#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xps s GLU 2 N 0.00 2.39 0.86 1.64 2.12 -1.26 -5.10 118.70 119.34 1xps s GLU 2 Ca 0.00 -1.28 -0.11 0.00 0.36 0.00 0.00 54.97 53.94 1xps s GLU 2 Cb 0.00 -3.07 0.11 0.00 0.26 0.00 0.00 34.13 31.43 1xps s GLU 2 CO 0.00 -0.59 1.09 0.95 -0.54 0.00 0.00 175.26 176.17 1xps s THR 3 N 1.20 2.85 0.42 -1.70 -4.23 -1.26 -4.75 115.64 108.18 1xps s THR 3 Ca -0.06 0.27 0.12 0.00 -1.18 0.00 0.00 61.69 60.84 1xps s THR 3 Cb -0.20 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.16 1xps s THR 3 CO -0.03 -0.36 1.99 0.00 -0.54 0.00 0.00 174.62 175.69 1xps h ALA 4 N -1.41 1.93 -0.24 3.99 0.00 -1.97 0.19 119.26 121.76 1xps h ALA 4 Ca -0.48 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.21 1xps h ALA 4 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xps h ALA 4 CO 0.55 -0.04 -0.64 0.00 0.00 0.00 0.00 179.25 179.12 1xps h ALA 5 N 1.70 0.40 -0.56 0.00 0.00 -1.88 -0.88 119.26 118.05 1xps h ALA 5 Ca 0.25 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1xps h ALA 5 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xps h ALA 5 CO -0.07 0.68 0.04 0.00 0.00 0.00 0.00 179.25 179.90 1xps h ALA 6 N 0.63 0.74 -0.76 0.00 0.00 -1.60 -2.31 119.26 115.96 1xps h ALA 6 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1xps h ALA 6 Cb 1.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1xps h ALA 6 CO 0.14 0.54 0.37 0.87 0.00 0.00 0.00 179.25 181.16 1xps h LYS 7 N 0.84 1.09 -0.74 0.00 1.57 -0.56 -2.31 116.57 116.45 1xps h LYS 7 Ca 0.16 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xps h LYS 7 Cb 0.49 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 1xps h LYS 7 CO 0.02 0.84 0.46 0.35 -0.57 0.00 0.00 179.45 180.55 1xps h PHE 8 N 1.08 0.97 -0.01 -1.35 3.57 -0.82 -0.62 116.94 119.76 1xps h PHE 8 Ca 0.26 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1xps h PHE 8 Cb 0.11 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1xps h PHE 8 CO 0.01 0.64 0.00 0.93 -2.23 0.00 0.00 178.31 177.67 1xps h GLU 9 N 1.01 0.01 -0.47 1.11 5.08 -1.04 0.10 114.58 120.38 1xps h GLU 9 Ca 0.27 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1xps h GLU 9 Cb -0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1xps h GLU 9 CO -0.05 0.10 0.24 -0.09 -1.00 0.00 0.00 179.01 178.22 1xps h ARG 10 N -0.08 0.66 -0.02 2.33 2.43 -1.28 0.27 114.38 118.69 1xps h ARG 10 Ca 0.00 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 1xps h ARG 10 Cb 0.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1xps h ARG 10 CO -0.00 0.54 -0.78 1.96 -1.51 0.00 0.00 179.97 180.18 1xps h GLN 11 N 0.61 0.17 0.00 0.20 4.20 -1.00 -3.41 115.11 115.88 1xps h GLN 11 Ca 0.16 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xps h GLN 11 Cb 0.08 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xps h GLN 11 CO -0.02 0.86 -0.33 0.72 -0.67 0.00 0.00 178.83 179.39 1xps n HIS 12 N -3.72 0.00 -3.61 2.96 8.25 0.34 -4.78 115.22 114.66 1xps n HIS 12 Ca -0.03 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 1xps n HIS 12 Cb 0.74 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.78 1xps n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1xps s MET 13 N -1.20 3.95 -0.47 -0.41 -1.94 0.08 -0.26 119.30 119.05 1xps s MET 13 Ca 0.00 0.14 0.06 0.00 -1.71 0.00 0.00 55.69 54.18 1xps s MET 13 Cb 0.00 -3.30 0.18 0.00 2.01 0.00 0.00 34.83 33.72 1xps s MET 13 CO 0.00 0.51 0.57 -3.47 -0.01 0.00 0.00 175.02 172.62 1xps n ASP 14 N 2.63 -2.21 0.00 3.03 2.03 -0.61 -4.85 116.55 116.57 1xps n ASP 14 Ca -0.15 -2.70 0.11 0.00 0.52 0.00 0.00 54.79 52.57 1xps n ASP 14 Cb 0.53 0.79 0.48 0.00 -0.72 0.00 0.00 41.12 42.20 1xps n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xps n SER 15 N 2.87 0.00 0.25 1.67 7.64 -1.26 -3.87 113.62 120.92 1xps n SER 15 Ca 0.23 0.42 0.11 0.00 1.01 0.00 0.00 58.87 60.64 1xps n SER 15 Cb 0.53 -0.47 0.63 0.00 -1.01 0.00 0.00 64.21 63.90 1xps n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1xps h SER 16 N 0.00 0.00 -4.42 6.43 4.64 -1.94 -3.44 113.55 114.83 1xps h SER 16 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1xps h SER 16 Cb 0.35 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.20 1xps h SER 16 CO 0.00 0.16 -0.77 0.28 -0.87 0.00 0.00 176.83 175.64 1xps s THR 17 N -4.05 0.81 -0.09 2.95 -1.32 -1.25 -5.04 115.64 107.65 1xps s THR 17 Ca -0.02 -0.93 0.30 0.00 -1.21 0.00 0.00 61.69 59.83 1xps s THR 17 Cb 0.12 -0.78 0.37 0.00 -1.51 0.00 0.00 72.50 70.71 1xps s THR 17 CO 0.61 -0.13 1.86 0.77 -2.21 0.00 0.00 174.62 175.51 1xps h SER 18 N 4.89 0.00 -5.17 8.08 4.64 -1.89 -3.44 113.55 120.66 1xps h SER 18 Ca -0.36 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.20 1xps h SER 18 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1xps h SER 18 CO 0.43 0.00 0.67 0.00 -0.87 0.00 0.00 176.83 177.07 1xps s ALA 19 N -3.51 -1.97 -0.00 5.18 0.00 -1.26 -4.89 121.76 115.30 1xps s ALA 19 Ca 0.03 0.75 -0.33 0.00 0.00 0.00 0.00 51.96 52.41 1xps s ALA 19 Cb 0.08 0.36 -0.12 0.00 0.00 0.00 0.00 23.12 23.44 1xps s ALA 19 CO 0.58 -0.91 1.83 0.00 0.00 0.00 0.00 175.76 177.27 1xps n ALA 20 N -0.37 1.21 0.16 0.00 0.00 -1.26 -4.87 120.51 115.37 1xps n ALA 20 Ca -0.06 0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.70 1xps n ALA 20 Cb 0.61 -2.50 0.24 0.00 0.00 0.00 0.00 19.45 17.80 1xps n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xps h SER 21 N 8.67 0.00 -5.28 0.00 4.64 -1.98 -3.47 113.55 116.13 1xps h SER 21 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1xps h SER 21 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 1xps h SER 21 CO 0.94 0.52 -0.08 -0.94 -0.87 0.00 0.00 176.83 176.39 1xps s SER 22 N -6.77 0.18 0.00 4.97 1.04 -1.26 -5.00 113.70 106.86 1xps s SER 22 Ca -0.01 -1.10 0.15 0.00 0.48 0.00 0.00 55.95 55.48 1xps s SER 22 Cb 0.13 0.64 0.69 0.00 0.10 0.00 0.00 66.02 67.58 1xps s SER 22 CO 0.74 -1.25 1.48 -1.54 0.98 0.00 0.00 173.24 173.64 1xps n SER 23 N -0.78 0.00 -0.84 7.02 3.41 -1.26 -1.94 113.62 119.23 1xps n SER 23 Ca -0.02 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 1xps n SER 23 Cb 0.61 -0.44 0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1xps n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xps n ASN 24 N -1.44 2.78 -0.10 4.04 5.15 -1.26 -4.28 115.26 120.17 1xps n ASN 24 Ca 0.05 -1.85 -0.06 0.00 -0.60 0.00 0.00 54.58 52.12 1xps n ASN 24 Cb 0.16 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1xps n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1xps h TYR 25 N 3.85 -0.21 -0.74 1.20 3.20 -1.79 -2.67 116.97 119.81 1xps h TYR 25 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1xps h TYR 25 Cb 0.84 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 1xps h TYR 25 CO 0.05 -0.16 0.43 0.00 -1.64 0.00 0.00 178.16 176.85 1xps h ASN 27 N 1.02 0.49 0.03 0.00 2.35 -1.78 0.37 115.58 118.06 1xps h ASN 27 Ca 0.26 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1xps h ASN 27 Cb -0.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1xps h ASN 27 CO -0.05 0.35 -0.01 1.56 -1.65 0.00 0.00 177.43 177.63 1xps h GLN 28 N 0.58 -0.04 -0.36 0.81 4.20 -1.23 -3.18 115.11 115.90 1xps h GLN 28 Ca 0.17 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 1xps h GLN 28 Cb -0.05 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1xps h GLN 28 CO -0.05 0.24 -0.35 0.52 -0.67 0.00 0.00 178.83 178.53 1xps h MET 29 N -0.32 0.82 -0.98 1.46 2.86 -0.94 -1.79 114.93 116.04 1xps h MET 29 Ca -0.00 -0.40 0.02 0.00 -2.06 0.00 0.00 59.70 57.25 1xps h MET 29 Cb 0.30 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1xps h MET 29 CO 0.01 1.03 0.65 0.52 1.06 0.00 0.00 176.91 180.18 1xps h MET 30 N 0.68 1.27 0.14 1.72 2.86 -1.02 -1.51 114.93 119.07 1xps h MET 30 Ca 0.07 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1xps h MET 30 Cb 0.90 -0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1xps h MET 30 CO 0.08 0.84 -0.07 -0.22 1.06 0.00 0.00 176.91 178.60 1xps h LYS 31 N 1.31 -0.18 0.00 1.72 1.63 -1.52 -0.83 116.57 118.70 1xps h LYS 31 Ca 0.37 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1xps h LYS 31 Cb -0.11 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1xps h LYS 31 CO -0.09 0.22 -0.10 0.66 -3.45 0.00 0.00 179.45 176.69 1xps h SER 32 N -0.63 0.00 -0.29 4.20 4.64 -1.23 -2.19 113.55 118.05 1xps h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xps h SER 32 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1xps h SER 32 CO 0.03 0.10 0.00 0.54 -0.87 0.00 0.00 176.83 176.63 1xps n ARG 33 N -3.70 1.81 -2.31 4.77 5.12 -0.58 -4.93 116.66 116.84 1xps n ARG 33 Ca -0.02 -1.24 -0.17 0.00 -1.93 0.00 0.00 57.85 54.49 1xps n ARG 33 Cb 0.21 -1.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.17 1xps n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1xps n ASN 34 N 0.49 -5.00 -0.67 0.55 5.15 -0.82 -4.82 115.26 110.13 1xps n ASN 34 Ca 0.14 -0.01 0.10 0.00 -0.60 0.00 0.00 54.58 54.20 1xps n ASN 34 Cb 0.32 -4.09 0.31 0.00 -0.53 0.00 0.00 39.78 35.78 1xps n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1xps n LEU 35 N -2.43 1.98 -0.10 1.20 4.77 -0.32 -3.45 117.00 118.66 1xps n LEU 35 Ca -0.20 -0.87 0.05 0.00 -0.03 0.00 0.00 56.01 54.95 1xps n LEU 35 Cb 0.65 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1xps n LEU 35 CO 0.23 0.44 0.48 0.35 -1.33 0.00 0.00 177.39 177.56 1xps n THR 36 N 0.54 1.20 0.36 -5.08 -2.24 -1.24 -2.69 114.28 105.13 1xps n THR 36 Ca 0.16 -1.38 -0.16 0.00 -2.27 0.00 0.00 64.05 60.40 1xps n THR 36 Cb 0.36 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 1xps n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xps h LYS 37 N 0.00 -0.96 -0.00 -0.78 3.64 -1.90 -3.36 116.57 113.20 1xps h LYS 37 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xps h LYS 37 Cb 0.90 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1xps h LYS 37 CO 0.00 -0.64 -0.47 -0.25 -2.27 0.00 0.00 179.45 175.83 1xps n ASP 38 N -4.93 0.94 -3.34 4.20 8.00 -1.26 -5.03 116.55 115.12 1xps n ASP 38 Ca -0.12 -0.97 -0.04 0.00 0.71 0.00 0.00 54.79 54.37 1xps n ASP 38 Cb 0.41 0.79 0.01 0.00 -0.02 0.00 0.00 41.12 42.31 1xps n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xps s ARG 39 N -1.98 1.47 -0.38 -1.24 3.03 -1.26 -5.12 118.95 113.48 1xps s ARG 39 Ca 0.07 -0.93 -0.12 0.00 2.03 0.00 0.00 55.73 56.78 1xps s ARG 39 Cb 0.10 0.42 0.02 0.00 -1.03 0.00 0.00 34.95 34.46 1xps s ARG 39 CO 0.45 -0.69 0.24 0.00 -1.13 0.00 0.00 175.30 174.17 1xps n LYS 41 N 5.06 2.33 -0.24 0.00 4.81 -1.09 -4.88 118.16 124.15 1xps n LYS 41 Ca -0.12 0.85 -0.03 0.00 -0.87 0.00 0.00 58.31 58.14 1xps n LYS 41 Cb 0.47 -2.67 0.14 0.00 0.02 0.00 0.00 35.03 32.99 1xps n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1xps h PRO 42 N 7.64 1.07 -3.17 1.64 0.13 -1.94 -3.45 132.00 133.92 1xps h PRO 42 Ca -0.46 -0.15 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 1xps h PRO 42 Cb 1.25 -0.20 -0.24 0.00 0.13 0.00 0.00 31.00 31.95 1xps h PRO 42 CO 0.92 0.83 -0.40 0.08 -0.23 0.00 0.00 178.00 179.20 1xps s VAL 43 N -5.60 0.02 -0.26 1.56 1.01 -1.26 -1.98 120.40 113.90 1xps s VAL 43 Ca -0.11 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1xps s VAL 43 Cb 0.16 -0.42 0.07 0.00 0.00 0.00 0.00 36.38 36.19 1xps s VAL 43 CO 0.81 -0.11 0.69 0.21 0.00 0.00 0.00 175.10 176.70 1xps s ASN 44 N -0.39 -0.75 -0.10 3.32 2.47 0.00 -5.01 114.94 114.48 1xps s ASN 44 Ca -0.05 1.40 -0.00 0.00 0.42 0.00 0.00 52.86 54.63 1xps s ASN 44 Cb -0.03 1.40 -0.03 0.00 -1.45 0.00 0.00 41.25 41.14 1xps s ASN 44 CO 0.01 -0.24 -0.08 -0.89 -3.72 0.00 0.00 177.10 172.18 1xps s THR 45 N 0.56 3.55 -0.08 -5.21 2.01 -1.26 -0.94 115.64 114.28 1xps s THR 45 Ca -0.02 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 1xps s THR 45 Cb -0.05 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1xps s THR 45 CO -0.02 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.06 1xps s PHE 46 N -0.26 3.00 -0.25 4.92 0.08 -0.41 -4.48 117.98 120.58 1xps s PHE 46 Ca 0.03 0.03 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1xps s PHE 46 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1xps s PHE 46 CO 0.03 0.32 0.04 0.08 -0.10 0.00 0.00 175.22 175.59 1xps s VAL 47 N -0.69 4.01 -1.16 -0.44 1.01 0.64 -0.79 120.40 122.99 1xps s VAL 47 Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1xps s VAL 47 Cb -0.11 -2.89 0.25 0.00 0.00 0.00 0.00 36.38 33.62 1xps s VAL 47 CO 0.02 0.33 1.77 1.41 0.00 0.00 0.00 175.10 178.63 1xps n HIS 48 N 4.88 2.55 -4.05 5.22 -0.00 0.03 -1.58 115.22 122.28 1xps n HIS 48 Ca -0.16 -2.65 -0.10 0.00 -0.00 0.00 0.00 57.72 54.80 1xps n HIS 48 Cb 0.51 -1.50 -0.08 0.00 -0.00 0.00 0.00 29.99 28.92 1xps n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1xps s GLU 49 N -2.03 1.15 0.48 -0.41 0.41 -1.26 -4.59 118.70 112.44 1xps s GLU 49 Ca 0.38 -1.32 -0.23 0.00 -0.41 0.00 0.00 54.97 53.39 1xps s GLU 49 Cb 0.11 0.34 -0.07 0.00 -1.78 0.00 0.00 34.13 32.73 1xps s GLU 49 CO 0.01 -0.40 1.21 -1.54 -0.49 0.00 0.00 175.26 174.04 1xps s SER 50 N -3.02 5.99 0.32 -0.19 1.04 -1.26 -4.34 113.70 112.23 1xps s SER 50 Ca 0.23 2.40 -0.00 0.00 0.48 0.00 0.00 55.95 59.06 1xps s SER 50 Cb 0.04 -2.61 0.51 0.00 0.10 0.00 0.00 66.02 64.06 1xps s SER 50 CO 0.03 -1.05 1.98 0.25 0.98 0.00 0.00 173.24 175.43 1xps h LEU 51 N 1.93 0.86 -0.61 2.42 5.85 -1.99 -2.37 115.31 121.40 1xps h LEU 51 Ca -0.50 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.24 1xps h LEU 51 Cb 1.26 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1xps h LEU 51 CO 0.60 0.63 0.35 0.00 -0.34 0.00 0.00 178.44 179.68 1xps h ALA 52 N 1.52 0.80 -0.33 1.25 0.00 -1.99 0.12 119.26 120.63 1xps h ALA 52 Ca 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1xps h ALA 52 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xps h ALA 52 CO -0.06 0.05 -0.16 -0.44 0.00 0.00 0.00 179.25 178.65 1xps h ASP 53 N 0.68 0.58 -0.16 0.00 3.32 -1.82 -2.02 116.42 116.99 1xps h ASP 53 Ca 0.26 -0.17 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 1xps h ASP 53 Cb 0.10 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xps h ASP 53 CO -0.14 0.76 -0.63 0.58 -1.72 0.00 0.00 179.24 178.09 1xps h VAL 54 N 0.54 1.31 -0.37 -1.35 2.07 -0.98 -3.23 116.25 114.23 1xps h VAL 54 Ca 0.09 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 1xps h VAL 54 Cb 0.58 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1xps h VAL 54 CO 0.04 0.58 0.17 1.56 0.02 0.00 0.00 177.57 179.94 1xps h GLN 55 N 0.41 0.52 0.00 1.57 4.20 -0.66 -2.00 115.11 119.14 1xps h GLN 55 Ca -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1xps h GLN 55 Cb 1.26 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1xps h GLN 55 CO 0.13 0.41 -0.03 0.00 -0.67 0.00 0.00 178.83 178.67 1xps h ALA 56 N 1.67 1.12 0.00 3.87 0.00 -1.38 -2.54 119.26 122.00 1xps h ALA 56 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xps h ALA 56 Cb 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xps h ALA 56 CO -0.02 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.47 1xps h VAL 57 N 0.00 0.91 0.00 0.00 2.07 -1.44 -2.09 116.25 115.71 1xps h VAL 57 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xps h VAL 57 Cb 0.20 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1xps h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1xps n SER 59 N -1.59 2.20 0.00 0.00 3.41 -0.79 -5.01 113.62 111.84 1xps n SER 59 Ca 0.01 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 1xps n SER 59 Cb 0.04 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1xps n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xps n GLN 60 N -1.36 0.50 -2.47 4.33 6.02 -0.21 -5.03 117.38 119.17 1xps n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 1xps n GLN 60 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.89 1xps n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xps s LYS 61 N 4.17 3.71 -0.04 -1.09 2.20 -0.98 -4.87 119.74 122.83 1xps s LYS 61 Ca 0.00 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 1xps s LYS 61 Cb 0.00 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 1xps s LYS 61 CO 0.00 -1.40 1.33 1.21 -0.36 0.00 0.00 175.35 176.14 1xps s ASN 62 N 3.11 6.92 0.24 1.43 3.04 -1.26 0.19 114.94 128.60 1xps s ASN 62 Ca 0.55 1.97 0.01 0.00 0.04 0.00 0.00 52.86 55.43 1xps s ASN 62 Cb -0.12 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1xps s ASN 62 CO 0.30 -0.69 0.13 0.68 -3.04 0.00 0.00 177.10 174.47 1xps s VAL 63 N 2.56 0.26 0.23 -5.21 -7.23 0.18 -4.91 120.40 106.28 1xps s VAL 63 Ca 0.61 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.50 1xps s VAL 63 Cb -0.28 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 1xps s VAL 63 CO 0.24 0.00 0.88 0.00 -0.31 0.00 0.00 175.10 175.90 1xps s ALA 64 N -3.90 3.36 0.66 1.32 0.00 -1.26 -3.34 121.76 118.58 1xps s ALA 64 Ca 0.38 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1xps s ALA 64 Cb 0.07 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1xps s ALA 64 CO 0.14 0.24 1.05 0.00 0.00 0.00 0.00 175.76 177.18 1xps h LYS 66 N -0.44 0.02 -0.43 0.00 1.57 -1.89 -0.74 116.57 114.67 1xps h LYS 66 Ca -0.44 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1xps h LYS 66 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1xps h LYS 66 CO 0.59 0.02 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1xps n ASN 67 N -4.39 2.24 0.00 0.86 0.23 -1.26 -4.92 115.26 108.03 1xps n ASN 67 Ca 0.09 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.11 1xps n ASN 67 Cb 0.58 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1xps n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xps n GLY 68 N 1.08 1.84 3.70 4.83 0.00 -0.28 -5.04 105.19 111.32 1xps n GLY 68 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1xps n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xps s GLN 69 N -0.44 1.31 0.00 1.61 -1.52 -1.26 -4.75 119.66 114.60 1xps s GLN 69 Ca 0.00 1.46 0.12 0.00 -1.95 0.00 0.00 55.36 55.00 1xps s GLN 69 Cb 0.00 -1.77 0.14 0.00 -0.22 0.00 0.00 33.01 31.16 1xps s GLN 69 CO 0.00 -2.40 0.96 0.25 -0.25 0.00 0.00 175.29 173.85 1xps n THR 70 N -4.07 0.18 -0.31 -0.19 -2.24 -1.26 -1.30 114.28 105.10 1xps n THR 70 Ca 0.11 -0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1xps n THR 70 Cb 0.52 1.12 0.09 0.00 -2.10 0.00 0.00 70.33 69.96 1xps n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xps n ASN 71 N 0.68 3.81 -4.88 3.42 6.94 -1.26 -4.72 115.26 119.24 1xps n ASN 71 Ca 0.08 -2.91 -0.33 0.00 -0.02 0.00 0.00 54.58 51.40 1xps n ASN 71 Cb 0.33 -0.73 -0.05 0.00 -2.36 0.00 0.00 39.78 36.97 1xps n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xps s TYR 73 N -1.35 0.78 -0.11 0.00 1.51 0.13 -0.65 117.35 117.67 1xps s TYR 73 Ca 0.28 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 56.17 1xps s TYR 73 Cb -0.13 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1xps s TYR 73 CO 0.20 -0.02 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.48 1xps s GLN 74 N -0.17 3.18 0.35 -0.62 0.74 0.13 -1.71 119.66 121.56 1xps s GLN 74 Ca 0.03 -0.44 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 1xps s GLN 74 Cb -0.04 -2.83 -0.09 0.00 1.10 0.00 0.00 33.01 31.15 1xps s GLN 74 CO -0.00 0.57 1.14 -1.54 -0.55 0.00 0.00 175.29 174.91 1xps s SER 75 N -0.52 6.86 0.10 6.67 1.04 -0.60 -2.33 113.70 124.92 1xps s SER 75 Ca 0.09 2.32 -0.13 0.00 0.48 0.00 0.00 55.95 58.70 1xps s SER 75 Cb -0.12 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.26 1xps s SER 75 CO 0.02 -0.44 1.36 1.88 0.98 0.00 0.00 173.24 177.04 1xps h TYR 76 N 3.14 1.00 -2.92 5.02 0.05 -1.96 -3.43 116.97 117.85 1xps h TYR 76 Ca -0.48 -0.38 -0.46 0.00 0.05 0.00 0.00 58.73 57.47 1xps h TYR 76 Cb 1.22 -0.18 0.04 0.00 1.01 0.00 0.00 36.73 38.82 1xps h TYR 76 CO 0.57 1.19 -0.02 -1.12 -1.05 0.00 0.00 178.16 177.73 1xps s SER 77 N -6.87 5.65 0.34 3.88 0.01 -1.26 -5.03 113.70 110.41 1xps s SER 77 Ca -0.11 0.33 -0.07 0.00 1.31 0.00 0.00 55.95 57.40 1xps s SER 77 Cb 0.09 -1.43 -0.06 0.00 0.21 0.00 0.00 66.02 64.83 1xps s SER 77 CO 0.87 -0.89 0.65 0.42 0.41 0.00 0.00 173.24 174.71 1xps s THR 78 N -2.71 4.92 0.10 1.44 -4.23 -1.26 -4.45 115.64 109.46 1xps s THR 78 Ca 0.51 0.31 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1xps s THR 78 Cb -0.10 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1xps s THR 78 CO 0.40 -0.41 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.88 1xps s MET 79 N -3.68 0.96 -0.23 3.99 -1.94 0.54 -4.88 119.30 114.06 1xps s MET 79 Ca 0.47 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1xps s MET 79 Cb -0.11 -0.90 0.00 0.00 2.01 0.00 0.00 34.83 35.84 1xps s MET 79 CO 0.30 0.18 1.13 0.45 -0.01 0.00 0.00 175.02 177.08 1xps s SER 80 N -2.19 7.00 0.17 3.03 0.15 -1.26 -1.99 113.70 118.60 1xps s SER 80 Ca 0.05 1.42 0.02 0.00 0.70 0.00 0.00 55.95 58.14 1xps s SER 80 Cb -0.07 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1xps s SER 80 CO 0.03 -0.76 -0.01 0.27 1.20 0.00 0.00 173.24 173.97 1xps s ILE 81 N 3.44 0.73 -0.07 6.45 -4.36 -0.61 -0.79 121.20 126.01 1xps s ILE 81 Ca 0.48 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.91 1xps s ILE 81 Cb -0.17 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1xps s ILE 81 CO 0.11 -0.52 -0.11 -0.89 0.24 0.00 0.00 174.94 173.78 1xps s THR 82 N -3.62 1.03 -0.20 8.37 2.01 0.03 -1.38 115.64 121.88 1xps s THR 82 Ca 0.23 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.73 1xps s THR 82 Cb 0.06 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1xps s THR 82 CO 0.03 0.34 0.11 -0.62 -0.69 0.00 0.00 174.62 173.79 1xps s ASP 83 N 0.79 6.05 -0.15 3.53 2.15 0.20 -1.29 116.67 127.95 1xps s ASP 83 Ca -0.12 0.18 0.02 0.00 0.43 0.00 0.00 52.55 53.06 1xps s ASP 83 Cb -0.15 -2.06 0.01 0.00 -0.30 0.00 0.00 42.92 40.42 1xps s ASP 83 CO 0.02 0.17 -0.21 0.00 -0.17 0.00 0.00 175.17 174.98 1xps s ARG 85 N 0.95 0.06 0.52 0.00 1.70 -1.09 -0.82 118.95 120.27 1xps s ARG 85 Ca -0.04 -0.08 -0.23 0.00 -0.47 0.00 0.00 55.73 54.91 1xps s ARG 85 Cb -0.15 0.02 -0.06 0.00 -0.57 0.00 0.00 34.95 34.20 1xps s ARG 85 CO -0.05 -0.01 1.37 0.39 -1.08 0.00 0.00 175.30 175.92 1xps n GLU 86 N 2.85 1.81 -3.19 3.89 1.02 -0.84 -0.55 120.64 125.63 1xps n GLU 86 Ca -0.14 0.66 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1xps n GLU 86 Cb 0.59 -2.57 0.05 0.00 -0.02 0.00 0.00 31.44 29.48 1xps n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xps s THR 87 N -1.27 2.12 -0.39 2.62 -4.23 -1.02 -4.78 115.64 108.69 1xps s THR 87 Ca 0.69 -1.09 0.25 0.00 -1.18 0.00 0.00 61.69 60.36 1xps s THR 87 Cb -0.43 -2.21 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1xps s THR 87 CO 0.51 0.00 1.76 1.23 -0.54 0.00 0.00 174.62 177.58 1xps h GLY 88 N 0.32 0.00 2.00 3.99 0.00 -1.97 -2.81 103.07 104.61 1xps h GLY 88 Ca -0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1xps h GLY 88 CO 0.44 0.00 -0.30 0.23 0.00 0.00 0.00 176.54 176.91 1xps h SER 89 N 0.00 0.00 -2.56 0.19 0.87 -1.94 -3.45 113.55 106.66 1xps h SER 89 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.01 1xps h SER 89 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1xps h SER 89 CO 0.00 0.30 1.12 -0.55 -0.53 0.00 0.00 176.83 177.17 1xps s SER 90 N -6.29 6.60 -0.24 6.23 0.15 -1.06 -4.79 113.70 114.30 1xps s SER 90 Ca 0.01 2.29 -0.03 0.00 0.70 0.00 0.00 55.95 58.93 1xps s SER 90 Cb 0.10 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 62.01 1xps s SER 90 CO 0.67 -0.97 0.39 -0.75 1.20 0.00 0.00 173.24 173.78 1xps s LYS 91 N 4.17 0.36 0.25 5.44 2.20 -0.77 -4.88 119.74 126.51 1xps s LYS 91 Ca 0.77 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.67 1xps s LYS 91 Cb -0.35 -0.38 -0.15 0.00 -1.51 0.00 0.00 37.83 35.44 1xps s LYS 91 CO 0.32 -0.62 1.04 0.98 -0.36 0.00 0.00 175.35 176.71 1xps n TYR 92 N 5.37 1.20 1.94 4.03 9.36 -1.26 0.33 117.16 138.13 1xps n TYR 92 Ca -0.04 0.70 0.15 0.00 3.32 0.00 0.00 57.90 62.04 1xps n TYR 92 Cb 0.50 -2.25 0.90 0.00 -0.63 0.00 0.00 39.34 37.86 1xps n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xps n PRO 93 N 1.10 0.97 -2.38 2.98 -0.04 -1.26 -4.96 135.00 131.41 1xps n PRO 93 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1xps n PRO 93 Cb 0.29 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1xps n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xps n ASN 94 N -0.99 5.55 -4.73 3.54 3.02 0.15 -4.98 115.26 116.82 1xps n ASN 94 Ca 0.23 -3.16 -0.41 0.00 -0.03 0.00 0.00 54.58 51.21 1xps n ASN 94 Cb 0.10 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 37.81 1xps n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xps s ALA 96 N 0.32 0.68 0.08 0.00 0.00 -1.26 -4.92 121.76 116.67 1xps s ALA 96 Ca 0.58 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.26 1xps s ALA 96 Cb -0.37 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1xps s ALA 96 CO 0.37 0.15 -0.12 0.71 0.00 0.00 0.00 175.76 176.86 1xps s TYR 97 N -0.09 1.15 -0.18 0.00 2.02 -1.26 -2.45 117.35 116.54 1xps s TYR 97 Ca 0.02 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 1xps s TYR 97 Cb -0.04 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.84 1xps s TYR 97 CO -0.00 0.04 0.18 0.21 -1.57 0.00 0.00 175.55 174.41 1xps s LYS 98 N -2.17 4.14 -0.21 -0.62 2.20 0.29 -4.68 119.74 118.68 1xps s LYS 98 Ca 0.01 -0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.40 1xps s LYS 98 Cb -0.07 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xps s LYS 98 CO 0.02 0.33 0.16 0.99 -0.36 0.00 0.00 175.35 176.49 1xps s THR 99 N 0.24 5.38 -0.10 3.43 2.01 -1.26 -2.67 115.64 122.67 1xps s THR 99 Ca 0.11 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 1xps s THR 99 Cb -0.12 -3.50 0.03 0.00 0.01 0.00 0.00 72.50 68.92 1xps s THR 99 CO 0.00 0.40 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.42 1xps s THR 100 N 0.58 0.64 0.14 -0.82 2.01 -0.52 -4.96 115.64 112.70 1xps s THR 100 Ca 0.09 -0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 1xps s THR 100 Cb -0.12 -0.77 -0.07 0.00 0.01 0.00 0.00 72.50 71.55 1xps s THR 100 CO 0.01 0.26 0.82 -1.10 -0.69 0.00 0.00 174.62 173.91 1xps s GLN 101 N 1.86 4.61 0.17 4.92 -0.21 -1.26 -0.63 119.66 129.12 1xps s GLN 101 Ca 0.04 1.22 -0.08 0.00 0.02 0.00 0.00 55.36 56.56 1xps s GLN 101 Cb -0.13 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 1xps s GLN 101 CO -0.07 0.45 0.28 0.00 -2.12 0.00 0.00 175.29 173.83 1xps s ALA 102 N -0.74 0.08 -0.30 6.09 0.00 -0.48 -4.97 121.76 121.43 1xps s ALA 102 Ca 0.39 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1xps s ALA 102 Cb -0.23 0.90 0.10 0.00 0.00 0.00 0.00 23.12 23.89 1xps s ALA 102 CO 0.27 -0.65 0.12 -0.80 0.00 0.00 0.00 175.76 174.69 1xps s ASN 103 N -2.98 3.79 0.20 0.00 -0.87 -1.26 -1.57 114.94 112.25 1xps s ASN 103 Ca 0.19 -1.50 -0.04 0.00 -1.57 0.00 0.00 52.86 49.94 1xps s ASN 103 Cb 0.03 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.25 40.61 1xps s ASN 103 CO 0.01 -0.42 0.21 -0.54 -2.57 0.00 0.00 177.10 173.79 1xps s LYS 104 N 1.81 1.24 0.33 -0.60 1.02 -0.84 -4.81 119.74 117.89 1xps s LYS 104 Ca 0.10 -1.48 -0.26 0.00 0.02 0.00 0.00 55.97 54.34 1xps s LYS 104 Cb -0.17 0.32 -0.10 0.00 -0.52 0.00 0.00 37.83 37.36 1xps s LYS 104 CO -0.30 -0.43 0.96 -1.01 -0.92 0.00 0.00 175.35 173.65 1xps s HIS 105 N -4.10 3.65 0.17 3.18 3.76 -1.26 -0.34 115.29 120.35 1xps s HIS 105 Ca 0.32 1.77 0.06 0.00 -0.15 0.00 0.00 55.06 57.05 1xps s HIS 105 Cb 0.05 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 1xps s HIS 105 CO 0.09 0.09 0.10 0.96 -0.85 0.00 0.00 174.74 175.13 1xps s ILE 106 N -1.60 4.31 -0.11 0.60 -4.36 -1.26 -0.93 121.20 117.85 1xps s ILE 106 Ca 0.51 -1.16 -0.00 0.00 -0.26 0.00 0.00 60.65 59.74 1xps s ILE 106 Cb -0.20 -3.19 0.02 0.00 1.25 0.00 0.00 42.46 40.34 1xps s ILE 106 CO 0.25 -0.11 -0.08 -0.63 0.24 0.00 0.00 174.94 174.61 1xps s ILE 107 N -1.74 1.05 0.13 8.37 1.01 -0.48 -1.56 121.20 127.98 1xps s ILE 107 Ca 0.30 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.71 1xps s ILE 107 Cb -0.10 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1xps s ILE 107 CO 0.22 0.37 -0.16 0.68 0.00 0.00 0.00 174.94 176.05 1xps s VAL 108 N 1.63 1.50 -0.11 2.92 -7.23 -0.70 -0.39 120.40 118.03 1xps s VAL 108 Ca 0.04 -1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1xps s VAL 108 Cb -0.13 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1xps s VAL 108 CO -0.08 -0.32 0.30 0.00 -0.31 0.00 0.00 175.10 174.69 1xps s ALA 109 N -1.90 3.67 0.13 1.32 0.00 -0.38 -0.69 121.76 123.90 1xps s ALA 109 Ca 0.09 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.70 1xps s ALA 109 Cb -0.06 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1xps s ALA 109 CO 0.04 0.29 -0.09 0.00 0.00 0.00 0.00 175.76 175.99 1xps s GLU 111 N -2.39 1.18 0.01 0.00 2.12 -0.62 -4.92 118.70 114.09 1xps s GLU 111 Ca 0.22 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1xps s GLU 111 Cb -0.10 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1xps s GLU 111 CO 0.14 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 1xps n GLY 112 N -0.16 -2.82 2.74 -1.50 0.00 -1.26 -1.88 105.19 100.30 1xps n GLY 112 Ca -0.17 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1xps n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xps s ASN 113 N -1.51 3.78 0.47 1.61 3.04 -1.26 -1.21 114.94 119.87 1xps s ASN 113 Ca 0.00 -1.44 -0.23 0.00 0.04 0.00 0.00 52.86 51.24 1xps s ASN 113 Cb 0.00 -0.81 -0.07 0.00 -1.54 0.00 0.00 41.25 38.83 1xps s ASN 113 CO 0.00 -0.38 1.18 -2.16 -3.04 0.00 0.00 177.10 172.70 1xps s PRO 114 N 1.67 3.68 -0.61 0.43 0.04 -1.26 -5.09 135.00 133.86 1xps s PRO 114 Ca 0.07 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.64 1xps s PRO 114 Cb -0.17 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.01 1xps s PRO 114 CO -0.21 -0.63 1.49 -0.47 0.04 0.00 0.00 177.00 177.22 1xps s TYR 115 N -1.54 2.14 0.27 0.56 5.04 -0.35 -4.88 117.35 118.59 1xps s TYR 115 Ca 0.65 0.42 0.02 0.00 -2.44 0.00 0.00 57.07 55.71 1xps s TYR 115 Cb -0.29 -4.38 -0.05 0.00 0.35 0.00 0.00 41.96 37.58 1xps s TYR 115 CO 0.35 -2.10 0.08 0.14 -1.34 0.00 0.00 175.55 172.69 1xps s VAL 116 N 6.65 0.69 0.26 3.14 -7.23 -0.79 -4.87 120.40 118.25 1xps s VAL 116 Ca 0.52 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 1xps s VAL 116 Cb -0.11 -2.64 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1xps s VAL 116 CO 0.22 -0.02 1.19 -2.84 -0.31 0.00 0.00 175.10 173.33 1xps s PRO 117 N -4.00 4.52 0.00 4.82 0.02 -1.26 -1.58 135.00 137.51 1xps s PRO 117 Ca 0.37 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1xps s PRO 117 Cb 0.08 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1xps s PRO 117 CO 0.14 0.01 0.15 1.33 -0.33 0.00 0.00 177.00 178.29 1xps n VAL 118 N 1.54 0.00 -3.65 3.83 0.24 0.04 -4.51 118.33 115.82 1xps n VAL 118 Ca 0.01 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1xps n VAL 118 Cb 0.44 1.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.99 1xps n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xps s HIS 119 N -0.24 -0.85 -0.26 6.34 5.65 -1.21 -4.68 115.29 120.05 1xps s HIS 119 Ca 0.00 1.85 -0.18 0.00 0.25 0.00 0.00 55.06 56.98 1xps s HIS 119 Cb 0.00 0.42 -0.03 0.00 -1.18 0.00 0.00 32.58 31.79 1xps s HIS 119 CO 0.00 -0.42 0.53 0.12 -0.65 0.00 0.00 174.74 174.32 1xps s PHE 120 N 1.05 3.28 -0.23 3.88 2.19 -1.26 -1.25 117.98 125.63 1xps s PHE 120 Ca -0.06 0.67 -0.16 0.00 0.33 0.00 0.00 56.93 57.71 1xps s PHE 120 Cb -0.05 -2.73 -0.17 0.00 -1.31 0.00 0.00 43.02 38.76 1xps s PHE 120 CO -0.10 -0.27 -0.01 -3.47 1.83 0.00 0.00 175.22 173.19 1xps n ASP 121 N 5.50 1.93 -3.35 6.13 2.03 0.48 -4.95 116.55 124.32 1xps n ASP 121 Ca -0.04 0.34 -0.03 0.00 0.52 0.00 0.00 54.79 55.58 1xps n ASP 121 Cb 0.50 -0.87 0.02 0.00 -0.72 0.00 0.00 41.12 40.05 1xps n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xps n ALA 122 N -3.68 -2.77 -3.00 -1.67 0.00 -1.06 -4.86 120.51 103.46 1xps n ALA 122 Ca -0.41 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 51.89 1xps n ALA 122 Cb 0.81 0.54 -0.14 0.00 0.00 0.00 0.00 19.45 20.66 1xps n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xps s SER 123 N -3.48 -0.02 0.00 0.00 1.04 -1.26 -1.38 113.70 108.61 1xps s SER 123 Ca 0.24 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1xps s SER 123 Cb -0.03 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1xps s SER 123 CO 0.05 -0.02 0.26 1.33 0.98 0.00 0.00 173.24 175.83