#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1njs s ARG 2 N 0.00 4.32 -0.03 0.00 0.52 -1.26 -1.48 118.95 121.02 1njs s ARG 2 Ca 0.00 0.49 0.06 0.00 -0.52 0.00 0.00 55.73 55.76 1njs s ARG 2 Cb 0.00 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 1njs s ARG 2 CO 0.00 0.21 -0.22 0.08 0.02 0.00 0.00 175.30 175.39 1njs s VAL 3 N 0.45 1.74 -0.03 3.52 1.01 0.08 -0.19 120.40 126.98 1njs s VAL 3 Ca 0.27 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1njs s VAL 3 Cb -0.16 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1njs s VAL 3 CO 0.11 0.49 -0.02 0.00 0.00 0.00 0.00 175.10 175.69 1njs s ALA 4 N -0.39 3.21 -0.16 5.51 0.00 -0.32 -1.02 121.76 128.58 1njs s ALA 4 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1njs s ALA 4 Cb -0.10 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 1njs s ALA 4 CO 0.00 0.62 -0.12 0.08 0.00 0.00 0.00 175.76 176.34 1njs s VAL 5 N -0.98 2.97 -0.15 0.00 1.01 -0.50 -0.62 120.40 122.13 1njs s VAL 5 Ca 0.17 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1njs s VAL 5 Cb -0.11 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1njs s VAL 5 CO 0.07 0.50 0.12 -0.76 0.00 0.00 0.00 175.10 175.02 1njs s LEU 6 N 0.85 4.20 0.14 3.92 1.43 0.15 -1.21 118.68 128.14 1njs s LEU 6 Ca -0.04 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1njs s LEU 6 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1njs s LEU 6 CO 0.00 0.32 -0.03 0.27 0.23 0.00 0.00 176.35 177.14 1njs s ILE 7 N -0.47 0.70 0.00 -0.59 -4.36 -0.10 -1.38 121.20 115.00 1njs s ILE 7 Ca 0.12 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 1njs s ILE 7 Cb -0.12 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 41.68 1njs s ILE 7 CO 0.02 -0.66 0.00 -1.20 0.24 0.00 0.00 174.94 173.33 1njs n SER 8 N -0.15 0.05 0.00 4.36 7.64 -1.11 -2.71 113.62 121.70 1njs n SER 8 Ca -0.09 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1njs n SER 8 Cb 0.62 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 1njs n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1njs n GLY 9 N 0.68 3.53 0.01 0.23 0.00 -1.26 -4.65 105.19 103.73 1njs n GLY 9 Ca 0.00 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 45.86 1njs n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1njs n THR 10 N 0.00 0.00 -3.15 2.61 -2.24 -1.26 -1.00 114.28 109.23 1njs n THR 10 Ca 0.00 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1njs n THR 10 Cb 0.00 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 67.85 1njs n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1njs n GLY 11 N 1.28 -0.19 3.67 3.38 0.00 -1.26 -2.91 105.19 109.15 1njs n GLY 11 Ca 0.15 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1njs n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1njs n SER 12 N -2.58 2.62 0.00 1.61 7.64 -1.26 -1.05 113.62 120.60 1njs n SER 12 Ca -0.20 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1njs n SER 12 Cb 0.62 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1njs n SER 12 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1njs n ASN 13 N 1.76 0.00 -0.19 6.43 3.02 -1.26 -4.59 115.26 120.43 1njs n ASN 13 Ca 0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.58 1njs n ASN 13 Cb 0.32 -0.62 0.03 0.00 -0.61 0.00 0.00 39.78 38.90 1njs n ASN 13 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1njs h LEU 14 N 0.00 0.67 -0.71 3.41 5.85 -1.45 -0.08 115.31 123.00 1njs h LEU 14 Ca 0.00 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1njs h LEU 14 Cb 0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1njs h LEU 14 CO 0.00 0.55 0.23 -0.61 -0.34 0.00 0.00 178.44 178.26 1njs h GLN 15 N 0.74 1.10 -0.41 1.25 5.75 -1.90 0.04 115.11 121.68 1njs h GLN 15 Ca 0.20 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1njs h GLN 15 Cb 0.01 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1njs h GLN 15 CO -0.04 0.94 0.22 0.00 -2.65 0.00 0.00 178.83 177.31 1njs h ALA 16 N 1.11 0.51 -0.26 3.38 0.00 -1.83 0.83 119.26 123.00 1njs h ALA 16 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1njs h ALA 16 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1njs h ALA 16 CO -0.01 -0.13 0.14 -0.07 0.00 0.00 0.00 179.25 179.18 1njs h LEU 17 N 0.44 0.33 -0.15 0.00 3.38 -0.75 -2.04 115.31 116.52 1njs h LEU 17 Ca 0.17 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1njs h LEU 17 Cb 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1njs h LEU 17 CO -0.10 0.32 -0.09 0.40 0.09 0.00 0.00 178.44 179.06 1njs h ILE 18 N 0.30 0.72 -0.57 1.22 2.04 -0.58 -1.78 117.51 118.86 1njs h ILE 18 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1njs h ILE 18 Cb 0.07 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1njs h ILE 18 CO -0.01 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.90 1njs h ASP 19 N -0.08 0.69 -0.37 1.72 3.32 -0.75 -2.23 116.42 118.73 1njs h ASP 19 Ca 0.09 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.10 1njs h ASP 19 Cb 0.22 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1njs h ASP 19 CO -0.21 0.57 0.14 -1.28 -1.72 0.00 0.00 179.24 176.75 1njs h SER 20 N 0.76 0.17 0.72 6.45 0.87 -1.22 -2.56 113.55 118.75 1njs h SER 20 Ca 0.20 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1njs h SER 20 Cb 0.02 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1njs h SER 20 CO -0.04 0.14 0.00 0.71 -0.53 0.00 0.00 176.83 177.11 1njs h THR 21 N 0.31 0.00 -0.11 2.23 1.35 -0.75 -2.43 112.91 113.50 1njs h THR 21 Ca 0.17 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1njs h THR 21 Cb 0.13 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1njs h THR 21 CO -0.16 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.65 1njs n ARG 22 N -2.72 1.94 -2.30 4.72 1.74 -0.93 -4.73 116.66 114.39 1njs n ARG 22 Ca 0.01 -1.39 -0.34 0.00 -0.77 0.00 0.00 57.85 55.35 1njs n ARG 22 Cb 0.23 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1njs n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1njs s GLU 23 N -1.87 3.46 0.23 5.56 2.02 -0.92 -4.96 118.70 122.22 1njs s GLU 23 Ca 0.34 1.47 -0.07 0.00 0.02 0.00 0.00 54.97 56.74 1njs s GLU 23 Cb 0.20 -2.03 0.37 0.00 0.10 0.00 0.00 34.13 32.76 1njs s GLU 23 CO 0.30 -0.73 1.73 -1.35 0.02 0.00 0.00 175.26 175.23 1njs h PRO 24 N 1.16 0.40 -0.71 0.39 0.11 -1.91 -2.47 132.00 128.97 1njs h PRO 24 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1njs h PRO 24 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1njs h PRO 24 CO 0.57 0.26 0.00 0.09 -0.21 0.00 0.00 178.00 178.72 1njs n ASN 25 N -5.01 2.92 -4.77 -2.05 3.02 -1.26 -4.96 115.26 103.15 1njs n ASN 25 Ca 0.11 -2.34 -0.40 0.00 -0.03 0.00 0.00 54.58 51.92 1njs n ASN 25 Cb 0.35 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1njs n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1njs s SER 26 N -0.49 6.64 0.00 6.41 0.15 -0.93 -4.93 113.70 120.56 1njs s SER 26 Ca 0.25 2.65 0.23 0.00 0.70 0.00 0.00 55.95 59.78 1njs s SER 26 Cb 0.18 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 61.97 1njs s SER 26 CO 0.09 -0.62 1.19 -1.20 1.20 0.00 0.00 173.24 173.90 1njs n SER 27 N 0.57 2.35 -4.25 5.45 7.64 -1.26 -4.98 113.62 119.14 1njs n SER 27 Ca 0.01 -1.68 -0.17 0.00 1.01 0.00 0.00 58.87 58.05 1njs n SER 27 Cb 0.43 0.27 -0.11 0.00 -1.01 0.00 0.00 64.21 63.79 1njs n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1njs s ALA 28 N -2.28 1.52 -0.01 -0.43 0.00 -1.26 -0.61 121.76 118.69 1njs s ALA 28 Ca 0.23 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1njs s ALA 28 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1njs s ALA 28 CO 0.46 0.03 -0.05 1.14 0.00 0.00 0.00 175.76 177.34 1njs s GLN 29 N -3.10 0.48 -0.33 0.00 -2.07 -0.55 -4.67 119.66 109.41 1njs s GLN 29 Ca 0.13 -0.15 -0.25 0.00 -1.82 0.00 0.00 55.36 53.26 1njs s GLN 29 Cb -0.02 -0.48 0.01 0.00 -1.09 0.00 0.00 33.01 31.42 1njs s GLN 29 CO 0.03 0.06 0.86 0.42 -1.32 0.00 0.00 175.29 175.34 1njs s ILE 30 N 0.13 4.69 -0.30 3.63 -1.09 -1.26 -0.74 121.20 126.25 1njs s ILE 30 Ca -0.01 1.21 0.13 0.00 -2.23 0.00 0.00 60.65 59.75 1njs s ILE 30 Cb -0.05 -4.25 -0.17 0.00 -1.58 0.00 0.00 42.46 36.42 1njs s ILE 30 CO -0.00 -0.39 0.40 0.47 -1.23 0.00 0.00 174.94 174.19 1njs n ASP 31 N 6.48 1.33 -3.59 3.58 8.00 -0.19 -4.94 116.55 127.23 1njs n ASP 31 Ca 0.06 -0.39 -0.14 0.00 0.71 0.00 0.00 54.79 55.02 1njs n ASP 31 Cb 0.48 1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 42.81 1njs n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1njs s ILE 32 N -2.53 0.00 -0.13 0.53 2.07 -1.22 -4.23 121.20 115.68 1njs s ILE 32 Ca -0.00 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1njs s ILE 32 Cb 0.09 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.68 1njs s ILE 32 CO 0.52 0.00 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.65 1njs s VAL 33 N -0.32 2.15 -0.15 4.00 1.01 -0.58 -1.41 120.40 125.10 1njs s VAL 33 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1njs s VAL 33 Cb -0.03 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1njs s VAL 33 CO 0.03 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.89 1njs s ILE 34 N 0.70 2.59 0.03 2.22 1.01 -0.35 -1.77 121.20 125.63 1njs s ILE 34 Ca -0.09 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1njs s ILE 34 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1njs s ILE 34 CO 0.01 0.52 0.04 -0.55 0.00 0.00 0.00 174.94 174.95 1njs s SER 35 N 0.84 5.33 0.00 3.58 0.15 -0.66 -0.92 113.70 122.02 1njs s SER 35 Ca -0.05 0.01 0.26 0.00 0.70 0.00 0.00 55.95 56.87 1njs s SER 35 Cb -0.15 -1.42 0.75 0.00 -1.71 0.00 0.00 66.02 63.48 1njs s SER 35 CO -0.01 0.24 1.56 -0.46 1.20 0.00 0.00 173.24 175.78 1njs n ASN 36 N 1.03 1.03 -4.13 5.45 6.94 -1.10 -0.84 115.26 123.64 1njs n ASN 36 Ca -0.12 -0.89 -0.27 0.00 -0.02 0.00 0.00 54.58 53.27 1njs n ASN 36 Cb 0.52 0.14 -0.16 0.00 -2.36 0.00 0.00 39.78 37.92 1njs n ASN 36 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1njs s LYS 37 N -2.50 2.03 0.57 -3.83 1.02 -1.26 -3.67 119.74 112.10 1njs s LYS 37 Ca 0.24 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1njs s LYS 37 Cb 0.19 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1njs s LYS 37 CO 0.52 0.19 1.09 0.00 -0.92 0.00 0.00 175.35 176.23 1njs s ALA 38 N 0.23 2.68 -0.70 5.17 0.00 -1.26 -4.14 121.76 123.73 1njs s ALA 38 Ca -0.09 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1njs s ALA 38 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1njs s ALA 38 CO 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 175.76 174.98 1njs n ALA 39 N -1.65 -0.10 -2.07 0.00 0.00 -1.26 -4.99 120.51 110.43 1njs n ALA 39 Ca 0.10 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1njs n ALA 39 Cb 0.52 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 1njs n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1njs s VAL 40 N -2.01 4.73 0.43 0.00 -7.23 -1.26 -4.99 120.40 110.08 1njs s VAL 40 Ca 0.00 0.75 0.09 0.00 -1.81 0.00 0.00 61.98 61.01 1njs s VAL 40 Cb 0.00 -3.76 0.27 0.00 0.56 0.00 0.00 36.38 33.45 1njs s VAL 40 CO 0.00 -0.67 2.07 0.00 -0.31 0.00 0.00 175.10 176.18 1njs h ALA 41 N 0.87 1.80 -0.41 1.32 0.00 -1.86 -2.44 119.26 118.54 1njs h ALA 41 Ca -0.47 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1njs h ALA 41 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1njs h ALA 41 CO 0.63 0.17 0.28 0.78 0.00 0.00 0.00 179.25 181.10 1njs h GLY 42 N 0.44 0.46 1.13 0.00 0.00 -0.94 -1.98 103.07 102.18 1njs h GLY 42 Ca 0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1njs h GLY 42 CO -0.03 0.13 0.03 1.41 0.00 0.00 0.00 176.54 178.08 1njs h LEU 43 N 0.39 1.01 -0.99 3.11 3.38 -1.67 -1.92 115.31 118.62 1njs h LEU 43 Ca 0.17 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1njs h LEU 43 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1njs h LEU 43 CO -0.04 1.05 0.02 0.44 0.09 0.00 0.00 178.44 179.99 1njs h ASP 44 N 0.96 0.71 -0.24 -0.43 3.32 -1.46 0.48 116.42 119.77 1njs h ASP 44 Ca 0.18 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1njs h ASP 44 Cb 0.51 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1njs h ASP 44 CO 0.02 0.77 0.15 0.11 -1.72 0.00 0.00 179.24 178.57 1njs h LYS 45 N 0.71 0.33 -0.14 3.56 1.57 -1.21 0.82 116.57 122.20 1njs h LYS 45 Ca 0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1njs h LYS 45 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1njs h LYS 45 CO 0.01 0.26 0.07 0.00 -0.57 0.00 0.00 179.45 179.22 1njs h ALA 46 N 1.05 0.18 -0.70 3.86 0.00 -1.10 -2.19 119.26 120.36 1njs h ALA 46 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1njs h ALA 46 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1njs h ALA 46 CO -0.02 -0.27 0.47 0.93 0.00 0.00 0.00 179.25 180.36 1njs h GLU 47 N 0.11 0.92 -0.47 0.00 5.08 -0.80 -0.97 114.58 118.45 1njs h GLU 47 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1njs h GLU 47 Cb 0.11 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1njs h GLU 47 CO -0.01 0.61 0.22 0.00 -1.00 0.00 0.00 179.01 178.83 1njs h ARG 48 N 0.95 0.65 0.00 2.33 3.08 -0.76 -1.31 114.38 119.32 1njs h ARG 48 Ca 0.26 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1njs h ARG 48 Cb -0.10 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1njs h ARG 48 CO -0.06 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 1njs n ALA 49 N -2.46 2.56 -2.62 0.04 0.00 -0.79 -4.91 120.51 112.32 1njs n ALA 49 Ca 0.04 -0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.14 1njs n ALA 49 Cb 0.13 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.17 1njs n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1njs n GLY 50 N 0.77 -0.30 3.67 0.00 0.00 -0.49 -5.01 105.19 103.83 1njs n GLY 50 Ca 0.19 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1njs n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1njs s ILE 51 N -2.95 5.09 0.38 -0.61 1.01 -0.44 -5.02 121.20 118.66 1njs s ILE 51 Ca 0.13 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 1njs s ILE 51 Cb -0.06 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.98 1njs s ILE 51 CO 0.17 0.44 1.03 -2.65 0.00 0.00 0.00 174.94 173.92 1njs n PRO 52 N 3.65 1.41 -4.26 2.79 -0.02 -1.26 -4.11 135.00 133.20 1njs n PRO 52 Ca -0.16 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.63 1njs n PRO 52 Cb 0.52 -2.01 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 1njs n PRO 52 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1njs s THR 53 N -1.21 1.45 0.03 3.45 -4.23 -1.26 -1.53 115.64 112.34 1njs s THR 53 Ca 0.61 -1.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1njs s THR 53 Cb -0.59 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1njs s THR 53 CO 0.58 -0.38 -0.07 -0.13 -0.54 0.00 0.00 174.62 174.07 1njs s ARG 54 N -2.68 0.51 -0.22 3.99 1.81 -0.73 -4.97 118.95 116.67 1njs s ARG 54 Ca 0.10 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.44 1njs s ARG 54 Cb -0.05 -0.33 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 1njs s ARG 54 CO 0.04 0.07 -0.04 0.08 -0.68 0.00 0.00 175.30 174.77 1njs s VAL 55 N -1.10 3.46 -0.34 3.52 1.01 -1.26 -1.65 120.40 124.03 1njs s VAL 55 Ca -0.07 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1njs s VAL 55 Cb -0.08 -2.57 0.10 0.00 0.00 0.00 0.00 36.38 33.82 1njs s VAL 55 CO 0.00 0.42 0.06 -0.63 0.00 0.00 0.00 175.10 174.95 1njs s ILE 56 N 1.40 2.40 -0.42 2.22 1.01 -0.02 -4.99 121.20 122.79 1njs s ILE 56 Ca 0.05 -2.27 -0.28 0.00 0.00 0.00 0.00 60.65 58.15 1njs s ILE 56 Cb -0.14 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 1njs s ILE 56 CO -0.02 -0.57 1.60 0.21 0.00 0.00 0.00 174.94 176.15 1njs s ASN 57 N 1.02 6.04 0.59 3.58 3.84 -1.26 -4.07 114.94 124.69 1njs s ASN 57 Ca 0.09 0.89 0.29 0.00 0.21 0.00 0.00 52.86 54.34 1njs s ASN 57 Cb -0.19 -2.53 1.81 0.00 -0.55 0.00 0.00 41.25 39.78 1njs s ASN 57 CO -0.07 -1.66 2.25 1.12 -2.79 0.00 0.00 177.10 175.94 1njs h HIS 58 N 11.97 0.00 0.00 0.43 2.07 -1.94 -1.60 115.15 126.08 1njs h HIS 58 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1njs h HIS 58 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1njs h HIS 58 CO 0.98 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 176.71 1njs h LYS 59 N 0.00 0.00 -0.05 5.12 1.57 -1.90 -2.97 116.57 118.35 1njs h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1njs h LYS 59 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1njs h LYS 59 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1njs n LEU 60 N -2.54 0.56 -4.34 2.94 4.77 -0.60 -4.87 117.00 112.92 1njs n LEU 60 Ca 0.02 -0.23 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 1njs n LEU 60 Cb 0.27 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1njs n LEU 60 CO 0.23 0.11 -0.55 -0.31 -1.33 0.00 0.00 177.39 175.54 1njs s TYR 61 N -1.93 2.15 0.19 -1.77 1.51 -1.12 -5.05 117.35 111.32 1njs s TYR 61 Ca 0.30 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.88 1njs s TYR 61 Cb 0.15 -1.23 0.08 0.00 -0.11 0.00 0.00 41.96 40.85 1njs s TYR 61 CO 0.24 0.20 1.65 -0.22 -1.11 0.00 0.00 175.55 176.31 1njs h LYS 62 N 4.39 1.07 -4.25 -0.62 3.64 -1.89 -3.47 116.57 115.44 1njs h LYS 62 Ca -0.47 -0.34 -0.29 0.00 -1.27 0.00 0.00 60.65 58.28 1njs h LYS 62 Cb 1.16 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.79 1njs h LYS 62 CO 0.41 1.04 -0.27 0.54 -2.27 0.00 0.00 179.45 178.91 1njs s ASN 63 N -6.59 0.90 0.21 4.20 2.20 -1.26 -5.07 114.94 109.53 1njs s ASN 63 Ca -0.12 -1.48 -0.08 0.00 -0.94 0.00 0.00 52.86 50.25 1njs s ASN 63 Cb 0.14 0.62 0.15 0.00 -2.00 0.00 0.00 41.25 40.16 1njs s ASN 63 CO 0.86 -1.21 1.77 0.03 -2.94 0.00 0.00 177.10 175.60 1njs h ARG 64 N 2.17 1.18 -0.64 3.55 3.08 -1.96 -2.89 114.38 118.88 1njs h ARG 64 Ca -0.28 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.51 1njs h ARG 64 Cb 1.24 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1njs h ARG 64 CO 0.39 0.98 0.30 0.28 -1.07 0.00 0.00 179.97 180.85 1njs h VAL 65 N 1.15 1.22 -0.27 2.04 2.07 -1.98 0.15 116.25 120.63 1njs h VAL 65 Ca 0.26 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1njs h VAL 65 Cb 0.26 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1njs h VAL 65 CO -0.02 0.25 -0.06 -0.33 0.02 0.00 0.00 177.57 177.44 1njs h GLU 66 N 0.88 0.51 -0.02 1.57 5.08 -1.98 0.10 114.58 120.72 1njs h GLU 66 Ca 0.22 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1njs h GLU 66 Cb 0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1njs h GLU 66 CO -0.03 0.72 -0.06 0.35 -1.00 0.00 0.00 179.01 178.99 1njs h PHE 67 N 0.27 -0.16 -0.53 4.33 3.57 -1.28 -1.38 116.94 121.75 1njs h PHE 67 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1njs h PHE 67 Cb 0.53 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1njs h PHE 67 CO 0.05 -0.10 0.28 -0.44 -2.23 0.00 0.00 178.31 175.87 1njs h ASP 68 N -0.10 0.65 -0.37 0.41 3.32 -0.66 -1.40 116.42 118.27 1njs h ASP 68 Ca 0.03 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1njs h ASP 68 Cb 0.15 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1njs h ASP 68 CO -0.08 0.53 0.11 0.28 -1.72 0.00 0.00 179.24 178.36 1njs h SER 69 N 0.74 0.62 -0.11 6.45 0.02 -0.42 -0.06 113.55 120.79 1njs h SER 69 Ca 0.19 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1njs h SER 69 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1njs h SER 69 CO -0.03 0.61 -0.37 0.00 -1.14 0.00 0.00 176.83 175.91 1njs h ALA 70 N 1.47 0.85 -0.11 3.77 0.00 -0.22 -1.36 119.26 123.65 1njs h ALA 70 Ca 0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1njs h ALA 70 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1njs h ALA 70 CO -0.00 0.64 0.05 0.82 0.00 0.00 0.00 179.25 180.76 1njs h ILE 71 N 0.52 1.13 -0.67 0.00 2.04 -0.88 -3.04 117.51 116.61 1njs h ILE 71 Ca 0.05 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1njs h ILE 71 Cb 0.87 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1njs h ILE 71 CO 0.08 0.12 0.39 -0.78 0.00 0.00 0.00 178.15 177.95 1njs h ASP 72 N 0.04 0.81 -0.25 1.72 3.58 -0.87 -0.54 116.42 120.90 1njs h ASP 72 Ca 0.04 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.50 1njs h ASP 72 Cb 0.15 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 1njs h ASP 72 CO -0.00 0.63 -0.15 -0.07 -2.88 0.00 0.00 179.24 176.76 1njs h LEU 73 N 0.92 -0.51 -0.21 2.28 3.38 -1.16 0.22 115.31 120.24 1njs h LEU 73 Ca 0.24 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1njs h LEU 73 Cb -0.02 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1njs h LEU 73 CO -0.04 -0.19 0.07 0.58 0.09 0.00 0.00 178.44 178.95 1njs h VAL 74 N -0.13 1.18 -0.92 1.22 2.07 -1.25 -0.69 116.25 117.72 1njs h VAL 74 Ca 0.14 -0.58 0.16 0.00 0.82 0.00 0.00 66.70 67.24 1njs h VAL 74 Cb 0.34 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 1njs h VAL 74 CO -0.34 0.18 0.52 -0.07 0.02 0.00 0.00 177.57 177.89 1njs h LEU 75 N 0.17 0.67 -0.33 2.57 3.38 -0.80 -1.07 115.31 119.90 1njs h LEU 75 Ca 0.07 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1njs h LEU 75 Cb 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1njs h LEU 75 CO -0.00 0.27 -0.12 -0.33 0.09 0.00 0.00 178.44 178.35 1njs h GLU 76 N 0.72 0.67 -0.69 1.13 4.39 -0.66 -1.55 114.58 118.58 1njs h GLU 76 Ca 0.51 -0.27 0.09 0.00 0.34 0.00 0.00 59.36 60.02 1njs h GLU 76 Cb 0.73 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.30 1njs h GLU 76 CO -0.36 0.86 0.46 1.49 -1.16 0.00 0.00 179.01 180.30 1njs h GLU 77 N 0.45 0.59 -0.51 2.33 4.81 -0.29 -1.60 114.58 120.35 1njs h GLU 77 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1njs h GLU 77 Cb 0.63 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1njs h GLU 77 CO 0.04 0.39 0.00 1.19 -0.73 0.00 0.00 179.01 179.90 1njs n PHE 78 N -4.49 0.68 -3.96 0.92 3.01 -0.48 -4.97 117.46 108.17 1njs n PHE 78 Ca 0.11 -0.34 -0.26 0.00 1.01 0.00 0.00 57.45 57.97 1njs n PHE 78 Cb 0.32 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.76 1njs n PHE 78 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1njs n SER 79 N 1.10 -0.38 -4.75 4.37 7.64 -0.60 -4.92 113.62 116.09 1njs n SER 79 Ca 0.19 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.65 1njs n SER 79 Cb 0.47 -3.03 -0.06 0.00 -1.01 0.00 0.00 64.21 60.58 1njs n SER 79 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1njs s ILE 80 N -3.95 4.16 -0.22 0.44 -1.09 -0.63 -4.72 121.20 115.19 1njs s ILE 80 Ca 0.02 2.08 0.09 0.00 -2.23 0.00 0.00 60.65 60.61 1njs s ILE 80 Cb -0.01 -4.32 -0.20 0.00 -1.58 0.00 0.00 42.46 36.35 1njs s ILE 80 CO 0.89 0.45 -0.09 0.47 -1.23 0.00 0.00 174.94 175.44 1njs n ASP 81 N 1.79 1.20 -3.89 3.58 8.00 0.74 -4.94 116.55 123.03 1njs n ASP 81 Ca -0.01 -0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.29 1njs n ASP 81 Cb 0.47 0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 41.67 1njs n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1njs s ILE 82 N -2.49 0.11 -0.10 0.53 1.01 -0.82 -4.85 121.20 114.58 1njs s ILE 82 Ca -0.23 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1njs s ILE 82 Cb 0.07 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.42 1njs s ILE 82 CO 0.68 0.04 -0.14 -0.69 0.00 0.00 0.00 174.94 174.83 1njs s VAL 83 N 0.04 3.01 -0.09 2.92 1.01 0.20 -1.18 120.40 126.32 1njs s VAL 83 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1njs s VAL 83 Cb -0.01 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1njs s VAL 83 CO -0.00 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.51 1njs s LEU 85 N -0.15 4.19 -0.52 0.00 1.43 0.53 -0.68 118.68 123.48 1njs s LEU 85 Ca -0.01 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1njs s LEU 85 Cb -0.13 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 43.88 1njs s LEU 85 CO 0.03 -0.22 0.28 0.00 0.23 0.00 0.00 176.35 176.67 1njs s ALA 86 N 2.00 3.19 -1.49 4.21 0.00 -0.48 -3.33 121.76 125.86 1njs s ALA 86 Ca 0.12 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 48.85 1njs s ALA 86 Cb -0.16 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1njs s ALA 86 CO 0.11 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1njs n GLY 87 N 3.06 0.71 3.71 0.00 0.00 -1.26 -4.42 105.19 106.98 1njs n GLY 87 Ca 0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1njs n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1njs s PHE 88 N -2.67 3.36 -0.50 1.61 5.36 -1.25 -2.76 117.98 121.12 1njs s PHE 88 Ca 0.00 1.25 0.07 0.00 -0.96 0.00 0.00 56.93 57.28 1njs s PHE 88 Cb 0.00 -3.44 0.19 0.00 -0.34 0.00 0.00 43.02 39.43 1njs s PHE 88 CO 0.00 -1.39 1.16 -1.33 -1.46 0.00 0.00 175.22 172.20 1njs n MET 89 N 4.22 2.88 -3.67 10.12 2.81 -1.26 -4.91 117.12 127.31 1njs n MET 89 Ca 0.10 -1.87 -0.36 0.00 -1.81 0.00 0.00 57.70 53.75 1njs n MET 89 Cb 0.46 -1.19 -0.09 0.00 -0.71 0.00 0.00 33.22 31.69 1njs n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1njs s ARG 90 N -1.12 4.11 0.08 0.03 1.81 -1.26 -5.06 118.95 117.54 1njs s ARG 90 Ca 0.15 -0.23 -0.31 0.00 -1.72 0.00 0.00 55.73 53.61 1njs s ARG 90 Cb 0.08 -3.50 -0.07 0.00 -0.45 0.00 0.00 34.95 31.01 1njs s ARG 90 CO 0.09 0.13 1.41 0.42 -0.68 0.00 0.00 175.30 176.67 1njs s ILE 91 N 0.84 3.39 0.24 1.52 1.01 -1.26 -5.01 121.20 121.94 1njs s ILE 91 Ca 0.08 0.95 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 1njs s ILE 91 Cb -0.13 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 1njs s ILE 91 CO 0.03 0.05 0.57 -0.76 0.00 0.00 0.00 174.94 174.83 1njs s LEU 92 N 1.50 4.16 0.60 2.97 1.43 -1.26 -5.03 118.68 123.04 1njs s LEU 92 Ca 0.65 0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1njs s LEU 92 Cb -0.36 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1njs s LEU 92 CO 0.29 -0.09 1.08 -0.94 0.23 0.00 0.00 176.35 176.93 1njs s SER 93 N -2.33 5.62 0.16 2.29 1.04 -1.26 -4.85 113.70 114.37 1njs s SER 93 Ca 0.48 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.52 1njs s SER 93 Cb -0.11 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 1njs s SER 93 CO 0.21 -1.28 1.54 1.23 0.98 0.00 0.00 173.24 175.92 1njs h GLY 94 N 0.46 -0.77 1.04 7.32 0.00 -1.97 -1.59 103.07 107.55 1njs h GLY 94 Ca -0.47 0.77 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1njs h GLY 94 CO 0.57 0.01 0.41 -2.55 0.00 0.00 0.00 176.54 174.97 1njs h PRO 95 N -0.04 1.22 0.30 4.80 0.11 -1.98 0.16 132.00 136.56 1njs h PRO 95 Ca 0.17 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1njs h PRO 95 Cb 0.45 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1njs h PRO 95 CO -0.91 0.93 -0.14 0.35 -0.21 0.00 0.00 178.00 178.02 1njs h PHE 96 N 1.20 -0.37 -0.64 0.65 3.04 -1.89 -0.62 116.94 118.32 1njs h PHE 96 Ca 0.29 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.33 1njs h PHE 96 Cb 0.11 0.12 -0.08 0.00 2.56 0.00 0.00 35.95 38.67 1njs h PHE 96 CO 0.01 -0.20 0.24 0.28 -2.02 0.00 0.00 178.31 176.63 1njs h VAL 97 N -0.44 0.76 -0.35 1.41 2.07 -1.03 -1.18 116.25 117.49 1njs h VAL 97 Ca -0.04 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1njs h VAL 97 Cb 0.34 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1njs h VAL 97 CO 0.07 0.08 0.17 1.56 0.02 0.00 0.00 177.57 179.46 1njs h GLN 98 N 0.42 0.49 -0.94 1.57 4.20 -0.52 -1.20 115.11 119.14 1njs h GLN 98 Ca 0.32 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.98 1njs h GLN 98 Cb 0.41 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 1njs h GLN 98 CO -0.32 0.44 0.62 -0.22 -0.67 0.00 0.00 178.83 178.69 1njs h LYS 99 N 0.42 1.22 -0.55 1.46 3.64 -0.52 -2.66 116.57 119.59 1njs h LYS 99 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1njs h LYS 99 Cb 0.11 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1njs h LYS 99 CO -0.02 0.80 0.00 0.91 -2.27 0.00 0.00 179.45 178.88 1njs n TRP 100 N -4.44 0.82 -1.67 1.91 7.02 -0.50 -4.97 117.44 115.61 1njs n TRP 100 Ca 0.11 -0.37 -0.51 0.00 -1.02 0.00 0.00 57.50 55.71 1njs n TRP 100 Cb 0.03 -0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 28.79 1njs n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1njs n ASN 101 N 0.88 2.75 0.00 -0.99 4.05 -0.48 -0.11 115.26 121.36 1njs n ASN 101 Ca 0.17 1.05 0.00 0.00 0.45 0.00 0.00 54.58 56.25 1njs n ASN 101 Cb 0.52 -1.29 0.00 0.00 1.23 0.00 0.00 39.78 40.24 1njs n ASN 101 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1njs n GLY 102 N 3.80 1.03 0.00 8.20 0.00 -1.26 -4.84 105.19 112.12 1njs n GLY 102 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1njs n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1njs n LYS 103 N -2.00 1.82 -4.00 1.61 4.76 0.84 -4.72 118.16 116.47 1njs n LYS 103 Ca 0.00 -1.11 -0.22 0.00 -2.87 0.00 0.00 58.31 54.11 1njs n LYS 103 Cb 0.00 -0.81 -0.17 0.00 -1.84 0.00 0.00 35.03 32.21 1njs n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1njs s MET 104 N -0.62 0.85 0.11 1.97 1.75 -1.06 -0.63 119.30 121.67 1njs s MET 104 Ca 0.00 -0.05 0.08 0.00 -1.25 0.00 0.00 55.69 54.47 1njs s MET 104 Cb 0.00 -0.99 -0.04 0.00 2.84 0.00 0.00 34.83 36.64 1njs s MET 104 CO 0.00 -0.18 -0.14 -0.51 -0.65 0.00 0.00 175.02 173.54 1njs s LEU 105 N 1.38 2.86 0.06 4.11 1.43 0.34 -1.12 118.68 127.74 1njs s LEU 105 Ca -0.04 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1njs s LEU 105 Cb -0.13 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1njs s LEU 105 CO -0.03 0.18 -0.15 0.21 0.23 0.00 0.00 176.35 176.79 1njs s ASN 106 N -2.14 1.80 -0.13 2.29 2.47 -0.28 -0.35 114.94 118.61 1njs s ASN 106 Ca 0.19 -0.53 -0.04 0.00 0.42 0.00 0.00 52.86 52.90 1njs s ASN 106 Cb -0.11 -0.10 -0.03 0.00 -1.45 0.00 0.00 41.25 39.56 1njs s ASN 106 CO 0.12 0.01 0.02 -0.51 -3.72 0.00 0.00 177.10 173.01 1njs s ILE 107 N -1.01 4.44 -0.04 -5.21 1.10 -1.21 -1.66 121.20 117.60 1njs s ILE 107 Ca 0.01 -0.18 0.02 0.00 -0.51 0.00 0.00 60.65 59.99 1njs s ILE 107 Cb -0.09 -2.92 0.01 0.00 0.15 0.00 0.00 42.46 39.61 1njs s ILE 107 CO 0.02 0.55 -0.09 -2.28 -2.11 0.00 0.00 174.94 171.03 1njs s HIS 108 N -0.35 1.05 -0.81 3.50 5.65 0.10 -4.78 115.29 119.65 1njs s HIS 108 Ca 0.08 -0.32 -0.05 0.00 0.25 0.00 0.00 55.06 55.01 1njs s HIS 108 Cb -0.12 -0.80 0.03 0.00 -1.18 0.00 0.00 32.58 30.50 1njs s HIS 108 CO 0.02 -0.18 2.77 -0.35 -0.65 0.00 0.00 174.74 176.34 1njs n PRO 109 N 3.69 3.25 -4.00 2.88 -0.04 -1.26 -0.68 135.00 138.83 1njs n PRO 109 Ca -0.22 -2.55 -0.10 0.00 -0.04 0.00 0.00 63.50 60.58 1njs n PRO 109 Cb 0.52 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.58 1njs n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1njs s SER 110 N 0.74 0.14 -1.00 3.54 1.04 -0.53 -4.51 113.70 113.12 1njs s SER 110 Ca 0.59 -1.07 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 1njs s SER 110 Cb 0.29 0.63 0.12 0.00 0.10 0.00 0.00 66.02 67.16 1njs s SER 110 CO -0.13 -1.23 1.24 -0.76 0.98 0.00 0.00 173.24 173.34 1njs s LEU 111 N -3.07 4.77 0.49 2.42 1.43 -1.25 -2.29 118.68 121.19 1njs s LEU 111 Ca 0.24 -2.11 -0.22 0.00 -1.03 0.00 0.00 54.13 51.01 1njs s LEU 111 Cb -0.01 -2.43 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1njs s LEU 111 CO 0.12 -1.09 0.99 0.18 0.23 0.00 0.00 176.35 176.78 1njs n LEU 112 N 6.84 3.01 -0.35 1.79 4.77 -1.26 -1.91 117.00 129.90 1njs n LEU 112 Ca 0.28 0.94 0.09 0.00 -0.03 0.00 0.00 56.01 57.29 1njs n LEU 112 Cb 0.48 -1.37 0.39 0.00 -2.33 0.00 0.00 43.42 40.59 1njs n LEU 112 CO 0.55 -1.63 0.77 -0.81 -1.33 0.00 0.00 177.39 174.94 1njs n PRO 113 N -0.28 1.46 -2.09 3.23 -0.04 -1.26 -5.08 135.00 130.93 1njs n PRO 113 Ca 0.11 -0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 62.49 1njs n PRO 113 Cb 0.43 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1njs n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1njs s SER 114 N -1.48 6.11 -1.20 3.54 0.01 -0.80 -4.25 113.70 115.63 1njs s SER 114 Ca 0.28 2.54 -0.03 0.00 1.31 0.00 0.00 55.95 60.05 1njs s SER 114 Cb 0.14 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1njs s SER 114 CO 0.22 -0.97 0.87 0.49 0.41 0.00 0.00 173.24 174.26 1njs n PHE 115 N -0.25 -2.13 -1.82 2.43 3.72 -1.26 -4.46 117.46 113.68 1njs n PHE 115 Ca 0.06 0.86 -0.35 0.00 -0.05 0.00 0.00 57.45 57.97 1njs n PHE 115 Cb 0.45 -4.58 0.05 0.00 -0.94 0.00 0.00 39.48 34.47 1njs n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1njs s LYS 116 N -5.41 2.70 0.00 -1.08 1.02 -1.26 -4.57 119.74 111.14 1njs s LYS 116 Ca 0.12 1.81 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1njs s LYS 116 Cb -0.02 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1njs s LYS 116 CO 0.77 -1.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 1njs n GLY 117 N 0.45 1.03 0.05 -3.33 0.00 -1.26 -4.79 105.19 97.34 1njs n GLY 117 Ca 0.14 -2.09 0.15 0.00 0.00 0.00 0.00 46.02 44.22 1njs n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1njs n SER 118 N 0.00 0.19 -2.21 1.61 3.41 -1.26 -3.61 113.62 111.75 1njs n SER 118 Ca 0.00 -0.67 -0.26 0.00 -0.26 0.00 0.00 58.87 57.69 1njs n SER 118 Cb 0.00 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1njs n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1njs n ASN 119 N -1.01 5.02 -0.24 4.04 6.94 -1.26 -4.89 115.26 123.86 1njs n ASN 119 Ca 0.19 -3.74 0.03 0.00 -0.02 0.00 0.00 54.58 51.03 1njs n ASN 119 Cb 0.20 -0.42 0.26 0.00 -2.36 0.00 0.00 39.78 37.46 1njs n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1njs h ALA 120 N 2.33 1.52 -0.58 -2.53 0.00 -1.80 -1.95 119.26 116.25 1njs h ALA 120 Ca 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1njs h ALA 120 Cb 1.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1njs h ALA 120 CO 0.84 0.39 0.12 0.45 0.00 0.00 0.00 179.25 181.05 1njs h HIS 121 N 0.98 0.99 -0.75 0.00 3.86 -1.90 -0.73 115.15 117.59 1njs h HIS 121 Ca 0.32 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1njs h HIS 121 Cb 0.05 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1njs h HIS 121 CO -0.00 0.85 0.41 1.49 0.86 0.00 0.00 177.93 181.54 1njs h GLU 122 N 0.84 1.05 -0.41 2.45 4.81 -1.85 -1.84 114.58 119.62 1njs h GLU 122 Ca 0.18 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1njs h GLU 122 Cb 0.38 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1njs h GLU 122 CO 0.01 0.78 0.10 1.96 -0.73 0.00 0.00 179.01 181.12 1njs h GLN 123 N 1.04 0.67 -0.38 1.92 4.20 -1.05 -1.60 115.11 119.90 1njs h GLN 123 Ca 0.26 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1njs h GLN 123 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1njs h GLN 123 CO -0.04 0.69 0.24 0.00 -0.67 0.00 0.00 178.83 179.05 1njs h ALA 124 N 0.95 0.48 -0.41 3.87 0.00 -0.90 0.56 119.26 123.81 1njs h ALA 124 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1njs h ALA 124 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1njs h ALA 124 CO 0.00 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.10 1njs h LEU 125 N 0.50 0.75 -1.07 0.00 -0.00 -1.28 -0.96 115.31 113.24 1njs h LEU 125 Ca 0.14 -0.33 -0.06 0.00 -0.00 0.00 0.00 57.88 57.63 1njs h LEU 125 Cb -0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 1njs h LEU 125 CO -0.03 0.90 0.05 -0.33 -0.00 0.00 0.00 178.44 179.03 1njs h GLU 126 N 0.58 0.71 0.00 1.13 5.08 -1.11 -2.66 114.58 118.31 1njs h GLU 126 Ca 0.11 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1njs h GLU 126 Cb 0.54 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1njs h GLU 126 CO 0.03 0.69 -0.41 1.15 -1.00 0.00 0.00 179.01 179.47 1njs h THR 127 N 0.68 0.89 -0.02 1.13 2.02 -0.72 -3.48 112.91 113.42 1njs h THR 127 Ca 0.14 -1.66 -0.00 0.00 0.77 0.00 0.00 66.41 65.66 1njs h THR 127 Cb 0.35 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1njs h THR 127 CO 0.01 0.40 -0.00 0.61 0.37 0.00 0.00 175.52 176.90 1njs n GLY 128 N 0.40 0.38 3.71 2.16 0.00 -0.38 -5.04 105.19 106.42 1njs n GLY 128 Ca 0.00 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1njs n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1njs n VAL 129 N -3.39 4.66 0.90 1.61 0.24 -1.17 -4.94 118.33 116.24 1njs n VAL 129 Ca -0.00 -0.50 0.09 0.00 -2.04 0.00 0.00 64.34 61.89 1njs n VAL 129 Cb 0.20 -1.45 -0.07 0.00 -1.47 0.00 0.00 33.84 31.05 1njs n VAL 129 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1njs n THR 130 N -1.81 0.00 -3.97 3.34 -2.24 -1.26 -4.73 114.28 103.61 1njs n THR 130 Ca 0.15 -0.13 -0.23 0.00 -2.27 0.00 0.00 64.05 61.57 1njs n THR 130 Cb 0.48 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.62 1njs n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1njs s VAL 131 N -2.62 0.66 0.00 2.28 1.01 -1.26 -0.51 120.40 119.96 1njs s VAL 131 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1njs s VAL 131 Cb 0.15 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1njs s VAL 131 CO 0.69 0.29 0.00 1.07 0.00 0.00 0.00 175.10 177.15 1njs n THR 132 N 4.70 0.00 -2.36 3.92 5.66 0.65 -4.91 114.28 121.95 1njs n THR 132 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1njs n THR 132 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1njs n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1njs n GLY 133 N 4.01 -0.53 3.08 1.09 0.00 -1.26 0.27 105.19 111.85 1njs n GLY 133 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 1njs n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1njs s THR 135 N -3.46 0.49 -0.21 0.00 2.01 0.14 -1.76 115.64 112.86 1njs s THR 135 Ca 0.04 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1njs s THR 135 Cb 0.05 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 72.01 1njs s THR 135 CO -0.08 0.20 0.16 -0.69 -0.69 0.00 0.00 174.62 173.51 1njs s VAL 136 N 0.63 5.38 0.06 3.82 1.01 -0.08 -0.73 120.40 130.49 1njs s VAL 136 Ca -0.08 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1njs s VAL 136 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1njs s VAL 136 CO -0.00 0.41 -0.06 -1.38 0.00 0.00 0.00 175.10 174.07 1njs s HIS 137 N 0.57 0.65 0.50 5.22 -0.00 -0.66 -0.56 115.29 121.01 1njs s HIS 137 Ca 0.09 -0.77 -0.22 0.00 -0.00 0.00 0.00 55.06 54.16 1njs s HIS 137 Cb -0.12 -0.40 -0.06 0.00 -0.00 0.00 0.00 32.58 32.00 1njs s HIS 137 CO 0.00 -0.19 1.25 -0.06 -0.00 0.00 0.00 174.74 175.75 1njs s PHE 138 N -2.70 2.59 -0.15 0.38 0.08 0.73 -1.13 117.98 117.78 1njs s PHE 138 Ca 0.00 1.46 -0.27 0.00 0.12 0.00 0.00 56.93 58.25 1njs s PHE 138 Cb -0.01 -3.57 -0.01 0.00 -0.57 0.00 0.00 43.02 38.86 1njs s PHE 138 CO -0.04 -2.15 0.90 0.08 -0.10 0.00 0.00 175.22 173.92 1njs s VAL 139 N -1.44 4.84 0.40 -0.44 1.01 -0.28 -3.73 120.40 120.76 1njs s VAL 139 Ca 0.68 1.79 0.07 0.00 0.00 0.00 0.00 61.98 64.52 1njs s VAL 139 Cb -0.34 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1njs s VAL 139 CO 0.40 0.01 0.13 0.00 0.00 0.00 0.00 175.10 175.64 1njs s ALA 140 N 2.16 3.46 0.16 5.51 0.00 -1.26 -4.77 121.76 127.02 1njs s ALA 140 Ca 0.42 -2.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.08 1njs s ALA 140 Cb -0.17 -0.28 0.10 0.00 0.00 0.00 0.00 23.12 22.77 1njs s ALA 140 CO 0.14 -0.13 1.68 1.49 0.00 0.00 0.00 175.76 178.94 1njs h GLU 141 N 1.54 0.03 -6.30 0.00 4.81 -1.94 -3.39 114.58 109.33 1njs h GLU 141 Ca -0.43 -0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.25 1njs h GLU 141 Cb 1.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1njs h GLU 141 CO 0.72 0.02 0.77 -0.51 -0.73 0.00 0.00 179.01 179.28 1njs s ASP 142 N -5.23 6.98 0.18 1.04 1.11 -1.26 -4.95 116.67 114.55 1njs s ASP 142 Ca -0.14 1.87 -0.33 0.00 0.18 0.00 0.00 52.55 54.13 1njs s ASP 142 Cb 0.14 -2.56 -0.14 0.00 1.07 0.00 0.00 42.92 41.43 1njs s ASP 142 CO 0.71 -0.65 1.45 0.55 1.18 0.00 0.00 175.17 178.41 1njs n VAL 143 N 4.75 0.45 -3.08 -1.27 3.14 -1.26 -2.50 118.33 118.56 1njs n VAL 143 Ca 0.12 -0.11 -0.21 0.00 -2.96 0.00 0.00 64.34 61.17 1njs n VAL 143 Cb 0.45 -1.37 0.01 0.00 -1.06 0.00 0.00 33.84 31.88 1njs n VAL 143 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1njs n ASP 144 N 2.69 -4.75 0.00 6.55 8.00 -1.26 -4.82 116.55 122.96 1njs n ASP 144 Ca 0.15 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1njs n ASP 144 Cb 0.28 -3.90 0.00 0.00 -0.02 0.00 0.00 41.12 37.48 1njs n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1njs n ALA 145 N -3.32 1.00 -1.29 2.24 0.00 -1.04 -4.95 120.51 113.15 1njs n ALA 145 Ca -0.08 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.67 1njs n ALA 145 Cb 0.59 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.20 1njs n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1njs s GLY 146 N -0.15 1.57 0.28 0.00 0.00 -1.25 -4.91 107.32 102.86 1njs s GLY 146 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 1njs s GLY 146 CO 0.00 0.17 1.49 1.20 0.00 0.00 0.00 173.10 175.96 1njs s GLN 147 N -5.07 4.21 -0.05 2.90 -1.52 -1.24 -4.59 119.66 114.29 1njs s GLN 147 Ca 0.65 2.41 -0.25 0.00 -1.95 0.00 0.00 55.36 56.22 1njs s GLN 147 Cb -0.17 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 1njs s GLN 147 CO 0.56 -0.49 0.76 0.42 -0.25 0.00 0.00 175.29 176.29 1njs s ILE 148 N -0.15 5.00 -0.20 1.08 1.01 -1.26 -0.19 121.20 126.48 1njs s ILE 148 Ca 0.60 1.58 -0.16 0.00 0.00 0.00 0.00 60.65 62.67 1njs s ILE 148 Cb -0.44 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 37.85 1njs s ILE 148 CO 0.47 0.24 -0.31 -0.38 0.00 0.00 0.00 174.94 174.96 1njs n ILE 149 N 3.76 1.50 -4.00 2.92 5.41 0.27 -4.94 119.36 124.28 1njs n ILE 149 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1njs n ILE 149 Cb 0.51 -2.22 -0.10 0.00 -0.71 0.00 0.00 39.64 37.12 1njs n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1njs s LEU 150 N -7.84 2.19 0.04 1.39 1.43 -1.13 -5.02 118.68 109.74 1njs s LEU 150 Ca -0.30 -0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1njs s LEU 150 Cb 0.07 0.30 -0.03 0.00 0.03 0.00 0.00 46.19 46.56 1njs s LEU 150 CO 0.43 -0.48 0.01 -1.10 0.23 0.00 0.00 176.35 175.44 1njs s GLN 151 N -2.76 0.55 -0.05 1.70 -0.21 -1.26 -0.91 119.66 116.72 1njs s GLN 151 Ca -0.04 -0.96 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 1njs s GLN 151 Cb -0.00 0.20 0.04 0.00 1.00 0.00 0.00 33.01 34.24 1njs s GLN 151 CO -0.06 -0.11 0.11 -2.00 -2.12 0.00 0.00 175.29 171.11 1njs s GLU 152 N -3.05 0.04 0.38 2.91 2.12 -0.72 -4.99 118.70 115.39 1njs s GLU 152 Ca -0.01 0.35 -0.24 0.00 0.36 0.00 0.00 54.97 55.43 1njs s GLU 152 Cb 0.02 -0.23 -0.10 0.00 0.26 0.00 0.00 34.13 34.07 1njs s GLU 152 CO -0.07 -0.20 0.98 0.00 -0.54 0.00 0.00 175.26 175.44 1njs s ALA 153 N 1.37 3.11 -0.02 6.30 0.00 -1.26 -1.51 121.76 129.75 1njs s ALA 153 Ca -0.06 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1njs s ALA 153 Cb -0.12 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1njs s ALA 153 CO -0.05 0.02 -0.01 0.08 0.00 0.00 0.00 175.76 175.80 1njs s VAL 154 N -1.79 0.20 0.48 0.00 1.01 0.14 -4.89 120.40 115.56 1njs s VAL 154 Ca 0.56 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 1njs s VAL 154 Cb -0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.89 1njs s VAL 154 CO 0.22 0.12 1.17 -2.16 0.00 0.00 0.00 175.10 174.44 1njs s PRO 155 N 0.66 3.64 -0.18 2.72 0.04 -1.26 -0.25 135.00 140.37 1njs s PRO 155 Ca -0.07 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1njs s PRO 155 Cb -0.10 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 1njs s PRO 155 CO -0.01 -0.65 0.27 0.08 0.04 0.00 0.00 177.00 176.73 1njs s VAL 156 N -1.58 5.32 -0.05 -0.36 1.01 0.33 -4.78 120.40 120.28 1njs s VAL 156 Ca 0.66 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.98 1njs s VAL 156 Cb -0.28 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1njs s VAL 156 CO 0.34 0.38 0.36 -0.54 0.00 0.00 0.00 175.10 175.63 1njs s LYS 157 N 0.61 3.95 0.19 2.72 1.02 -1.26 -4.82 119.74 122.15 1njs s LYS 157 Ca 0.15 0.29 -0.33 0.00 0.02 0.00 0.00 55.97 56.10 1njs s LYS 157 Cb -0.13 -3.27 -0.13 0.00 -0.52 0.00 0.00 37.83 33.78 1njs s LYS 157 CO 0.03 0.58 1.65 0.54 -0.92 0.00 0.00 175.35 177.23 1njs n ARG 158 N 2.30 2.48 -0.13 1.68 1.74 -1.26 -1.18 116.66 122.29 1njs n ARG 158 Ca -0.14 0.89 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1njs n ARG 158 Cb 0.53 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 1njs n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1njs n GLY 159 N 3.62 0.68 3.58 -0.13 0.00 -1.26 -5.04 105.19 106.64 1njs n GLY 159 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1njs n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1njs n ASP 160 N 0.00 1.02 -4.97 1.61 8.00 -0.32 -5.03 116.55 116.85 1njs n ASP 160 Ca 0.00 1.08 -0.21 0.00 0.71 0.00 0.00 54.79 56.36 1njs n ASP 160 Cb 0.00 -1.30 0.02 0.00 -0.02 0.00 0.00 41.12 39.82 1njs n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1njs s THR 161 N -1.21 2.18 0.24 -3.53 -4.23 -1.26 -4.94 115.64 102.88 1njs s THR 161 Ca 0.61 -1.18 -0.06 0.00 -1.18 0.00 0.00 61.69 59.87 1njs s THR 161 Cb -0.62 -2.37 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1njs s THR 161 CO 0.58 0.00 1.86 0.58 -0.54 0.00 0.00 174.62 177.10 1njs h VAL 162 N 0.51 1.07 -0.25 2.29 2.07 -1.96 -1.66 116.25 118.33 1njs h VAL 162 Ca -0.35 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1njs h VAL 162 Cb 1.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1njs h VAL 162 CO 0.48 0.18 0.15 0.00 0.02 0.00 0.00 177.57 178.40 1njs h ALA 163 N 1.38 0.31 -0.24 1.67 0.00 -1.99 0.16 119.26 120.56 1njs h ALA 163 Ca 0.35 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1njs h ALA 163 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1njs h ALA 163 CO -0.15 -0.18 -0.26 1.79 0.00 0.00 0.00 179.25 180.45 1njs h THR 164 N 0.31 1.32 -0.51 0.00 1.35 -1.90 -2.32 112.91 111.15 1njs h THR 164 Ca 0.09 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1njs h THR 164 Cb 0.02 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 1njs h THR 164 CO -0.02 0.45 0.33 0.25 -0.25 0.00 0.00 175.52 176.28 1njs h LEU 165 N 0.31 0.60 -0.92 3.87 5.85 -1.27 -2.43 115.31 121.32 1njs h LEU 165 Ca 0.04 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1njs h LEU 165 Cb 0.82 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1njs h LEU 165 CO 0.06 0.45 0.18 0.77 -0.34 0.00 0.00 178.44 179.56 1njs h SER 166 N 0.69 0.91 -0.59 1.25 4.64 -0.63 -0.90 113.55 118.92 1njs h SER 166 Ca 0.19 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1njs h SER 166 Cb -0.06 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 1njs h SER 166 CO -0.04 0.87 0.21 -0.08 -0.87 0.00 0.00 176.83 176.91 1njs h GLU 167 N 0.94 0.91 -0.46 4.77 4.57 -1.34 0.19 114.58 124.15 1njs h GLU 167 Ca 0.21 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1njs h GLU 167 Cb 0.30 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1njs h GLU 167 CO -0.00 0.80 0.16 -0.09 -1.18 0.00 0.00 179.01 178.69 1njs h ARG 168 N 0.83 0.70 -0.62 1.92 2.43 -0.99 -2.41 114.38 116.25 1njs h ARG 168 Ca 0.19 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1njs h ARG 168 Cb 0.25 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1njs h ARG 168 CO -0.01 0.66 0.19 0.28 -1.51 0.00 0.00 179.97 179.58 1njs h VAL 169 N 0.61 1.24 -0.74 0.20 2.07 -1.09 -2.95 116.25 115.58 1njs h VAL 169 Ca 0.15 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1njs h VAL 169 Cb 0.24 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1njs h VAL 169 CO -0.01 0.31 0.48 0.50 0.02 0.00 0.00 177.57 178.88 1njs h LYS 170 N 0.92 0.93 -0.84 1.57 3.64 -0.69 0.10 116.57 122.20 1njs h LYS 170 Ca 0.20 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1njs h LYS 170 Cb 0.27 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1njs h LYS 170 CO -0.01 0.61 0.54 -0.07 -2.27 0.00 0.00 179.45 178.26 1njs h LEU 171 N 0.96 0.90 -0.77 5.20 3.38 -1.27 0.69 115.31 124.40 1njs h LEU 171 Ca 0.28 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1njs h LEU 171 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1njs h LEU 171 CO -0.09 0.63 0.37 0.00 0.09 0.00 0.00 178.44 179.44 1njs h ALA 172 N 1.34 1.00 -0.67 1.53 0.00 -1.29 -2.77 119.26 118.40 1njs h ALA 172 Ca 0.33 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1njs h ALA 172 Cb -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1njs h ALA 172 CO -0.11 0.56 0.44 0.93 0.00 0.00 0.00 179.25 181.08 1njs h GLU 173 N 1.09 0.70 0.00 0.00 5.08 0.32 -1.77 114.58 120.01 1njs h GLU 173 Ca 0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1njs h GLU 173 Cb 0.12 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1njs h GLU 173 CO -0.03 0.47 -0.05 0.45 -1.00 0.00 0.00 179.01 178.84 1njs h HIS 174 N 0.72 0.00 0.00 4.33 3.86 -0.61 -0.96 115.15 122.50 1njs h HIS 174 Ca 0.28 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 1njs h HIS 174 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1njs h HIS 174 CO -0.00 0.05 -0.08 0.87 0.86 0.00 0.00 177.93 179.63 1njs h LYS 175 N 0.00 0.00 0.00 2.45 1.57 -1.34 -3.40 116.57 115.85 1njs h LYS 175 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1njs h LYS 175 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1njs h LYS 175 CO 0.01 0.30 -0.44 -0.84 -0.57 0.00 0.00 179.45 177.91 1njs h ILE 176 N -1.00 0.84 0.31 1.86 3.07 -1.33 -2.90 117.51 118.37 1njs h ILE 176 Ca -0.01 -1.94 -0.02 0.00 1.55 0.00 0.00 64.86 64.44 1njs h ILE 176 Cb 0.35 2.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 1njs h ILE 176 CO -0.01 0.44 -0.15 0.15 -1.05 0.00 0.00 178.15 177.53 1njs h PHE 177 N 0.00 -0.39 -0.46 0.16 3.04 -1.40 -0.37 116.94 117.53 1njs h PHE 177 Ca -0.00 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1njs h PHE 177 Cb 1.20 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 39.82 1njs h PHE 177 CO 0.00 -0.10 0.09 -1.35 -2.02 0.00 0.00 178.31 174.92 1njs h PRO 178 N -0.65 0.69 -0.82 6.41 0.11 -1.77 -1.48 132.00 134.49 1njs h PRO 178 Ca -0.04 -0.14 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1njs h PRO 178 Cb 0.46 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.42 1njs h PRO 178 CO 0.07 0.65 0.54 0.00 -0.21 0.00 0.00 178.00 179.05 1njs h ALA 179 N 1.43 1.04 -0.30 -0.75 0.00 -1.38 -1.24 119.26 118.05 1njs h ALA 179 Ca 0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1njs h ALA 179 Cb 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1njs h ALA 179 CO 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 179.25 179.35 1njs h ALA 180 N 1.31 0.45 -0.22 0.00 0.00 -0.74 -1.89 119.26 118.17 1njs h ALA 180 Ca 0.30 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1njs h ALA 180 Cb -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1njs h ALA 180 CO -0.07 0.50 -0.06 1.25 0.00 0.00 0.00 179.25 180.86 1njs h LEU 181 N 0.52 -0.23 -0.97 0.00 5.85 -1.09 -1.33 115.31 118.06 1njs h LEU 181 Ca 0.05 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1njs h LEU 181 Cb 0.91 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1njs h LEU 181 CO 0.08 -0.08 0.64 1.56 -0.34 0.00 0.00 178.44 180.29 1njs h GLN 182 N -0.01 1.28 -0.47 1.25 1.08 -1.11 0.29 115.11 117.41 1njs h GLN 182 Ca 0.11 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1njs h GLN 182 Cb 0.18 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1njs h GLN 182 CO -0.23 0.85 0.24 -0.07 -0.95 0.00 0.00 178.83 178.67 1njs h LEU 183 N 1.32 0.60 -0.05 1.46 3.38 -0.92 -0.41 115.31 120.68 1njs h LEU 183 Ca 0.35 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 1njs h LEU 183 Cb -0.14 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.47 1njs h LEU 183 CO -0.08 0.54 -0.74 0.58 0.09 0.00 0.00 178.44 178.84 1njs h VAL 184 N 0.61 1.34 -0.63 1.22 2.07 -0.93 -0.64 116.25 119.30 1njs h VAL 184 Ca 0.16 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.59 1njs h VAL 184 Cb 0.09 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1njs h VAL 184 CO -0.02 0.62 0.24 0.00 0.02 0.00 0.00 177.57 178.43 1njs h ALA 185 N 0.41 1.23 0.00 1.67 0.00 -0.36 -2.42 119.26 119.80 1njs h ALA 185 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1njs h ALA 185 Cb 1.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1njs h ALA 185 CO 0.15 0.56 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 1njs n SER 186 N -4.30 0.57 0.00 0.00 3.41 -0.17 -4.62 113.62 108.50 1njs n SER 186 Ca 0.05 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1njs n SER 186 Cb 0.18 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1njs n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1njs n GLY 187 N 1.11 0.58 0.23 5.00 0.00 -0.91 -4.92 105.19 106.28 1njs n GLY 187 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1njs n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1njs h THR 188 N 0.00 1.29 -3.68 2.61 2.02 -1.42 -3.43 112.91 110.30 1njs h THR 188 Ca 0.00 -1.45 -0.62 0.00 0.77 0.00 0.00 66.41 65.10 1njs h THR 188 Cb 0.00 1.45 -0.32 0.00 -1.74 0.00 0.00 68.15 67.54 1njs h THR 188 CO 0.00 0.46 -0.86 -0.69 0.37 0.00 0.00 175.52 174.80 1njs s VAL 189 N -4.36 1.73 0.06 3.16 1.01 -0.52 -0.61 120.40 120.85 1njs s VAL 189 Ca -0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 1njs s VAL 189 Cb 0.13 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1njs s VAL 189 CO 0.81 0.49 -0.04 0.00 0.00 0.00 0.00 175.10 176.36 1njs s GLN 190 N 0.18 0.62 -0.31 2.72 -2.07 -0.08 -4.26 119.66 116.45 1njs s GLN 190 Ca -0.10 -1.16 -0.27 0.00 -1.82 0.00 0.00 55.36 52.02 1njs s GLN 190 Cb -0.15 0.10 0.01 0.00 -1.09 0.00 0.00 33.01 31.88 1njs s GLN 190 CO 0.05 -0.08 0.95 -1.17 -1.32 0.00 0.00 175.29 173.72 1njs s LEU 191 N -2.73 4.01 0.84 2.60 2.96 -1.26 -0.31 118.68 124.78 1njs s LEU 191 Ca 0.05 0.88 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 1njs s LEU 191 Cb 0.05 -3.34 0.10 0.00 0.50 0.00 0.00 46.19 43.49 1njs s LEU 191 CO -0.08 -0.77 1.10 -0.83 -1.32 0.00 0.00 176.35 174.46 1njs s GLY 192 N 1.63 1.61 0.34 7.98 0.00 0.19 -4.90 107.32 114.17 1njs s GLY 192 Ca 0.40 -0.23 0.05 0.00 0.00 0.00 0.00 44.72 44.94 1njs s GLY 192 CO 0.14 0.24 1.91 0.83 0.00 0.00 0.00 173.10 176.22 1njs h GLU 193 N -1.28 0.79 0.00 2.90 5.08 -1.96 0.09 114.58 120.20 1njs h GLU 193 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1njs h GLU 193 Cb 1.28 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1njs h GLU 193 CO 0.59 0.52 0.00 0.27 -1.00 0.00 0.00 179.01 179.39 1njs n ASN 194 N -4.51 0.00 -0.06 1.42 6.94 -1.26 -4.85 115.26 112.94 1njs n ASN 194 Ca 0.14 -1.47 -0.01 0.00 -0.02 0.00 0.00 54.58 53.22 1njs n ASN 194 Cb 0.30 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1njs n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1njs n GLY 195 N 0.35 0.39 3.82 4.83 0.00 0.02 -5.02 105.19 109.58 1njs n GLY 195 Ca 0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1njs n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1njs s LYS 196 N -0.93 3.10 0.20 1.61 -0.14 -1.25 -4.76 119.74 117.57 1njs s LYS 196 Ca 0.00 -0.55 -0.31 0.00 -1.36 0.00 0.00 55.97 53.75 1njs s LYS 196 Cb 0.00 -2.86 -0.10 0.00 -1.68 0.00 0.00 37.83 33.19 1njs s LYS 196 CO 0.00 0.61 1.51 -1.50 -0.76 0.00 0.00 175.35 175.20 1njs s ILE 197 N -1.36 2.65 -0.08 2.17 2.07 -1.26 0.53 121.20 125.92 1njs s ILE 197 Ca 0.29 0.50 0.02 0.00 -1.41 0.00 0.00 60.65 60.05 1njs s ILE 197 Cb -0.12 -3.32 0.01 0.00 0.13 0.00 0.00 42.46 39.16 1njs s ILE 197 CO 0.21 0.06 -0.13 0.00 -1.91 0.00 0.00 174.94 173.17 1njs s TRP 199 N 0.78 3.21 -2.32 0.00 0.52 -1.26 -0.91 118.94 118.96 1njs s TRP 199 Ca -0.12 0.02 0.29 0.00 0.02 0.00 0.00 56.10 56.32 1njs s TRP 199 Cb -0.16 -2.70 1.35 0.00 -1.15 0.00 0.00 33.47 30.81 1njs s TRP 199 CO 0.02 -0.44 1.92 1.33 0.02 0.00 0.00 176.95 179.80