.70 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3njs h LEU 152 CO 0.05 0.78 -0.08 0.58 0.09 0.00 0.00 178.44 179.87 3njs h VAL 153 N 0.33 1.29 -0.33 1.22 2.07 -0.88 -3.13 116.25 116.83 3njs h VAL 153 Ca 0.03 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3njs h VAL 153 Cb 0.86 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3njs h VAL 153 CO 0.07 0.34 0.17 0.25 0.02 0.00 0.00 177.57 178.42 3njs h LEU 154 N 0.18 0.42 -0.26 2.57 5.85 -0.63 -0.69 115.31 122.76 3njs h LEU 154 Ca 0.06 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3njs h LEU 154 Cb 0.55 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3njs h LEU 154 CO 0.03 0.40 -0.12 0.40 -0.34 0.00 0.00 178.44 178.81 3njs h ILE 155 N 0.40 0.62 -0.29 4.05 1.08 -1.15 -2.16 117.51 120.07 3njs h ILE 155 Ca 0.11 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.50 3njs h ILE 155 Cb 0.08 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 3njs h ILE 155 CO -0.02 0.00 -0.17 1.56 -0.69 0.00 0.00 178.15 178.83 3njs h GLN 156 N -0.08 0.62 -0.80 2.37 4.20 -1.47 -1.13 115.11 118.82 3njs h GLN 156 Ca 0.14 -0.29 0.06 0.00 0.06 0.00 0.00 58.65 58.62 3njs h GLN 156 Cb 0.29 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 3njs h GLN 156 CO -0.31 0.87 0.49 1.79 -0.67 0.00 0.00 178.83 180.99 3njs h THR 157 N 0.37 1.03 0.00 -0.54 1.35 -0.94 -3.07 112.91 111.10 3njs h THR 157 Ca 0.06 -0.31 -0.27 0.00 -0.55 0.00 0.00 66.41 65.34 3njs h THR 157 Cb 0.70 0.05 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 3njs h THR 157 CO 0.05 0.16 -1.86 0.35 -0.25 0.00 0.00 175.52 173.97 3njs n THR 158 N -4.66 1.19 -0.03 6.82 -2.24 -0.83 -4.13 114.28 110.39 3njs n THR 158 Ca 0.11 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 3njs n THR 158 Cb 0.17 -1.85 -0.10 0.00 -2.10 0.00 0.00 70.33 66.44 3njs n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3njs h ALA 159 N -0.73 0.04 0.00 6.98 0.00 -1.42 -3.03 119.26 121.10 3njs h ALA 159 Ca -0.42 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.04 3njs h ALA 159 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3njs h ALA 159 CO -0.25 -0.07 -0.46 0.93 0.00 0.00 0.00 179.25 179.40 3njs h GLU 160 N -0.49 0.00 -0.07 0.00 4.39 -1.53 -0.82 114.58 116.06 3njs h GLU 160 Ca -0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 3njs h GLU 160 Cb 0.74 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3njs h GLU 160 CO 0.02 0.46 -0.58 0.00 -1.16 0.00 0.00 179.01 177.75 3njs h ALA 161 N 1.54 0.88 -0.06 3.43 0.00 -1.66 -0.67 119.26 122.72 3njs h ALA 161 Ca -0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 3njs h ALA 161 Cb 0.82 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3njs h ALA 161 CO 0.06 0.71 -0.80 0.00 0.00 0.00 0.00 179.25 179.22 3njs h ALA 162 N 1.22 0.18 -0.28 0.00 0.00 -1.36 -3.31 119.26 115.71 3njs h ALA 162 Ca -0.00 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.31 3njs h ALA 162 Cb 1.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3njs h ALA 162 CO 0.09 0.57 0.13 0.00 0.00 0.00 0.00 179.25 180.04 3njs h ARG 163 N 0.30 0.27 -4.67 0.00 3.08 -0.95 -3.40 114.38 109.01 3njs h ARG 163 Ca -0.08 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.41 3njs h ARG 163 Cb 1.46 -0.06 -0.33 0.00 0.08 0.00 0.00 29.97 31.12 3njs h ARG 163 CO 0.16 0.18 -0.83 -0.06 -1.07 0.00 0.00 179.97 178.35 3njs s PHE 164 N -6.17 1.65 0.22 3.04 0.08 -0.28 0.06 117.98 116.59 3njs s PHE 164 Ca -0.13 -0.64 -0.09 0.00 0.12 0.00 0.00 56.93 56.20 3njs s PHE 164 Cb 0.10 -1.19 0.19 0.00 -0.57 0.00 0.00 43.02 41.56 3njs s PHE 164 CO 0.70 -0.31 1.90 -0.22 -0.10 0.00 0.00 175.22 177.19 3njs h LYS 165 N 6.97 1.12 -0.74 0.44 3.64 -0.34 -1.91 116.57 125.74 3njs h LYS 165 Ca -0.29 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3njs h LYS 165 Cb 1.19 -0.25 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 3njs h LYS 165 CO 0.47 0.75 0.38 -0.92 -2.27 0.00 0.00 179.45 177.86 3njs h TYR 166 N 1.15 0.68 -0.20 1.91 3.20 -1.92 0.24 116.97 122.04 3njs h TYR 166 Ca 0.31 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.07 3njs h TYR 166 Cb -0.13 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3njs h TYR 166 CO -0.01 0.24 -0.48 0.82 -1.64 0.00 0.00 178.16 177.09 3njs h ILE 167 N 0.64 1.31 -0.94 1.81 2.04 -1.73 0.52 117.51 121.16 3njs h ILE 167 Ca 0.37 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3njs h ILE 167 Cb 0.39 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3njs h ILE 167 CO -0.27 0.53 0.56 -0.08 0.00 0.00 0.00 178.15 178.88 3njs h GLU 168 N 0.43 1.27 -0.58 2.37 4.81 -0.35 -1.40 114.58 121.13 3njs h GLU 168 Ca 0.02 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 3njs h GLU 168 Cb 1.00 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3njs h GLU 168 CO 0.09 0.89 0.06 1.96 -0.73 0.00 0.00 179.01 181.29 3njs h GLN 169 N 1.29 0.98 -0.72 1.92 4.20 -0.20 -2.13 115.11 120.46 3njs h GLN 169 Ca 0.34 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.79 3njs h GLN 169 Cb -0.05 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 3njs h GLN 169 CO -0.06 0.95 0.46 1.96 -0.67 0.00 0.00 178.83 181.47 3njs h GLN 170 N 0.88 0.89 -0.04 1.46 1.08 -0.17 -2.30 115.11 116.92 3njs h GLN 170 Ca 0.17 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 3njs h GLN 170 Cb 0.46 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3njs h GLN 170 CO 0.02 0.59 -0.49 0.82 -0.95 0.00 0.00 178.83 178.82 3njs h ILE 171 N 0.92 1.35 0.00 2.54 2.04 -1.05 -2.90 117.51 120.41 3njs h ILE 171 Ca 0.28 -1.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.39 3njs h ILE 171 Cb -0.04 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3njs h ILE 171 CO -0.09 0.49 -0.27 1.56 0.00 0.00 0.00 178.15 179.85 3njs h GLN 172 N 0.07 0.00 0.00 2.37 4.20 -0.86 -1.81 115.11 119.08 3njs h GLN 172 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3njs h GLN 172 Cb 0.89 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 3njs h GLN 172 CO 0.07 0.27 -0.13 0.93 -0.67 0.00 0.00 178.83 179.30 3njs h GLU 173 N 0.00 0.00 -0.76 1.46 5.08 -1.24 -2.93 114.58 116.18 3njs h GLU 173 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 3njs h GLU 173 Cb 0.82 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.84 3njs h GLU 173 CO 0.03 0.13 0.38 0.54 -1.00 0.00 0.00 179.01 179.10 3njs n ARG 174 N -3.17 2.24 -0.03 2.33 1.74 -0.70 -4.62 116.66 114.43 3njs n ARG 174 Ca 0.02 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 3njs n ARG 174 Cb 0.49 -2.06 0.30 0.00 -1.02 0.00 0.00 32.46 30.17 3njs n ARG 174 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3njs h ALA 175 N 1.14 1.41 0.00 7.54 0.00 -1.30 -1.83 119.26 126.22 3njs h ALA 175 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3njs h ALA 175 Cb 2.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3njs h ALA 175 CO 0.84 0.43 0.00 0.66 0.00 0.00 0.00 179.25 181.18 3njs n TYR 176 N -4.32 0.00 -3.66 0.00 4.01 -1.26 -4.21 117.16 107.71 3njs n TYR 176 Ca 0.03 -0.12 -0.07 0.00 -0.16 0.00 0.00 57.90 57.58 3njs n TYR 176 Cb 0.20 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.13 3njs n TYR 176 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3njs s ARG 177 N -0.24 0.38 0.74 -0.72 3.52 -1.22 -4.95 118.95 116.45 3njs s ARG 177 Ca 0.00 1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 56.60 3njs s ARG 177 Cb 0.00 0.42 0.03 0.00 -1.56 0.00 0.00 34.95 33.84 3njs s ARG 177 CO 0.00 -0.23 1.07 -0.51 -0.81 0.00 0.00 175.30 174.82 3njs s ASP 178 N 2.59 4.94 -0.20 -2.12 1.01 -1.26 -4.36 116.67 117.28 3njs s ASP 178 Ca -0.03 1.67 -0.27 0.00 0.71 0.00 0.00 52.55 54.63 3njs s ASP 178 Cb -0.12 -2.47 0.08 0.00 1.01 0.00 0.00 42.92 41.43 3njs s ASP 178 CO -0.14 -1.73 0.79 -0.70 0.21 0.00 0.00 175.17 173.60 3njs s GLU 179 N -5.00 0.82 0.68 8.23 2.12 -0.04 -4.84 118.70 120.68 3njs s GLU 179 Ca 0.59 0.64 -0.17 0.00 0.36 0.00 0.00 54.97 56.39 3njs s GLU 179 Cb -0.15 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3njs s GLU 179 CO 0.55 -0.17 1.21 1.33 -0.54 0.00 0.00 175.26 177.65 3njs n VAL 180 N 1.91 4.20 -2.20 3.70 0.24 -1.26 -1.29 118.33 123.64 3njs n VAL 180 Ca -0.15 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.33 3njs n VAL 180 Cb 0.56 -1.37 -0.01 0.00 -1.47 0.00 0.00 33.84 31.55 3njs n VAL 180 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3njs s PRO 181 N -3.40 3.86 0.82 7.34 0.04 -1.26 -4.83 135.00 137.56 3njs s PRO 181 Ca 0.80 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 3njs s PRO 181 Cb -0.37 -2.56 0.09 0.00 0.04 0.00 0.00 34.50 31.70 3njs s PRO 181 CO 0.43 -0.51 1.15 -1.54 0.04 0.00 0.00 177.00 176.57 3njs s SER 182 N -1.13 3.77 0.53 6.66 1.04 -1.26 -4.86 113.70 118.44 3njs s SER 182 Ca 0.61 2.14 0.30 0.00 0.48 0.00 0.00 55.95 59.48 3njs s SER 182 Cb -0.32 -2.56 1.39 0.00 0.10 0.00 0.00 66.02 64.63 3njs s SER 182 CO 0.40 -2.53 2.01 0.77 0.98 0.00 0.00 173.24 174.86 3njs h SER 183 N -1.16 0.00 -0.03 7.02 4.64 -1.94 -1.36 113.55 120.73 3njs h SER 183 Ca -0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3njs h SER 183 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3njs h SER 183 CO 0.47 0.10 -0.19 0.00 -0.87 0.00 0.00 176.83 176.33 3njs h ALA 184 N 1.90 1.25 -0.03 5.18 0.00 -1.80 0.12 119.26 125.88 3njs h ALA 184 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3njs h ALA 184 Cb 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3njs h ALA 184 CO 0.01 0.49 -0.01 1.15 0.00 0.00 0.00 179.25 180.90 3njs h THR 185 N 0.36 1.31 -0.85 0.00 2.02 -1.57 -0.29 112.91 113.89 3njs h THR 185 Ca 0.06 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 3njs h THR 185 Cb 0.55 1.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3njs h THR 185 CO 0.04 0.25 0.42 0.40 0.37 0.00 0.00 175.52 176.99 3njs h ILE 186 N -0.32 1.26 -0.43 3.11 2.04 -1.31 -1.39 117.51 120.46 3njs h ILE 186 Ca 0.01 -0.71 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3njs h ILE 186 Cb 0.40 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3njs h ILE 186 CO 0.00 0.31 0.26 -1.28 0.00 0.00 0.00 178.15 177.44 3njs h SER 187 N 1.20 0.42 -0.48 1.72 0.87 -0.61 -0.52 113.55 116.16 3njs h SER 187 Ca 0.29 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3njs h SER 187 Cb 0.11 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3njs h SER 187 CO -0.04 0.30 0.11 -0.07 -0.53 0.00 0.00 176.83 176.60 3njs h LEU 188 N 0.52 0.74 -0.16 2.23 3.38 -0.79 -1.13 115.31 120.10 3njs h LEU 188 Ca 0.17 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3njs h LEU 188 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3njs h LEU 188 CO -0.08 0.79 0.06 -0.33 0.09 0.00 0.00 178.44 178.97 3njs h GLU 189 N 0.66 0.14 0.00 1.13 5.08 -0.96 -0.84 114.58 119.79 3njs h GLU 189 Ca 0.15 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3njs h GLU 189 Cb 0.34 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3njs h GLU 189 CO 0.00 0.09 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.09 3njs h ASN 190 N 0.14 0.00 -0.01 1.42 2.35 -0.98 -3.12 115.58 115.38 3njs h ASN 190 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3njs h ASN 190 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3njs h ASN 190 CO -0.06 0.11 -0.15 -1.20 -1.65 0.00 0.00 177.43 174.48 3njs n SER 191 N -4.34 2.47 -0.20 5.81 7.64 -0.44 -4.58 113.62 119.98 3njs n SER 191 Ca -0.03 -1.76 0.01 0.00 1.01 0.00 0.00 58.87 58.10 3njs n SER 191 Cb 0.18 0.14 0.11 0.00 -1.01 0.00 0.00 64.21 63.63 3njs n SER 191 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3njs h TRP 192 N 3.65 0.10 0.70 1.43 7.01 -1.11 0.79 115.95 128.52 3njs h TRP 192 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 3njs h TRP 192 Cb 0.85 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 3njs h TRP 192 CO 0.00 -0.09 -0.45 1.03 -2.79 0.00 0.00 178.44 176.13 3njs h SER 193 N 0.19 -1.16 -0.95 2.65 0.87 -1.83 -0.80 113.55 112.52 3njs h SER 193 Ca 0.32 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.99 3njs h SER 193 Cb 0.50 0.35 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 3njs h SER 193 CO -0.46 -0.69 0.62 1.23 -0.53 0.00 0.00 176.83 177.01 3njs h GLY 194 N -1.09 1.39 1.19 5.77 0.00 -1.76 -0.99 103.07 107.58 3njs h GLY 194 Ca -0.09 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 3njs h GLY 194 CO 0.07 0.37 -0.01 1.41 0.00 0.00 0.00 176.54 178.38 3njs h LEU 195 N 1.16 0.95 -0.67 3.11 3.38 -0.77 -0.91 115.31 121.56 3njs h LEU 195 Ca 0.39 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3njs h LEU 195 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3njs h LEU 195 CO -0.13 1.01 0.16 0.28 0.09 0.00 0.00 178.44 179.85 3njs h SER 196 N 0.89 1.03 0.50 -0.43 0.02 -0.34 -0.91 113.55 114.31 3njs h SER 196 Ca 0.16 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3njs h SER 196 Cb 0.54 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3njs h SER 196 CO 0.03 1.00 -0.24 0.50 -1.14 0.00 0.00 176.83 176.98 3njs h LYS 197 N 1.01 -0.65 0.00 3.45 3.64 -0.93 -2.86 116.57 120.24 3njs h LYS 197 Ca 0.21 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3njs h LYS 197 Cb 0.38 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3njs h LYS 197 CO 0.00 -0.35 -0.06 1.96 -2.27 0.00 0.00 179.45 178.73 3njs h GLN 198 N -0.87 0.00 -0.24 1.90 1.08 -1.12 0.10 115.11 115.96 3njs h GLN 198 Ca -0.07 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.02 3njs h GLN 198 Cb 0.59 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3njs h GLN 198 CO 0.11 0.06 -0.30 0.82 -0.95 0.00 0.00 178.83 178.57 3njs h ILE 199 N 0.00 1.32 -0.22 2.54 1.08 -1.10 -1.98 117.51 119.15 3njs h ILE 199 Ca -0.00 -1.49 -0.15 0.00 -0.39 0.00 0.00 64.86 62.83 3njs h ILE 199 Cb 0.17 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 3njs h ILE 199 CO 0.01 0.47 -0.49 1.56 -0.69 0.00 0.00 178.15 179.00 3njs h GLN 200 N 0.34 0.59 -0.00 2.37 4.20 -1.14 -3.03 115.11 118.43 3njs h GLN 200 Ca 0.03 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 3njs h GLN 200 Cb 0.87 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3njs h GLN 200 CO 0.07 0.95 -0.45 -0.07 -0.67 0.00 0.00 178.83 178.66 3njs h LEU 201 N 0.46 0.00 -1.54 1.46 3.38 -0.99 -2.90 115.31 115.18 3njs h LEU 201 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3njs h LEU 201 Cb 1.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3njs h LEU 201 CO 0.10 0.45 0.07 0.00 0.09 0.00 0.00 178.44 179.15 3njs h ALA 202 N 1.55 1.64 -1.34 1.53 0.00 -1.23 -3.19 119.26 118.21 3njs h ALA 202 Ca -0.00 -0.10 0.46 0.00 0.00 0.00 0.00 54.91 55.26 3njs h ALA 202 Cb 0.80 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 3njs h ALA 202 CO 0.06 0.28 0.86 0.37 0.00 0.00 0.00 179.25 180.82 3njs h GLN 203 N 0.37 0.04 0.00 0.00 4.15 -1.53 0.47 115.11 118.60 3njs h GLN 203 Ca 0.09 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3njs h GLN 203 Cb 0.13 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3njs h GLN 203 CO -0.00 0.03 -0.23 0.41 -1.93 0.00 0.00 178.83 177.10 3njs n GLY 204 N -1.51 4.71 1.33 2.39 0.00 -1.20 -4.46 105.19 106.44 3njs n GLY 204 Ca 0.39 -1.15 0.01 0.00 0.00 0.00 0.00 46.02 45.27 3njs n GLY 204 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3njs n ASN 205 N -1.21 1.83 -3.48 1.61 4.05 0.14 -4.98 115.26 113.22 3njs n ASN 205 Ca 0.16 -3.01 -0.25 0.00 0.45 0.00 0.00 54.58 51.93 3njs n ASN 205 Cb 0.67 -0.42 -0.00 0.00 1.23 0.00 0.00 39.78 41.26 3njs n ASN 205 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3njs n ASN 206 N -0.44 -3.84 0.00 1.20 3.02 -0.92 -0.85 115.26 113.43 3njs n ASN 206 Ca 0.16 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3njs n ASN 206 Cb 0.90 -3.16 0.00 0.00 -0.61 0.00 0.00 39.78 36.91 3njs n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3njs n GLY 207 N -1.24 0.55 3.85 7.41 0.00 0.26 -4.98 105.19 111.03 3njs n GLY 207 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3njs n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3njs s VAL 208 N -2.23 5.17 0.21 1.61 1.01 -0.03 -1.15 120.40 124.99 3njs s VAL 208 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.31 3njs s VAL 208 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3njs s VAL 208 CO 0.00 0.57 1.02 -0.36 0.00 0.00 0.00 175.10 176.33 3njs s PHE 209 N -1.09 3.78 0.16 5.22 0.08 0.56 -3.97 117.98 122.71 3njs s PHE 209 Ca 0.22 1.78 -0.11 0.00 0.12 0.00 0.00 56.93 58.94 3njs s PHE 209 Cb -0.15 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 3njs s PHE 209 CO 0.11 -0.05 1.55 0.00 -0.10 0.00 0.00 175.22 176.73 3njs h ARG 210 N 4.51 0.98 -4.30 0.44 2.47 -1.87 -3.41 114.38 113.19 3njs h ARG 210 Ca -0.45 -0.41 -0.51 0.00 -1.26 0.00 0.00 59.98 57.35 3njs h ARG 210 Cb 1.21 -0.04 -0.36 0.00 -1.65 0.00 0.00 29.97 29.13 3njs h ARG 210 CO 0.69 1.08 -0.80 0.99 0.56 0.00 0.00 179.97 182.49 3njs s THR 211 N -4.71 1.02 0.46 2.04 2.01 -1.26 -5.14 115.64 110.06 3njs s THR 211 Ca -0.12 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 3njs s THR 211 Cb 0.12 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.55 3njs s THR 211 CO 0.86 0.35 1.19 -2.84 -0.69 0.00 0.00 174.62 173.50 3njs s PRO 212 N 1.35 3.71 -0.15 4.92 0.02 -1.26 -4.93 135.00 138.67 3njs s PRO 212 Ca -0.02 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 62.76 3njs s PRO 212 Cb -0.14 -2.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.92 3njs s PRO 212 CO -0.04 -0.61 0.15 0.99 -0.33 0.00 0.00 177.00 177.16 3njs s THR 213 N -1.50 5.45 -0.24 0.99 2.01 -0.32 -4.88 115.64 117.15 3njs s THR 213 Ca 0.64 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.76 3njs s THR 213 Cb -0.30 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3njs s THR 213 CO 0.37 0.54 0.16 -0.69 -0.69 0.00 0.00 174.62 174.32 3njs s VAL 214 N -0.45 5.36 0.41 3.82 1.01 -1.26 0.31 120.40 129.59 3njs s VAL 214 Ca 0.13 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.33 3njs s VAL 214 Cb -0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3njs s VAL 214 CO 0.02 0.34 0.07 -0.76 0.00 0.00 0.00 175.10 174.77 3njs s LEU 215 N 1.08 2.20 -0.10 3.92 1.43 0.12 -4.97 118.68 122.36 3njs s LEU 215 Ca 0.08 -1.56 0.04 0.00 -1.03 0.00 0.00 54.13 51.65 3njs s LEU 215 Cb -0.14 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 3njs s LEU 215 CO 0.05 -0.78 -0.23 -0.69 0.23 0.00 0.00 176.35 174.93 3njs s VAL 216 N -3.11 2.12 0.62 -1.59 1.01 -1.26 -0.21 120.40 117.97 3njs s VAL 216 Ca 0.24 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3njs s VAL 216 Cb 0.05 -1.81 0.12 0.00 0.00 0.00 0.00 36.38 34.73 3njs s VAL 216 CO 0.12 0.56 0.85 -0.90 0.00 0.00 0.00 175.10 175.73 3njs n ASP 217 N 3.56 1.48 -0.29 3.32 5.68 -0.14 -4.33 116.55 125.83 3njs n ASP 217 Ca -0.19 -2.17 -0.03 0.00 -0.50 0.00 0.00 54.79 51.91 3njs n ASP 217 Cb 0.53 -0.52 0.03 0.00 -1.14 0.00 0.00 41.12 40.02 3njs n ASP 217 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3njs h SER 218 N -0.32 -1.26 0.19 -1.12 0.02 -1.97 0.39 113.55 109.48 3njs h SER 218 Ca -0.28 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3njs h SER 218 Cb 1.12 0.66 0.00 0.00 0.14 0.00 0.00 62.40 64.32 3njs h SER 218 CO 0.33 -0.30 0.00 1.17 -1.14 0.00 0.00 176.83 176.90 3njs n LYS 219 N -5.46 0.43 -1.16 3.45 3.00 -1.26 -4.86 118.16 112.29 3njs n LYS 219 Ca 0.08 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 3njs n LYS 219 Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.91 3njs n LYS 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3njs n GLY 220 N 0.26 0.62 3.72 3.14 0.00 0.14 -5.07 105.19 108.00 3njs n GLY 220 Ca 0.12 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 3njs n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3njs s ASN 221 N -2.78 5.25 0.08 1.61 0.01 -1.25 -4.79 114.94 113.06 3njs s ASN 221 Ca 0.00 -0.06 -0.31 0.00 -0.71 0.00 0.00 52.86 51.78 3njs s ASN 221 Cb 0.00 -1.35 -0.07 0.00 0.41 0.00 0.00 41.25 40.24 3njs s ASN 221 CO 0.00 0.21 1.36 -0.60 -1.51 0.00 0.00 177.10 176.56 3njs s ARG 222 N -2.09 4.33 0.01 -0.60 3.52 -1.26 -0.97 118.95 121.89 3njs s ARG 222 Ca 0.25 2.00 -0.01 0.00 -0.13 0.00 0.00 55.73 57.84 3njs s ARG 222 Cb -0.12 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 3njs s ARG 222 CO 0.17 -0.43 0.00 0.54 -0.81 0.00 0.00 175.30 174.77 3njs s VAL 223 N 1.37 0.06 -0.14 7.11 0.11 0.70 -4.94 120.40 124.67 3njs s VAL 223 Ca 0.63 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 3njs s VAL 223 Cb -0.34 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 3njs s VAL 223 CO 0.29 -0.28 0.18 -1.10 -3.33 0.00 0.00 175.10 170.86 3njs s GLN 224 N -0.85 3.85 -0.30 1.54 -0.21 -1.26 0.13 119.66 122.56 3njs s GLN 224 Ca -0.09 -0.09 -0.06 0.00 0.02 0.00 0.00 55.36 55.14 3njs s GLN 224 Cb -0.06 -3.30 0.02 0.00 1.00 0.00 0.00 33.01 30.67 3njs s GLN 224 CO -0.00 0.53 0.07 0.42 -2.12 0.00 0.00 175.29 174.19 3njs s ILE 225 N -0.35 3.79 -0.26 1.08 -1.09 0.15 -4.94 121.20 119.57 3njs s ILE 225 Ca 0.13 -0.87 0.17 0.00 -2.23 0.00 0.00 60.65 57.86 3njs s ILE 225 Cb -0.12 -3.01 -0.24 0.00 -1.58 0.00 0.00 42.46 37.51 3njs s ILE 225 CO 0.03 0.01 0.47 0.35 -1.23 0.00 0.00 174.94 174.57 3njs n THR 226 N 4.83 0.00 -3.84 2.92 -2.24 -1.26 -1.18 114.28 113.51 3njs n THR 226 Ca -0.14 -0.30 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 3njs n THR 226 Cb 0.47 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 3njs n THR 226 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3njs s ASN 227 N -3.52 -0.20 0.00 3.42 2.20 -1.26 -0.33 114.94 115.25 3njs s ASN 227 Ca -0.02 -0.68 0.05 0.00 -0.94 0.00 0.00 52.86 51.27 3njs s ASN 227 Cb 0.11 0.72 0.27 0.00 -2.00 0.00 0.00 41.25 40.36 3njs s ASN 227 CO 0.70 -1.36 0.96 1.33 -2.94 0.00 0.00 177.10 175.79 3njs n VAL 228 N -0.48 0.76 1.46 3.54 0.24 -0.30 -3.06 118.33 120.49 3njs n VAL 228 Ca -0.05 0.19 0.14 0.00 -2.04 0.00 0.00 64.34 62.58 3njs n VAL 228 Cb 0.59 -1.10 0.62 0.00 -1.47 0.00 0.00 33.84 32.48 3njs n VAL 228 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3njs n THR 229 N -1.23 0.00 -2.22 3.34 -2.24 -1.26 -4.18 114.28 106.48 3njs n THR 229 Ca 0.03 -0.08 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 3njs n THR 229 Cb 0.04 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 3njs n THR 229 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3njs s SER 230 N -2.38 6.30 0.45 3.42 0.15 -1.17 -4.79 113.70 115.68 3njs s SER 230 Ca 0.31 2.39 0.18 0.00 0.70 0.00 0.00 55.95 59.54 3njs s SER 230 Cb 0.20 -2.61 1.13 0.00 -1.71 0.00 0.00 66.02 63.03 3njs s SER 230 CO 0.45 -0.84 1.93 0.78 1.20 0.00 0.00 173.24 176.76 3njs h ASN 231 N 2.35 0.31 -0.95 5.45 2.35 -1.93 0.16 115.58 123.32 3njs h ASN 231 Ca -0.49 0.02 0.12 0.00 -0.55 0.00 0.00 56.30 55.40 3njs h ASN 231 Cb 1.24 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.49 3njs h ASN 231 CO 0.61 0.16 0.58 0.58 -1.65 0.00 0.00 177.43 177.71 3njs h VAL 232 N 0.33 0.89 0.09 2.81 2.07 -1.94 0.48 116.25 120.97 3njs h VAL 232 Ca 0.36 -0.31 -0.32 0.00 0.82 0.00 0.00 66.70 67.25 3njs h VAL 232 Cb 0.93 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3njs h VAL 232 CO -0.10 0.17 -1.70 0.58 0.02 0.00 0.00 177.57 176.54 3njs h VAL 233 N 0.91 0.93 -0.05 2.57 2.07 -1.05 -1.72 116.25 119.90 3njs h VAL 233 Ca 0.47 -2.65 -0.22 0.00 0.82 0.00 0.00 66.70 65.12 3njs h VAL 233 Cb 0.49 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3njs h VAL 233 CO -0.27 0.76 -0.86 0.71 0.02 0.00 0.00 177.57 177.92 3njs h THR 234 N 0.05 1.35 0.00 2.57 1.35 -0.64 -3.43 112.91 114.16 3njs h THR 234 Ca -0.30 -2.23 -0.05 0.00 -0.55 0.00 0.00 66.41 63.27 3njs h THR 234 Cb 2.02 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 70.66 3njs h THR 234 CO 0.12 0.68 -1.00 -1.20 -0.25 0.00 0.00 175.52 173.87 3njs n SER 235 N -3.83 0.48 0.13 5.36 7.64 0.16 -5.02 113.62 118.55 3njs n SER 235 Ca -0.07 0.07 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 3njs n SER 235 Cb 0.79 -0.18 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 3njs n SER 235 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3njs h ASN 236 N -0.14 -0.29 -2.77 6.43 -0.73 -1.29 -3.44 115.58 113.35 3njs h ASN 236 Ca -0.08 0.01 -0.54 0.00 1.87 0.00 0.00 56.30 57.56 3njs h ASN 236 Cb 0.89 0.07 0.07 0.00 0.27 0.00 0.00 38.32 39.63 3njs h ASN 236 CO -0.05 -0.18 0.92 0.00 -0.37 0.00 0.00 177.43 177.74 3njs n ILE 237 N -3.04 0.36 0.07 2.57 3.06 -0.66 0.32 119.36 122.03 3njs n ILE 237 Ca -0.04 -0.09 0.02 0.00 -2.50 0.00 0.00 62.75 60.13 3njs n ILE 237 Cb 0.13 -1.88 -0.02 0.00 0.54 0.00 0.00 39.64 38.41 3njs n ILE 237 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3njs n GLN 238 N 3.23 2.74 -3.89 9.51 1.13 0.11 -4.90 117.38 125.31 3njs n GLN 238 Ca 0.14 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 55.07 3njs n GLN 238 Cb 0.34 -0.89 -0.12 0.00 0.11 0.00 0.00 30.24 29.68 3njs n GLN 238 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3njs s LEU 239 N -2.74 1.88 -0.08 1.08 1.43 -1.25 -4.17 118.68 114.83 3njs s LEU 239 Ca -0.00 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3njs s LEU 239 Cb 0.02 0.25 -0.01 0.00 0.03 0.00 0.00 46.19 46.48 3njs s LEU 239 CO 0.14 -0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 175.58 3njs s LEU 240 N -0.64 2.27 -0.22 1.79 1.43 -0.81 -4.95 118.68 117.54 3njs s LEU 240 Ca -0.07 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 3njs s LEU 240 Cb -0.04 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3njs s LEU 240 CO -0.00 0.22 1.14 -0.22 0.23 0.00 0.00 176.35 177.72 3njs s LEU 241 N -0.01 4.10 0.18 1.79 2.96 -1.26 -1.11 118.68 125.34 3njs s LEU 241 Ca -0.07 1.46 -0.33 0.00 -0.22 0.00 0.00 54.13 54.97 3njs s LEU 241 Cb -0.15 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.87 3njs s LEU 241 CO 0.05 -0.75 1.64 -3.20 -1.32 0.00 0.00 176.35 172.77 3njs n ASN 242 N 6.56 3.45 0.25 3.68 2.85 -1.25 -4.50 115.26 126.30 3njs n ASN 242 Ca 0.13 1.07 0.17 0.00 -0.11 0.00 0.00 54.58 55.84 3njs n ASN 242 Cb 0.46 -1.48 0.89 0.00 1.24 0.00 0.00 39.78 40.89 3njs n ASN 242 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3njs h THR 243 N 3.71 0.00 0.00 -0.44 1.35 -1.91 0.93 112.91 116.55 3njs h THR 243 Ca -0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3njs h THR 243 Cb 1.23 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3njs h THR 243 CO 0.92 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.48 3njs n LYS 244 N -2.68 0.24 -0.11 4.72 5.02 -1.26 -1.33 118.16 122.76 3njs n LYS 244 Ca -0.02 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 3njs n LYS 244 Cb 0.07 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.67 3njs n LYS 244 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3njs n ASN 245 N -1.19 1.87 0.00 4.39 3.02 0.32 -5.07 115.26 118.60 3njs n ASN 245 Ca 0.07 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.98 3njs n ASN 245 Cb 0.08 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3njs n ASN 245 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26