#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vba n ASP 25 N 0.00 0.02 -4.80 1.08 5.75 -1.26 -5.11 116.55 112.24 1vba n ASP 25 Ca 0.00 -1.44 -0.33 0.00 -0.01 0.00 0.00 54.79 53.01 1vba n ASP 25 Cb 0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.01 1vba n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1vba s SER 26 N -0.44 5.80 0.72 -1.12 1.04 -1.26 -4.27 113.70 114.17 1vba s SER 26 Ca 0.00 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.18 1vba s SER 26 Cb 0.00 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1vba s SER 26 CO 0.00 -1.15 1.08 -0.76 0.98 0.00 0.00 173.24 173.39 1vba s LEU 27 N -4.34 3.16 0.41 2.42 1.43 0.05 -4.97 118.68 116.84 1vba s LEU 27 Ca 0.65 1.80 -0.26 0.00 -1.03 0.00 0.00 54.13 55.29 1vba s LEU 27 Cb -0.17 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 1vba s LEU 27 CO 0.34 -1.73 1.22 -0.81 0.23 0.00 0.00 176.35 175.60 1vba n PRO 28 N -3.10 1.82 -2.35 1.29 -0.04 -1.26 -4.64 135.00 126.72 1vba n PRO 28 Ca 0.09 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.84 1vba n PRO 28 Cb 0.53 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1vba n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vba s ASP 29 N -0.55 6.06 -0.04 3.54 1.01 -1.26 -4.66 116.67 120.76 1vba s ASP 29 Ca 0.61 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.71 1vba s ASP 29 Cb -0.53 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 40.79 1vba s ASP 29 CO 0.58 -0.98 1.05 -0.89 0.21 0.00 0.00 175.17 175.14 1vba s THR 30 N -1.76 4.65 0.26 -1.27 2.01 -0.74 -4.94 115.64 113.86 1vba s THR 30 Ca 0.68 1.91 -0.23 0.00 0.31 0.00 0.00 61.69 64.37 1vba s THR 30 Cb -0.23 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 67.96 1vba s THR 30 CO 0.27 0.07 0.82 -0.54 -0.69 0.00 0.00 174.62 174.55 1vba s LYS 31 N 1.60 4.40 0.09 4.92 -0.14 -1.26 -1.68 119.74 127.68 1vba s LYS 31 Ca 0.52 1.07 -0.31 0.00 -1.36 0.00 0.00 55.97 55.89 1vba s LYS 31 Cb -0.21 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.00 1vba s LYS 31 CO 0.23 0.35 1.48 0.00 -0.76 0.00 0.00 175.35 176.66 1vba s ALA 32 N -1.55 3.64 -0.02 5.17 0.00 -1.24 -4.43 121.76 123.33 1vba s ALA 32 Ca 0.46 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.57 1vba s ALA 32 Cb -0.18 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.35 1vba s ALA 32 CO 0.22 -0.82 -0.05 0.45 0.00 0.00 0.00 175.76 175.57 1vba s SER 33 N 1.56 0.78 0.00 0.00 0.15 -0.25 -4.94 113.70 111.01 1vba s SER 33 Ca 0.67 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1vba s SER 33 Cb -0.38 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1vba s SER 33 CO 0.30 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1vba n GLY 34 N 3.56 3.22 3.70 9.45 0.00 -1.26 -1.52 105.19 122.34 1vba n GLY 34 Ca -0.20 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 1vba n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vba n PRO 35 N -0.31 0.71 -4.25 1.61 -0.04 -1.26 -4.72 135.00 126.74 1vba n PRO 35 Ca 0.00 0.31 -0.17 0.00 -0.04 0.00 0.00 63.50 63.60 1vba n PRO 35 Cb 0.00 -2.47 -0.13 0.00 -0.04 0.00 0.00 33.50 30.86 1vba n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vba s ALA 36 N -1.70 0.77 -0.41 0.55 0.00 -1.26 -5.08 121.76 114.63 1vba s ALA 36 Ca 0.79 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1vba s ALA 36 Cb -0.34 -0.12 0.17 0.00 0.00 0.00 0.00 23.12 22.83 1vba s ALA 36 CO 0.45 0.13 0.38 -1.58 0.00 0.00 0.00 175.76 175.14 1vba s HIS 37 N -0.66 0.58 0.24 0.00 5.04 -1.26 -5.15 115.29 114.07 1vba s HIS 37 Ca -0.01 -1.89 -0.06 0.00 -1.54 0.00 0.00 55.06 51.56 1vba s HIS 37 Cb -0.06 -0.71 -0.02 0.00 0.04 0.00 0.00 32.58 31.83 1vba s HIS 37 CO 0.00 -0.90 0.33 -1.54 -2.34 0.00 0.00 174.74 170.30 1vba s SER 38 N 0.40 0.15 0.00 9.88 1.04 -1.26 -5.02 113.70 118.89 1vba s SER 38 Ca 0.29 -1.19 0.19 0.00 0.48 0.00 0.00 55.95 55.72 1vba s SER 38 Cb -0.01 0.51 0.87 0.00 0.10 0.00 0.00 66.02 67.48 1vba s SER 38 CO -0.14 -1.03 1.58 0.29 0.98 0.00 0.00 173.24 174.92 1vba n LYS 39 N -0.36 0.13 -3.01 4.02 5.02 -1.26 -4.72 118.16 117.99 1vba n LYS 39 Ca 0.00 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.03 1vba n LYS 39 Cb 0.64 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 1vba n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vba s GLU 40 N -2.79 4.11 -0.64 1.97 2.02 -1.26 -5.00 118.70 117.11 1vba s GLU 40 Ca 0.13 0.69 0.06 0.00 0.02 0.00 0.00 54.97 55.87 1vba s GLU 40 Cb 0.12 -3.66 0.22 0.00 0.10 0.00 0.00 34.13 30.91 1vba s GLU 40 CO 0.31 -0.49 0.64 0.28 0.02 0.00 0.00 175.26 176.02 1vba n VAL 41 N 5.26 1.87 -0.18 2.63 0.31 -1.26 -4.92 118.33 122.05 1vba n VAL 41 Ca 0.02 -5.00 0.14 0.00 -0.01 0.00 0.00 64.34 59.49 1vba n VAL 41 Cb 0.48 -2.11 0.47 0.00 -0.91 0.00 0.00 33.84 31.77 1vba n VAL 41 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1vba h PRO 42 N 4.60 0.48 -0.24 5.55 0.13 -1.95 -2.54 132.00 138.04 1vba h PRO 42 Ca 0.18 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1vba h PRO 42 Cb 0.71 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1vba h PRO 42 CO 0.77 0.32 0.14 0.00 -0.23 0.00 0.00 178.00 179.00 1vba h ALA 43 N 1.64 1.80 -2.56 -0.56 0.00 -1.91 -3.42 119.26 114.24 1vba h ALA 43 Ca 0.37 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.70 1vba h ALA 43 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1vba h ALA 43 CO -0.13 0.18 -0.11 -0.51 0.00 0.00 0.00 179.25 178.68 1vba s LEU 44 N -9.29 4.25 0.00 0.00 1.43 -0.96 -5.08 118.68 109.04 1vba s LEU 44 Ca -0.07 0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1vba s LEU 44 Cb 0.17 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1vba s LEU 44 CO 0.71 0.02 0.16 1.07 0.23 0.00 0.00 176.35 178.54 1vba n THR 45 N 0.34 0.00 -3.50 5.49 5.66 -1.26 -5.00 114.28 116.01 1vba n THR 45 Ca -0.03 -0.21 -0.29 0.00 -3.05 0.00 0.00 64.05 60.48 1vba n THR 45 Cb 0.52 0.20 -0.13 0.00 -1.55 0.00 0.00 70.33 69.37 1vba n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vba s ALA 46 N -1.23 0.79 -0.45 1.79 0.00 -1.26 -5.01 121.76 116.38 1vba s ALA 46 Ca 0.03 -1.53 0.16 0.00 0.00 0.00 0.00 51.96 50.62 1vba s ALA 46 Cb -0.01 -1.51 0.84 0.00 0.00 0.00 0.00 23.12 22.44 1vba s ALA 46 CO 0.02 -1.91 1.49 1.33 0.00 0.00 0.00 175.76 176.69 1vba n VAL 47 N 4.56 1.27 -0.05 0.00 0.24 -1.26 -2.21 118.33 120.87 1vba n VAL 47 Ca 0.04 0.62 0.14 0.00 -2.04 0.00 0.00 64.34 63.10 1vba n VAL 47 Cb 0.39 -1.60 0.55 0.00 -1.47 0.00 0.00 33.84 31.70 1vba n VAL 47 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1vba h GLU 48 N 0.00 0.30 -0.16 7.34 3.07 -1.95 -1.74 114.58 121.44 1vba h GLU 48 Ca 0.00 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1vba h GLU 48 Cb 0.04 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1vba h GLU 48 CO 0.00 0.20 0.37 1.79 -1.40 0.00 0.00 179.01 179.96 1vba h THR 49 N 0.30 0.16 0.00 1.13 1.35 -1.90 -3.44 112.91 110.52 1vba h THR 49 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1vba h THR 49 Cb 0.62 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1vba h THR 49 CO -0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1vba n GLY 50 N -1.33 0.62 3.79 5.82 0.00 -0.65 -5.07 105.19 108.36 1vba n GLY 50 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1vba n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vba s ALA 51 N -2.42 3.60 -0.12 4.61 0.00 -1.26 -5.10 121.76 121.07 1vba s ALA 51 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 1vba s ALA 51 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1vba s ALA 51 CO 0.00 0.75 0.45 0.99 0.00 0.00 0.00 175.76 177.95 1vba s THR 52 N -1.38 5.20 -0.07 0.00 2.01 -1.26 -4.66 115.64 115.48 1vba s THR 52 Ca 0.29 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 62.89 1vba s THR 52 Cb -0.12 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 1vba s THR 52 CO 0.22 0.34 1.83 0.21 -0.69 0.00 0.00 174.62 176.53 1vba s ASN 53 N 0.53 6.40 0.00 3.53 2.47 -1.26 -4.89 114.94 121.73 1vba s ASN 53 Ca 0.25 2.26 0.00 0.00 0.42 0.00 0.00 52.86 55.79 1vba s ASN 53 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1vba s ASN 53 CO 0.10 -1.14 1.12 -0.81 -3.72 0.00 0.00 177.10 172.65 1vba n PRO 54 N 7.55 0.60 -2.79 0.43 -0.04 -1.26 -4.93 135.00 134.56 1vba n PRO 54 Ca 0.20 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 1vba n PRO 54 Cb 0.43 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.63 1vba n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vba s LEU 55 N 0.00 3.89 0.18 1.53 1.43 -1.26 -5.08 118.68 119.37 1vba s LEU 55 Ca 0.00 1.55 0.10 0.00 -1.03 0.00 0.00 54.13 54.75 1vba s LEU 55 Cb 0.00 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1vba s LEU 55 CO 0.00 -0.38 -0.21 0.00 0.23 0.00 0.00 176.35 175.99 1vba s ALA 56 N -2.25 2.26 0.36 4.21 0.00 -1.26 -5.05 121.76 120.03 1vba s ALA 56 Ca 0.59 -1.56 0.16 0.00 0.00 0.00 0.00 51.96 51.15 1vba s ALA 56 Cb -0.09 -0.25 1.09 0.00 0.00 0.00 0.00 23.12 23.86 1vba s ALA 56 CO 0.19 0.33 1.70 -1.35 0.00 0.00 0.00 175.76 176.62 1vba h PRO 57 N 3.24 0.36 0.00 0.00 0.11 -1.98 0.03 132.00 133.76 1vba h PRO 57 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vba h PRO 57 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vba h PRO 57 CO 0.49 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1vba n SER 58 N -4.88 0.00 0.13 -2.05 3.41 -1.26 -1.22 113.62 107.75 1vba n SER 58 Ca 0.30 0.19 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1vba n SER 58 Cb 0.96 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.64 1vba n SER 58 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1vba h ASP 59 N 0.00 0.00 0.00 4.04 3.32 -1.39 -3.40 116.42 118.99 1vba h ASP 59 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vba h ASP 59 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1vba h ASP 59 CO 0.00 0.23 -0.10 0.35 -1.72 0.00 0.00 179.24 177.99 1vba n THR 60 N -2.95 0.00 -4.22 0.35 -2.24 -1.02 -4.72 114.28 99.47 1vba n THR 60 Ca -0.00 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1vba n THR 60 Cb 0.64 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 1vba n THR 60 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1vba s VAL 61 N -0.62 0.93 -0.01 2.28 -7.23 -0.36 -5.12 120.40 110.28 1vba s VAL 61 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 1vba s VAL 61 Cb 0.00 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 1vba s VAL 61 CO 0.00 -0.74 1.25 -1.10 -0.31 0.00 0.00 175.10 174.20 1vba s GLN 62 N -3.80 4.35 0.18 4.82 -0.21 -1.26 -4.27 119.66 119.46 1vba s GLN 62 Ca 0.16 1.77 0.10 0.00 0.02 0.00 0.00 55.36 57.42 1vba s GLN 62 Cb 0.04 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1vba s GLN 62 CO -0.01 -0.44 -0.18 0.95 -2.12 0.00 0.00 175.29 173.50 1vba s THR 63 N 2.00 2.74 0.57 -0.19 -4.23 -0.58 -4.94 115.64 111.01 1vba s THR 63 Ca 0.59 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 1vba s THR 63 Cb -0.28 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1vba s THR 63 CO 0.25 -0.08 0.80 0.00 -0.54 0.00 0.00 174.62 175.05 1vba s ARG 64 N -2.66 2.47 -0.28 3.99 1.70 -1.26 -1.09 118.95 121.83 1vba s ARG 64 Ca 0.22 -0.78 -0.25 0.00 -0.47 0.00 0.00 55.73 54.45 1vba s ARG 64 Cb -0.09 -2.46 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 1vba s ARG 64 CO 0.12 -0.79 0.86 -1.58 -1.08 0.00 0.00 175.30 172.83 1vba s HIS 65 N -2.81 3.25 -0.17 5.89 5.65 -1.26 -3.67 115.29 122.16 1vba s HIS 65 Ca 0.58 1.05 -0.01 0.00 0.25 0.00 0.00 55.06 56.92 1vba s HIS 65 Cb -0.10 -3.22 -0.01 0.00 -1.18 0.00 0.00 32.58 28.07 1vba s HIS 65 CO 0.39 -0.52 -0.10 0.08 -0.65 0.00 0.00 174.74 173.94 1vba s VAL 66 N 3.03 3.06 -0.74 0.89 1.01 -0.67 -4.95 120.40 122.02 1vba s VAL 66 Ca 0.36 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1vba s VAL 66 Cb -0.14 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1vba s VAL 66 CO 0.10 0.49 1.23 -0.69 0.00 0.00 0.00 175.10 176.23 1vba s VAL 67 N 0.90 3.85 0.08 2.92 1.01 -1.26 -1.79 120.40 126.11 1vba s VAL 67 Ca -0.02 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 1vba s VAL 67 Cb -0.15 -4.88 -0.06 0.00 0.00 0.00 0.00 36.38 31.28 1vba s VAL 67 CO -0.00 -1.79 1.26 -1.58 0.00 0.00 0.00 175.10 172.99 1vba s GLN 68 N 5.36 4.39 -0.00 2.72 2.00 -1.26 -4.94 119.66 127.93 1vba s GLN 68 Ca 0.33 1.87 0.05 0.00 -2.00 0.00 0.00 55.36 55.62 1vba s GLN 68 Cb -0.09 -3.31 -0.07 0.00 0.80 0.00 0.00 33.01 30.34 1vba s GLN 68 CO 0.12 -0.32 0.19 0.54 -0.50 0.00 0.00 175.29 175.33 1vba n ARG 69 N 3.93 3.33 -1.47 1.67 1.74 -1.26 -4.60 116.66 119.99 1vba n ARG 69 Ca 0.10 -0.02 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1vba n ARG 69 Cb 0.45 -0.90 0.08 0.00 -1.02 0.00 0.00 32.46 31.08 1vba n ARG 69 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1vba n ARG 70 N -1.34 0.70 -4.04 5.56 1.74 -1.26 -4.73 116.66 113.29 1vba n ARG 70 Ca 0.00 0.30 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 1vba n ARG 70 Cb 0.11 -2.34 -0.09 0.00 -1.02 0.00 0.00 32.46 29.12 1vba n ARG 70 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1vba s SER 71 N -1.57 0.31 -0.40 0.55 1.04 -1.26 -0.77 113.70 111.59 1vba s SER 71 Ca 0.77 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 56.27 1vba s SER 71 Cb -0.36 0.28 0.61 0.00 0.10 0.00 0.00 66.02 66.65 1vba s SER 71 CO 0.47 -0.70 1.83 0.54 0.98 0.00 0.00 173.24 176.36 1vba n ARG 72 N -0.02 2.16 -0.34 4.02 1.74 -1.26 -4.69 116.66 118.27 1vba n ARG 72 Ca -0.11 -2.72 0.07 0.00 -0.77 0.00 0.00 57.85 54.32 1vba n ARG 72 Cb 0.62 -2.07 0.23 0.00 -1.02 0.00 0.00 32.46 30.22 1vba n ARG 72 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1vba h SER 73 N 0.94 0.84 0.75 0.55 4.64 -1.96 -2.71 113.55 116.59 1vba h SER 73 Ca 0.57 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1vba h SER 73 Cb 2.68 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 64.66 1vba h SER 73 CO 0.99 0.44 -0.32 1.21 -0.87 0.00 0.00 176.83 178.29 1vba n GLU 74 N -4.67 0.04 -0.55 4.77 2.13 -1.26 -3.70 120.64 117.39 1vba n GLU 74 Ca 0.18 0.02 0.09 0.00 0.66 0.00 0.00 57.16 58.11 1vba n GLU 74 Cb 0.36 -1.53 0.34 0.00 0.27 0.00 0.00 31.44 30.87 1vba n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1vba n SER 75 N -1.59 4.52 -4.76 4.31 3.41 -1.02 -4.01 113.62 114.48 1vba n SER 75 Ca 0.06 -2.41 -0.36 0.00 -0.26 0.00 0.00 58.87 55.90 1vba n SER 75 Cb 0.35 -0.54 0.02 0.00 -0.26 0.00 0.00 64.21 63.78 1vba n SER 75 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1vba s THR 76 N -1.77 2.78 0.23 6.66 -4.23 -1.22 -4.78 115.64 113.30 1vba s THR 76 Ca 0.49 0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1vba s THR 76 Cb 0.31 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1vba s THR 76 CO 0.24 -0.10 1.68 0.40 -0.54 0.00 0.00 174.62 176.30 1vba h ILE 77 N 1.02 0.51 -0.06 2.99 1.08 -1.93 -0.68 117.51 120.44 1vba h ILE 77 Ca -0.50 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.92 1vba h ILE 77 Cb 1.29 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1vba h ILE 77 CO 0.56 0.04 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.90 1vba h GLU 78 N 0.19 -0.09 -0.68 2.37 4.57 -1.92 -2.43 114.58 116.59 1vba h GLU 78 Ca 0.36 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.51 1vba h GLU 78 Cb 0.60 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 1vba h GLU 78 CO -0.51 -0.06 0.27 0.77 -1.18 0.00 0.00 179.01 178.30 1vba h SER 79 N -0.10 0.92 -0.63 1.04 0.02 -1.54 0.25 113.55 113.50 1vba h SER 79 Ca 0.05 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1vba h SER 79 Cb 0.17 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1vba h SER 79 CO -0.12 0.82 0.38 0.15 -1.14 0.00 0.00 176.83 176.92 1vba h PHE 80 N 0.98 0.83 -0.00 3.45 3.57 -0.98 -2.90 116.94 121.89 1vba h PHE 80 Ca 0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1vba h PHE 80 Cb 0.19 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1vba h PHE 80 CO 0.02 0.57 -0.42 1.19 -2.23 0.00 0.00 178.31 177.43 1vba n PHE 81 N -4.59 0.00 -0.60 0.41 3.72 -0.93 -4.75 117.46 110.71 1vba n PHE 81 Ca 0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.31 1vba n PHE 81 Cb 0.05 -0.27 -0.05 0.00 -0.94 0.00 0.00 39.48 38.28 1vba n PHE 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vba n ALA 82 N -1.43 4.08 -3.44 4.37 0.00 0.83 -4.46 120.51 120.47 1vba n ALA 82 Ca 0.06 -1.40 -0.12 0.00 0.00 0.00 0.00 53.44 51.98 1vba n ALA 82 Cb 0.34 -2.64 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 1vba n ALA 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1vba s ARG 83 N 2.83 0.45 -0.26 0.00 6.06 -1.26 -5.02 118.95 121.74 1vba s ARG 83 Ca 0.35 0.65 -0.26 0.00 -2.50 0.00 0.00 55.73 53.97 1vba s ARG 83 Cb 0.12 0.14 0.00 0.00 0.06 0.00 0.00 34.95 35.28 1vba s ARG 83 CO -0.02 -0.09 0.92 0.20 -2.50 0.00 0.00 175.30 173.81 1vba s GLY 84 N 0.63 1.70 -0.09 8.12 0.00 -1.26 -4.55 107.32 111.87 1vba s GLY 84 Ca -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 1vba s GLY 84 CO -0.04 1.97 -0.01 0.00 0.00 0.00 0.00 173.10 175.02 1vba s ALA 85 N 3.08 3.21 -0.22 3.20 0.00 -0.06 -4.79 121.76 126.19 1vba s ALA 85 Ca 0.38 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1vba s ALA 85 Cb -0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1vba s ALA 85 CO 0.09 0.55 1.83 0.00 0.00 0.00 0.00 175.76 178.22 1vba n VAL 87 N 6.85 0.00 -3.63 0.00 0.24 -0.00 -4.86 118.33 116.94 1vba n VAL 87 Ca 0.22 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1vba n VAL 87 Cb 0.45 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.69 1vba n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vba s ALA 88 N -2.14 -1.87 -0.34 2.33 0.00 -1.23 -4.32 121.76 114.18 1vba s ALA 88 Ca 0.04 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1vba s ALA 88 Cb 0.09 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 22.08 1vba s ALA 88 CO 0.48 -0.30 0.07 0.42 0.00 0.00 0.00 175.76 176.43 1vba s ILE 89 N 0.17 2.78 -0.19 0.00 1.01 -1.26 -1.11 121.20 122.61 1vba s ILE 89 Ca 0.01 -1.93 -0.16 0.00 0.00 0.00 0.00 60.65 58.57 1vba s ILE 89 Cb -0.05 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1vba s ILE 89 CO -0.02 -0.44 0.40 -0.63 0.00 0.00 0.00 174.94 174.25 1vba s ILE 90 N 1.09 5.20 -0.19 2.92 1.01 -0.02 -4.92 121.20 126.30 1vba s ILE 90 Ca 0.04 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 1vba s ILE 90 Cb -0.21 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1vba s ILE 90 CO -0.05 0.26 0.06 -0.70 0.00 0.00 0.00 174.94 174.52 1vba s GLU 91 N 1.22 3.94 -0.03 2.79 2.12 -1.26 0.04 118.70 127.52 1vba s GLU 91 Ca 0.19 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.17 1vba s GLU 91 Cb -0.15 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.05 1vba s GLU 91 CO 0.08 0.23 -0.01 0.54 -0.54 0.00 0.00 175.26 175.55 1vba s VAL 92 N 0.49 0.26 0.17 3.70 0.11 -0.33 -4.71 120.40 120.09 1vba s VAL 92 Ca 0.03 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1vba s VAL 92 Cb -0.13 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.36 1vba s VAL 92 CO 0.01 0.15 0.37 -1.81 -3.33 0.00 0.00 175.10 170.49 1vba s ASP 93 N 0.80 6.41 -0.30 3.54 1.01 0.91 -1.44 116.67 127.60 1vba s ASP 93 Ca -0.09 0.43 0.02 0.00 0.71 0.00 0.00 52.55 53.63 1vba s ASP 93 Cb -0.12 -2.02 0.09 0.00 1.01 0.00 0.00 42.92 41.88 1vba s ASP 93 CO -0.01 -0.00 0.04 0.21 0.21 0.00 0.00 175.17 175.62 1vba s ASN 94 N -2.92 4.31 0.30 0.27 3.04 -0.48 -4.06 114.94 115.40 1vba s ASN 94 Ca 0.39 -1.75 -0.09 0.00 0.04 0.00 0.00 52.86 51.45 1vba s ASN 94 Cb -0.11 -1.27 0.01 0.00 -1.54 0.00 0.00 41.25 38.33 1vba s ASN 94 CO 0.28 -0.36 0.51 -1.83 -3.04 0.00 0.00 177.10 172.66 1vba s GLU 95 N 1.26 1.76 0.06 0.43 -1.05 -1.26 -2.25 118.70 117.64 1vba s GLU 95 Ca 0.06 -1.46 -0.30 0.00 -0.15 0.00 0.00 54.97 53.12 1vba s GLU 95 Cb -0.18 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 33.89 1vba s GLU 95 CO -0.13 -0.74 1.89 -1.14 0.95 0.00 0.00 175.26 176.08 1vba s GLN 96 N -3.46 4.15 -0.55 -4.83 0.74 -1.26 -4.65 119.66 109.79 1vba s GLN 96 Ca 0.25 2.56 -0.26 0.00 0.05 0.00 0.00 55.36 57.96 1vba s GLN 96 Cb -0.01 -3.95 -0.08 0.00 1.10 0.00 0.00 33.01 30.07 1vba s GLN 96 CO 0.13 -0.90 2.42 -2.14 -0.55 0.00 0.00 175.29 174.25 1vba s PRO 97 N 3.81 1.98 0.62 1.67 0.02 -1.26 -4.96 135.00 136.88 1vba s PRO 97 Ca 0.84 1.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.04 1vba s PRO 97 Cb -0.43 -4.63 0.13 0.00 0.02 0.00 0.00 34.50 29.59 1vba s PRO 97 CO 0.39 -3.55 0.84 0.25 -0.33 0.00 0.00 177.00 174.60 1vba n THR 98 N 8.17 0.00 -0.38 0.99 -2.24 -1.26 -5.03 114.28 114.54 1vba n THR 98 Ca 0.39 -1.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1vba n THR 98 Cb 0.52 -1.24 0.31 0.00 -2.10 0.00 0.00 70.33 67.83 1vba n THR 98 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1vba n THR 99 N -2.82 1.86 -4.63 4.28 5.66 -1.26 -4.94 114.28 112.44 1vba n THR 99 Ca 0.12 -1.05 -0.28 0.00 -3.05 0.00 0.00 64.05 59.79 1vba n THR 99 Cb 0.44 -0.13 -0.11 0.00 -1.55 0.00 0.00 70.33 68.99 1vba n THR 99 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vba s ARG 100 N -2.10 1.97 -0.10 1.09 3.03 -1.26 -5.07 118.95 116.51 1vba s ARG 100 Ca 0.43 -2.13 -0.34 0.00 2.03 0.00 0.00 55.73 55.73 1vba s ARG 100 Cb 0.30 -1.63 -0.12 0.00 -1.03 0.00 0.00 34.95 32.48 1vba s ARG 100 CO 0.17 -0.07 1.90 0.00 -1.13 0.00 0.00 175.30 176.17 1vba n ALA 101 N -0.99 0.90 -4.54 7.88 0.00 -1.26 -4.97 120.51 117.53 1vba n ALA 101 Ca -0.06 0.27 -0.28 0.00 0.00 0.00 0.00 53.44 53.37 1vba n ALA 101 Cb 0.67 -2.51 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1vba n ALA 101 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vba n GLN 102 N 6.76 0.68 -2.19 0.00 6.02 -1.26 -5.08 117.38 122.30 1vba n GLN 102 Ca 0.23 -3.40 -0.27 0.00 -0.01 0.00 0.00 57.00 53.55 1vba n GLN 102 Cb 0.30 1.48 0.02 0.00 1.02 0.00 0.00 30.24 33.05 1vba n GLN 102 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1vba n LYS 103 N -1.01 3.40 0.18 -1.09 5.02 -1.26 -4.79 118.16 118.62 1vba n LYS 103 Ca -0.11 -4.23 0.13 0.00 -2.02 0.00 0.00 58.31 52.08 1vba n LYS 103 Cb 0.60 -2.27 0.62 0.00 -0.02 0.00 0.00 35.03 33.97 1vba n LYS 103 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vba h LEU 104 N 2.43 0.00 -7.37 -0.35 3.38 -1.96 0.26 115.31 111.70 1vba h LEU 104 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 1vba h LEU 104 Cb 1.07 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 1vba h LEU 104 CO 0.91 0.00 -0.10 0.72 0.09 0.00 0.00 178.44 180.06 1vba s PHE 105 N -3.53 -0.27 0.06 1.13 -0.71 -1.26 -4.13 117.98 109.26 1vba s PHE 105 Ca 0.00 0.25 0.02 0.00 -1.04 0.00 0.00 56.93 56.16 1vba s PHE 105 Cb 0.08 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1vba s PHE 105 CO 0.34 -0.57 -0.07 0.00 -1.34 0.00 0.00 175.22 173.59 1vba s ALA 106 N -2.40 0.69 -0.02 1.99 0.00 -0.26 -4.98 121.76 116.79 1vba s ALA 106 Ca -0.06 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1vba s ALA 106 Cb -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1vba s ALA 106 CO -0.02 -0.13 -0.17 -1.64 0.00 0.00 0.00 175.76 173.80 1vba s MET 107 N -2.55 1.47 -0.12 0.00 -1.94 -1.26 -0.56 119.30 114.33 1vba s MET 107 Ca -0.01 -0.60 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 1vba s MET 107 Cb -0.03 -1.38 0.01 0.00 2.01 0.00 0.00 34.83 35.44 1vba s MET 107 CO -0.02 0.33 -0.18 -0.46 -0.01 0.00 0.00 175.02 174.68 1vba s TRP 108 N -0.29 2.24 -0.04 -0.03 -0.00 0.01 -4.95 118.94 115.89 1vba s TRP 108 Ca 0.04 -1.09 -0.30 0.00 -0.00 0.00 0.00 56.10 54.75 1vba s TRP 108 Cb -0.08 -1.58 -0.05 0.00 -0.00 0.00 0.00 33.47 31.77 1vba s TRP 108 CO -0.00 -0.53 1.42 1.03 -0.00 0.00 0.00 176.95 178.87 1vba s ARG 109 N 0.91 4.26 -0.06 5.86 1.81 -1.26 -0.58 118.95 129.89 1vba s ARG 109 Ca -0.07 1.94 -0.30 0.00 -1.72 0.00 0.00 55.73 55.58 1vba s ARG 109 Cb -0.15 -3.69 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 1vba s ARG 109 CO -0.02 -0.65 1.61 0.42 -0.68 0.00 0.00 175.30 175.99 1vba s ILE 110 N 2.90 3.63 0.12 1.52 1.01 -0.82 -4.95 121.20 124.61 1vba s ILE 110 Ca 0.64 0.79 -0.23 0.00 0.00 0.00 0.00 60.65 61.84 1vba s ILE 110 Cb -0.30 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.73 1vba s ILE 110 CO 0.25 -0.06 0.57 0.28 0.00 0.00 0.00 174.94 175.98 1vba s THR 111 N 3.87 0.01 -2.02 2.92 -1.32 -1.26 -4.68 115.64 113.16 1vba s THR 111 Ca 0.71 -0.10 0.18 0.00 -1.21 0.00 0.00 61.69 61.27 1vba s THR 111 Cb -0.32 -1.02 0.50 0.00 -1.51 0.00 0.00 72.50 70.14 1vba s THR 111 CO 0.28 -0.06 1.42 0.00 -2.21 0.00 0.00 174.62 174.06 1vba n TYR 112 N -0.13 0.74 0.70 9.09 0.18 -1.26 -4.59 117.16 121.89 1vba n TYR 112 Ca -0.17 -0.37 0.12 0.00 1.88 0.00 0.00 57.90 59.36 1vba n TYR 112 Cb 0.63 0.00 0.21 0.00 -0.38 0.00 0.00 39.34 39.80 1vba n TYR 112 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1vba n LYS 113 N 1.15 2.33 0.00 -3.48 5.02 -1.26 -4.10 118.16 117.82 1vba n LYS 113 Ca 0.19 -1.98 0.13 0.00 -2.02 0.00 0.00 58.31 54.63 1vba n LYS 113 Cb 0.48 -1.48 0.49 0.00 -0.02 0.00 0.00 35.03 34.49 1vba n LYS 113 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1vba n ASP 114 N 1.27 0.65 -4.37 4.39 8.00 -1.26 -4.86 116.55 120.36 1vba n ASP 114 Ca 0.17 -0.59 -0.21 0.00 0.71 0.00 0.00 54.79 54.88 1vba n ASP 114 Cb 0.57 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.58 1vba n ASP 114 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1vba s THR 115 N -2.57 1.93 -0.17 -3.53 2.01 -1.26 -5.00 115.64 107.05 1vba s THR 115 Ca 0.24 -2.17 0.10 0.00 0.31 0.00 0.00 61.69 60.17 1vba s THR 115 Cb 0.19 -2.05 -0.18 0.00 0.01 0.00 0.00 72.50 70.48 1vba s THR 115 CO 0.52 -0.47 -0.02 1.33 -0.69 0.00 0.00 174.62 175.29 1vba n VAL 116 N -0.24 1.12 0.47 3.82 0.24 -1.26 -4.49 118.33 117.99 1vba n VAL 116 Ca -0.09 -0.60 -0.20 0.00 -2.04 0.00 0.00 64.34 61.41 1vba n VAL 116 Cb 0.59 -0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 32.07 1vba n VAL 116 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1vba h GLN 117 N 0.00 -1.18 -0.72 7.34 4.20 -1.93 -1.34 115.11 121.48 1vba h GLN 117 Ca -0.44 0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 1vba h GLN 117 Cb 1.89 0.27 -0.03 0.00 0.30 0.00 0.00 27.48 29.91 1vba h GLN 117 CO -0.01 -0.79 0.24 1.25 -0.67 0.00 0.00 178.83 178.86 1vba h LEU 118 N -1.23 1.02 -0.45 1.46 5.85 -1.89 -2.73 115.31 117.34 1vba h LEU 118 Ca -0.12 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1vba h LEU 118 Cb 0.95 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.63 1vba h LEU 118 CO 0.18 0.93 -0.09 -0.09 -0.34 0.00 0.00 178.44 179.03 1vba h ARG 119 N 1.06 0.02 -0.88 1.25 2.43 -1.68 -0.30 114.38 116.27 1vba h ARG 119 Ca 0.24 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1vba h ARG 119 Cb 0.27 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1vba h ARG 119 CO -0.01 0.01 0.50 -0.09 -1.51 0.00 0.00 179.97 178.87 1vba h ARG 120 N 0.02 1.22 -0.08 0.20 2.43 -1.03 -0.98 114.38 116.14 1vba h ARG 120 Ca 0.22 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1vba h ARG 120 Cb 0.33 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1vba h ARG 120 CO -0.45 0.88 0.02 0.87 -1.51 0.00 0.00 179.97 179.77 1vba h LYS 121 N 1.22 0.14 -0.23 0.20 1.57 -1.06 -2.97 116.57 115.44 1vba h LYS 121 Ca 0.31 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1vba h LYS 121 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1vba h LYS 121 CO -0.05 0.35 0.15 -0.07 -0.57 0.00 0.00 179.45 179.26 1vba h LEU 122 N -0.09 0.25 -0.05 2.94 3.38 -0.84 -2.50 115.31 118.40 1vba h LEU 122 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1vba h LEU 122 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vba h LEU 122 CO 0.00 0.18 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 1vba n GLU 123 N -4.50 1.03 0.01 1.13 1.02 -0.39 -3.02 120.64 115.92 1vba n GLU 123 Ca 0.00 -0.05 0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1vba n GLU 123 Cb 0.08 -1.44 0.13 0.00 -0.02 0.00 0.00 31.44 30.20 1vba n GLU 123 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1vba n PHE 124 N -0.88 0.06 -4.31 -0.32 3.01 -0.94 -4.62 117.46 109.47 1vba n PHE 124 Ca 0.21 0.03 -0.21 0.00 1.01 0.00 0.00 57.45 58.49 1vba n PHE 124 Cb 0.11 -0.55 -0.13 0.00 -0.01 0.00 0.00 39.48 38.90 1vba n PHE 124 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1vba s PHE 125 N -3.04 1.46 -0.06 1.38 0.08 -1.17 0.34 117.98 116.97 1vba s PHE 125 Ca 0.02 -0.41 -0.24 0.00 0.12 0.00 0.00 56.93 56.42 1vba s PHE 125 Cb 0.03 -0.83 -0.28 0.00 -0.57 0.00 0.00 43.02 41.37 1vba s PHE 125 CO 0.09 0.10 0.91 1.15 -0.10 0.00 0.00 175.22 177.37 1vba h THR 126 N 4.29 1.57 -4.32 0.64 2.02 0.30 -3.44 112.91 113.98 1vba h THR 126 Ca -0.42 -2.36 -0.66 0.00 0.77 0.00 0.00 66.41 63.74 1vba h THR 126 Cb 1.18 3.11 -0.27 0.00 -1.74 0.00 0.00 68.15 70.44 1vba h THR 126 CO 0.41 0.65 -0.87 -0.31 0.37 0.00 0.00 175.52 175.78 1vba s TYR 127 N -2.58 2.17 0.15 3.16 2.02 -0.92 -0.49 117.35 120.86 1vba s TYR 127 Ca -0.15 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1vba s TYR 127 Cb 0.00 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1vba s TYR 127 CO 0.79 0.09 0.03 -1.54 -1.57 0.00 0.00 175.55 173.34 1vba s SER 128 N -1.10 0.74 -0.17 2.29 1.04 -0.54 -0.70 113.70 115.26 1vba s SER 128 Ca 0.10 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.28 1vba s SER 128 Cb -0.10 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.31 1vba s SER 128 CO 0.01 -0.65 0.35 -0.60 0.98 0.00 0.00 173.24 173.33 1vba s ARG 129 N -3.98 0.25 0.12 4.02 3.52 0.41 -0.18 118.95 123.10 1vba s ARG 129 Ca 0.24 0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 56.50 1vba s ARG 129 Cb 0.07 0.17 0.08 0.00 -1.56 0.00 0.00 34.95 33.71 1vba s ARG 129 CO 0.03 -0.26 0.72 -0.59 -0.81 0.00 0.00 175.30 174.38 1vba s PHE 130 N 2.48 -0.43 0.39 5.12 -0.12 -1.26 -0.72 117.98 123.44 1vba s PHE 130 Ca -0.01 0.22 -0.10 0.00 -0.05 0.00 0.00 56.93 56.99 1vba s PHE 130 Cb -0.12 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 1vba s PHE 130 CO -0.11 -0.78 0.75 -0.51 -0.05 0.00 0.00 175.22 174.52 1vba s ASP 131 N -2.69 6.53 -0.05 1.98 1.01 -0.12 -3.81 116.67 119.53 1vba s ASP 131 Ca 0.04 1.11 0.05 0.00 0.71 0.00 0.00 52.55 54.45 1vba s ASP 131 Cb -0.01 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1vba s ASP 131 CO -0.09 -0.37 -0.20 -0.32 0.21 0.00 0.00 175.17 174.40 1vba s MET 132 N -3.76 2.11 -0.23 8.23 1.75 -0.13 -0.45 119.30 126.82 1vba s MET 132 Ca 0.51 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 54.18 1vba s MET 132 Cb -0.10 -1.79 -0.03 0.00 2.84 0.00 0.00 34.83 35.75 1vba s MET 132 CO 0.30 0.27 0.04 -2.00 -0.65 0.00 0.00 175.02 172.98 1vba s GLU 133 N 0.04 3.65 -0.23 4.11 2.12 0.40 -0.58 118.70 128.20 1vba s GLU 133 Ca -0.06 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 1vba s GLU 133 Cb -0.13 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1vba s GLU 133 CO 0.03 -0.09 0.01 -0.06 -0.54 0.00 0.00 175.26 174.61 1vba s PHE 134 N 1.32 3.02 -0.10 5.30 0.40 -0.11 -1.09 117.98 126.74 1vba s PHE 134 Ca 0.05 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 1vba s PHE 134 Cb -0.15 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 1vba s PHE 134 CO 0.02 -0.42 -0.17 0.99 0.70 0.00 0.00 175.22 176.34 1vba s THR 135 N 1.47 2.71 -0.30 0.64 2.01 -0.18 -1.49 115.64 120.50 1vba s THR 135 Ca 0.05 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 1vba s THR 135 Cb -0.15 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.31 1vba s THR 135 CO 0.00 0.55 0.05 -0.36 -0.69 0.00 0.00 174.62 174.17 1vba s PHE 136 N 0.08 3.20 -0.30 4.92 0.40 0.70 -0.91 117.98 126.07 1vba s PHE 136 Ca -0.08 -1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 54.68 1vba s PHE 136 Cb -0.15 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1vba s PHE 136 CO 0.05 -0.71 0.29 0.08 0.70 0.00 0.00 175.22 175.63 1vba s VAL 137 N 1.38 5.23 -0.22 -0.44 1.01 0.08 -2.51 120.40 124.93 1vba s VAL 137 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1vba s VAL 137 Cb -0.19 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1vba s VAL 137 CO 0.01 0.10 -0.03 -0.69 0.00 0.00 0.00 175.10 174.48 1vba s VAL 138 N 1.91 3.43 0.08 2.92 1.01 -1.26 -0.55 120.40 127.94 1vba s VAL 138 Ca 0.10 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.68 1vba s VAL 138 Cb -0.16 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1vba s VAL 138 CO 0.11 0.41 -0.23 0.42 0.00 0.00 0.00 175.10 175.81 1vba s THR 139 N 1.49 1.87 0.07 3.92 -4.23 -0.63 -4.80 115.64 113.33 1vba s THR 139 Ca 0.06 -1.47 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1vba s THR 139 Cb -0.14 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1vba s THR 139 CO -0.03 0.11 0.06 0.00 -0.54 0.00 0.00 174.62 174.21 1vba s ALA 140 N -0.99 0.28 0.21 3.99 0.00 -1.26 -0.67 121.76 123.32 1vba s ALA 140 Ca 0.09 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1vba s ALA 140 Cb -0.10 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1vba s ALA 140 CO 0.04 -0.43 0.43 0.54 0.00 0.00 0.00 175.76 176.33 1vba s ASN 141 N -2.91 -0.08 -0.09 0.00 4.22 -0.50 -5.01 114.94 110.57 1vba s ASN 141 Ca 0.08 -0.84 -0.24 0.00 -2.14 0.00 0.00 52.86 49.71 1vba s ASN 141 Cb 0.07 0.54 -0.03 0.00 1.28 0.00 0.00 41.25 43.11 1vba s ASN 141 CO -0.09 -1.05 0.74 -0.36 -2.04 0.00 0.00 177.10 174.29 1vba s PHE 142 N -3.98 3.54 0.02 1.54 0.08 -1.26 -1.60 117.98 116.32 1vba s PHE 142 Ca 0.19 1.26 -0.21 0.00 0.12 0.00 0.00 56.93 58.28 1vba s PHE 142 Cb 0.01 -2.86 -0.16 0.00 -0.57 0.00 0.00 43.02 39.43 1vba s PHE 142 CO 0.04 0.00 1.31 1.15 -0.10 0.00 0.00 175.22 177.62 1vba h THR 143 N 4.87 1.37 -3.83 0.64 2.02 -1.86 -3.47 112.91 112.64 1vba h THR 143 Ca -0.38 -1.34 -0.68 0.00 0.77 0.00 0.00 66.41 64.78 1vba h THR 143 Cb 1.18 1.99 -0.20 0.00 -1.74 0.00 0.00 68.15 69.38 1vba h THR 143 CO 0.77 0.39 -0.77 0.20 0.37 0.00 0.00 175.52 176.48 1vba s ASN 144 N -6.09 4.09 0.28 4.18 0.01 -1.26 -5.03 114.94 111.12 1vba s ASN 144 Ca -0.14 -0.34 0.06 0.00 -0.71 0.00 0.00 52.86 51.72 1vba s ASN 144 Cb 0.04 -0.77 0.77 0.00 0.41 0.00 0.00 41.25 41.70 1vba s ASN 144 CO 0.74 0.26 1.33 0.00 -1.51 0.00 0.00 177.10 177.92 1vba n ALA 145 N 1.49 0.54 -3.33 0.60 0.00 -1.26 -4.65 120.51 113.89 1vba n ALA 145 Ca -0.16 0.90 0.03 0.00 0.00 0.00 0.00 53.44 54.21 1vba n ALA 145 Cb 0.52 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 1vba n ALA 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1vba s ASN 146 N -4.91 -0.10 -0.39 0.00 2.47 -1.26 -5.05 114.94 105.71 1vba s ASN 146 Ca -0.10 0.14 0.11 0.00 0.42 0.00 0.00 52.86 53.43 1vba s ASN 146 Cb 0.26 1.09 0.36 0.00 -1.45 0.00 0.00 41.25 41.51 1vba s ASN 146 CO 0.66 -0.02 0.92 0.59 -3.72 0.00 0.00 177.10 175.53 1vba n ASN 147 N 4.14 -0.21 0.00 -4.21 4.13 -1.26 -5.10 115.26 112.75 1vba n ASN 147 Ca -0.10 -3.13 0.00 0.00 1.68 0.00 0.00 54.58 53.03 1vba n ASN 147 Cb 0.56 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 39.05 1vba n ASN 147 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vba n GLY 148 N 0.19 -0.12 0.00 7.41 0.00 -1.26 -3.76 105.19 107.64 1vba n GLY 148 Ca 0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1vba n GLY 148 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vba n HIS 149 N 0.00 0.00 -4.38 1.61 -0.00 -1.26 -4.90 115.22 106.29 1vba n HIS 149 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1vba n HIS 149 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 1vba n HIS 149 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1vba s ALA 150 N -2.00 0.92 0.64 -1.41 0.00 -1.26 -4.71 121.76 113.94 1vba s ALA 150 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1vba s ALA 150 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1vba s ALA 150 CO 0.00 0.09 1.07 -0.51 0.00 0.00 0.00 175.76 176.41 1vba s LEU 151 N 0.55 3.37 0.13 0.00 1.43 -1.26 -4.93 118.68 117.97 1vba s LEU 151 Ca -0.09 1.83 -0.35 0.00 -1.03 0.00 0.00 54.13 54.49 1vba s LEU 151 Cb -0.13 -4.53 -0.15 0.00 0.03 0.00 0.00 46.19 41.41 1vba s LEU 151 CO 0.01 -1.40 1.46 -3.20 0.23 0.00 0.00 176.35 173.46 1vba n ASN 152 N -2.43 2.40 -4.82 2.29 5.15 -1.26 -4.96 115.26 111.63 1vba n ASN 152 Ca 0.09 1.10 -0.38 0.00 -0.60 0.00 0.00 54.58 54.79 1vba n ASN 152 Cb 0.53 -1.31 -0.06 0.00 -0.53 0.00 0.00 39.78 38.40 1vba n ASN 152 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1vba s GLN 153 N 0.69 4.03 -0.19 1.20 -0.21 -1.26 -4.95 119.66 118.98 1vba s GLN 153 Ca 0.81 0.49 -0.07 0.00 0.02 0.00 0.00 55.36 56.61 1vba s GLN 153 Cb -0.81 -3.25 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 1vba s GLN 153 CO 0.42 0.62 0.06 0.08 -2.12 0.00 0.00 175.29 174.35 1vba s VAL 154 N -0.90 4.70 -0.11 1.09 1.01 -1.26 -1.15 120.40 123.78 1vba s VAL 154 Ca 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.13 1vba s VAL 154 Cb -0.17 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1vba s VAL 154 CO 0.14 0.45 0.04 -0.31 0.00 0.00 0.00 175.10 175.42 1vba s TYR 155 N 0.52 3.26 -0.20 5.22 1.51 0.74 -0.44 117.35 127.96 1vba s TYR 155 Ca 0.03 0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1vba s TYR 155 Cb -0.13 -1.87 -0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1vba s TYR 155 CO 0.01 0.47 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.73 1vba s GLN 156 N -0.70 3.42 -0.42 -0.62 0.74 0.06 -0.60 119.66 121.53 1vba s GLN 156 Ca 0.12 -0.62 -0.07 0.00 0.05 0.00 0.00 55.36 54.84 1vba s GLN 156 Cb -0.12 -2.96 0.09 0.00 1.10 0.00 0.00 33.01 31.12 1vba s GLN 156 CO 0.02 -0.10 0.24 0.42 -0.55 0.00 0.00 175.29 175.33 1vba s ILE 157 N 1.22 3.92 -0.17 -2.34 1.01 -0.03 -1.49 121.20 123.32 1vba s ILE 157 Ca 0.03 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 58.99 1vba s ILE 157 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1vba s ILE 157 CO -0.01 -0.57 0.07 -0.32 0.00 0.00 0.00 174.94 174.11 1vba s MET 158 N 1.34 3.90 -0.16 2.79 1.75 0.39 -0.45 119.30 128.85 1vba s MET 158 Ca 0.04 -0.33 -0.21 0.00 -1.25 0.00 0.00 55.69 53.94 1vba s MET 158 Cb -0.23 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.21 1vba s MET 158 CO -0.00 0.33 0.65 -0.47 -0.65 0.00 0.00 175.02 174.88 1vba s TYR 159 N 0.21 3.43 -0.40 4.11 5.04 -0.17 -0.32 117.35 129.25 1vba s TYR 159 Ca 0.04 1.01 -0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1vba s TYR 159 Cb -0.12 -2.80 0.11 0.00 0.35 0.00 0.00 41.96 39.50 1vba s TYR 159 CO 0.00 -0.10 0.20 0.42 -1.34 0.00 0.00 175.55 174.73 1vba s ILE 160 N 1.62 3.29 0.54 3.14 1.01 0.20 -4.24 121.20 126.76 1vba s ILE 160 Ca 0.31 -2.02 -0.19 0.00 0.00 0.00 0.00 60.65 58.75 1vba s ILE 160 Cb -0.16 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1vba s ILE 160 CO 0.12 -0.67 1.09 -2.16 0.00 0.00 0.00 174.94 173.32 1vba s PRO 161 N 1.15 3.47 -0.01 2.79 0.04 -1.26 -1.41 135.00 139.77 1vba s PRO 161 Ca 0.08 1.46 -0.36 0.00 0.04 0.00 0.00 61.00 62.21 1vba s PRO 161 Cb -0.23 -2.04 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 1vba s PRO 161 CO -0.04 -0.72 1.60 -2.30 0.04 0.00 0.00 177.00 175.58 1vba n PRO 162 N -1.33 1.59 0.00 0.56 -0.02 -1.26 -2.39 135.00 132.14 1vba n PRO 162 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1vba n PRO 162 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1vba n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vba n GLY 163 N 3.49 2.55 3.76 -1.23 0.00 -1.26 -5.07 105.19 107.43 1vba n GLY 163 Ca 0.21 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1vba n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vba s ALA 164 N -0.42 2.81 -0.10 4.61 0.00 -1.01 -4.94 121.76 122.70 1vba s ALA 164 Ca 0.00 1.15 -0.36 0.00 0.00 0.00 0.00 51.96 52.74 1vba s ALA 164 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.49 1vba s ALA 164 CO 0.00 -1.11 1.75 -0.35 0.00 0.00 0.00 175.76 176.04 1vba n PRO 165 N -0.98 1.76 -3.09 0.00 -0.04 -1.26 -4.96 135.00 126.42 1vba n PRO 165 Ca 0.10 0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 63.88 1vba n PRO 165 Cb 0.47 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 1vba n PRO 165 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1vba s THR 166 N 3.14 4.70 0.31 0.52 -4.23 -1.26 -4.94 115.64 113.88 1vba s THR 166 Ca 0.92 0.89 -0.29 0.00 -1.18 0.00 0.00 61.69 62.03 1vba s THR 166 Cb -0.83 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 69.27 1vba s THR 166 CO 0.54 -0.24 1.35 -2.16 -0.54 0.00 0.00 174.62 173.57 1vba s PRO 167 N -3.13 4.31 -0.03 3.99 0.04 -1.26 -4.93 135.00 134.00 1vba s PRO 167 Ca 0.54 2.26 0.21 0.00 0.04 0.00 0.00 61.00 64.05 1vba s PRO 167 Cb -0.10 -3.07 -0.32 0.00 0.04 0.00 0.00 34.50 31.05 1vba s PRO 167 CO 0.20 -0.27 0.50 1.63 0.04 0.00 0.00 177.00 179.10 1vba n LYS 168 N 1.14 0.60 -3.99 4.56 4.76 -1.26 -5.03 118.16 118.94 1vba n LYS 168 Ca 0.02 -0.17 -0.10 0.00 -2.87 0.00 0.00 58.31 55.19 1vba n LYS 168 Cb 0.41 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.99 1vba n LYS 168 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1vba s SER 169 N -4.29 0.31 0.52 4.39 0.15 -1.26 -5.06 113.70 108.46 1vba s SER 169 Ca -0.06 -0.49 0.24 0.00 0.70 0.00 0.00 55.95 56.34 1vba s SER 169 Cb 0.14 0.09 1.40 0.00 -1.71 0.00 0.00 66.02 65.94 1vba s SER 169 CO 0.88 -0.28 2.10 4.11 1.20 0.00 0.00 173.24 181.25 1vba h TRP 170 N 4.69 0.00 -0.69 3.44 5.08 -1.96 -3.14 115.95 123.38 1vba h TRP 170 Ca -0.32 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.20 1vba h TRP 170 Cb 1.21 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.95 1vba h TRP 170 CO 0.65 0.10 -0.92 -3.47 -1.28 0.00 0.00 178.44 173.52 1vba n ASP 171 N -3.93 3.79 -3.67 0.11 2.03 -1.26 -4.97 116.55 108.65 1vba n ASP 171 Ca -0.02 -3.18 -0.23 0.00 0.52 0.00 0.00 54.79 51.87 1vba n ASP 171 Cb 0.19 -0.39 0.15 0.00 -0.72 0.00 0.00 41.12 40.36 1vba n ASP 171 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1vba n ASP 172 N -0.65 0.29 0.27 1.67 5.75 -1.19 -4.97 116.55 117.72 1vba n ASP 172 Ca 0.31 -1.51 0.13 0.00 -0.01 0.00 0.00 54.79 53.72 1vba n ASP 172 Cb 0.90 -0.78 0.78 0.00 -1.03 0.00 0.00 41.12 41.00 1vba n ASP 172 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1vba h TYR 173 N -1.42 0.00 -0.15 2.11 -0.00 -1.98 -3.01 116.97 112.51 1vba h TYR 173 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 1vba h TYR 173 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.70 1vba h TYR 173 CO 0.00 0.08 0.10 1.79 -0.00 0.00 0.00 178.16 180.13 1vba h THR 174 N 0.00 1.04 0.00 -0.90 1.35 -1.92 -1.17 112.91 111.31 1vba h THR 174 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1vba h THR 174 Cb 0.20 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1vba h THR 174 CO 0.01 0.04 0.00 0.79 -0.25 0.00 0.00 175.52 176.11 1vba n TRP 175 N -4.51 0.01 0.17 4.73 7.02 -1.14 -1.98 117.44 121.75 1vba n TRP 175 Ca -0.01 0.01 0.18 0.00 -1.02 0.00 0.00 57.50 56.66 1vba n TRP 175 Cb 0.08 -0.51 0.80 0.00 -2.42 0.00 0.00 31.31 29.26 1vba n TRP 175 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1vba h GLN 176 N 0.00 0.00 -6.97 -0.99 4.20 -1.42 -3.46 115.11 106.47 1vba h GLN 176 Ca 0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1vba h GLN 176 Cb 0.16 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.66 1vba h GLN 176 CO 0.00 0.00 -0.89 -2.37 -0.67 0.00 0.00 178.83 174.90 1vba n THR 177 N -3.68 -0.71 0.27 -0.54 5.66 -0.84 -4.86 114.28 109.59 1vba n THR 177 Ca 0.04 -0.09 0.11 0.00 -3.05 0.00 0.00 64.05 61.05 1vba n THR 177 Cb 0.44 -1.15 0.74 0.00 -1.55 0.00 0.00 70.33 68.81 1vba n THR 177 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1vba h SER 178 N -1.28 0.00 0.00 1.09 4.64 -1.89 -3.29 113.55 112.82 1vba h SER 178 Ca -0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1vba h SER 178 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1vba h SER 178 CO 0.82 0.04 -0.62 -1.20 -0.87 0.00 0.00 176.83 175.00 1vba n SER 179 N -4.14 3.10 -4.77 4.97 7.64 -1.26 -5.05 113.62 114.11 1vba n SER 179 Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.48 1vba n SER 179 Cb 0.13 0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1vba n SER 179 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1vba s ASN 180 N -1.60 6.60 0.13 6.43 0.01 -1.24 -5.01 114.94 120.27 1vba s ASN 180 Ca 0.00 2.22 -0.30 0.00 -0.71 0.00 0.00 52.86 54.06 1vba s ASN 180 Cb 0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1vba s ASN 180 CO 0.00 -0.61 1.14 -2.16 -1.51 0.00 0.00 177.10 173.96 1vba s PRO 181 N -2.38 4.52 0.04 -0.60 0.04 -1.26 -4.88 135.00 130.49 1vba s PRO 181 Ca 0.58 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.42 1vba s PRO 181 Cb -0.27 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1vba s PRO 181 CO 0.34 -0.07 -0.19 -1.12 0.04 0.00 0.00 177.00 176.00 1vba s SER 182 N 0.38 2.24 -0.18 6.66 0.01 -1.26 -1.00 113.70 120.55 1vba s SER 182 Ca 0.53 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.24 1vba s SER 182 Cb -0.29 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1vba s SER 182 CO 0.33 0.12 -0.00 -0.63 0.41 0.00 0.00 173.24 173.47 1vba s ILE 183 N -0.81 4.09 -0.36 1.44 1.01 0.40 -4.97 121.20 122.00 1vba s ILE 183 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.30 1vba s ILE 183 Cb -0.08 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1vba s ILE 183 CO 0.02 0.46 0.24 -0.36 0.00 0.00 0.00 174.94 175.30 1vba s PHE 184 N 0.59 3.23 -0.15 3.97 0.08 -1.26 -0.85 117.98 123.59 1vba s PHE 184 Ca -0.01 -0.53 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 1vba s PHE 184 Cb -0.14 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1vba s PHE 184 CO 0.02 -0.50 0.00 -0.47 -0.10 0.00 0.00 175.22 174.17 1vba s TYR 185 N 1.66 3.13 -0.21 0.36 5.04 0.23 -4.96 117.35 122.59 1vba s TYR 185 Ca 0.05 -0.07 -0.12 0.00 -2.44 0.00 0.00 57.07 54.49 1vba s TYR 185 Cb -0.18 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 40.11 1vba s TYR 185 CO 0.09 0.13 0.21 0.99 -1.34 0.00 0.00 175.55 175.63 1vba s THR 186 N 0.12 5.33 0.17 4.34 2.01 -1.26 -0.19 115.64 126.16 1vba s THR 186 Ca 0.02 0.33 -0.34 0.00 0.31 0.00 0.00 61.69 62.01 1vba s THR 186 Cb -0.13 -3.55 -0.15 0.00 0.01 0.00 0.00 72.50 68.68 1vba s THR 186 CO 0.02 0.35 1.38 0.00 -0.69 0.00 0.00 174.62 175.69 1vba n TYR 187 N 4.07 1.85 0.00 4.92 9.36 -0.30 -1.96 117.16 135.09 1vba n TYR 187 Ca -0.14 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.58 1vba n TYR 187 Cb 0.52 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 1vba n TYR 187 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1vba n GLY 188 N 2.56 3.29 3.76 2.98 0.00 -1.26 -4.92 105.19 111.60 1vba n GLY 188 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1vba n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vba s ALA 189 N -2.39 2.16 0.39 4.61 0.00 -0.83 -4.97 121.76 120.74 1vba s ALA 189 Ca 0.00 0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 1vba s ALA 189 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1vba s ALA 189 CO 0.00 -1.87 0.82 0.00 0.00 0.00 0.00 175.76 174.71 1vba n ALA 190 N -3.59 -0.64 -1.62 0.00 0.00 -1.26 -4.82 120.51 108.57 1vba n ALA 190 Ca 0.09 0.24 -0.50 0.00 0.00 0.00 0.00 53.44 53.27 1vba n ALA 190 Cb 0.53 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.99 1vba n ALA 190 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vba n PRO 191 N 0.42 1.55 -1.81 0.00 -0.02 -1.26 -4.89 135.00 128.98 1vba n PRO 191 Ca 0.11 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1vba n PRO 191 Cb 0.37 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1vba n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vba s ALA 192 N 0.72 3.40 -0.07 3.55 0.00 -1.04 -4.72 121.76 123.60 1vba s ALA 192 Ca 0.82 1.51 -0.03 0.00 0.00 0.00 0.00 51.96 54.27 1vba s ALA 192 Cb -0.85 -3.60 0.04 0.00 0.00 0.00 0.00 23.12 18.72 1vba s ALA 192 CO 0.44 -1.11 0.14 0.50 0.00 0.00 0.00 175.76 175.72 1vba s ARG 193 N -2.27 0.04 0.24 0.00 3.52 -1.26 -0.22 118.95 119.00 1vba s ARG 193 Ca 0.57 0.44 0.06 0.00 -0.13 0.00 0.00 55.73 56.66 1vba s ARG 193 Cb -0.45 -0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 32.64 1vba s ARG 193 CO 0.59 -0.24 -0.06 0.96 -0.81 0.00 0.00 175.30 175.75 1vba s ILE 194 N 1.72 1.41 -0.02 4.11 -5.25 -0.55 -5.01 121.20 117.61 1vba s ILE 194 Ca -0.03 -2.10 0.08 0.00 -0.99 0.00 0.00 60.65 57.61 1vba s ILE 194 Cb -0.12 -2.28 -0.02 0.00 2.95 0.00 0.00 42.46 42.99 1vba s ILE 194 CO -0.05 -0.41 -0.24 -0.44 -1.79 0.00 0.00 174.94 172.01 1vba s SER 195 N -3.35 3.19 -0.06 4.36 0.01 -1.26 -0.93 113.70 115.65 1vba s SER 195 Ca 0.27 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1vba s SER 195 Cb 0.04 -0.40 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 1vba s SER 195 CO 0.09 0.32 -0.22 -0.69 0.41 0.00 0.00 173.24 173.15 1vba s VAL 196 N -0.64 1.82 1.22 3.43 1.01 0.26 -5.00 120.40 122.49 1vba s VAL 196 Ca 0.10 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 1vba s VAL 196 Cb -0.10 -1.56 0.29 0.00 0.00 0.00 0.00 36.38 35.01 1vba s VAL 196 CO -0.01 0.51 1.06 -2.16 0.00 0.00 0.00 175.10 174.50 1vba s PRO 197 N 0.07 -1.34 -0.31 2.72 0.04 -1.26 -0.96 135.00 133.96 1vba s PRO 197 Ca -0.08 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 60.84 1vba s PRO 197 Cb -0.14 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 1vba s PRO 197 CO 0.05 -3.84 1.67 -0.47 0.04 0.00 0.00 177.00 174.44 1vba s TYR 198 N -2.77 2.01 -0.87 0.56 5.04 -1.25 -4.53 117.35 115.55 1vba s TYR 198 Ca 0.69 0.61 0.14 0.00 -2.44 0.00 0.00 57.07 56.07 1vba s TYR 198 Cb -0.14 -4.13 0.45 0.00 0.35 0.00 0.00 41.96 38.50 1vba s TYR 198 CO 0.58 -2.75 1.38 1.33 -1.34 0.00 0.00 175.55 174.75 1vba n VAL 199 N 7.07 1.44 -2.10 3.14 0.24 -1.26 -5.04 118.33 121.82 1vba n VAL 199 Ca 0.20 -1.24 -0.37 0.00 -2.04 0.00 0.00 64.34 60.89 1vba n VAL 199 Cb 0.47 0.26 0.01 0.00 -1.47 0.00 0.00 33.84 33.11 1vba n VAL 199 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1vba s GLY 200 N -1.20 2.80 0.41 7.63 0.00 -1.26 -4.94 107.32 110.75 1vba s GLY 200 Ca 0.34 1.06 0.29 0.00 0.00 0.00 0.00 44.72 46.40 1vba s GLY 200 CO 0.17 1.52 1.84 1.41 0.00 0.00 0.00 173.10 178.05 1vba h LEU 201 N 1.76 0.00 0.00 0.66 3.38 -1.96 -3.45 115.31 115.70 1vba h LEU 201 Ca -0.50 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.12 1vba h LEU 201 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1vba h LEU 201 CO 0.59 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.98 1vba n ALA 202 N -1.94 0.61 1.11 1.53 0.00 -1.26 -5.01 120.51 115.55 1vba n ALA 202 Ca 0.02 -1.40 0.14 0.00 0.00 0.00 0.00 53.44 52.19 1vba n ALA 202 Cb 0.29 0.53 0.64 0.00 0.00 0.00 0.00 19.45 20.91 1vba n ALA 202 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vba n ASN 203 N -2.07 0.03 -3.63 0.00 4.13 -1.26 -4.83 115.26 107.63 1vba n ASN 203 Ca 0.02 0.29 -0.14 0.00 1.68 0.00 0.00 54.58 56.43 1vba n ASN 203 Cb 0.40 -0.41 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 1vba n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vba s ALA 204 N -2.88 -1.16 0.07 5.41 0.00 -1.26 -4.93 121.76 117.00 1vba s ALA 204 Ca 0.18 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 1vba s ALA 204 Cb 0.19 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1vba s ALA 204 CO 0.52 -0.43 1.10 0.71 0.00 0.00 0.00 175.76 177.66 1vba s TYR 205 N -2.14 3.56 -0.41 0.00 2.02 0.74 -4.87 117.35 116.25 1vba s TYR 205 Ca -0.07 1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 57.93 1vba s TYR 205 Cb -0.01 -3.28 0.02 0.00 -0.40 0.00 0.00 41.96 38.28 1vba s TYR 205 CO 0.00 -0.68 0.67 -1.12 -1.57 0.00 0.00 175.55 172.85 1vba s SER 206 N 0.72 6.38 0.42 2.29 0.01 -1.26 -1.47 113.70 120.79 1vba s SER 206 Ca 0.54 -0.11 0.28 0.00 1.31 0.00 0.00 55.95 57.97 1vba s SER 206 Cb -0.27 -2.34 1.00 0.00 0.21 0.00 0.00 66.02 64.62 1vba s SER 206 CO 0.30 -0.75 1.82 0.45 0.41 0.00 0.00 173.24 175.47 1vba h HIS 207 N 8.75 0.00 -3.53 2.43 3.86 -1.06 -3.43 115.15 122.17 1vba h HIS 207 Ca -0.26 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.70 1vba h HIS 207 Cb 1.10 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.26 1vba h HIS 207 CO 0.75 0.00 -0.69 -0.06 0.86 0.00 0.00 177.93 178.80 1vba s PHE 208 N -3.42 -0.03 -0.34 2.45 0.40 -1.25 -5.06 117.98 110.73 1vba s PHE 208 Ca 0.04 0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1vba s PHE 208 Cb 0.09 -0.11 0.11 0.00 0.51 0.00 0.00 43.02 43.62 1vba s PHE 208 CO 0.54 -0.07 0.14 -0.47 0.70 0.00 0.00 175.22 176.05 1vba s TYR 209 N 0.66 1.65 -1.19 0.36 5.04 -1.26 -5.02 117.35 117.59 1vba s TYR 209 Ca -0.05 -1.85 -0.18 0.00 -2.44 0.00 0.00 57.07 52.55 1vba s TYR 209 Cb -0.07 -1.67 -0.03 0.00 0.35 0.00 0.00 41.96 40.54 1vba s TYR 209 CO -0.02 -0.85 2.00 -3.47 -1.34 0.00 0.00 175.55 171.86 1vba n ASP 210 N 4.53 3.60 -0.49 4.32 2.03 -1.26 -3.97 116.55 125.31 1vba n ASP 210 Ca 0.01 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.53 1vba n ASP 210 Cb 0.40 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 1vba n ASP 210 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vba n GLY 211 N 4.74 0.97 3.30 0.27 0.00 -1.26 -5.01 105.19 108.20 1vba n GLY 211 Ca 0.50 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1vba n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vba s PHE 212 N -2.85 1.58 -0.71 1.61 0.08 -1.26 -0.95 117.98 115.48 1vba s PHE 212 Ca 0.00 -0.58 0.24 0.00 0.12 0.00 0.00 56.93 56.71 1vba s PHE 212 Cb 0.00 -0.77 0.37 0.00 -0.57 0.00 0.00 43.02 42.05 1vba s PHE 212 CO 0.00 0.26 1.33 0.00 -0.10 0.00 0.00 175.22 176.71 1vba n ALA 213 N -0.01 3.05 -2.94 5.36 0.00 -1.25 -4.91 120.51 119.80 1vba n ALA 213 Ca -0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 1vba n ALA 213 Cb 0.59 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 1vba n ALA 213 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vba s LYS 214 N -3.14 0.14 -0.17 0.00 1.02 -1.26 -5.10 119.74 111.24 1vba s LYS 214 Ca 0.07 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.89 1vba s LYS 214 Cb 0.14 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1vba s LYS 214 CO 0.72 -0.02 0.03 0.08 -0.92 0.00 0.00 175.35 175.23 1vba s VAL 215 N -0.38 4.49 -0.03 3.17 1.01 -1.26 -4.69 120.40 122.71 1vba s VAL 215 Ca -0.04 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1vba s VAL 215 Cb -0.03 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1vba s VAL 215 CO -0.00 0.48 1.48 -2.16 0.00 0.00 0.00 175.10 174.90 1vba s PRO 216 N 0.27 4.24 0.02 2.72 0.04 -1.21 -4.71 135.00 136.37 1vba s PRO 216 Ca 0.01 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 1vba s PRO 216 Cb -0.13 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 1vba s PRO 216 CO 0.01 -0.68 0.22 -0.51 0.04 0.00 0.00 177.00 176.08 1vba s LEU 217 N 3.00 4.36 0.49 -3.56 1.43 -1.26 -5.01 118.68 118.14 1vba s LEU 217 Ca 0.66 0.37 0.27 0.00 -1.03 0.00 0.00 54.13 54.41 1vba s LEU 217 Cb -0.32 -2.77 1.35 0.00 0.03 0.00 0.00 46.19 44.48 1vba s LEU 217 CO 0.26 0.22 1.87 0.11 0.23 0.00 0.00 176.35 179.04 1vba h LYS 218 N 3.56 0.14 -0.09 1.70 1.57 -2.03 -1.91 116.57 119.50 1vba h LYS 218 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1vba h LYS 218 Cb 1.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1vba h LYS 218 CO 0.71 0.09 0.00 0.25 -0.57 0.00 0.00 179.45 179.93 1vba n THR 219 N -4.36 0.11 -2.22 -0.16 -2.24 -1.26 -4.95 114.28 99.21 1vba n THR 219 Ca 0.20 -0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1vba n THR 219 Cb 0.90 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1vba n THR 219 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1vba s ASP 220 N -1.63 6.77 0.00 3.42 1.01 -0.72 -5.01 116.67 120.51 1vba s ASP 220 Ca 0.32 2.53 0.00 0.00 0.71 0.00 0.00 52.55 56.11 1vba s ASP 220 Cb 0.16 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1vba s ASP 220 CO 0.26 -0.52 0.50 0.00 0.21 0.00 0.00 175.17 175.63 1vba n ALA 221 N 0.66 -0.07 -2.20 5.23 0.00 -1.26 -4.72 120.51 118.14 1vba n ALA 221 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 1vba n ALA 221 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 1vba n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vba s ASN 222 N -1.91 6.15 -0.20 0.00 4.22 -1.26 -4.98 114.94 116.97 1vba s ASN 222 Ca 0.00 0.94 0.05 0.00 -2.14 0.00 0.00 52.86 51.71 1vba s ASN 222 Cb 0.00 -2.18 0.42 0.00 1.28 0.00 0.00 41.25 40.77 1vba s ASN 222 CO 0.00 -0.68 1.37 -0.90 -2.04 0.00 0.00 177.10 174.85 1vba n ASP 223 N -2.36 3.56 -0.02 3.54 5.68 -1.26 -3.60 116.55 122.09 1vba n ASP 223 Ca 0.02 -2.73 -0.12 0.00 -0.50 0.00 0.00 54.79 51.46 1vba n ASP 223 Cb 0.55 -0.65 -0.14 0.00 -1.14 0.00 0.00 41.12 39.74 1vba n ASP 223 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vba n GLN 224 N -0.06 0.67 -0.27 0.11 6.02 -1.26 -4.33 117.38 118.25 1vba n GLN 224 Ca 0.25 0.29 0.06 0.00 -0.01 0.00 0.00 57.00 57.59 1vba n GLN 224 Cb 0.99 -1.77 0.16 0.00 1.02 0.00 0.00 30.24 30.64 1vba n GLN 224 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1vba h ILE 225 N 0.02 0.28 -0.34 5.09 2.04 -1.98 -1.58 117.51 121.04 1vba h ILE 225 Ca -0.32 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1vba h ILE 225 Cb 2.02 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1vba h ILE 225 CO 0.08 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.86 1vba n GLY 226 N -1.44 1.06 3.78 5.37 0.00 -1.26 -4.95 105.19 107.75 1vba n GLY 226 Ca 0.14 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1vba n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vba s ASP 227 N -1.36 7.37 0.09 1.61 -1.08 -0.60 -3.36 116.67 119.34 1vba s ASP 227 Ca 0.35 1.81 -0.09 0.00 -0.52 0.00 0.00 52.55 54.10 1vba s ASP 227 Cb 0.19 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1vba s ASP 227 CO 0.27 -0.01 0.20 -0.44 0.52 0.00 0.00 175.17 175.70 1vba s SER 228 N -1.54 0.10 0.08 -0.34 0.01 -1.26 -4.86 113.70 105.90 1vba s SER 228 Ca 0.48 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1vba s SER 228 Cb -0.20 0.35 -0.06 0.00 0.21 0.00 0.00 66.02 66.32 1vba s SER 228 CO 0.25 -0.73 1.10 -0.76 0.41 0.00 0.00 173.24 173.50 1vba s LEU 229 N -2.86 4.41 0.27 2.44 1.43 -1.26 -5.01 118.68 118.10 1vba s LEU 229 Ca 0.05 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 54.78 1vba s LEU 229 Cb 0.05 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.58 1vba s LEU 229 CO -0.11 -0.32 1.50 -0.47 0.23 0.00 0.00 176.35 177.18 1vba s TYR 230 N 0.60 2.92 0.00 0.29 5.04 -1.26 -2.82 117.35 122.12 1vba s TYR 230 Ca 0.54 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 1vba s TYR 230 Cb -0.27 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.13 1vba s TYR 230 CO 0.30 -3.01 0.00 0.43 -1.34 0.00 0.00 175.55 171.94 1vba n SER 231 N 2.27 0.00 -4.78 4.32 7.64 -0.12 -4.96 113.62 117.98 1vba n SER 231 Ca 0.07 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.57 1vba n SER 231 Cb 0.39 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.51 1vba n SER 231 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vba s ALA 232 N -1.74 3.42 0.00 -0.43 0.00 -1.13 -4.50 121.76 117.37 1vba s ALA 232 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1vba s ALA 232 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1vba s ALA 232 CO 0.00 0.28 0.00 -1.33 0.00 0.00 0.00 175.76 174.71 1vba n MET 233 N 1.35 0.00 -2.22 0.00 2.81 -1.26 -3.79 117.12 114.00 1vba n MET 233 Ca -0.04 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 1vba n MET 233 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.98 1vba n MET 233 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1vba s THR 234 N 0.97 4.54 0.07 2.03 -4.23 -1.26 -4.66 115.64 113.09 1vba s THR 234 Ca 0.00 1.10 -0.20 0.00 -1.18 0.00 0.00 61.69 61.41 1vba s THR 234 Cb 0.00 -3.74 -0.11 0.00 1.34 0.00 0.00 72.50 69.99 1vba s THR 234 CO 0.00 -0.81 1.49 0.58 -0.54 0.00 0.00 174.62 175.34 1vba h VAL 235 N 0.53 1.27 -0.31 2.29 2.07 -2.04 -3.29 116.25 116.77 1vba h VAL 235 Ca -0.46 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1vba h VAL 235 Cb 1.19 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1vba h VAL 235 CO 0.61 0.28 0.00 0.47 0.02 0.00 0.00 177.57 178.95 1vba n ASP 236 N -4.67 2.97 0.00 0.57 8.00 -1.26 -5.00 116.55 117.16 1vba n ASP 236 Ca -0.05 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.53 1vba n ASP 236 Cb 0.24 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1vba n ASP 236 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1vba n ASP 237 N 1.19 0.00 -0.12 -2.24 8.00 -1.24 -1.10 116.55 121.03 1vba n ASP 237 Ca 0.18 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.72 1vba n ASP 237 Cb 0.54 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.69 1vba n ASP 237 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1vba n PHE 238 N 0.00 0.00 -2.87 1.24 3.72 -1.26 -4.98 117.46 113.31 1vba n PHE 238 Ca 0.00 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 1vba n PHE 238 Cb 0.00 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1vba n PHE 238 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vba n GLY 239 N -0.67 -1.78 3.22 1.37 0.00 -0.26 -4.67 105.19 102.39 1vba n GLY 239 Ca 0.06 -1.55 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1vba n GLY 239 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vba s VAL 240 N 0.00 1.02 -0.28 1.61 -7.23 -0.50 -1.94 120.40 113.09 1vba s VAL 240 Ca 0.00 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.14 1vba s VAL 240 Cb 0.00 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 1vba s VAL 240 CO 0.00 -0.73 0.13 -0.76 -0.31 0.00 0.00 175.10 173.43 1vba s LEU 241 N -2.97 3.80 -0.23 1.32 1.43 0.26 -0.63 118.68 121.67 1vba s LEU 241 Ca 0.13 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 1vba s LEU 241 Cb 0.02 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1vba s LEU 241 CO -0.01 -0.09 0.30 0.00 0.23 0.00 0.00 176.35 176.78 1vba s ALA 242 N 1.66 3.58 -0.07 4.21 0.00 0.57 -0.81 121.76 130.90 1vba s ALA 242 Ca 0.06 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1vba s ALA 242 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 1vba s ALA 242 CO 0.06 -0.30 -0.19 0.08 0.00 0.00 0.00 175.76 175.41 1vba s VAL 243 N 1.31 2.62 0.14 0.00 1.01 0.27 -0.46 120.40 125.28 1vba s VAL 243 Ca 0.14 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1vba s VAL 243 Cb -0.14 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1vba s VAL 243 CO 0.07 0.57 0.35 0.00 0.00 0.00 0.00 175.10 176.08 1vba s ARG 244 N -0.28 1.10 -0.24 2.72 1.70 -0.55 -1.10 118.95 122.31 1vba s ARG 244 Ca 0.01 -0.92 -0.17 0.00 -0.47 0.00 0.00 55.73 54.17 1vba s ARG 244 Cb -0.13 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.65 1vba s ARG 244 CO 0.03 -0.42 0.48 0.08 -1.08 0.00 0.00 175.30 174.39 1vba s VAL 245 N -3.87 5.11 0.13 4.99 1.01 -1.26 -0.76 120.40 125.75 1vba s VAL 245 Ca 0.08 0.83 0.16 0.00 0.00 0.00 0.00 61.98 63.05 1vba s VAL 245 Cb 0.02 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.68 1vba s VAL 245 CO -0.07 0.14 1.64 0.58 0.00 0.00 0.00 175.10 177.39 1vba h VAL 246 N 5.28 1.03 -3.55 2.92 2.07 -1.10 -3.45 116.25 119.46 1vba h VAL 246 Ca -0.31 -1.86 -0.56 0.00 0.82 0.00 0.00 66.70 64.78 1vba h VAL 246 Cb 1.15 2.10 0.12 0.00 -1.52 0.00 0.00 31.29 33.14 1vba h VAL 246 CO 0.71 0.47 0.54 0.59 0.02 0.00 0.00 177.57 179.90 1vba n ASN 247 N -3.52 2.78 -4.79 0.57 4.13 -1.25 -5.00 115.26 108.18 1vba n ASN 247 Ca -0.00 1.15 -0.33 0.00 1.68 0.00 0.00 54.58 57.08 1vba n ASN 247 Cb 0.59 -1.51 0.02 0.00 -1.54 0.00 0.00 39.78 37.34 1vba n ASN 247 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1vba s ASP 248 N -0.43 5.58 0.21 6.41 1.11 -1.26 -4.95 116.67 123.34 1vba s ASP 248 Ca 0.59 1.90 -0.31 0.00 0.18 0.00 0.00 52.55 54.90 1vba s ASP 248 Cb -0.52 -2.54 -0.11 0.00 1.07 0.00 0.00 42.92 40.82 1vba s ASP 248 CO 0.60 -1.31 1.60 -1.38 1.18 0.00 0.00 175.17 175.86 1vba s HIS 249 N -2.36 2.96 0.99 4.23 -3.43 -1.26 -5.01 115.29 111.40 1vba s HIS 249 Ca 0.65 0.63 -0.12 0.00 -0.80 0.00 0.00 55.06 55.42 1vba s HIS 249 Cb -0.18 -3.99 0.18 0.00 -1.43 0.00 0.00 32.58 27.16 1vba s HIS 249 CO 0.37 -3.59 1.08 -0.80 -2.00 0.00 0.00 174.74 169.80 1vba s ASN 250 N 0.94 2.63 0.45 7.38 -0.87 -1.26 -4.90 114.94 119.32 1vba s ASN 250 Ca 0.69 1.39 0.18 0.00 -1.57 0.00 0.00 52.86 53.55 1vba s ASN 250 Cb -0.46 -2.07 1.07 0.00 -0.02 0.00 0.00 41.25 39.77 1vba s ASN 250 CO 0.36 -3.15 1.97 1.55 -2.57 0.00 0.00 177.10 175.26 1vba h PRO 251 N -1.90 0.00 -6.20 -0.60 0.14 -1.84 -3.42 132.00 118.17 1vba h PRO 251 Ca -0.54 0.00 -0.63 0.00 0.14 0.00 0.00 66.00 64.97 1vba h PRO 251 Cb 1.31 0.00 -0.09 0.00 0.14 0.00 0.00 31.00 32.36 1vba h PRO 251 CO 0.55 0.21 -0.60 -0.08 0.14 0.00 0.00 178.00 178.21 1vba s THR 252 N -4.38 4.47 -0.04 1.56 -1.32 -1.25 -4.96 115.64 109.72 1vba s THR 252 Ca -0.03 -0.83 -0.21 0.00 -1.21 0.00 0.00 61.69 59.40 1vba s THR 252 Cb 0.15 -3.17 -0.05 0.00 -1.51 0.00 0.00 72.50 67.92 1vba s THR 252 CO 0.67 0.09 0.60 -0.75 -2.21 0.00 0.00 174.62 173.02 1vba s LYS 253 N -2.48 4.35 -0.14 7.08 2.20 -1.26 -4.89 119.74 124.60 1vba s LYS 253 Ca 0.29 0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1vba s LYS 253 Cb -0.12 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 1vba s LYS 253 CO 0.22 0.25 -0.12 0.08 -0.36 0.00 0.00 175.35 175.42 1vba s VAL 254 N 0.21 3.13 -0.14 4.02 1.01 -0.95 -2.50 120.40 125.17 1vba s VAL 254 Ca 0.32 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1vba s VAL 254 Cb -0.18 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1vba s VAL 254 CO 0.16 0.52 -0.00 -0.89 0.00 0.00 0.00 175.10 174.89 1vba s THR 255 N 0.42 4.24 0.06 3.92 2.01 -0.62 -1.38 115.64 124.30 1vba s THR 255 Ca -0.09 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 61.73 1vba s THR 255 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1vba s THR 255 CO 0.05 0.52 -0.18 -0.44 -0.69 0.00 0.00 174.62 173.88 1vba s SER 256 N -0.02 2.13 -0.12 3.53 0.01 -0.52 -1.41 113.70 117.31 1vba s SER 256 Ca 0.03 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.75 1vba s SER 256 Cb -0.13 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1vba s SER 256 CO 0.02 0.05 -0.22 -0.54 0.41 0.00 0.00 173.24 172.96 1vba s LYS 257 N -1.49 3.06 -0.43 12.44 1.02 0.15 -1.19 119.74 133.31 1vba s LYS 257 Ca 0.04 -0.85 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 1vba s LYS 257 Cb -0.09 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1vba s LYS 257 CO 0.02 0.09 0.33 0.08 -0.92 0.00 0.00 175.35 174.95 1vba s VAL 258 N 0.56 5.16 -0.19 3.17 1.01 0.11 -1.61 120.40 128.60 1vba s VAL 258 Ca -0.13 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.81 1vba s VAL 258 Cb -0.17 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1vba s VAL 258 CO 0.04 -0.41 0.51 -0.13 0.00 0.00 0.00 175.10 175.11 1vba s ARG 259 N 1.65 4.20 -0.31 2.72 0.52 0.29 -0.84 118.95 127.17 1vba s ARG 259 Ca 0.04 0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 55.57 1vba s ARG 259 Cb -0.21 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 1vba s ARG 259 CO 0.08 -0.12 0.16 0.42 0.02 0.00 0.00 175.30 175.86 1vba s ILE 260 N 1.55 4.67 -0.21 1.52 1.01 -0.26 -0.74 121.20 128.74 1vba s ILE 260 Ca 0.24 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.40 1vba s ILE 260 Cb -0.15 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1vba s ILE 260 CO 0.10 0.06 0.13 -0.31 0.00 0.00 0.00 174.94 174.92 1vba s TYR 261 N 1.63 3.34 -0.14 3.97 1.51 -0.09 -0.82 117.35 126.75 1vba s TYR 261 Ca 0.05 0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.31 1vba s TYR 261 Cb -0.17 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 1vba s TYR 261 CO 0.07 0.17 -0.02 1.41 -1.11 0.00 0.00 175.55 176.06 1vba s MET 262 N 0.67 3.55 -0.12 -0.62 1.75 -0.11 -1.02 119.30 123.41 1vba s MET 262 Ca 0.07 -0.49 -0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1vba s MET 262 Cb -0.12 -2.91 0.04 0.00 2.84 0.00 0.00 34.83 34.68 1vba s MET 262 CO 0.01 0.34 -0.01 0.21 -0.65 0.00 0.00 175.02 174.92 1vba s LYS 263 N 0.11 0.89 0.05 4.11 2.20 -0.25 -0.88 119.74 125.98 1vba s LYS 263 Ca -0.00 -0.15 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 1vba s LYS 263 Cb -0.13 -1.45 -0.05 0.00 -1.51 0.00 0.00 37.83 34.68 1vba s LYS 263 CO 0.02 -0.38 1.20 -1.25 -0.36 0.00 0.00 175.35 174.58 1vba s PRO 264 N 1.86 4.42 0.16 4.03 0.04 -1.26 -0.46 135.00 143.79 1vba s PRO 264 Ca 0.03 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1vba s PRO 264 Cb -0.14 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1vba s PRO 264 CO -0.07 -0.27 -0.12 -1.59 0.04 0.00 0.00 177.00 174.99 1vba s LYS 265 N 1.15 1.11 -1.31 4.56 -2.85 0.40 -4.66 119.74 118.15 1vba s LYS 265 Ca 0.59 -1.44 -0.03 0.00 -1.00 0.00 0.00 55.97 54.09 1vba s LYS 265 Cb -0.29 -0.80 0.01 0.00 -2.06 0.00 0.00 37.83 34.69 1vba s LYS 265 CO 0.29 0.12 0.86 0.72 0.10 0.00 0.00 175.35 177.44 1vba n HIS 266 N -0.08 -2.13 -2.85 1.78 8.25 -1.26 -0.94 115.22 117.99 1vba n HIS 266 Ca -0.11 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 57.84 1vba n HIS 266 Cb 0.60 -4.59 -0.05 0.00 1.12 0.00 0.00 29.99 27.06 1vba n HIS 266 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vba s VAL 267 N -3.51 4.45 -0.01 1.59 1.01 -1.26 -4.38 120.40 118.29 1vba s VAL 267 Ca 0.14 1.89 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1vba s VAL 267 Cb -0.07 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 1vba s VAL 267 CO 0.78 0.40 -0.12 -0.13 0.00 0.00 0.00 175.10 176.04 1vba s ARG 268 N -0.46 1.01 0.02 2.72 0.52 0.11 -4.68 118.95 118.18 1vba s ARG 268 Ca 0.41 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 55.23 1vba s ARG 268 Cb -0.23 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.26 1vba s ARG 268 CO 0.28 0.24 -0.09 0.14 0.02 0.00 0.00 175.30 175.89 1vba s VAL 269 N -0.22 0.70 0.14 3.52 -7.23 -1.26 -0.44 120.40 115.61 1vba s VAL 269 Ca 0.04 -0.71 0.08 0.00 -1.81 0.00 0.00 61.98 59.57 1vba s VAL 269 Cb -0.05 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1vba s VAL 269 CO -0.00 -0.04 -0.18 0.26 -0.31 0.00 0.00 175.10 174.83 1vba s TRP 270 N -0.70 1.72 -0.28 2.82 0.51 0.12 -4.99 118.94 118.15 1vba s TRP 270 Ca -0.01 -0.47 -0.11 0.00 -2.12 0.00 0.00 56.10 53.38 1vba s TRP 270 Cb -0.06 -0.89 0.02 0.00 -0.81 0.00 0.00 33.47 31.73 1vba s TRP 270 CO 0.00 0.26 0.26 0.00 -0.51 0.00 0.00 176.95 176.97 1vba s PRO 272 N -1.83 2.23 0.05 0.00 0.04 -1.26 -0.94 135.00 133.29 1vba s PRO 272 Ca 0.13 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.03 1vba s PRO 272 Cb -0.02 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1vba s PRO 272 CO 0.59 -1.78 -0.06 1.03 0.04 0.00 0.00 177.00 176.81 1vba s ARG 273 N -3.76 0.53 0.32 4.56 0.52 0.15 -4.82 118.95 116.45 1vba s ARG 273 Ca 0.77 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 1vba s ARG 273 Cb -0.31 -0.17 -0.11 0.00 0.52 0.00 0.00 34.95 34.87 1vba s ARG 273 CO 0.44 0.01 1.48 -2.14 0.02 0.00 0.00 175.30 175.11 1vba s PRO 274 N -1.99 4.18 0.71 3.54 0.02 -1.26 -4.64 135.00 135.55 1vba s PRO 274 Ca -0.07 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 1vba s PRO 274 Cb -0.07 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.45 1vba s PRO 274 CO -0.01 -0.49 1.24 -1.25 -0.33 0.00 0.00 177.00 176.16 1vba s PRO 275 N -1.24 2.22 0.05 5.54 0.04 -1.26 -4.87 135.00 135.48 1vba s PRO 275 Ca 0.57 1.89 -0.32 0.00 0.04 0.00 0.00 61.00 63.18 1vba s PRO 275 Cb -0.45 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1vba s PRO 275 CO 0.53 -1.81 1.88 -2.13 0.04 0.00 0.00 177.00 175.51 1vba n ARG 276 N -2.47 2.66 -0.00 4.56 3.00 -1.26 -4.89 116.66 118.25 1vba n ARG 276 Ca 0.14 0.97 0.09 0.00 -0.00 0.00 0.00 57.85 59.06 1vba n ARG 276 Cb 0.49 -2.87 -0.12 0.00 0.00 0.00 0.00 32.46 29.97 1vba n ARG 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vba n ALA 277 N 6.33 3.97 -2.50 5.13 0.00 -1.26 -5.00 120.51 127.18 1vba n ALA 277 Ca 0.20 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1vba n ALA 277 Cb 0.36 -0.67 -0.11 0.00 0.00 0.00 0.00 19.45 19.03 1vba n ALA 277 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1vba s VAL 278 N -2.91 1.26 0.24 0.00 -7.23 -1.26 -4.64 120.40 105.86 1vba s VAL 278 Ca 0.03 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.20 1vba s VAL 278 Cb 0.14 -1.49 -0.13 0.00 0.56 0.00 0.00 36.38 35.46 1vba s VAL 278 CO 0.77 -0.43 1.42 -2.65 -0.31 0.00 0.00 175.10 173.90 1vba n PRO 279 N 0.56 2.05 -1.70 4.82 -0.02 -1.26 -4.93 135.00 134.52 1vba n PRO 279 Ca -0.16 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 1vba n PRO 279 Cb 0.57 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1vba n PRO 279 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1vba n TYR 280 N 1.97 2.24 -3.53 6.00 4.01 -1.26 -4.66 117.16 121.93 1vba n TYR 280 Ca 0.12 0.54 -0.27 0.00 -0.16 0.00 0.00 57.90 58.12 1vba n TYR 280 Cb 0.31 -2.41 -0.10 0.00 -0.31 0.00 0.00 39.34 36.84 1vba n TYR 280 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1vba n TYR 281 N 0.18 0.84 -1.22 -0.72 9.36 -1.05 -4.98 117.16 119.58 1vba n TYR 281 Ca 0.05 -3.73 0.00 0.00 3.32 0.00 0.00 57.90 57.54 1vba n TYR 281 Cb 0.37 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1vba n TYR 281 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1vba n GLY 282 N 2.21 -1.80 0.14 2.98 0.00 -1.26 -4.46 105.19 103.01 1vba n GLY 282 Ca 0.26 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1vba n GLY 282 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vba h PRO 283 N 0.00 0.00 0.00 1.61 0.13 -1.97 -3.46 132.00 128.31 1vba h PRO 283 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1vba h PRO 283 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1vba h PRO 283 CO 0.00 0.53 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 1vba n GLY 284 N 0.90 -0.73 0.35 1.56 0.00 -1.26 -4.96 105.19 101.05 1vba n GLY 284 Ca 0.01 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.42 1vba n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vba n VAL 285 N -1.40 0.14 -1.74 1.61 0.24 -1.26 -4.75 118.33 111.17 1vba n VAL 285 Ca 0.00 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 1vba n VAL 285 Cb 0.00 0.12 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1vba n VAL 285 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1vba n ASP 286 N -0.09 3.27 -4.47 -1.34 8.00 -1.26 -4.92 116.55 115.73 1vba n ASP 286 Ca 0.15 1.21 -0.27 0.00 0.71 0.00 0.00 54.79 56.60 1vba n ASP 286 Cb 0.23 -1.55 -0.11 0.00 -0.02 0.00 0.00 41.12 39.66 1vba n ASP 286 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1vba s TYR 287 N -1.11 2.40 0.11 1.24 -0.85 -1.26 -2.54 117.35 115.34 1vba s TYR 287 Ca 0.55 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 1vba s TYR 287 Cb -0.52 -1.18 0.00 0.00 0.38 0.00 0.00 41.96 40.64 1vba s TYR 287 CO 0.63 0.51 0.00 -2.13 -1.52 0.00 0.00 175.55 173.04 1vba n ARG 288 N 0.15 0.00 -4.27 -3.49 0.63 -1.26 -5.00 116.66 103.42 1vba n ARG 288 Ca -0.12 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.63 1vba n ARG 288 Cb 0.56 -0.12 -0.08 0.00 0.45 0.00 0.00 32.46 33.27 1vba n ARG 288 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1vba s ASN 289 N -4.99 1.57 -1.06 6.15 0.01 -1.26 -4.84 114.94 110.53 1vba s ASN 289 Ca 0.00 -1.73 -0.05 0.00 -0.71 0.00 0.00 52.86 50.37 1vba s ASN 289 Cb 0.00 0.56 0.01 0.00 0.41 0.00 0.00 41.25 42.22 1vba s ASN 289 CO 0.00 -1.07 0.92 0.59 -1.51 0.00 0.00 177.10 176.02 1vba n ASN 290 N -1.50 -4.65 -0.32 -1.22 3.02 -1.26 -4.49 115.26 104.84 1vba n ASN 290 Ca 0.07 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1vba n ASN 290 Cb 0.62 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 1vba n ASN 290 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vba n LEU 291 N -3.97 0.61 -3.14 3.41 4.77 -1.26 -4.35 117.00 113.07 1vba n LEU 291 Ca -0.05 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.34 1vba n LEU 291 Cb 0.57 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1vba n LEU 291 CO 0.51 0.15 0.29 -0.90 -1.33 0.00 0.00 177.39 176.11 1vba n ASP 292 N -0.16 4.67 -0.22 -1.43 5.75 -1.26 -4.95 116.55 118.96 1vba n ASP 292 Ca 0.00 -3.63 0.03 0.00 -0.01 0.00 0.00 54.79 51.18 1vba n ASP 292 Cb 0.15 -0.66 0.28 0.00 -1.03 0.00 0.00 41.12 39.86 1vba n ASP 292 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1vba h PRO 293 N 3.42 0.92 -6.05 0.11 0.13 -1.82 -3.44 132.00 125.26 1vba h PRO 293 Ca 0.19 -0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.70 1vba h PRO 293 Cb 0.52 -0.21 -0.05 0.00 0.13 0.00 0.00 31.00 31.39 1vba h PRO 293 CO 0.87 0.61 0.02 -0.51 -0.23 0.00 0.00 178.00 178.76 1vba s LEU 294 N -9.84 4.38 0.74 1.56 1.02 -1.26 -5.07 118.68 110.21 1vba s LEU 294 Ca -0.11 1.16 -0.13 0.00 0.02 0.00 0.00 54.13 55.07 1vba s LEU 294 Cb 0.19 -2.98 0.05 0.00 0.02 0.00 0.00 46.19 43.46 1vba s LEU 294 CO 0.78 0.02 1.15 -0.44 0.02 0.00 0.00 176.35 177.88 1vba s SER 295 N 0.21 4.33 0.05 2.29 0.01 -1.26 -5.02 113.70 114.30 1vba s SER 295 Ca 0.33 2.13 -0.30 0.00 1.31 0.00 0.00 55.95 59.42 1vba s SER 295 Cb -0.18 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1vba s SER 295 CO 0.17 -2.16 1.00 -0.70 0.41 0.00 0.00 173.24 171.96 1vba s GLU 296 N -4.25 4.59 -0.16 12.44 2.12 -1.26 -5.04 118.70 127.14 1vba s GLU 296 Ca 0.69 1.47 -0.13 0.00 0.36 0.00 0.00 54.97 57.35 1vba s GLU 296 Cb -0.23 -3.42 0.04 0.00 0.26 0.00 0.00 34.13 30.78 1vba s GLU 296 CO 0.48 0.02 0.41 0.21 -0.54 0.00 0.00 175.26 175.83 1vba s LYS 297 N 0.65 0.46 0.33 4.30 2.47 -1.26 -5.15 119.74 121.54 1vba s LYS 297 Ca 0.51 0.60 -0.29 0.00 -1.56 0.00 0.00 55.97 55.23 1vba s LYS 297 Cb -0.23 0.19 -0.10 0.00 -1.46 0.00 0.00 37.83 36.23 1vba s LYS 297 CO 0.29 -0.07 1.28 0.20 0.16 0.00 0.00 175.35 177.21 1vba s GLY 298 N 0.41 3.01 0.29 5.54 0.00 -1.26 -4.93 107.32 110.37 1vba s GLY 298 Ca -0.02 1.22 0.03 0.00 0.00 0.00 0.00 44.72 45.96 1vba s GLY 298 CO -0.02 1.87 1.81 -2.00 0.00 0.00 0.00 173.10 174.76 1vba h LEU 299 N 3.43 0.87 -3.80 0.66 5.85 -2.04 -2.28 115.31 118.01 1vba h LEU 299 Ca -0.49 0.07 -0.47 0.00 0.84 0.00 0.00 57.88 57.83 1vba h LEU 299 Cb 1.22 -0.10 -0.26 0.00 0.37 0.00 0.00 40.66 41.89 1vba h LEU 299 CO 0.66 0.41 0.37 0.35 -0.34 0.00 0.00 178.44 179.88 1vba n THR 300 N -4.68 3.08 -4.38 1.05 -2.24 -1.26 -4.95 114.28 100.90 1vba n THR 300 Ca 0.21 -2.65 -0.33 0.00 -2.27 0.00 0.00 64.05 59.00 1vba n THR 300 Cb 0.44 -0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 67.83 1vba n THR 300 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1vba s THR 301 N -3.82 2.65 -2.00 4.28 2.01 -0.86 -5.29 115.64 112.60 1vba s THR 301 Ca 0.55 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.87 1vba s THR 301 Cb 0.46 -2.13 0.25 0.00 0.01 0.00 0.00 72.50 71.09 1vba s THR 301 CO 0.04 0.51 0.98 -1.22 -0.69 0.00 0.00 174.62 174.23