#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jmv s TYR 2 N 0.00 3.02 -0.07 2.03 1.51 -1.26 -4.95 117.35 117.62 1jmv s TYR 2 Ca 0.00 1.55 0.14 0.00 -1.01 0.00 0.00 57.07 57.75 1jmv s TYR 2 Cb 0.00 -3.39 -0.21 0.00 -0.11 0.00 0.00 41.96 38.25 1jmv s TYR 2 CO 0.00 -1.37 0.21 1.63 -1.11 0.00 0.00 175.55 174.91 1jmv n LYS 3 N -0.05 1.01 -3.25 -0.62 5.02 -1.26 -4.32 118.16 114.69 1jmv n LYS 3 Ca 0.05 -0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1jmv n LYS 3 Cb 0.47 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1jmv n LYS 3 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1jmv s HIS 4 N -2.74 -1.24 -0.10 2.13 5.04 -1.26 -1.44 115.29 115.68 1jmv s HIS 4 Ca -0.06 1.26 -0.12 0.00 -1.54 0.00 0.00 55.06 54.60 1jmv s HIS 4 Cb 0.07 0.29 -0.05 0.00 0.04 0.00 0.00 32.58 32.94 1jmv s HIS 4 CO 0.60 -0.81 0.28 0.42 -2.34 0.00 0.00 174.74 172.89 1jmv s ILE 5 N 2.71 5.29 -0.14 0.89 1.01 -0.08 -0.80 121.20 130.07 1jmv s ILE 5 Ca 0.17 0.52 0.01 0.00 0.00 0.00 0.00 60.65 61.35 1jmv s ILE 5 Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1jmv s ILE 5 CO -0.19 0.51 -0.18 -0.22 0.00 0.00 0.00 174.94 174.87 1jmv s LEU 6 N -0.41 1.89 -0.20 2.97 2.96 -0.15 -0.47 118.68 125.27 1jmv s LEU 6 Ca 0.18 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1jmv s LEU 6 Cb -0.14 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1jmv s LEU 6 CO 0.06 0.01 0.05 -0.69 -1.32 0.00 0.00 176.35 174.46 1jmv s VAL 7 N 1.15 4.47 -0.23 1.68 1.01 -0.34 -0.53 120.40 127.60 1jmv s VAL 7 Ca -0.01 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1jmv s VAL 7 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1jmv s VAL 7 CO -0.07 0.43 0.48 0.00 0.00 0.00 0.00 175.10 175.94 1jmv s ALA 8 N 0.77 3.57 -0.00 5.51 0.00 -0.26 -1.22 121.76 130.13 1jmv s ALA 8 Ca 0.02 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1jmv s ALA 8 Cb -0.14 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 1jmv s ALA 8 CO 0.02 -0.55 -0.16 0.14 0.00 0.00 0.00 175.76 175.21 1jmv s VAL 9 N 1.86 1.30 -1.55 0.00 -7.23 -0.29 -4.56 120.40 109.94 1jmv s VAL 9 Ca 0.21 -0.78 0.19 0.00 -1.81 0.00 0.00 61.98 59.79 1jmv s VAL 9 Cb -0.15 -1.10 0.58 0.00 0.56 0.00 0.00 36.38 36.27 1jmv s VAL 9 CO 0.09 0.30 1.49 -0.90 -0.31 0.00 0.00 175.10 175.77 1jmv n ASP 10 N 2.50 3.86 -2.99 4.85 3.85 -1.26 -0.52 116.55 126.85 1jmv n ASP 10 Ca -0.15 -2.10 -0.21 0.00 -0.71 0.00 0.00 54.79 51.62 1jmv n ASP 10 Cb 0.54 -0.45 0.05 0.00 -1.35 0.00 0.00 41.12 39.92 1jmv n ASP 10 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1jmv n LEU 11 N 1.26 -2.92 0.00 -2.12 4.77 -1.26 -4.93 117.00 111.79 1jmv n LEU 11 Ca 0.22 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 1jmv n LEU 11 Cb 0.63 -2.74 0.05 0.00 -2.33 0.00 0.00 43.42 39.03 1jmv n LEU 11 CO 0.16 0.40 0.24 -0.24 -1.33 0.00 0.00 177.39 176.62 1jmv n SER 12 N -2.29 1.04 0.21 -1.43 2.88 -1.26 -4.96 113.62 107.81 1jmv n SER 12 Ca -0.05 -1.79 0.08 0.00 -1.33 0.00 0.00 58.87 55.79 1jmv n SER 12 Cb 0.58 -0.28 0.41 0.00 -0.75 0.00 0.00 64.21 64.17 1jmv n SER 12 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1jmv h GLU 13 N 0.00 0.00 0.00 -1.46 9.09 -2.04 -2.67 114.58 117.50 1jmv h GLU 13 Ca -0.16 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.21 1jmv h GLU 13 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.79 1jmv h GLU 13 CO 0.21 0.29 -0.19 1.49 0.05 0.00 0.00 179.01 180.86 1jmv h GLU 14 N 0.00 0.00 -0.32 1.06 4.81 -2.01 -3.29 114.58 114.84 1jmv h GLU 14 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jmv h GLU 14 Cb 0.80 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1jmv h GLU 14 CO 0.04 0.19 0.20 0.77 -0.73 0.00 0.00 179.01 179.48 1jmv h SER 15 N 0.00 0.37 -0.81 1.04 0.02 -1.84 -2.24 113.55 110.09 1jmv h SER 15 Ca -0.00 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1jmv h SER 15 Cb 0.50 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1jmv h SER 15 CO 0.02 0.29 0.51 -0.65 -1.14 0.00 0.00 176.83 175.86 1jmv h PRO 16 N 0.42 0.93 -0.59 3.45 0.11 -1.74 -0.43 132.00 134.15 1jmv h PRO 16 Ca 0.12 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 1jmv h PRO 16 Cb -0.02 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1jmv h PRO 16 CO -0.02 0.61 0.04 0.82 -0.21 0.00 0.00 178.00 179.24 1jmv h ILE 17 N 0.96 1.26 -0.71 4.15 2.04 -1.71 -1.40 117.51 122.10 1jmv h ILE 17 Ca 0.34 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1jmv h ILE 17 Cb 0.09 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1jmv h ILE 17 CO -0.14 0.39 0.26 0.25 0.00 0.00 0.00 178.15 178.90 1jmv h LEU 18 N 0.90 1.01 -0.66 1.44 5.85 -0.87 -1.90 115.31 121.07 1jmv h LEU 18 Ca 0.17 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1jmv h LEU 18 Cb 0.50 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1jmv h LEU 18 CO 0.02 0.93 0.20 0.25 -0.34 0.00 0.00 178.44 179.50 1jmv h LEU 19 N 1.03 0.97 -0.77 2.25 6.46 -0.84 -1.26 115.31 123.16 1jmv h LEU 19 Ca 0.23 -0.21 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 1jmv h LEU 19 Cb 0.25 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1jmv h LEU 19 CO -0.01 0.93 -0.26 0.11 -0.62 0.00 0.00 178.44 178.59 1jmv h LYS 20 N 0.97 0.65 -0.65 1.25 1.57 -1.02 -0.56 116.57 118.77 1jmv h LYS 20 Ca 0.21 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1jmv h LYS 20 Cb 0.31 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1jmv h LYS 20 CO -0.01 0.84 0.16 -0.22 -0.57 0.00 0.00 179.45 179.65 1jmv h LYS 21 N 0.56 1.05 -0.38 3.15 3.64 -1.05 -2.15 116.57 121.39 1jmv h LYS 21 Ca 0.08 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 1jmv h LYS 21 Cb 0.74 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1jmv h LYS 21 CO 0.06 0.94 -0.08 0.00 -2.27 0.00 0.00 179.45 178.10 1jmv h ALA 22 N 1.06 1.15 -0.57 5.00 0.00 -0.80 -2.48 119.26 122.63 1jmv h ALA 22 Ca 0.21 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jmv h ALA 22 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jmv h ALA 22 CO 0.00 0.54 0.36 0.28 0.00 0.00 0.00 179.25 180.44 1jmv h VAL 23 N 0.60 1.12 -0.96 0.00 2.07 -0.75 0.82 116.25 119.14 1jmv h VAL 23 Ca 0.11 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1jmv h VAL 23 Cb 0.49 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1jmv h VAL 23 CO 0.03 0.13 0.62 1.23 0.02 0.00 0.00 177.57 179.61 1jmv h GLY 24 N 0.74 1.39 0.86 2.17 0.00 -0.97 0.14 103.07 107.40 1jmv h GLY 24 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1jmv h GLY 24 CO -0.06 0.42 -0.11 -2.22 0.00 0.00 0.00 176.54 174.56 1jmv h ILE 25 N 1.22 1.30 -0.95 2.60 2.04 -1.01 -2.70 117.51 120.01 1jmv h ILE 25 Ca 0.38 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1jmv h ILE 25 Cb -0.02 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1jmv h ILE 25 CO -0.11 0.37 0.63 0.00 0.00 0.00 0.00 178.15 179.04 1jmv h ALA 26 N 0.73 1.32 -0.56 1.87 0.00 -0.13 -1.27 119.26 121.23 1jmv h ALA 26 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jmv h ALA 26 Cb 0.62 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1jmv h ALA 26 CO 0.04 0.63 0.17 0.87 0.00 0.00 0.00 179.25 180.96 1jmv h LYS 27 N 1.29 0.84 -0.03 0.00 1.57 -0.65 0.45 116.57 120.04 1jmv h LYS 27 Ca 0.35 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 1jmv h LYS 27 Cb -0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1jmv h LYS 27 CO -0.08 0.73 -0.79 0.00 -0.57 0.00 0.00 179.45 178.74 1jmv h ARG 28 N 0.82 0.30 -0.01 3.15 3.08 -1.09 -3.22 114.38 117.41 1jmv h ARG 28 Ca 0.19 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jmv h ARG 28 Cb 0.25 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1jmv h ARG 28 CO -0.01 0.95 -0.34 0.72 -1.07 0.00 0.00 179.97 180.23 1jmv n HIS 29 N -3.76 0.00 -3.80 3.04 8.25 -0.53 -4.94 115.22 113.48 1jmv n HIS 29 Ca -0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 1jmv n HIS 29 Cb 0.75 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.79 1jmv n HIS 29 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1jmv n ASP 30 N -0.47 -1.59 -4.91 0.41 8.00 0.14 -4.67 116.55 113.48 1jmv n ASP 30 Ca 0.11 -0.86 -0.21 0.00 0.71 0.00 0.00 54.79 54.54 1jmv n ASP 30 Cb 0.39 -3.79 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 1jmv n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jmv s ALA 31 N -3.67 3.85 0.55 2.24 0.00 -0.42 -4.93 121.76 119.37 1jmv s ALA 31 Ca 0.12 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 1jmv s ALA 31 Cb -0.06 -1.49 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 1jmv s ALA 31 CO 0.83 0.16 1.03 0.15 0.00 0.00 0.00 175.76 177.94 1jmv s LYS 32 N -3.97 3.61 -0.06 0.00 1.02 -0.52 -4.81 119.74 115.01 1jmv s LYS 32 Ca 0.36 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.53 1jmv s LYS 32 Cb -0.08 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 1jmv s LYS 32 CO 0.28 -0.57 -0.08 -1.17 -0.92 0.00 0.00 175.35 172.89 1jmv s LEU 33 N -4.15 1.43 0.17 3.17 2.96 -1.26 -0.90 118.68 120.11 1jmv s LEU 33 Ca 0.63 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 1jmv s LEU 33 Cb -0.14 -0.66 -0.05 0.00 0.50 0.00 0.00 46.19 45.84 1jmv s LEU 33 CO 0.31 -0.03 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.78 1jmv s SER 34 N 0.93 2.01 -0.03 3.68 0.01 0.38 0.46 113.70 121.14 1jmv s SER 34 Ca -0.10 -1.04 0.03 0.00 1.31 0.00 0.00 55.95 56.15 1jmv s SER 34 Cb -0.15 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.04 1jmv s SER 34 CO 0.01 -0.31 -0.13 -0.63 0.41 0.00 0.00 173.24 172.59 1jmv s ILE 35 N -3.24 1.06 -0.11 1.44 1.01 -0.66 -1.20 121.20 119.50 1jmv s ILE 35 Ca 0.20 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1jmv s ILE 35 Cb 0.02 -0.92 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1jmv s ILE 35 CO 0.03 0.32 -0.12 -0.51 0.00 0.00 0.00 174.94 174.66 1jmv s ILE 36 N 0.05 1.31 -0.12 2.92 2.07 -0.35 -0.84 121.20 126.22 1jmv s ILE 36 Ca -0.02 -0.50 -0.28 0.00 -1.41 0.00 0.00 60.65 58.45 1jmv s ILE 36 Cb -0.09 -1.24 -0.01 0.00 0.13 0.00 0.00 42.46 41.25 1jmv s ILE 36 CO 0.01 0.41 0.94 -2.28 -1.91 0.00 0.00 174.94 172.11 1jmv s HIS 37 N 1.32 3.49 -0.25 3.50 5.65 0.64 -1.13 115.29 128.50 1jmv s HIS 37 Ca -0.01 1.48 -0.05 0.00 0.25 0.00 0.00 55.06 56.73 1jmv s HIS 37 Cb -0.14 -3.12 -0.00 0.00 -1.18 0.00 0.00 32.58 28.14 1jmv s HIS 37 CO -0.06 -0.22 0.02 0.14 -0.65 0.00 0.00 174.74 173.97 1jmv s VAL 38 N 2.03 3.71 -0.29 0.89 -7.23 0.32 -0.86 120.40 118.97 1jmv s VAL 38 Ca 0.45 -0.54 -0.23 0.00 -1.81 0.00 0.00 61.98 59.85 1jmv s VAL 38 Cb -0.18 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.97 1jmv s VAL 38 CO 0.16 0.27 0.77 -0.62 -0.31 0.00 0.00 175.10 175.38 1jmv s ASP 39 N 1.50 6.68 0.00 4.85 3.68 -0.37 -4.43 116.67 128.57 1jmv s ASP 39 Ca 0.04 0.72 0.26 0.00 2.13 0.00 0.00 52.55 55.71 1jmv s ASP 39 Cb -0.16 -2.40 0.97 0.00 -1.45 0.00 0.00 42.92 39.88 1jmv s ASP 39 CO -0.00 -0.57 1.69 1.33 0.13 0.00 0.00 175.17 177.76 1jmv n VAL 40 N 5.45 0.05 -3.17 1.11 0.24 -1.26 -4.47 118.33 116.27 1jmv n VAL 40 Ca 0.03 -0.28 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 1jmv n VAL 40 Cb 0.48 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.28 1jmv n VAL 40 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jmv s ASN 41 N -1.90 6.92 0.04 -1.34 0.02 -1.26 -4.89 114.94 112.52 1jmv s ASN 41 Ca 0.37 1.29 -0.27 0.00 -1.02 0.00 0.00 52.86 53.23 1jmv s ASN 41 Cb 0.20 -2.37 -0.17 0.00 0.02 0.00 0.00 41.25 38.93 1jmv s ASN 41 CO 0.32 -0.02 1.44 -0.26 0.02 0.00 0.00 177.10 178.60 1jmv h PHE 42 N 3.10 -0.42 0.00 2.20 -1.00 -1.98 -3.42 116.94 115.42 1jmv h PHE 42 Ca -0.48 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.29 1jmv h PHE 42 Cb 1.19 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.89 1jmv h PHE 42 CO 0.63 -0.15 0.00 -1.13 -1.61 0.00 0.00 178.31 176.05 1jmv n SER 43 N -5.21 0.00 0.00 2.17 3.41 -1.26 -4.68 113.62 108.05 1jmv n SER 43 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1jmv n SER 43 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1jmv n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jmv n LEU 45 N 0.00 0.00 -4.56 1.04 -0.00 -1.26 -5.19 117.00 107.03 1jmv n LEU 45 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1jmv n LEU 45 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 1jmv n LEU 45 CO 0.00 0.00 0.84 -0.72 -0.00 0.00 0.00 177.39 177.51 1jmv s TYR 46 N -1.27 2.82 0.46 1.47 -0.85 -1.26 -5.02 117.35 113.70 1jmv s TYR 46 Ca 0.00 0.32 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 1jmv s TYR 46 Cb 0.00 -4.14 -0.05 0.00 0.38 0.00 0.00 41.96 38.15 1jmv s TYR 46 CO 0.00 -1.27 0.02 0.95 -1.52 0.00 0.00 175.55 173.73 1jmv s THR 47 N 4.08 1.64 0.00 -3.49 -4.23 -1.26 -4.87 115.64 107.51 1jmv s THR 47 Ca 0.38 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1jmv s THR 47 Cb -0.10 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1jmv s THR 47 CO 0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 1jmv n GLY 48 N -1.12 -2.02 3.72 3.99 0.00 -0.67 -4.92 105.19 104.17 1jmv n GLY 48 Ca -0.11 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.33 1jmv n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jmv s LEU 49 N 0.00 4.31 0.07 0.99 2.96 -1.26 -2.79 118.68 122.95 1jmv s LEU 49 Ca 0.00 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 54.95 1jmv s LEU 49 Cb 0.00 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1jmv s LEU 49 CO 0.00 -0.03 -0.12 0.27 -1.32 0.00 0.00 176.35 175.15 1jmv s ILE 50 N 0.59 0.96 -0.44 6.68 -4.36 0.09 -5.00 121.20 119.72 1jmv s ILE 50 Ca 0.31 -1.27 -0.16 0.00 -0.26 0.00 0.00 60.65 59.27 1jmv s ILE 50 Cb -0.16 -0.98 0.04 0.00 1.25 0.00 0.00 42.46 42.61 1jmv s ILE 50 CO 0.14 -0.28 0.40 -0.62 0.24 0.00 0.00 174.94 174.82 1jmv s ASP 51 N -1.75 6.16 0.39 4.36 -1.08 -1.26 -1.52 116.67 121.97 1jmv s ASP 51 Ca -0.03 -0.99 0.27 0.00 -0.52 0.00 0.00 52.55 51.28 1jmv s ASP 51 Cb -0.10 -2.20 1.35 0.00 -1.46 0.00 0.00 42.92 40.51 1jmv s ASP 51 CO 0.02 -0.60 1.83 0.58 0.52 0.00 0.00 175.17 177.52 1jmv h VAL 52 N 5.72 0.00 -0.00 1.11 2.07 -1.44 -1.62 116.25 122.09 1jmv h VAL 52 Ca -0.27 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1jmv h VAL 52 Cb 1.11 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1jmv h VAL 52 CO 0.82 0.00 -0.09 0.59 0.02 0.00 0.00 177.57 178.91 1jmv n ASN 53 N -2.48 0.11 -3.13 0.57 3.02 -1.25 -4.41 115.26 107.70 1jmv n ASN 53 Ca -0.00 0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 54.69 1jmv n ASN 53 Cb 0.13 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1jmv n ASN 53 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1jmv s MET 54 N -2.92 0.87 0.00 3.52 1.00 -0.61 -5.17 119.30 115.99 1jmv s MET 54 Ca 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 55.69 54.88 1jmv s MET 54 Cb 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 34.83 34.62 1jmv s MET 54 CO 0.55 -1.27 0.00 0.45 0.00 0.00 0.00 175.02 174.75 1jmv n SER 55 N 3.63 0.00 0.00 3.03 2.88 -1.20 -4.55 113.62 117.41 1jmv n SER 55 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1jmv n SER 55 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1jmv n SER 55 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jmv n THR 65 N 0.00 0.00 0.25 2.46 -2.24 -1.26 -4.94 114.28 108.55 1jmv n THR 65 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1jmv n THR 65 Cb 0.00 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 68.83 1jmv n THR 65 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1jmv h GLN 66 N 0.00 0.00 0.38 -0.78 1.08 -2.05 -2.49 115.11 111.25 1jmv h GLN 66 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1jmv h GLN 66 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1jmv h GLN 66 CO 0.00 0.07 -0.18 -0.22 -0.95 0.00 0.00 178.83 177.55 1jmv h LYS 67 N 0.00 -0.49 -0.92 1.46 3.11 -2.05 -2.56 116.57 115.12 1jmv h LYS 67 Ca -0.00 0.03 0.23 0.00 -2.81 0.00 0.00 60.65 58.11 1jmv h LYS 67 Cb 0.13 0.11 -0.13 0.00 -1.00 0.00 0.00 32.23 31.34 1jmv h LYS 67 CO 0.01 -0.33 0.42 0.00 -2.81 0.00 0.00 179.45 176.74 1jmv h ALA 68 N -1.66 1.52 -0.27 5.00 0.00 -1.94 0.11 119.26 122.01 1jmv h ALA 68 Ca -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jmv h ALA 68 Cb 0.39 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jmv h ALA 68 CO 0.09 -0.36 0.13 1.25 0.00 0.00 0.00 179.25 180.35 1jmv h LEU 69 N 0.40 0.35 -0.61 0.00 5.85 -1.47 0.43 115.31 120.26 1jmv h LEU 69 Ca 0.59 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 59.06 1jmv h LEU 69 Cb 1.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1jmv h LEU 69 CO -0.54 0.37 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.58 1jmv h LEU 70 N 0.30 0.83 -0.04 2.25 3.38 -0.70 -1.36 115.31 119.98 1jmv h LEU 70 Ca 0.09 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jmv h LEU 70 Cb 0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jmv h LEU 70 CO -0.01 1.06 0.02 0.44 0.09 0.00 0.00 178.44 180.04 1jmv h ASP 71 N 0.68 0.05 -0.59 -0.43 3.45 -0.69 -1.05 116.42 117.84 1jmv h ASP 71 Ca 0.08 -0.03 0.10 0.00 0.43 0.00 0.00 57.03 57.62 1jmv h ASP 71 Cb 0.82 -0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 39.50 1jmv h ASP 71 CO 0.07 0.06 0.17 0.25 -1.57 0.00 0.00 179.24 178.22 1jmv h LEU 72 N 0.03 0.11 -1.65 1.55 5.85 -0.71 0.96 115.31 121.45 1jmv h LEU 72 Ca 0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1jmv h LEU 72 Cb 0.02 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1jmv h LEU 72 CO -0.00 0.07 -0.19 0.00 -0.34 0.00 0.00 178.44 177.98 1jmv h ALA 73 N 1.44 1.62 -0.00 1.25 0.00 -0.87 -1.81 119.26 120.88 1jmv h ALA 73 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jmv h ALA 73 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jmv h ALA 73 CO -0.34 0.23 -0.08 -0.85 0.00 0.00 0.00 179.25 178.21 1jmv n GLU 74 N -4.21 0.34 0.00 0.00 -0.00 0.25 -3.52 120.64 113.50 1jmv n GLU 74 Ca -0.02 -0.06 0.11 0.00 -0.00 0.00 0.00 57.16 57.19 1jmv n GLU 74 Cb 0.25 -1.50 0.51 0.00 -0.00 0.00 0.00 31.44 30.70 1jmv n GLU 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jmv n SER 75 N -1.28 0.00 -4.16 -1.84 3.41 -0.68 -4.77 113.62 104.31 1jmv n SER 75 Ca 0.11 0.41 -0.18 0.00 -0.26 0.00 0.00 58.87 58.96 1jmv n SER 75 Cb 0.29 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 1jmv n SER 75 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1jmv s VAL 76 N -2.93 1.05 -0.21 -3.33 -7.23 -1.23 -5.05 120.40 101.48 1jmv s VAL 76 Ca 0.13 -1.25 0.19 0.00 -1.81 0.00 0.00 61.98 59.24 1jmv s VAL 76 Cb 0.15 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1jmv s VAL 76 CO 0.41 -0.22 1.14 0.44 -0.31 0.00 0.00 175.10 176.56 1jmv h ASP 77 N 4.38 0.00 -3.34 4.85 3.32 -1.87 -3.47 116.42 120.30 1jmv h ASP 77 Ca -0.40 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.09 1jmv h ASP 77 Cb 1.19 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.85 1jmv h ASP 77 CO 0.41 0.32 0.59 0.00 -1.72 0.00 0.00 179.24 178.83 1jmv n TYR 78 N -2.94 2.43 -2.00 4.55 9.36 -1.26 -4.89 117.16 122.42 1jmv n TYR 78 Ca -0.02 0.50 -0.41 0.00 3.32 0.00 0.00 57.90 61.29 1jmv n TYR 78 Cb 0.69 -2.45 -0.02 0.00 -0.63 0.00 0.00 39.34 36.93 1jmv n TYR 78 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1jmv s PRO 79 N -1.64 4.26 -0.22 2.98 0.04 -1.26 -5.00 135.00 134.16 1jmv s PRO 79 Ca 0.57 2.34 -0.09 0.00 0.04 0.00 0.00 61.00 63.86 1jmv s PRO 79 Cb -0.56 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.88 1jmv s PRO 79 CO 0.60 -0.36 0.11 0.42 0.04 0.00 0.00 177.00 177.81 1jmv s ILE 80 N -0.67 4.97 0.00 0.56 -1.09 -1.26 -4.31 121.20 119.40 1jmv s ILE 80 Ca 0.54 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1jmv s ILE 80 Cb -0.42 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1jmv s ILE 80 CO 0.51 0.39 0.02 -1.20 -1.23 0.00 0.00 174.94 173.43 1jmv n SER 81 N 4.13 0.00 -4.85 3.58 7.64 0.17 -4.91 113.62 119.38 1jmv n SER 81 Ca -0.16 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.70 1jmv n SER 81 Cb 0.52 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 1jmv n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jmv s GLU 82 N -0.61 3.24 -0.27 1.43 0.41 -1.26 -5.02 118.70 116.61 1jmv s GLU 82 Ca 0.00 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.11 1jmv s GLU 82 Cb 0.00 -2.96 0.08 0.00 -1.78 0.00 0.00 34.13 29.48 1jmv s GLU 82 CO 0.00 0.64 0.03 0.15 -0.49 0.00 0.00 175.26 175.58 1jmv s LYS 83 N -2.07 1.17 0.38 1.61 1.02 -1.26 -1.65 119.74 118.94 1jmv s LYS 83 Ca 0.28 -1.11 0.08 0.00 0.02 0.00 0.00 55.97 55.23 1jmv s LYS 83 Cb -0.12 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1jmv s LYS 83 CO 0.20 -0.80 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.29 1jmv s LEU 84 N 1.44 2.78 0.00 3.17 1.43 -0.02 -1.10 118.68 126.39 1jmv s LEU 84 Ca 0.03 -1.31 -0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1jmv s LEU 84 Cb -0.18 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 1jmv s LEU 84 CO -0.13 -0.37 0.11 -0.55 0.23 0.00 0.00 176.35 175.64 1jmv s SER 85 N -3.66 0.04 -0.00 2.29 0.15 -0.57 -0.26 113.70 111.69 1jmv s SER 85 Ca 0.34 -0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.67 1jmv s SER 85 Cb 0.07 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1jmv s SER 85 CO 0.17 -0.33 0.24 -0.83 1.20 0.00 0.00 173.24 173.69 1jmv s GLY 86 N -1.26 -0.07 0.13 9.45 0.00 -0.04 -0.73 107.32 114.80 1jmv s GLY 86 Ca -0.13 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 1jmv s GLY 86 CO 0.01 -0.06 0.31 -1.35 0.00 0.00 0.00 173.10 172.01 1jmv s SER 87 N -1.38 -0.05 0.47 1.64 1.04 -1.12 -1.24 113.70 113.06 1jmv s SER 87 Ca -0.14 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1jmv s SER 87 Cb -0.06 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1jmv s SER 87 CO 0.03 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1jmv n GLY 88 N -0.17 1.40 3.53 7.32 0.00 -1.26 -1.67 105.19 114.33 1jmv n GLY 88 Ca -0.13 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1jmv n GLY 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jmv s ASP 89 N -4.00 6.43 0.39 1.61 -1.08 -1.26 -4.83 116.67 113.93 1jmv s ASP 89 Ca 0.00 -1.34 0.19 0.00 -0.52 0.00 0.00 52.55 50.88 1jmv s ASP 89 Cb 0.00 -2.52 0.76 0.00 -1.46 0.00 0.00 42.92 39.70 1jmv s ASP 89 CO 0.00 -1.48 1.77 -0.07 0.52 0.00 0.00 175.17 175.92 1jmv h LEU 90 N 12.23 0.00 -0.54 -1.34 3.38 -1.83 -0.97 115.31 126.24 1jmv h LEU 90 Ca 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1jmv h LEU 90 Cb 1.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1jmv h LEU 90 CO 1.31 0.35 -0.02 1.23 0.09 0.00 0.00 178.44 181.40 1jmv h GLY 91 N 1.86 1.04 0.88 0.83 0.00 -1.87 0.22 103.07 106.02 1jmv h GLY 91 Ca -0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 1jmv h GLY 91 CO 0.05 0.72 -0.24 -1.61 0.00 0.00 0.00 176.54 175.45 1jmv h GLN 92 N 0.84 0.56 -0.51 4.80 5.75 -1.86 -1.13 115.11 123.56 1jmv h GLN 92 Ca 0.15 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1jmv h GLN 92 Cb 0.56 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 1jmv h GLN 92 CO 0.03 0.89 0.23 0.28 -2.65 0.00 0.00 178.83 177.61 1jmv h VAL 93 N 0.24 0.90 -0.23 2.39 2.07 -1.06 0.22 116.25 120.79 1jmv h VAL 93 Ca 0.03 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1jmv h VAL 93 Cb 0.80 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1jmv h VAL 93 CO 0.06 0.08 -0.14 -0.07 0.02 0.00 0.00 177.57 177.52 1jmv h LEU 94 N 0.44 0.52 -0.48 2.57 3.38 -0.90 -0.14 115.31 120.70 1jmv h LEU 94 Ca 0.23 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1jmv h LEU 94 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jmv h LEU 94 CO -0.19 0.83 0.32 -1.28 0.09 0.00 0.00 178.44 178.21 1jmv h SER 95 N 0.20 0.55 -0.42 -0.43 0.87 -0.97 -0.73 113.55 112.62 1jmv h SER 95 Ca 0.05 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1jmv h SER 95 Cb 0.65 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1jmv h SER 95 CO 0.04 0.40 0.25 0.44 -0.53 0.00 0.00 176.83 177.43 1jmv h ASP 96 N 0.65 0.52 -0.59 6.23 3.32 -0.45 -1.67 116.42 124.43 1jmv h ASP 96 Ca 0.18 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1jmv h ASP 96 Cb -0.07 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1jmv h ASP 96 CO -0.04 0.43 0.29 0.00 -1.72 0.00 0.00 179.24 178.20 1jmv h ALA 97 N 1.11 0.76 -0.48 3.45 0.00 -0.64 0.92 119.26 124.38 1jmv h ALA 97 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jmv h ALA 97 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1jmv h ALA 97 CO -0.03 0.31 0.32 0.82 0.00 0.00 0.00 179.25 180.67 1jmv h ILE 98 N 0.80 1.12 -0.04 0.00 2.04 -0.99 -1.20 117.51 119.24 1jmv h ILE 98 Ca 0.20 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jmv h ILE 98 Cb 0.11 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1jmv h ILE 98 CO -0.03 0.12 -0.02 -0.08 0.00 0.00 0.00 178.15 178.14 1jmv h GLU 99 N 0.65 0.09 -0.89 2.37 4.57 -1.08 -2.38 114.58 117.92 1jmv h GLU 99 Ca 0.17 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1jmv h GLU 99 Cb -0.08 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 1jmv h GLU 99 CO -0.04 0.49 0.51 0.37 -1.18 0.00 0.00 179.01 179.16 1jmv h GLN 100 N -0.31 1.23 -0.54 1.92 4.15 -0.64 -3.20 115.11 117.72 1jmv h GLN 100 Ca 0.01 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1jmv h GLN 100 Cb 0.47 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1jmv h GLN 100 CO 0.01 0.88 0.00 0.66 -1.93 0.00 0.00 178.83 178.45 1jmv n TYR 101 N -4.34 1.22 -3.90 3.99 4.02 -0.47 -4.99 117.16 112.69 1jmv n TYR 101 Ca 0.10 -0.63 -0.28 0.00 -0.01 0.00 0.00 57.90 57.08 1jmv n TYR 101 Cb 0.08 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.18 1jmv n TYR 101 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1jmv n ASP 102 N 0.79 -1.54 -4.78 7.72 8.00 -1.00 -4.95 116.55 120.79 1jmv n ASP 102 Ca 0.23 -1.02 -0.38 0.00 0.71 0.00 0.00 54.79 54.33 1jmv n ASP 102 Cb 0.81 -3.07 -0.06 0.00 -0.02 0.00 0.00 41.12 38.78 1jmv n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jmv s VAL 103 N -3.84 4.27 0.00 2.53 1.01 -0.93 -4.58 120.40 118.87 1jmv s VAL 103 Ca 0.12 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1jmv s VAL 103 Cb -0.05 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1jmv s VAL 103 CO 0.89 0.31 0.42 -0.90 0.00 0.00 0.00 175.10 175.82 1jmv n ASP 104 N 1.01 0.81 -3.68 3.32 5.68 0.02 -4.89 116.55 118.83 1jmv n ASP 104 Ca -0.01 -1.08 -0.14 0.00 -0.50 0.00 0.00 54.79 53.06 1jmv n ASP 104 Cb 0.49 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.34 1jmv n ASP 104 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1jmv s LEU 105 N -0.08 -0.14 -0.16 -2.12 2.96 -1.14 -3.82 118.68 114.18 1jmv s LEU 105 Ca 0.00 0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1jmv s LEU 105 Cb 0.00 0.66 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 1jmv s LEU 105 CO 0.00 -0.23 0.07 -0.22 -1.32 0.00 0.00 176.35 174.65 1jmv s LEU 106 N 2.18 3.90 -0.14 -0.68 2.96 -0.79 -0.98 118.68 125.12 1jmv s LEU 106 Ca -0.01 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.07 1jmv s LEU 106 Cb -0.12 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1jmv s LEU 106 CO -0.08 0.24 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.33 1jmv s VAL 107 N -0.01 2.66 0.21 1.68 1.01 0.31 -0.53 120.40 125.72 1jmv s VAL 107 Ca 0.06 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1jmv s VAL 107 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1jmv s VAL 107 CO 0.01 0.52 -0.01 0.42 0.00 0.00 0.00 175.10 176.04 1jmv s THR 108 N 0.65 0.94 0.00 3.92 -4.23 -0.25 -1.10 115.64 115.57 1jmv s THR 108 Ca -0.08 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1jmv s THR 108 Cb -0.16 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.43 1jmv s THR 108 CO 0.02 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1jmv n GLY 109 N -0.35 1.80 0.57 3.99 0.00 -1.26 -0.80 105.19 109.15 1jmv n GLY 109 Ca -0.06 -2.06 0.09 0.00 0.00 0.00 0.00 46.02 43.99 1jmv n GLY 109 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jmv n HIS 110 N -0.46 0.00 -1.65 1.61 8.25 -1.23 -4.60 115.22 117.14 1jmv n HIS 110 Ca 0.00 0.00 -0.58 0.00 -0.26 0.00 0.00 57.72 56.88 1jmv n HIS 110 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1jmv n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jmv n HIS 111 N 0.48 1.90 -0.14 4.41 -0.00 -1.26 -4.85 115.22 115.76 1jmv n HIS 111 Ca 0.09 0.59 0.02 0.00 -0.00 0.00 0.00 57.72 58.43 1jmv n HIS 111 Cb 0.42 -2.43 0.32 0.00 -0.00 0.00 0.00 29.99 28.29 1jmv n HIS 111 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1jmv h GLN 112 N 7.78 0.82 0.00 1.57 1.08 -2.00 -2.07 115.11 122.29 1jmv h GLN 112 Ca -0.41 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 56.69 1jmv h GLN 112 Cb 1.33 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1jmv h GLN 112 CO 0.98 0.54 -0.23 -0.44 -0.95 0.00 0.00 178.83 178.73 1jmv h ASP 113 N 0.84 0.00 -0.02 1.46 3.32 -1.99 0.23 116.42 120.27 1jmv h ASP 113 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1jmv h ASP 113 Cb -0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1jmv h ASP 113 CO -0.06 0.23 -0.01 0.15 -1.72 0.00 0.00 179.24 177.84 1jmv h PHE 114 N 0.00 0.04 -0.24 4.55 3.57 -1.75 -1.33 116.94 121.78 1jmv h PHE 114 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1jmv h PHE 114 Cb 0.42 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1jmv h PHE 114 CO 0.00 0.41 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.82 1jmv h TRP 115 N -0.34 0.44 -0.49 0.41 4.06 -1.22 -0.43 115.95 118.38 1jmv h TRP 115 Ca 0.00 -0.07 -0.08 0.00 2.06 0.00 0.00 58.89 60.80 1jmv h TRP 115 Cb 0.40 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.42 1jmv h TRP 115 CO 0.06 0.57 0.01 0.77 -3.56 0.00 0.00 178.44 176.29 1jmv h SER 116 N 0.38 0.84 -0.51 -3.49 0.02 -0.48 -2.03 113.55 108.28 1jmv h SER 116 Ca 0.07 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.64 1jmv h SER 116 Cb 0.53 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1jmv h SER 116 CO 0.03 0.94 0.05 0.50 -1.14 0.00 0.00 176.83 177.22 1jmv h LYS 117 N 0.72 0.91 -0.62 3.45 1.63 -0.80 0.29 116.57 122.16 1jmv h LYS 117 Ca 0.14 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1jmv h LYS 117 Cb 0.50 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.99 1jmv h LYS 117 CO 0.02 0.87 0.35 -0.07 -3.45 0.00 0.00 179.45 177.18 1jmv h LEU 118 N 0.86 0.75 0.18 5.20 3.38 -0.85 -1.45 115.31 123.38 1jmv h LEU 118 Ca 0.17 -0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.78 1jmv h LEU 118 Cb 0.43 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1jmv h LEU 118 CO 0.02 0.60 -1.36 0.24 0.09 0.00 0.00 178.44 178.02 1jmv h MET 119 N 0.86 0.47 0.00 1.13 2.86 -0.65 -3.32 114.93 116.27 1jmv h MET 119 Ca 0.22 -0.76 -0.18 0.00 -2.06 0.00 0.00 59.70 56.92 1jmv h MET 119 Cb 0.01 0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1jmv h MET 119 CO -0.04 1.36 -0.94 0.66 1.06 0.00 0.00 176.91 179.01 1jmv h SER 120 N 0.15 0.00 -0.17 1.22 4.64 -0.33 -3.39 113.55 115.67 1jmv h SER 120 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1jmv h SER 120 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1jmv h SER 120 CO 0.25 0.81 0.00 -1.20 -0.87 0.00 0.00 176.83 175.82 1jmv n SER 121 N -3.25 2.50 -4.60 4.97 7.64 -0.56 -4.96 113.62 115.37 1jmv n SER 121 Ca -0.02 -2.06 -0.41 0.00 1.01 0.00 0.00 58.87 57.39 1jmv n SER 121 Cb 0.88 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.88 1jmv n SER 121 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jmv s THR 122 N -1.10 4.88 0.03 0.44 2.01 -1.25 -4.18 115.64 116.47 1jmv s THR 122 Ca 0.13 0.95 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 1jmv s THR 122 Cb 0.07 -4.06 -0.24 0.00 0.01 0.00 0.00 72.50 68.29 1jmv s THR 122 CO 0.08 -0.19 1.13 0.03 -0.69 0.00 0.00 174.62 174.97 1jmv h ARG 123 N 8.18 0.54 -6.22 4.92 3.08 -1.94 -3.45 114.38 119.50 1jmv h ARG 123 Ca -0.26 -0.60 -0.57 0.00 0.07 0.00 0.00 59.98 58.62 1jmv h ARG 123 Cb 1.11 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 1jmv h ARG 123 CO 0.83 1.22 0.95 -1.14 -1.07 0.00 0.00 179.97 180.76 1jmv s GLN 124 N -3.20 4.11 0.27 0.04 0.74 -1.26 -4.92 119.66 115.44 1jmv s GLN 124 Ca -0.12 1.59 -0.01 0.00 0.05 0.00 0.00 55.36 56.88 1jmv s GLN 124 Cb 0.05 -3.83 0.47 0.00 1.10 0.00 0.00 33.01 30.80 1jmv s GLN 124 CO 0.87 -0.87 1.86 0.28 -0.55 0.00 0.00 175.29 176.88 1jmv h VAL 125 N 5.67 1.01 -0.55 1.34 2.07 -2.05 -1.65 116.25 122.08 1jmv h VAL 125 Ca -0.28 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jmv h VAL 125 Cb 1.11 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jmv h VAL 125 CO 0.99 0.20 0.00 0.23 0.02 0.00 0.00 177.57 179.01 1jmv n MET 126 N -4.56 4.66 -1.19 1.57 2.81 -1.26 -4.96 117.12 114.19 1jmv n MET 126 Ca 0.17 -2.98 -0.35 0.00 -1.81 0.00 0.00 57.70 52.74 1jmv n MET 126 Cb 0.26 -2.22 0.10 0.00 -0.71 0.00 0.00 33.22 30.66 1jmv n MET 126 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1jmv n ASN 127 N 0.61 0.06 -3.72 7.83 5.15 -0.62 -5.00 115.26 119.57 1jmv n ASN 127 Ca 0.26 0.59 -0.07 0.00 -0.60 0.00 0.00 54.58 54.76 1jmv n ASN 127 Cb 1.14 -1.38 -0.02 0.00 -0.53 0.00 0.00 39.78 38.99 1jmv n ASN 127 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1jmv s THR 128 N -2.00 0.00 -0.39 -0.44 -1.32 -1.26 -5.09 115.64 105.13 1jmv s THR 128 Ca 0.70 -0.64 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1jmv s THR 128 Cb -0.31 -1.75 0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1jmv s THR 128 CO 0.54 0.00 0.24 -0.63 -2.21 0.00 0.00 174.62 172.56 1jmv s ILE 129 N -3.60 4.75 -2.05 5.08 -1.09 -1.26 -4.81 121.20 118.22 1jmv s ILE 129 Ca 0.09 -0.85 0.12 0.00 -2.23 0.00 0.00 60.65 57.78 1jmv s ILE 129 Cb -0.03 -3.67 0.31 0.00 -1.58 0.00 0.00 42.46 37.49 1jmv s ILE 129 CO 0.01 -0.28 1.37 0.29 -1.23 0.00 0.00 174.94 175.10 1jmv n LYS 130 N 5.04 1.29 -4.24 2.79 5.02 -1.26 -4.85 118.16 121.95 1jmv n LYS 130 Ca -0.11 -0.44 -0.13 0.00 -2.02 0.00 0.00 58.31 55.60 1jmv n LYS 130 Cb 0.46 -1.21 -0.10 0.00 -0.02 0.00 0.00 35.03 34.15 1jmv n LYS 130 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1jmv s ILE 131 N -1.87 0.58 0.54 -0.18 -4.36 -1.26 -5.13 121.20 109.53 1jmv s ILE 131 Ca 0.19 -1.97 -0.20 0.00 -0.26 0.00 0.00 60.65 58.40 1jmv s ILE 131 Cb 0.09 -2.17 -0.07 0.00 1.25 0.00 0.00 42.46 41.57 1jmv s ILE 131 CO 0.15 -0.42 0.96 0.47 0.24 0.00 0.00 174.94 176.33 1jmv n ASP 132 N -0.25 0.85 -3.76 4.36 8.00 -1.25 -4.84 116.55 119.66 1jmv n ASP 132 Ca -0.06 0.88 -0.20 0.00 0.71 0.00 0.00 54.79 56.12 1jmv n ASP 132 Cb 0.64 -1.37 -0.17 0.00 -0.02 0.00 0.00 41.12 40.20 1jmv n ASP 132 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1jmv s MET 133 N -2.48 0.29 -0.24 -1.24 -2.45 -1.26 -1.88 119.30 110.04 1jmv s MET 133 Ca 0.71 0.17 -0.09 0.00 -1.25 0.00 0.00 55.69 55.23 1jmv s MET 133 Cb -0.46 -0.64 -0.04 0.00 1.25 0.00 0.00 34.83 34.94 1jmv s MET 133 CO 0.51 -0.24 0.13 -1.17 1.05 0.00 0.00 175.02 175.30 1jmv s LEU 134 N 1.64 3.92 -0.25 4.11 2.96 0.31 -4.97 118.68 126.40 1jmv s LEU 134 Ca -0.01 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1jmv s LEU 134 Cb -0.13 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1jmv s LEU 134 CO -0.03 0.04 0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 1jmv s VAL 135 N 1.18 4.00 -0.18 1.68 1.01 -1.26 -1.09 120.40 125.73 1jmv s VAL 135 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1jmv s VAL 135 Cb -0.14 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1jmv s VAL 135 CO 0.05 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1jmv s VAL 136 N 1.56 4.42 -2.00 2.92 1.01 0.02 -4.99 120.40 123.34 1jmv s VAL 136 Ca 0.06 -0.16 0.20 0.00 0.00 0.00 0.00 61.98 62.07 1jmv s VAL 136 Cb -0.15 -2.98 0.57 0.00 0.00 0.00 0.00 36.38 33.82 1jmv s VAL 136 CO 0.02 0.46 1.59 -0.81 0.00 0.00 0.00 175.10 176.35