#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 4.26 -0.08 0.00 0.52 -1.26 -1.59 118.95 120.80 1njs s ARG 2 Ca 0.00 0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.73 1njs s ARG 2 Cb 0.00 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1njs s ARG 2 CO 0.00 -0.04 -0.20 0.08 0.02 0.00 0.00 175.30 175.16 1njs s VAL 3 N 1.26 2.49 -0.08 3.52 1.01 0.17 0.02 120.40 128.79 1njs s VAL 3 Ca 0.26 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1njs s VAL 3 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1njs s VAL 3 CO 0.10 0.56 0.11 0.00 0.00 0.00 0.00 175.10 175.87 1njs s ALA 4 N -0.10 3.72 -0.14 5.51 0.00 -0.35 -0.60 121.76 129.79 1njs s ALA 4 Ca -0.04 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1njs s ALA 4 Cb -0.14 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 1njs s ALA 4 CO 0.04 0.64 -0.17 0.08 0.00 0.00 0.00 175.76 176.35 1njs s VAL 5 N -1.06 2.56 -0.13 0.00 1.01 -0.67 -0.62 120.40 121.49 1njs s VAL 5 Ca 0.18 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1njs s VAL 5 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1njs s VAL 5 CO 0.07 0.53 0.19 -0.76 0.00 0.00 0.00 175.10 175.13 1njs s LEU 6 N 0.66 4.35 0.14 3.92 1.43 -0.28 -0.93 118.68 127.97 1njs s LEU 6 Ca -0.09 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1njs s LEU 6 Cb -0.16 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1njs s LEU 6 CO 0.02 0.32 0.03 0.27 0.23 0.00 0.00 176.35 177.22 1njs s ILE 7 N -0.57 0.33 0.00 -0.59 -4.36 0.04 -1.11 121.20 114.94 1njs s ILE 7 Ca 0.15 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1njs s ILE 7 Cb -0.12 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1njs s ILE 7 CO 0.04 -0.50 0.30 -1.20 0.24 0.00 0.00 174.94 173.82 1njs n SER 8 N -0.14 0.34 0.00 4.36 7.64 -0.98 -3.13 113.62 121.71 1njs n SER 8 Ca -0.06 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1njs n SER 8 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.04 3.42 0.32 0.23 0.00 -1.26 -4.80 105.19 103.05 1njs n GLY 9 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1njs n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1njs h THR 10 N 0.00 1.24 0.00 2.61 2.02 -1.93 -1.22 112.91 115.62 1njs h THR 10 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1njs h THR 10 Cb 0.00 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1njs h THR 10 CO 0.00 0.26 0.00 0.61 0.37 0.00 0.00 175.52 176.76 1njs n GLY 11 N -1.13 0.64 0.33 2.16 0.00 -1.26 -1.62 105.19 104.31 1njs n GLY 11 Ca 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 1njs n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1njs h SER 12 N 0.00 0.96 -0.20 1.61 4.64 -1.93 0.02 113.55 118.65 1njs h SER 12 Ca 0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1njs h SER 12 Cb 0.23 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1njs h SER 12 CO 0.00 0.87 0.09 0.78 -0.87 0.00 0.00 176.83 177.69 1njs h ASN 13 N 1.01 0.27 -0.69 4.97 2.35 -1.93 -2.40 115.58 119.17 1njs h ASN 13 Ca 0.23 -0.15 0.15 0.00 -0.55 0.00 0.00 56.30 55.98 1njs h ASN 13 Cb 0.22 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 38.40 1njs h ASN 13 CO -0.02 0.35 -0.00 0.25 -1.65 0.00 0.00 177.43 176.35 1njs h LEU 14 N 0.18 -0.33 -0.55 1.61 6.46 -1.76 -1.51 115.31 119.40 1njs h LEU 14 Ca 0.07 0.18 0.03 0.00 -0.12 0.00 0.00 57.88 58.03 1njs h LEU 14 Cb 0.15 0.31 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 1njs h LEU 14 CO -0.01 -0.15 0.34 -0.61 -0.62 0.00 0.00 178.44 177.39 1njs h GLN 15 N 0.11 0.64 -0.52 1.25 5.75 -0.70 0.11 115.11 121.75 1njs h GLN 15 Ca 0.37 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.75 1njs h GLN 15 Cb 0.62 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 1njs h GLN 15 CO -0.60 0.43 0.01 0.00 -2.65 0.00 0.00 178.83 176.01 1njs h ALA 16 N 1.24 1.04 -0.45 3.38 0.00 -0.91 -1.30 119.26 122.26 1njs h ALA 16 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1njs h ALA 16 Cb 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1njs h ALA 16 CO -0.10 0.60 0.13 -0.07 0.00 0.00 0.00 179.25 179.81 1njs h LEU 17 N 0.81 0.66 -0.05 0.00 3.38 -0.69 -1.64 115.31 117.77 1njs h LEU 17 Ca 0.16 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1njs h LEU 17 Cb 0.47 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1njs h LEU 17 CO 0.02 0.70 -0.14 0.40 0.09 0.00 0.00 178.44 179.51 1njs h ILE 18 N 0.58 0.63 -0.07 1.22 2.04 -0.44 -1.19 117.51 120.29 1njs h ILE 18 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1njs h ILE 18 Cb 0.28 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1njs h ILE 18 CO -0.00 0.00 -0.07 0.44 0.00 0.00 0.00 178.15 178.52 1njs h ASP 19 N -0.21 -0.22 -0.58 1.72 3.32 -1.19 -2.98 116.42 116.28 1njs h ASP 19 Ca 0.07 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1njs h ASP 19 Cb 0.30 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1njs h ASP 19 CO -0.18 -0.10 0.14 0.77 -1.72 0.00 0.00 179.24 178.16 1njs h SER 20 N -0.09 0.91 0.52 6.45 4.64 -1.19 -2.52 113.55 122.27 1njs h SER 20 Ca 0.05 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1njs h SER 20 Cb 0.16 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1njs h SER 20 CO -0.13 0.88 0.00 0.35 -0.87 0.00 0.00 176.83 177.06 1njs n THR 21 N -4.25 1.00 0.48 2.95 -2.24 -0.46 -2.21 114.28 109.54 1njs n THR 21 Ca 0.05 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 1njs n THR 21 Cb 0.24 -1.04 0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1njs n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1njs n ARG 22 N -1.62 1.86 -1.64 -0.78 1.74 -0.96 -4.71 116.66 110.55 1njs n ARG 22 Ca 0.03 -1.80 -0.31 0.00 -0.77 0.00 0.00 57.85 55.00 1njs n ARG 22 Cb 0.17 -1.37 0.04 0.00 -1.02 0.00 0.00 32.46 30.28 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 -1.37 3.03 0.51 5.56 0.41 -0.94 -5.00 118.70 120.90 1njs s GLU 23 Ca 0.26 0.96 -0.21 0.00 -0.41 0.00 0.00 54.97 55.57 1njs s GLU 23 Cb 0.16 -2.00 -0.06 0.00 -1.78 0.00 0.00 34.13 30.45 1njs s GLU 23 CO 0.23 -1.03 1.16 -1.25 -0.49 0.00 0.00 175.26 173.89 1njs s PRO 24 N -4.96 3.49 -0.05 0.39 0.04 -1.26 -3.05 135.00 129.59 1njs s PRO 24 Ca 0.58 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1njs s PRO 24 Cb -0.14 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1njs s PRO 24 CO 0.53 -0.77 0.00 0.09 0.04 0.00 0.00 177.00 176.89 1njs n ASN 25 N -0.96 -4.01 -4.78 6.66 3.02 -1.26 -5.00 115.26 108.92 1njs n ASN 25 Ca 0.10 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 1njs n ASN 25 Cb 0.49 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 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 -2.06 6.30 0.00 6.41 0.15 -1.17 -4.91 113.70 118.42 1njs s SER 26 Ca 0.00 3.01 0.24 0.00 0.70 0.00 0.00 55.95 59.90 1njs s SER 26 Cb 0.00 -2.67 0.42 0.00 -1.71 0.00 0.00 66.02 62.06 1njs s SER 26 CO 0.00 -0.90 1.39 -1.20 1.20 0.00 0.00 173.24 173.73 1njs n SER 27 N 0.37 2.84 -4.17 5.45 7.64 -1.26 -4.94 113.62 119.55 1njs n SER 27 Ca 0.02 -1.91 -0.19 0.00 1.01 0.00 0.00 58.87 57.79 1njs n SER 27 Cb 0.40 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.84 1.22 -0.03 -0.43 0.00 -1.26 0.11 121.76 119.54 1njs s ALA 28 Ca 0.33 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1njs s ALA 28 Cb 0.21 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1njs s ALA 28 CO 0.31 0.20 -0.13 1.14 0.00 0.00 0.00 175.76 177.28 1njs s GLN 29 N -1.53 1.22 -0.35 0.00 -2.07 -0.62 -4.73 119.66 111.58 1njs s GLN 29 Ca -0.00 -0.44 -0.26 0.00 -1.82 0.00 0.00 55.36 52.84 1njs s GLN 29 Cb -0.09 -1.12 0.01 0.00 -1.09 0.00 0.00 33.01 30.72 1njs s GLN 29 CO 0.02 0.20 0.94 0.42 -1.32 0.00 0.00 175.29 175.55 1njs s ILE 30 N -0.01 4.60 -0.03 3.63 1.01 -1.26 -0.66 121.20 128.48 1njs s ILE 30 Ca -0.01 1.32 0.16 0.00 0.00 0.00 0.00 60.65 62.13 1njs s ILE 30 Cb -0.08 -4.33 -0.25 0.00 0.01 0.00 0.00 42.46 37.81 1njs s ILE 30 CO 0.01 -0.48 0.34 0.47 0.00 0.00 0.00 174.94 175.28 1njs n ASP 31 N 6.71 1.28 -3.69 3.58 8.00 0.23 -4.93 116.55 127.73 1njs n ASP 31 Ca 0.08 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 1njs n ASP 31 Cb 0.48 1.70 -0.09 0.00 -0.02 0.00 0.00 41.12 43.19 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 -3.09 0.01 -0.10 0.53 1.10 -1.22 -4.24 121.20 114.20 1njs s ILE 32 Ca -0.06 -0.10 0.03 0.00 -0.51 0.00 0.00 60.65 60.00 1njs s ILE 32 Cb 0.10 -0.71 0.01 0.00 0.15 0.00 0.00 42.46 42.01 1njs s ILE 32 CO 0.67 -0.06 -0.18 -0.69 -2.11 0.00 0.00 174.94 172.58 1njs s VAL 33 N -0.29 1.62 -0.13 4.00 1.01 -0.67 -1.67 120.40 124.28 1njs s VAL 33 Ca -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1njs s VAL 33 Cb -0.03 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.90 1njs s VAL 33 CO 0.03 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 1njs s ILE 34 N 0.71 2.23 -0.02 2.22 1.01 -0.11 -1.27 121.20 125.97 1njs s ILE 34 Ca -0.12 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.63 1njs s ILE 34 Cb -0.16 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1njs s ILE 34 CO 0.03 0.55 -0.13 -0.55 0.00 0.00 0.00 174.94 174.83 1njs s SER 35 N 0.59 4.13 0.00 3.58 0.15 -0.08 -0.78 113.70 121.29 1njs s SER 35 Ca -0.12 -0.22 0.30 0.00 0.70 0.00 0.00 55.95 56.61 1njs s SER 35 Cb -0.17 -0.86 1.50 0.00 -1.71 0.00 0.00 66.02 64.79 1njs s SER 35 CO 0.03 0.32 2.00 -0.46 1.20 0.00 0.00 173.24 176.33 1njs n ASN 36 N 2.00 0.60 -3.90 5.45 6.94 -1.19 -0.54 115.26 124.62 1njs n ASN 36 Ca -0.17 -1.11 -0.19 0.00 -0.02 0.00 0.00 54.58 53.10 1njs n ASN 36 Cb 0.52 -0.01 -0.16 0.00 -2.36 0.00 0.00 39.78 37.77 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 -2.07 0.73 0.67 -3.83 1.02 -1.26 -3.73 119.74 111.26 1njs s LYS 37 Ca 0.41 -0.11 -0.13 0.00 0.02 0.00 0.00 55.97 56.16 1njs s LYS 37 Cb 0.21 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.78 1njs s LYS 37 CO 0.37 -0.05 1.08 0.00 -0.92 0.00 0.00 175.35 175.83 1njs s ALA 38 N 0.73 2.57 -1.58 5.17 0.00 -1.26 -4.23 121.76 123.17 1njs s ALA 38 Ca -0.10 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1njs s ALA 38 Cb -0.13 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1njs s ALA 38 CO 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 175.76 174.55 1njs n ALA 39 N -2.71 -0.48 -2.73 0.00 0.00 -1.26 -5.00 120.51 108.34 1njs n ALA 39 Ca 0.09 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.38 1njs n ALA 39 Cb 0.53 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.84 5.22 0.47 0.00 -7.23 -1.26 -5.00 120.40 109.75 1njs s VAL 40 Ca 0.00 -0.04 0.17 0.00 -1.81 0.00 0.00 61.98 60.29 1njs s VAL 40 Cb 0.00 -3.62 0.22 0.00 0.56 0.00 0.00 36.38 33.53 1njs s VAL 40 CO 0.00 0.08 2.04 0.00 -0.31 0.00 0.00 175.10 176.91 1njs h ALA 41 N 2.95 1.71 -0.19 1.32 0.00 -1.76 -2.14 119.26 121.14 1njs h ALA 41 Ca -0.46 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.35 1njs h ALA 41 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1njs h ALA 41 CO 0.73 0.17 0.13 0.78 0.00 0.00 0.00 179.25 181.06 1njs h GLY 42 N 0.45 0.19 1.11 0.00 0.00 -0.23 -0.43 103.07 104.15 1njs h GLY 42 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1njs h GLY 42 CO 0.02 0.06 -0.11 1.41 0.00 0.00 0.00 176.54 177.92 1njs h LEU 43 N 0.17 1.04 -0.51 3.11 3.38 -1.63 -2.18 115.31 118.70 1njs h LEU 43 Ca 0.08 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1njs h LEU 43 Cb 0.11 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1njs h LEU 43 CO -0.01 1.15 0.15 0.44 0.09 0.00 0.00 178.44 180.25 1njs h ASP 44 N 0.92 0.75 -0.48 -0.43 3.32 -1.22 -1.96 116.42 117.33 1njs h ASP 44 Ca 0.14 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1njs h ASP 44 Cb 0.68 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1njs h ASP 44 CO 0.05 0.77 0.24 0.11 -1.72 0.00 0.00 179.24 178.68 1njs h LYS 45 N 0.70 0.45 -0.30 3.56 1.57 -1.13 0.58 116.57 122.01 1njs h LYS 45 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1njs h LYS 45 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1njs h LYS 45 CO -0.00 0.30 0.19 0.00 -0.57 0.00 0.00 179.45 179.37 1njs h ALA 46 N 1.26 0.38 -0.50 3.86 0.00 -1.28 -2.13 119.26 120.84 1njs h ALA 46 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1njs h ALA 46 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1njs h ALA 46 CO -0.15 -0.14 -0.06 0.93 0.00 0.00 0.00 179.25 179.82 1njs h GLU 47 N 0.39 0.89 0.00 0.00 5.08 -1.04 -0.92 114.58 118.98 1njs h GLU 47 Ca 0.11 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1njs h GLU 47 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1njs h GLU 47 CO -0.02 0.92 -0.18 0.00 -1.00 0.00 0.00 179.01 178.74 1njs h ARG 48 N 0.81 0.00 -0.04 2.33 3.08 -0.75 -1.95 114.38 117.86 1njs h ARG 48 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1njs h ARG 48 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1njs h ARG 48 CO 0.03 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 1njs n ALA 49 N -2.31 2.59 -2.08 0.04 0.00 -0.81 -4.94 120.51 113.00 1njs n ALA 49 Ca -0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 1njs n ALA 49 Cb 0.29 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 1.11 0.12 3.51 0.00 0.00 -0.73 -5.04 105.19 104.15 1njs n GLY 50 Ca 0.19 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.37 3.88 0.67 -0.61 1.01 -0.41 -5.02 121.20 118.35 1njs s ILE 51 Ca 0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 1njs s ILE 51 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.78 1njs s ILE 51 CO 0.00 0.51 1.24 -2.84 0.00 0.00 0.00 174.94 173.85 1njs s PRO 52 N 0.23 2.48 0.11 2.79 0.02 -1.26 -3.80 135.00 135.57 1njs s PRO 52 Ca -0.03 1.90 0.04 0.00 0.02 0.00 0.00 61.00 62.94 1njs s PRO 52 Cb -0.14 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1njs s PRO 52 CO 0.03 -1.61 -0.11 0.95 -0.33 0.00 0.00 177.00 175.93 1njs s THR 53 N -1.65 1.07 0.05 0.99 -4.23 -1.26 -1.67 115.64 108.93 1njs s THR 53 Ca 0.78 -1.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1njs s THR 53 Cb -0.33 -1.46 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 1njs s THR 53 CO 0.40 -0.54 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.71 1njs s ARG 54 N -2.87 0.62 -0.23 3.99 1.81 -0.40 -4.95 118.95 116.93 1njs s ARG 54 Ca 0.08 -0.76 -0.06 0.00 -1.72 0.00 0.00 55.73 53.27 1njs s ARG 54 Cb -0.03 -0.48 -0.02 0.00 -0.45 0.00 0.00 34.95 33.97 1njs s ARG 54 CO 0.01 0.10 0.02 0.08 -0.68 0.00 0.00 175.30 174.83 1njs s VAL 55 N -1.22 3.94 -0.38 3.52 1.01 -1.26 -0.91 120.40 125.11 1njs s VAL 55 Ca -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1njs s VAL 55 Cb -0.09 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.57 1njs s VAL 55 CO 0.01 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 174.98 1njs s ILE 56 N 1.51 2.61 -0.41 2.22 1.01 0.30 -4.98 121.20 123.45 1njs s ILE 56 Ca 0.06 -2.38 -0.29 0.00 0.00 0.00 0.00 60.65 58.04 1njs s ILE 56 Cb -0.15 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1njs s ILE 56 CO 0.01 -0.65 1.42 0.21 0.00 0.00 0.00 174.94 175.93 1njs s ASN 57 N 1.02 6.32 0.55 3.58 3.84 -1.26 -4.05 114.94 124.94 1njs s ASN 57 Ca 0.11 0.82 0.24 0.00 0.21 0.00 0.00 52.86 54.25 1njs s ASN 57 Cb -0.21 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.42 1njs s ASN 57 CO -0.06 -1.45 2.08 1.12 -2.79 0.00 0.00 177.10 176.00 1njs h HIS 58 N 10.77 0.00 0.00 0.43 2.07 -1.94 -1.99 115.15 124.49 1njs h HIS 58 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 1njs h HIS 58 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1njs h HIS 58 CO 0.97 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 176.70 1njs h LYS 59 N 0.00 0.00 -0.15 5.12 1.57 -1.90 -2.87 116.57 118.34 1njs h LYS 59 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1njs h LYS 59 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 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 -2.45 1.62 -4.54 2.94 4.77 -0.75 -4.88 117.00 113.71 1njs n LEU 60 Ca 0.01 -0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 55.01 1njs n LEU 60 Cb 0.21 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 1njs n LEU 60 CO 0.20 0.33 -0.43 -0.31 -1.33 0.00 0.00 177.39 175.85 1njs s TYR 61 N -1.81 2.75 0.23 -1.77 1.51 -1.08 -5.03 117.35 112.15 1njs s TYR 61 Ca 0.33 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1njs s TYR 61 Cb 0.18 -1.55 0.23 0.00 -0.11 0.00 0.00 41.96 40.71 1njs s TYR 61 CO 0.27 0.32 1.74 0.87 -1.11 0.00 0.00 175.55 177.64 1njs h LYS 62 N 4.54 0.97 -3.96 -0.62 1.57 -1.89 -3.47 116.57 113.70 1njs h LYS 62 Ca -0.48 -0.24 -0.19 0.00 -1.87 0.00 0.00 60.65 57.87 1njs h LYS 62 Cb 1.16 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.26 1njs h LYS 62 CO 0.51 0.90 -0.19 0.54 -0.57 0.00 0.00 179.45 180.64 1njs s ASN 63 N -6.55 0.47 0.24 0.86 2.20 -1.26 -5.07 114.94 105.82 1njs s ASN 63 Ca -0.11 -1.28 -0.00 0.00 -0.94 0.00 0.00 52.86 50.53 1njs s ASN 63 Cb 0.15 0.62 0.28 0.00 -2.00 0.00 0.00 41.25 40.29 1njs s ASN 63 CO 0.83 -1.22 1.63 0.03 -2.94 0.00 0.00 177.10 175.43 1njs h ARG 64 N 2.20 0.53 -0.22 3.55 3.08 -1.96 -2.70 114.38 118.86 1njs h ARG 64 Ca -0.28 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.52 1njs h ARG 64 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1njs h ARG 64 CO 0.39 0.81 0.13 0.28 -1.07 0.00 0.00 179.97 180.52 1njs h VAL 65 N 0.45 1.03 -0.60 2.04 2.07 -1.98 0.14 116.25 119.41 1njs h VAL 65 Ca 0.05 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 1njs h VAL 65 Cb 0.83 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1njs h VAL 65 CO 0.07 0.05 0.17 -0.33 0.02 0.00 0.00 177.57 177.55 1njs h GLU 66 N 0.28 0.95 0.17 1.57 5.08 -1.97 0.15 114.58 120.81 1njs h GLU 66 Ca 0.08 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1njs h GLU 66 Cb -0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1njs h GLU 66 CO -0.03 0.86 -0.11 0.35 -1.00 0.00 0.00 179.01 179.08 1njs h PHE 67 N 0.87 -0.27 -0.66 4.33 3.57 -1.31 -2.26 116.94 121.20 1njs h PHE 67 Ca 0.19 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.75 1njs h PHE 67 Cb 0.32 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1njs h PHE 67 CO 0.02 -0.17 0.44 -0.44 -2.23 0.00 0.00 178.31 175.93 1njs h ASP 68 N -0.27 0.61 -0.69 0.41 3.32 -0.50 -1.83 116.42 117.47 1njs h ASP 68 Ca -0.02 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1njs h ASP 68 Cb 0.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1njs h ASP 68 CO 0.01 0.40 0.14 0.28 -1.72 0.00 0.00 179.24 178.35 1njs h SER 69 N 0.69 1.06 -0.67 6.45 0.02 -0.50 0.14 113.55 120.74 1njs h SER 69 Ca 0.28 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1njs h SER 69 Cb 0.23 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1njs h SER 69 CO -0.09 1.04 0.38 0.00 -1.14 0.00 0.00 176.83 177.02 1njs h ALA 70 N 1.07 0.86 0.13 3.77 0.00 -0.77 0.12 119.26 124.43 1njs h ALA 70 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1njs h ALA 70 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1njs h ALA 70 CO 0.01 0.37 -0.13 0.82 0.00 0.00 0.00 179.25 180.32 1njs h ILE 71 N 0.92 0.71 -0.76 0.00 2.04 -1.10 -2.98 117.51 116.34 1njs h ILE 71 Ca 0.24 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.17 1njs h ILE 71 Cb 0.02 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1njs h ILE 71 CO -0.04 0.00 0.50 -0.78 0.00 0.00 0.00 178.15 177.83 1njs h ASP 72 N -0.29 0.70 -0.10 1.72 3.58 -0.10 -1.21 116.42 120.73 1njs h ASP 72 Ca 0.00 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.49 1njs h ASP 72 Cb 0.27 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1njs h ASP 72 CO -0.04 0.45 -0.10 0.25 -2.88 0.00 0.00 179.24 176.92 1njs h LEU 73 N 0.80 -0.31 -0.54 2.28 6.46 -0.66 -0.22 115.31 123.11 1njs h LEU 73 Ca 0.33 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1njs h LEU 73 Cb 0.28 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1njs h LEU 73 CO -0.12 -0.13 0.34 0.58 -0.62 0.00 0.00 178.44 178.49 1njs h VAL 74 N -0.12 1.16 -0.42 1.05 2.07 -1.14 -0.26 116.25 118.58 1njs h VAL 74 Ca 0.07 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1njs h VAL 74 Cb 0.23 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1njs h VAL 74 CO -0.17 0.16 0.28 -0.07 0.02 0.00 0.00 177.57 177.78 1njs h LEU 75 N 0.73 0.43 -0.10 2.57 -0.00 -0.89 -1.06 115.31 116.99 1njs h LEU 75 Ca 0.20 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.99 1njs h LEU 75 Cb -0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 1njs h LEU 75 CO -0.04 0.31 -0.22 -0.33 -0.00 0.00 0.00 178.44 178.16 1njs h GLU 76 N 0.51 0.33 -0.95 1.13 4.39 -0.61 -1.21 114.58 118.16 1njs h GLU 76 Ca 0.16 -0.22 0.26 0.00 0.34 0.00 0.00 59.36 59.91 1njs h GLU 76 Cb 0.03 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 1njs h GLU 76 CO -0.04 0.81 0.66 0.93 -1.16 0.00 0.00 179.01 180.22 1njs h GLU 77 N -0.11 0.13 -0.57 2.33 5.08 -0.30 -0.56 114.58 120.58 1njs h GLU 77 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1njs h GLU 77 Cb 0.81 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1njs h GLU 77 CO 0.05 0.09 0.00 1.19 -1.00 0.00 0.00 179.01 179.33 1njs n PHE 78 N -4.35 0.80 -3.79 4.33 3.01 -0.47 -4.98 117.46 112.00 1njs n PHE 78 Ca 0.20 -0.51 -0.25 0.00 1.01 0.00 0.00 57.45 57.90 1njs n PHE 78 Cb 0.93 -0.03 0.03 0.00 -0.01 0.00 0.00 39.48 40.40 1njs n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1njs n SER 79 N 1.13 -2.77 -4.73 4.37 2.88 -0.22 -4.89 113.62 109.39 1njs n SER 79 Ca 0.19 -0.80 -0.41 0.00 -1.33 0.00 0.00 58.87 56.52 1njs n SER 79 Cb 0.56 -3.99 -0.04 0.00 -0.75 0.00 0.00 64.21 60.00 1njs n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1njs s ILE 80 N -3.52 4.22 -0.18 2.46 -1.09 -0.50 -4.75 121.20 117.85 1njs s ILE 80 Ca 0.29 1.81 -0.02 0.00 -2.23 0.00 0.00 60.65 60.50 1njs s ILE 80 Cb -0.14 -4.16 -0.22 0.00 -1.58 0.00 0.00 42.46 36.36 1njs s ILE 80 CO 0.82 0.26 0.12 0.47 -1.23 0.00 0.00 174.94 175.38 1njs n ASP 81 N 2.87 1.96 -3.91 3.58 8.00 0.10 -4.95 116.55 124.20 1njs n ASP 81 Ca 0.04 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1njs n ASP 81 Cb 0.48 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.54 0.22 -0.13 0.53 1.01 -0.84 -4.85 121.20 114.60 1njs s ILE 82 Ca -0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1njs s ILE 82 Cb 0.08 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 1njs s ILE 82 CO 0.70 0.07 -0.10 -0.69 0.00 0.00 0.00 174.94 174.93 1njs s VAL 83 N 0.04 3.38 -0.16 2.92 1.01 0.09 -1.21 120.40 126.46 1njs s VAL 83 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1njs s VAL 83 Cb -0.02 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1njs s VAL 83 CO -0.00 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.53 1njs s LEU 85 N 0.60 4.22 -0.50 0.00 1.43 0.12 -1.12 118.68 123.43 1njs s LEU 85 Ca -0.05 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1njs s LEU 85 Cb -0.15 -2.54 0.15 0.00 0.03 0.00 0.00 46.19 43.67 1njs s LEU 85 CO 0.03 -0.36 0.31 0.00 0.23 0.00 0.00 176.35 176.56 1njs s ALA 86 N 2.27 2.54 -0.93 4.21 0.00 -0.27 -2.82 121.76 126.76 1njs s ALA 86 Ca 0.18 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.22 1njs s ALA 86 Cb -0.16 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1njs s ALA 86 CO 0.11 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1njs n GLY 87 N 3.08 0.84 3.71 0.00 0.00 -1.26 -4.40 105.19 107.16 1njs n GLY 87 Ca 0.13 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.37 3.43 -0.64 1.61 5.36 -1.26 -2.31 117.98 121.80 1njs s PHE 88 Ca 0.00 1.36 0.13 0.00 -0.96 0.00 0.00 56.93 57.46 1njs s PHE 88 Cb 0.00 -3.36 0.39 0.00 -0.34 0.00 0.00 43.02 39.71 1njs s PHE 88 CO 0.00 -1.02 1.32 -1.33 -1.46 0.00 0.00 175.22 172.73 1njs n MET 89 N 4.20 2.91 -4.09 10.12 2.81 -1.26 -4.92 117.12 126.89 1njs n MET 89 Ca 0.09 -2.35 -0.35 0.00 -1.81 0.00 0.00 57.70 53.28 1njs n MET 89 Cb 0.47 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.38 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 -1.69 3.75 0.10 0.03 1.81 -1.26 -5.07 118.95 116.60 1njs s ARG 90 Ca 0.30 -0.46 -0.31 0.00 -1.72 0.00 0.00 55.73 53.54 1njs s ARG 90 Cb 0.20 -3.12 -0.08 0.00 -0.45 0.00 0.00 34.95 31.51 1njs s ARG 90 CO 0.13 0.12 1.46 0.42 -0.68 0.00 0.00 175.30 176.75 1njs s ILE 91 N 0.74 3.21 0.20 1.52 -1.09 -1.26 -5.01 121.20 119.52 1njs s ILE 91 Ca 0.01 0.81 -0.12 0.00 -2.23 0.00 0.00 60.65 59.12 1njs s ILE 91 Cb -0.14 -3.52 -0.07 0.00 -1.58 0.00 0.00 42.46 37.15 1njs s ILE 91 CO 0.02 0.04 0.56 -0.76 -1.23 0.00 0.00 174.94 173.57 1njs s LEU 92 N 1.57 4.23 0.62 2.97 1.43 -1.26 -5.04 118.68 123.20 1njs s LEU 92 Ca 0.67 1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 54.62 1njs s LEU 92 Cb -0.38 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 1njs s LEU 92 CO 0.30 -0.01 1.10 -0.94 0.23 0.00 0.00 176.35 177.03 1njs s SER 93 N -2.08 5.42 0.20 2.29 1.04 -1.26 -4.84 113.70 114.46 1njs s SER 93 Ca 0.44 1.98 -0.22 0.00 0.48 0.00 0.00 55.95 58.63 1njs s SER 93 Cb -0.13 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.57 1njs s SER 93 CO 0.20 -1.42 1.56 1.23 0.98 0.00 0.00 173.24 175.79 1njs h GLY 94 N 0.37 -0.21 1.24 7.32 0.00 -1.97 -1.90 103.07 107.92 1njs h GLY 94 Ca -0.47 0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1njs h GLY 94 CO 0.56 -0.16 0.23 -2.55 0.00 0.00 0.00 176.54 174.61 1njs h PRO 95 N -0.08 0.97 -0.01 4.80 0.11 -1.98 0.14 132.00 135.93 1njs h PRO 95 Ca 0.26 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1njs h PRO 95 Cb 0.56 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 1njs h PRO 95 CO -0.86 0.81 0.01 0.35 -0.21 0.00 0.00 178.00 178.10 1njs h PHE 96 N 0.94 0.02 -0.75 0.65 3.04 -1.83 -1.08 116.94 117.93 1njs h PHE 96 Ca 0.21 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1njs h PHE 96 Cb 0.23 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.70 1njs h PHE 96 CO 0.02 0.12 0.45 0.28 -2.02 0.00 0.00 178.31 177.16 1njs h VAL 97 N -0.09 1.22 -0.48 1.41 2.07 -0.98 -1.33 116.25 118.07 1njs h VAL 97 Ca 0.00 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1njs h VAL 97 Cb 0.11 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1njs h VAL 97 CO -0.00 0.23 0.27 1.56 0.02 0.00 0.00 177.57 179.65 1njs h GLN 98 N 1.03 0.66 -0.38 1.57 4.20 -0.67 -1.14 115.11 120.38 1njs h GLN 98 Ca 0.27 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1njs h GLN 98 Cb -0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1njs h GLN 98 CO -0.05 0.50 0.24 -0.22 -0.67 0.00 0.00 178.83 178.63 1njs h LYS 99 N 0.63 0.47 -0.32 1.46 3.64 -0.63 -2.68 116.57 119.15 1njs h LYS 99 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1njs h LYS 99 Cb 0.03 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1njs h LYS 99 CO -0.03 0.31 0.00 0.91 -2.27 0.00 0.00 179.45 178.37 1njs n TRP 100 N -4.85 0.40 -1.67 1.91 7.02 -0.55 -4.96 117.44 114.75 1njs n TRP 100 Ca 0.00 -0.19 -0.48 0.00 -1.02 0.00 0.00 57.50 55.81 1njs n TRP 100 Cb 0.04 -0.02 -0.05 0.00 -2.42 0.00 0.00 31.31 28.87 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 0.31 2.99 0.00 -0.99 4.05 -0.45 -0.75 115.26 120.42 1njs n ASN 101 Ca 0.09 1.06 0.00 0.00 0.45 0.00 0.00 54.58 56.18 1njs n ASN 101 Cb 0.26 -1.37 0.00 0.00 1.23 0.00 0.00 39.78 39.90 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 3.61 1.36 0.00 8.20 0.00 -1.26 -4.82 105.19 112.28 1njs n GLY 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.81 -4.52 1.61 4.76 0.07 -4.65 118.16 114.24 1njs n LYS 103 Ca 0.00 -0.75 -0.27 0.00 -2.87 0.00 0.00 58.31 54.42 1njs n LYS 103 Cb 0.00 -0.78 -0.17 0.00 -1.84 0.00 0.00 35.03 32.25 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 -0.34 1.93 0.16 1.97 1.75 -1.05 -0.74 119.30 122.99 1njs s MET 104 Ca 0.00 -0.47 0.10 0.00 -1.25 0.00 0.00 55.69 54.07 1njs s MET 104 Cb 0.00 -1.63 -0.04 0.00 2.84 0.00 0.00 34.83 36.00 1njs s MET 104 CO 0.00 -0.02 -0.21 -0.51 -0.65 0.00 0.00 175.02 173.63 1njs s LEU 105 N 0.85 2.55 0.04 4.11 1.43 0.23 -1.01 118.68 126.89 1njs s LEU 105 Ca -0.10 -0.73 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1njs s LEU 105 Cb -0.15 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 1njs s LEU 105 CO 0.01 0.14 -0.10 0.21 0.23 0.00 0.00 176.35 176.84 1njs s ASN 106 N -2.45 1.16 -0.19 2.29 2.47 -0.46 0.15 114.94 117.91 1njs s ASN 106 Ca 0.19 -0.51 -0.07 0.00 0.42 0.00 0.00 52.86 52.90 1njs s ASN 106 Cb -0.09 -0.02 -0.04 0.00 -1.45 0.00 0.00 41.25 39.66 1njs s ASN 106 CO 0.10 -0.11 0.05 -0.51 -3.72 0.00 0.00 177.10 172.91 1njs s ILE 107 N -1.15 4.53 -0.08 -5.21 1.10 -1.13 -1.99 121.20 117.27 1njs s ILE 107 Ca -0.05 -0.12 0.02 0.00 -0.51 0.00 0.00 60.65 59.99 1njs s ILE 107 Cb -0.09 -3.05 0.01 0.00 0.15 0.00 0.00 42.46 39.48 1njs s ILE 107 CO 0.01 0.44 -0.15 -2.28 -2.11 0.00 0.00 174.94 170.85 1njs s HIS 108 N 0.66 1.78 -0.15 3.50 5.65 0.60 -4.74 115.29 122.59 1njs s HIS 108 Ca 0.02 -0.72 -0.06 0.00 0.25 0.00 0.00 55.06 54.55 1njs s HIS 108 Cb -0.13 -1.27 -0.22 0.00 -1.18 0.00 0.00 32.58 29.78 1njs s HIS 108 CO 0.02 -0.35 3.48 -0.35 -0.65 0.00 0.00 174.74 176.88 1njs n PRO 109 N 3.87 2.16 -3.98 2.88 -0.04 -1.26 -0.65 135.00 137.98 1njs n PRO 109 Ca -0.21 -1.25 -0.09 0.00 -0.04 0.00 0.00 63.50 61.91 1njs n PRO 109 Cb 0.52 -2.06 -0.05 0.00 -0.04 0.00 0.00 33.50 31.86 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 1.79 -0.09 -0.98 3.54 1.04 -0.61 -4.58 113.70 113.81 1njs s SER 110 Ca 0.66 -0.89 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 1njs s SER 110 Cb 0.32 0.57 0.07 0.00 0.10 0.00 0.00 66.02 67.07 1njs s SER 110 CO -0.03 -1.10 1.36 -0.76 0.98 0.00 0.00 173.24 173.68 1njs s LEU 111 N -3.00 3.85 0.45 2.42 1.43 -1.25 -2.71 118.68 119.86 1njs s LEU 111 Ca 0.21 -1.53 -0.24 0.00 -1.03 0.00 0.00 54.13 51.55 1njs s LEU 111 Cb -0.00 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 1njs s LEU 111 CO 0.07 -1.42 1.11 0.18 0.23 0.00 0.00 176.35 176.51 1njs n LEU 112 N 8.36 3.33 -0.17 1.79 4.77 -1.26 -1.82 117.00 132.00 1njs n LEU 112 Ca 0.29 1.03 0.14 0.00 -0.03 0.00 0.00 56.01 57.44 1njs n LEU 112 Cb 0.50 -1.42 0.76 0.00 -2.33 0.00 0.00 43.42 40.93 1njs n LEU 112 CO 0.63 -1.21 1.00 -0.81 -1.33 0.00 0.00 177.39 175.66 1njs n PRO 113 N -0.07 1.23 -2.19 3.23 -0.04 -1.26 -5.10 135.00 130.79 1njs n PRO 113 Ca 0.09 -0.33 -0.37 0.00 -0.04 0.00 0.00 63.50 62.85 1njs n PRO 113 Cb 0.40 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.93 5.96 -1.25 3.54 0.01 -0.75 -4.22 113.70 115.06 1njs s SER 114 Ca 0.42 2.34 -0.01 0.00 1.31 0.00 0.00 55.95 60.01 1njs s SER 114 Cb 0.20 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1njs s SER 114 CO 0.34 -1.06 0.83 0.49 0.41 0.00 0.00 173.24 174.25 1njs n PHE 115 N -0.71 -2.05 -1.50 2.43 3.72 -1.26 -4.48 117.46 113.60 1njs n PHE 115 Ca 0.09 0.87 -0.34 0.00 -0.05 0.00 0.00 57.45 58.02 1njs n PHE 115 Cb 0.48 -4.63 0.08 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 -5.65 2.28 0.00 -1.08 1.02 -1.26 -4.57 119.74 110.48 1njs s LYS 116 Ca 0.04 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.71 1njs s LYS 116 Cb -0.01 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1njs s LYS 116 CO 0.78 -1.71 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 1njs n GLY 117 N 0.20 1.51 0.00 -3.33 0.00 -1.26 -4.80 105.19 97.52 1njs n GLY 117 Ca 0.13 -2.03 0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 0.05 -2.61 1.61 3.41 -1.26 -3.64 113.62 111.17 1njs n SER 118 Ca 0.00 0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 1njs n SER 118 Cb 0.00 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.45 5.31 -0.26 4.04 6.94 -1.26 -4.86 115.26 123.72 1njs n ASN 119 Ca 0.08 -3.74 -0.03 0.00 -0.02 0.00 0.00 54.58 50.87 1njs n ASN 119 Cb 0.32 -0.60 0.15 0.00 -2.36 0.00 0.00 39.78 37.29 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 2.71 1.25 -0.64 -2.53 0.00 -1.80 -2.20 119.26 116.05 1njs h ALA 120 Ca 0.35 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1njs h ALA 120 Cb 0.71 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1njs h ALA 120 CO 0.97 0.60 0.08 0.45 0.00 0.00 0.00 179.25 181.35 1njs h HIS 121 N 1.11 1.14 -0.76 0.00 3.86 -1.89 0.08 115.15 118.69 1njs h HIS 121 Ca 0.28 -0.16 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1njs h HIS 121 Cb 0.05 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.17 1njs h HIS 121 CO 0.01 0.97 0.30 1.49 0.86 0.00 0.00 177.93 181.56 1njs h GLU 122 N 1.00 1.15 -0.51 2.45 4.81 -1.88 -0.86 114.58 120.73 1njs h GLU 122 Ca 0.19 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1njs h GLU 122 Cb 0.46 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1njs h GLU 122 CO 0.02 0.94 0.16 1.96 -0.73 0.00 0.00 179.01 181.35 1njs h GLN 123 N 1.11 0.80 -0.59 1.92 4.20 -0.92 -1.80 115.11 119.83 1njs h GLN 123 Ca 0.25 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 1njs h GLN 123 Cb 0.22 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1njs h GLN 123 CO -0.02 0.74 0.21 0.00 -0.67 0.00 0.00 178.83 179.09 1njs h ALA 124 N 1.02 0.77 -0.39 3.87 0.00 -0.67 -1.22 119.26 122.63 1njs h ALA 124 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1njs h ALA 124 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1njs h ALA 124 CO -0.00 0.41 0.05 -0.07 0.00 0.00 0.00 179.25 179.64 1njs h LEU 125 N 0.82 0.63 -0.96 0.00 3.38 -1.10 -1.58 115.31 116.51 1njs h LEU 125 Ca 0.19 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1njs h LEU 125 Cb 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1njs h LEU 125 CO -0.01 0.74 0.63 -0.08 0.09 0.00 0.00 178.44 179.81 1njs h GLU 126 N 0.50 1.18 0.00 1.13 4.81 -1.18 -2.93 114.58 118.10 1njs h GLU 126 Ca 0.12 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1njs h GLU 126 Cb 0.38 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1njs h GLU 126 CO 0.01 0.78 -0.57 1.15 -0.73 0.00 0.00 179.01 179.65 1njs h THR 127 N 1.22 1.10 0.00 0.32 2.02 -1.11 -3.48 112.91 112.98 1njs h THR 127 Ca 0.38 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1njs h THR 127 Cb -0.00 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1njs h THR 127 CO -0.12 0.56 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1njs n GLY 128 N 0.83 0.52 3.69 2.16 0.00 -0.61 -5.04 105.19 106.75 1njs n GLY 128 Ca 0.01 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.96 4.17 0.86 1.61 0.24 -1.20 -4.93 118.33 116.12 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 0.08 -1.42 -0.06 0.00 -1.47 0.00 0.00 33.84 30.98 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 -1.57 0.00 -4.03 3.34 -2.24 -1.26 -4.77 114.28 103.75 1njs n THR 130 Ca 0.14 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1njs n THR 130 Cb 0.46 1.10 -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 -2.49 0.63 0.00 2.28 1.01 -1.26 -0.45 120.40 120.13 1njs s VAL 131 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1njs s VAL 131 Cb 0.14 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1njs s VAL 131 CO 0.64 0.28 0.00 1.07 0.00 0.00 0.00 175.10 177.08 1njs n THR 132 N 4.55 0.00 -1.34 3.92 5.66 0.03 -4.90 114.28 122.20 1njs n THR 132 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 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 3.04 -0.55 3.20 1.09 0.00 -1.26 -0.27 105.19 110.44 1njs n GLY 133 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.93 -0.04 -0.22 0.00 2.01 0.18 -1.76 115.64 111.88 1njs s THR 135 Ca 0.11 0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 1njs s THR 135 Cb 0.06 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.40 1njs s THR 135 CO -0.06 0.06 0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 1njs s VAL 136 N 0.79 5.12 0.03 3.82 1.01 -0.13 -0.29 120.40 130.75 1njs s VAL 136 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1njs s VAL 136 Cb -0.09 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1njs s VAL 136 CO -0.03 0.39 -0.06 -1.38 0.00 0.00 0.00 175.10 174.02 1njs s HIS 137 N 0.78 0.55 0.58 5.22 -0.00 -0.84 -0.40 115.29 121.18 1njs s HIS 137 Ca 0.06 -0.48 -0.20 0.00 -0.00 0.00 0.00 55.06 54.44 1njs s HIS 137 Cb -0.13 -0.34 -0.03 0.00 -0.00 0.00 0.00 32.58 32.08 1njs s HIS 137 CO 0.02 -0.10 1.34 -0.06 -0.00 0.00 0.00 174.74 175.94 1njs s PHE 138 N -1.32 2.19 -0.17 0.38 0.08 0.02 -1.35 117.98 117.81 1njs s PHE 138 Ca -0.11 1.40 -0.21 0.00 0.12 0.00 0.00 56.93 58.14 1njs s PHE 138 Cb -0.09 -3.78 -0.03 0.00 -0.57 0.00 0.00 43.02 38.54 1njs s PHE 138 CO 0.00 -2.97 0.62 0.08 -0.10 0.00 0.00 175.22 172.85 1njs s VAL 139 N -1.32 5.05 0.44 -0.44 1.01 -0.18 -3.61 120.40 121.34 1njs s VAL 139 Ca 0.76 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.98 1njs s VAL 139 Cb -0.40 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1njs s VAL 139 CO 0.45 0.16 0.18 0.00 0.00 0.00 0.00 175.10 175.89 1njs s ALA 140 N 1.60 3.74 0.19 5.51 0.00 -1.26 -4.78 121.76 126.76 1njs s ALA 140 Ca 0.29 -1.80 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 1njs s ALA 140 Cb -0.16 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.73 1njs s ALA 140 CO 0.11 -0.19 1.85 1.49 0.00 0.00 0.00 175.76 179.03 1njs h GLU 141 N 1.35 0.84 -6.41 0.00 4.81 -1.94 -3.40 114.58 109.83 1njs h GLU 141 Ca -0.42 -0.05 -0.54 0.00 -0.13 0.00 0.00 59.36 58.21 1njs h GLU 141 Cb 1.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1njs h GLU 141 CO 0.70 0.56 0.66 -0.51 -0.73 0.00 0.00 179.01 179.68 1njs s ASP 142 N -5.79 7.03 0.20 1.04 1.01 -1.26 -4.93 116.67 113.97 1njs s ASP 142 Ca -0.13 1.97 -0.32 0.00 0.71 0.00 0.00 52.55 54.78 1njs s ASP 142 Cb 0.14 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.38 1njs s ASP 142 CO 0.76 -0.55 1.66 -0.69 0.21 0.00 0.00 175.17 176.56 1njs s VAL 143 N 1.68 2.25 -1.52 -1.27 1.01 -1.26 -2.60 120.40 118.68 1njs s VAL 143 Ca 0.59 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1njs s VAL 143 Cb -0.28 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.00 1njs s VAL 143 CO 0.26 0.01 0.45 0.47 0.00 0.00 0.00 175.10 176.30 1njs n ASP 144 N 3.91 -5.59 0.00 3.32 8.00 -1.26 -4.84 116.55 120.09 1njs n ASP 144 Ca 0.15 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1njs n ASP 144 Cb 0.36 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 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 -3.22 1.16 -1.62 2.24 0.00 -1.07 -4.94 120.51 113.07 1njs n ALA 145 Ca -0.12 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 1njs n ALA 145 Cb 0.62 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.23 1.65 0.21 0.00 0.00 -1.25 -4.90 107.32 102.82 1njs s GLY 146 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.54 1njs s GLY 146 CO 0.00 -0.17 1.48 1.20 0.00 0.00 0.00 173.10 175.61 1njs s GLN 147 N -5.56 4.25 -0.01 2.90 -1.52 -1.24 -4.65 119.66 113.84 1njs s GLN 147 Ca 0.69 2.31 -0.30 0.00 -1.95 0.00 0.00 55.36 56.11 1njs s GLN 147 Cb -0.09 -3.13 -0.03 0.00 -0.22 0.00 0.00 33.01 29.53 1njs s GLN 147 CO 0.53 -0.49 1.01 0.42 -0.25 0.00 0.00 175.29 176.51 1njs s ILE 148 N 0.45 4.78 -0.15 1.08 1.01 -1.26 -0.80 121.20 126.31 1njs s ILE 148 Ca 0.63 2.00 -0.13 0.00 0.00 0.00 0.00 60.65 63.15 1njs s ILE 148 Cb -0.42 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 1njs s ILE 148 CO 0.38 0.13 -0.26 -0.38 0.00 0.00 0.00 174.94 174.82 1njs n ILE 149 N 3.99 1.37 -4.09 2.92 5.41 0.46 -4.94 119.36 124.49 1njs n ILE 149 Ca 0.07 0.19 -0.10 0.00 1.00 0.00 0.00 62.75 63.91 1njs n ILE 149 Cb 0.50 -2.32 -0.10 0.00 -0.71 0.00 0.00 39.64 37.01 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 2.40 0.05 1.39 1.43 -1.12 -5.01 118.68 109.98 1njs s LEU 150 Ca -0.21 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.04 1njs s LEU 150 Cb 0.03 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.25 1njs s LEU 150 CO 0.32 -0.42 0.04 -1.10 0.23 0.00 0.00 176.35 175.41 1njs s GLN 151 N -2.93 0.61 -0.08 1.70 -0.21 -1.26 -0.96 119.66 116.54 1njs s GLN 151 Ca 0.00 -1.00 -0.04 0.00 0.02 0.00 0.00 55.36 54.35 1njs s GLN 151 Cb -0.00 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.28 1njs s GLN 151 CO -0.05 -0.14 0.18 -2.00 -2.12 0.00 0.00 175.29 171.17 1njs s GLU 152 N -3.34 0.13 0.35 2.91 2.12 -0.72 -4.99 118.70 115.16 1njs s GLU 152 Ca 0.01 0.43 -0.25 0.00 0.36 0.00 0.00 54.97 55.52 1njs s GLU 152 Cb 0.03 -0.16 -0.10 0.00 0.26 0.00 0.00 34.13 34.17 1njs s GLU 152 CO -0.08 -0.16 0.97 0.00 -0.54 0.00 0.00 175.26 175.44 1njs s ALA 153 N 1.20 3.16 -0.03 6.30 0.00 -1.26 -1.60 121.76 129.53 1njs s ALA 153 Ca -0.09 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1njs s ALA 153 Cb -0.11 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1njs s ALA 153 CO -0.07 0.09 -0.03 0.08 0.00 0.00 0.00 175.76 175.83 1njs s VAL 154 N -1.71 0.42 0.49 0.00 1.01 0.63 -4.89 120.40 116.35 1njs s VAL 154 Ca 0.53 -0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 1njs s VAL 154 Cb -0.18 -0.45 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 1njs s VAL 154 CO 0.23 0.19 1.25 -2.16 0.00 0.00 0.00 175.10 174.61 1njs s PRO 155 N 0.78 3.54 -0.15 2.72 0.04 -1.26 -0.79 135.00 139.88 1njs s PRO 155 Ca -0.10 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.78 1njs s PRO 155 Cb -0.13 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1njs s PRO 155 CO -0.00 -0.79 0.31 0.08 0.04 0.00 0.00 177.00 176.63 1njs s VAL 156 N -1.43 5.29 -0.03 -0.36 1.01 0.41 -4.78 120.40 120.51 1njs s VAL 156 Ca 0.66 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.10 1njs s VAL 156 Cb -0.34 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1njs s VAL 156 CO 0.41 0.40 0.34 -0.54 0.00 0.00 0.00 175.10 175.70 1njs s LYS 157 N 0.39 3.78 0.13 2.72 1.02 -1.26 -4.81 119.74 121.72 1njs s LYS 157 Ca 0.17 0.25 -0.33 0.00 0.02 0.00 0.00 55.97 56.09 1njs s LYS 157 Cb -0.13 -3.20 -0.13 0.00 -0.52 0.00 0.00 37.83 33.85 1njs s LYS 157 CO 0.05 0.71 1.70 0.54 -0.92 0.00 0.00 175.35 177.43 1njs n ARG 158 N 1.80 2.44 -0.13 1.68 1.74 -1.26 -1.18 116.66 121.75 1njs n ARG 158 Ca -0.15 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1njs n ARG 158 Cb 0.53 -2.71 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 3.84 0.60 3.62 -0.13 0.00 -1.26 -5.05 105.19 106.81 1njs n GLY 159 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 1.56 -5.03 1.61 8.00 -0.33 -5.03 116.55 117.33 1njs n ASP 160 Ca 0.00 1.09 -0.19 0.00 0.71 0.00 0.00 54.79 56.40 1njs n ASP 160 Cb 0.00 -1.37 0.05 0.00 -0.02 0.00 0.00 41.12 39.78 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 -1.20 2.27 0.21 -3.53 -4.23 -1.26 -4.95 115.64 102.95 1njs s THR 161 Ca 0.61 -1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.02 1njs s THR 161 Cb -0.59 -2.28 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1njs s THR 161 CO 0.58 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 177.03 1njs h VAL 162 N 0.27 0.90 -0.04 2.29 2.07 -1.96 -1.78 116.25 118.01 1njs h VAL 162 Ca -0.32 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1njs h VAL 162 Cb 1.29 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1njs h VAL 162 CO 0.42 0.11 -0.02 0.00 0.02 0.00 0.00 177.57 178.10 1njs h ALA 163 N 1.38 0.01 -0.13 1.67 0.00 -1.98 0.10 119.26 120.31 1njs h ALA 163 Ca 0.31 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1njs h ALA 163 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1njs h ALA 163 CO -0.23 -0.51 -0.57 1.79 0.00 0.00 0.00 179.25 179.74 1njs h THR 164 N -0.02 1.35 -0.17 0.00 1.35 -1.91 -1.60 112.91 111.90 1njs h THR 164 Ca 0.02 -1.86 -0.13 0.00 -0.55 0.00 0.00 66.41 63.90 1njs h THR 164 Cb 0.06 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1njs h THR 164 CO -0.05 0.56 -0.40 0.25 -0.25 0.00 0.00 175.52 175.63 1njs h LEU 165 N 0.30 0.65 -0.59 3.87 5.85 -1.28 -2.57 115.31 121.54 1njs h LEU 165 Ca 0.00 -0.57 0.06 0.00 0.84 0.00 0.00 57.88 58.22 1njs h LEU 165 Cb 1.08 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1njs h LEU 165 CO 0.10 1.10 0.29 -1.28 -0.34 0.00 0.00 178.44 178.31 1njs h SER 166 N 0.23 0.40 -0.57 1.25 0.87 -0.65 -1.28 113.55 113.80 1njs h SER 166 Ca -0.00 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1njs h SER 166 Cb 1.00 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1njs h SER 166 CO 0.09 0.26 0.19 -0.33 -0.53 0.00 0.00 176.83 176.51 1njs h GLU 167 N 0.54 0.87 -0.51 2.24 4.39 -1.24 0.13 114.58 121.01 1njs h GLU 167 Ca 0.27 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 1njs h GLU 167 Cb 0.22 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1njs h GLU 167 CO -0.21 0.78 0.08 -0.09 -1.16 0.00 0.00 179.01 178.41 1njs h ARG 168 N 0.79 0.85 -0.41 2.33 2.43 -1.04 -2.80 114.38 116.54 1njs h ARG 168 Ca 0.19 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1njs h ARG 168 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1njs h ARG 168 CO -0.01 0.84 -0.20 0.28 -1.51 0.00 0.00 179.97 179.37 1njs h VAL 169 N 0.73 1.27 -0.98 0.20 2.07 -1.07 -2.92 116.25 115.55 1njs h VAL 169 Ca 0.15 -1.31 0.11 0.00 0.82 0.00 0.00 66.70 66.47 1njs h VAL 169 Cb 0.41 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 1njs h VAL 169 CO 0.01 0.44 0.62 0.11 0.02 0.00 0.00 177.57 178.78 1njs h LYS 170 N 0.70 0.97 -0.99 1.57 1.57 -0.74 -0.09 116.57 119.56 1njs h LYS 170 Ca 0.10 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1njs h LYS 170 Cb 0.72 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1njs h LYS 170 CO 0.06 0.64 0.64 -0.07 -0.57 0.00 0.00 179.45 180.15 1njs h LEU 171 N 1.00 1.04 -0.33 2.94 3.38 -1.30 -0.71 115.31 121.33 1njs h LEU 171 Ca 0.47 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.25 1njs h LEU 171 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1njs h LEU 171 CO -0.23 0.67 -0.67 0.00 0.09 0.00 0.00 178.44 178.30 1njs h ALA 172 N 1.44 0.50 -0.77 1.53 0.00 -1.30 -3.22 119.26 117.43 1njs h ALA 172 Ca 0.42 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1njs h ALA 172 Cb 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1njs h ALA 172 CO -0.16 0.70 0.45 0.93 0.00 0.00 0.00 179.25 181.17 1njs h GLU 173 N 0.48 0.79 0.00 0.00 5.08 -0.24 -0.77 114.58 119.92 1njs h GLU 173 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1njs h GLU 173 Cb 1.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1njs h GLU 173 CO 0.13 0.53 0.00 0.45 -1.00 0.00 0.00 179.01 179.12 1njs h HIS 174 N 0.82 0.00 0.00 4.33 3.86 -1.18 -1.20 115.15 121.77 1njs h HIS 174 Ca 0.35 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.46 1njs h HIS 174 Cb 0.21 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1njs h HIS 174 CO -0.06 0.00 -0.72 0.87 0.86 0.00 0.00 177.93 178.88 1njs h LYS 175 N 0.00 0.00 -0.01 2.45 1.57 -1.21 -3.41 116.57 115.96 1njs h LYS 175 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1njs h LYS 175 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1njs h LYS 175 CO 0.00 0.52 -0.74 -0.84 -0.57 0.00 0.00 179.45 177.83 1njs h ILE 176 N -1.00 1.48 -0.03 1.86 3.07 -1.06 -2.98 117.51 118.85 1njs h ILE 176 Ca -0.15 -2.40 -0.00 0.00 1.55 0.00 0.00 64.86 63.86 1njs h ILE 176 Cb 0.84 2.29 -0.00 0.00 -0.27 0.00 0.00 36.82 39.68 1njs h ILE 176 CO -0.09 0.69 0.00 0.15 -1.05 0.00 0.00 178.15 177.85 1njs h PHE 177 N 0.07 0.06 -0.74 0.16 3.57 -1.47 0.58 116.94 119.16 1njs h PHE 177 Ca -0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1njs h PHE 177 Cb 1.30 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 1njs h PHE 177 CO 0.01 0.34 0.46 -1.35 -2.23 0.00 0.00 178.31 175.54 1njs h PRO 178 N -0.24 1.00 -0.57 6.41 0.11 -1.78 -0.71 132.00 136.22 1njs h PRO 178 Ca 0.01 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1njs h PRO 178 Cb 0.32 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1njs h PRO 178 CO 0.00 0.69 0.14 0.00 -0.21 0.00 0.00 178.00 178.62 1njs h ALA 179 N 1.48 0.76 -0.44 -0.75 0.00 -1.34 -1.05 119.26 117.93 1njs h ALA 179 Ca 0.27 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1njs h ALA 179 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1njs h ALA 179 CO -0.05 0.46 -0.25 0.00 0.00 0.00 0.00 179.25 179.41 1njs h ALA 180 N 1.02 0.72 -0.58 0.00 0.00 -0.65 -1.71 119.26 118.06 1njs h ALA 180 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1njs h ALA 180 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1njs h ALA 180 CO 0.00 0.67 0.37 1.25 0.00 0.00 0.00 179.25 181.54 1njs h LEU 181 N 0.80 0.69 -0.61 0.00 5.85 -0.87 -1.52 115.31 119.65 1njs h LEU 181 Ca 0.10 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1njs h LEU 181 Cb 0.82 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1njs h LEU 181 CO 0.07 0.52 0.25 -0.61 -0.34 0.00 0.00 178.44 178.33 1njs h GLN 182 N 0.79 0.91 -0.55 1.25 5.75 -0.95 0.14 115.11 122.44 1njs h GLN 182 Ca 0.21 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1njs h GLN 182 Cb -0.05 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.30 1njs h GLN 182 CO -0.04 0.77 0.28 -0.07 -2.65 0.00 0.00 178.83 177.11 1njs h LEU 183 N 0.85 0.38 -0.03 -2.39 3.38 -0.99 -0.35 115.31 116.16 1njs h LEU 183 Ca 0.20 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1njs h LEU 183 Cb 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1njs h LEU 183 CO -0.02 0.26 -0.69 0.58 0.09 0.00 0.00 178.44 178.66 1njs h VAL 184 N 0.52 1.37 0.00 1.22 2.07 -0.98 -0.12 116.25 120.33 1njs h VAL 184 Ca 0.25 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1njs h VAL 184 Cb 0.18 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1njs h VAL 184 CO -0.18 0.62 -0.19 0.00 0.02 0.00 0.00 177.57 177.83 1njs h ALA 185 N 0.38 1.63 -0.00 1.67 0.00 -0.59 -1.69 119.26 120.65 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 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1njs h ALA 185 CO 0.14 0.24 -0.09 -1.13 0.00 0.00 0.00 179.25 178.40 1njs n SER 186 N -4.23 0.56 -0.17 0.00 3.41 -0.15 -4.56 113.62 108.47 1njs n SER 186 Ca -0.02 -0.73 -0.02 0.00 -0.26 0.00 0.00 58.87 57.83 1njs n SER 186 Cb 0.25 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.24 0.52 0.21 5.00 0.00 -0.64 -4.91 105.19 106.61 1njs n GLY 187 Ca 0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.32 -3.29 2.61 2.02 -1.30 -3.42 112.91 110.85 1njs h THR 188 Ca -0.05 -2.00 -0.67 0.00 0.77 0.00 0.00 66.41 64.46 1njs h THR 188 Cb 0.38 1.99 -0.32 0.00 -1.74 0.00 0.00 68.15 68.46 1njs h THR 188 CO 0.07 0.62 -0.84 -0.69 0.37 0.00 0.00 175.52 175.05 1njs s VAL 189 N -3.75 2.36 0.11 3.16 1.01 -0.58 -0.09 120.40 122.62 1njs s VAL 189 Ca -0.08 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1njs s VAL 189 Cb 0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1njs s VAL 189 CO 0.87 0.54 -0.13 -1.10 0.00 0.00 0.00 175.10 175.29 1njs s GLN 190 N 0.55 0.94 -0.30 2.72 -0.21 0.28 -4.29 119.66 119.35 1njs s GLN 190 Ca -0.12 -1.18 -0.27 0.00 0.02 0.00 0.00 55.36 53.81 1njs s GLN 190 Cb -0.17 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.09 1njs s GLN 190 CO 0.04 0.14 0.95 -1.17 -2.12 0.00 0.00 175.29 173.13 1njs s LEU 191 N -2.39 4.02 0.72 2.90 0.20 -1.26 0.46 118.68 123.34 1njs s LEU 191 Ca 0.07 0.96 -0.11 0.00 0.69 0.00 0.00 54.13 55.73 1njs s LEU 191 Cb -0.05 -3.35 0.02 0.00 -0.43 0.00 0.00 46.19 42.39 1njs s LEU 191 CO 0.02 -0.73 1.08 -0.83 -0.29 0.00 0.00 176.35 175.60 1njs s GLY 192 N 1.55 1.64 0.21 7.98 0.00 0.92 -4.91 107.32 114.71 1njs s GLY 192 Ca 0.40 -0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.83 1njs s GLY 192 CO 0.12 0.16 1.81 0.83 0.00 0.00 0.00 173.10 176.03 1njs h GLU 193 N -0.75 0.71 0.00 2.90 5.08 -1.97 -0.12 114.58 120.43 1njs h GLU 193 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1njs h GLU 193 Cb 1.24 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1njs h GLU 193 CO 0.61 0.47 0.00 0.27 -1.00 0.00 0.00 179.01 179.36 1njs n ASN 194 N -4.76 0.00 0.00 1.42 0.23 -1.26 -4.77 115.26 106.12 1njs n ASN 194 Ca 0.09 -0.17 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1njs n ASN 194 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1njs n ASN 194 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1njs n GLY 195 N -0.43 0.61 3.82 4.83 0.00 -0.06 -5.00 105.19 108.96 1njs n GLY 195 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.39 3.00 0.30 1.61 -0.14 -1.25 -4.80 119.74 118.08 1njs s LYS 196 Ca 0.00 -0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 53.56 1njs s LYS 196 Cb 0.00 -2.73 -0.10 0.00 -1.68 0.00 0.00 37.83 33.31 1njs s LYS 196 CO 0.00 0.52 1.32 0.42 -0.76 0.00 0.00 175.35 176.85 1njs s ILE 197 N -1.64 2.78 -0.09 2.17 1.01 -1.26 -0.06 121.20 124.11 1njs s ILE 197 Ca 0.31 0.75 0.03 0.00 0.00 0.00 0.00 60.65 61.74 1njs s ILE 197 Cb -0.11 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.89 1njs s ILE 197 CO 0.24 0.16 -0.18 0.00 0.00 0.00 0.00 174.94 175.17 1njs s TRP 199 N 0.63 3.23 -2.42 0.00 0.52 -1.26 -0.56 118.94 119.07 1njs s TRP 199 Ca -0.14 0.16 0.29 0.00 0.02 0.00 0.00 56.10 56.43 1njs s TRP 199 Cb -0.16 -2.51 1.18 0.00 -1.15 0.00 0.00 33.47 30.83 1njs s TRP 199 CO 0.04 -0.25 1.82 0.28 0.02 0.00 0.00 176.95 178.86