#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 1.82 0.73 -1.58 2.12 -1.26 -5.11 118.70 115.42 1xps s GLU 2 Ca 0.00 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 1xps s GLU 2 Cb 0.00 -1.66 0.03 0.00 0.26 0.00 0.00 34.13 32.76 1xps s GLU 2 CO 0.00 -0.13 1.11 0.95 -0.54 0.00 0.00 175.26 176.65 1xps s THR 3 N 1.22 3.04 0.31 -1.70 -4.23 -1.26 -4.88 115.64 108.15 1xps s THR 3 Ca -0.03 0.31 0.03 0.00 -1.18 0.00 0.00 61.69 60.82 1xps s THR 3 Cb -0.14 -3.33 0.14 0.00 1.34 0.00 0.00 72.50 70.51 1xps s THR 3 CO -0.04 -0.43 1.83 0.00 -0.54 0.00 0.00 174.62 175.44 1xps h ALA 4 N -0.75 1.28 -0.24 3.99 0.00 -1.97 -0.84 119.26 120.72 1xps h ALA 4 Ca -0.45 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1xps h ALA 4 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1xps h ALA 4 CO 0.64 0.48 -0.44 0.00 0.00 0.00 0.00 179.25 179.94 1xps h ALA 5 N 1.42 0.78 -0.31 0.00 0.00 -1.88 -1.63 119.26 117.65 1xps h ALA 5 Ca 0.11 -0.46 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1xps h ALA 5 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xps h ALA 5 CO 0.02 0.66 -0.42 0.00 0.00 0.00 0.00 179.25 179.51 1xps h ALA 6 N 1.03 0.68 -0.80 0.00 0.00 -1.84 -2.86 119.26 115.47 1xps h ALA 6 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1xps h ALA 6 Cb 0.96 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1xps h ALA 6 CO 0.09 0.67 0.38 -0.22 0.00 0.00 0.00 179.25 180.17 1xps h LYS 7 N 0.62 1.16 -0.59 0.00 3.64 -0.97 -1.97 116.57 118.45 1xps h LYS 7 Ca 0.05 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1xps h LYS 7 Cb 0.98 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1xps h LYS 7 CO 0.09 0.90 0.28 0.35 -2.27 0.00 0.00 179.45 178.80 1xps h PHE 8 N 1.14 0.82 -0.38 1.91 3.04 -1.19 -1.57 116.94 120.71 1xps h PHE 8 Ca 0.27 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.11 1xps h PHE 8 Cb 0.13 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1xps h PHE 8 CO 0.01 0.60 -0.12 0.93 -2.02 0.00 0.00 178.31 177.72 1xps h GLU 9 N 0.83 0.75 -0.47 1.11 5.08 -1.19 -0.55 114.58 120.14 1xps h GLU 9 Ca 0.20 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1xps h GLU 9 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1xps h GLU 9 CO -0.03 0.91 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.77 1xps h ARG 10 N 0.55 0.86 0.03 2.33 2.43 -1.10 -0.87 114.38 118.60 1xps h ARG 10 Ca 0.09 -0.29 -0.23 0.00 -0.81 0.00 0.00 59.98 58.74 1xps h ARG 10 Cb 0.65 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1xps h ARG 10 CO 0.04 0.92 -0.99 1.96 -1.51 0.00 0.00 179.97 180.39 1xps h GLN 11 N 0.70 0.33 0.00 0.20 4.20 -1.28 -3.41 115.11 115.85 1xps h GLN 11 Ca 0.13 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1xps h GLN 11 Cb 0.55 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1xps h GLN 11 CO 0.03 1.09 -0.05 0.72 -0.67 0.00 0.00 178.83 179.95 1xps n HIS 12 N -3.68 0.00 -3.64 2.96 8.25 -0.22 -4.73 115.22 114.16 1xps n HIS 12 Ca -0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.04 1xps n HIS 12 Cb 0.87 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.92 4.12 -0.46 -0.41 -1.94 -0.33 0.12 119.30 119.47 1xps s MET 13 Ca 0.00 -0.02 0.06 0.00 -1.71 0.00 0.00 55.69 54.02 1xps s MET 13 Cb 0.00 -3.38 0.20 0.00 2.01 0.00 0.00 34.83 33.65 1xps s MET 13 CO 0.00 0.35 0.59 -3.47 -0.01 0.00 0.00 175.02 172.48 1xps n ASP 14 N 3.27 -1.92 -0.07 3.03 2.03 -0.44 -4.85 116.55 117.59 1xps n ASP 14 Ca -0.14 -2.76 0.08 0.00 0.52 0.00 0.00 54.79 52.48 1xps n ASP 14 Cb 0.52 0.69 0.44 0.00 -0.72 0.00 0.00 41.12 42.04 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 2.53 0.21 0.12 1.67 7.64 -1.26 -3.64 113.62 120.89 1xps n SER 15 Ca 0.21 -1.55 0.13 0.00 1.01 0.00 0.00 58.87 58.67 1xps n SER 15 Cb 0.54 -0.02 0.40 0.00 -1.01 0.00 0.00 64.21 64.12 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 0.27 0.00 -4.46 6.43 4.64 -1.92 -3.45 113.55 115.05 1xps h SER 16 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1xps h SER 16 Cb 0.06 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.91 1xps h SER 16 CO 0.00 0.00 -0.71 0.28 -0.87 0.00 0.00 176.83 175.53 1xps s THR 17 N -3.12 0.12 -0.04 2.95 -1.32 -1.24 -5.04 115.64 107.95 1xps s THR 17 Ca 0.10 -0.56 0.24 0.00 -1.21 0.00 0.00 61.69 60.25 1xps s THR 17 Cb 0.12 -0.20 0.25 0.00 -1.51 0.00 0.00 72.50 71.15 1xps s THR 17 CO 0.59 -0.28 1.73 0.28 -2.21 0.00 0.00 174.62 174.73 1xps h SER 18 N 5.24 0.00 -4.90 8.08 0.02 -1.87 -3.44 113.55 116.68 1xps h SER 18 Ca -0.29 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1xps h SER 18 Cb 1.21 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.62 1xps h SER 18 CO 0.45 0.20 0.50 0.00 -1.14 0.00 0.00 176.83 176.84 1xps s ALA 19 N -3.43 -1.78 -0.15 3.77 0.00 -1.26 -4.82 121.76 114.08 1xps s ALA 19 Ca 0.03 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1xps s ALA 19 Cb 0.08 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1xps s ALA 19 CO 0.65 -0.82 1.70 0.00 0.00 0.00 0.00 175.76 177.29 1xps s ALA 20 N -3.15 3.35 -2.11 0.00 0.00 -1.26 -4.88 121.76 113.71 1xps s ALA 20 Ca 0.08 0.69 0.29 0.00 0.00 0.00 0.00 51.96 53.02 1xps s ALA 20 Cb -0.01 -3.84 1.25 0.00 0.00 0.00 0.00 23.12 20.52 1xps s ALA 20 CO -0.05 -1.83 1.86 -1.13 0.00 0.00 0.00 175.76 174.61 1xps n SER 21 N 8.27 0.88 -3.67 0.00 3.41 -1.26 -4.91 113.62 116.34 1xps n SER 21 Ca 0.19 -1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 57.59 1xps n SER 21 Cb 0.44 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1xps n SER 21 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xps s SER 22 N -2.16 -0.20 0.26 4.04 0.15 -1.26 -5.03 113.70 109.50 1xps s SER 22 Ca 0.37 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 56.90 1xps s SER 22 Cb 0.21 0.47 0.93 0.00 -1.71 0.00 0.00 66.02 65.91 1xps s SER 22 CO 0.40 -0.85 1.75 0.77 1.20 0.00 0.00 173.24 176.50 1xps h SER 23 N 2.39 0.00 0.16 5.45 4.64 -1.94 -3.02 113.55 121.24 1xps h SER 23 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1xps h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xps h SER 23 CO 0.47 0.00 -0.20 0.59 -0.87 0.00 0.00 176.83 176.82 1xps n ASN 24 N -2.31 1.24 -0.16 4.97 3.02 -1.26 -4.37 115.26 116.38 1xps n ASN 24 Ca 0.03 -1.09 -0.05 0.00 -0.03 0.00 0.00 54.58 53.44 1xps n ASN 24 Cb 0.31 0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 1xps n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xps h TYR 25 N 1.62 -0.76 -0.81 3.10 3.20 -1.93 -2.15 116.97 119.23 1xps h TYR 25 Ca 0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1xps h TYR 25 Cb 0.53 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1xps h TYR 25 CO 0.00 -0.35 0.39 0.00 -1.64 0.00 0.00 178.16 176.56 1xps h ASN 27 N 1.15 0.70 0.03 0.00 2.35 -1.70 -0.38 115.58 117.72 1xps h ASN 27 Ca 0.28 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1xps h ASN 27 Cb 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1xps h ASN 27 CO -0.04 0.60 -0.01 1.56 -1.65 0.00 0.00 177.43 177.89 1xps h GLN 28 N 0.77 -0.04 -0.63 0.81 4.20 -0.75 -3.32 115.11 116.15 1xps h GLN 28 Ca 0.19 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1xps h GLN 28 Cb 0.10 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1xps h GLN 28 CO -0.02 0.64 0.19 0.52 -0.67 0.00 0.00 178.83 179.49 1xps h MET 29 N -0.80 0.98 -0.76 1.46 2.86 -0.40 -2.28 114.93 115.98 1xps h MET 29 Ca -0.00 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1xps h MET 29 Cb 0.70 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 1xps h MET 29 CO 0.01 0.86 0.47 0.52 1.06 0.00 0.00 176.91 179.83 1xps h MET 30 N 0.90 0.86 0.05 1.72 2.86 -1.23 -1.30 114.93 118.81 1xps h MET 30 Ca 0.20 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1xps h MET 30 Cb 0.30 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1xps h MET 30 CO -0.01 0.57 -0.03 0.87 1.06 0.00 0.00 176.91 179.38 1xps h LYS 31 N 0.89 -0.07 0.00 1.72 1.57 -1.65 -1.41 116.57 117.63 1xps h LYS 31 Ca 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xps h LYS 31 Cb 0.09 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1xps h LYS 31 CO -0.14 0.49 -0.02 0.66 -0.57 0.00 0.00 179.45 179.86 1xps h SER 32 N -0.69 0.00 -0.47 0.86 4.64 -1.22 -1.60 113.55 115.07 1xps h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xps h SER 32 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1xps h SER 32 CO 0.01 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.54 1xps n ARG 33 N -3.84 2.30 -3.00 4.77 5.12 -0.51 -4.96 116.66 116.55 1xps n ARG 33 Ca -0.03 -2.00 -0.17 0.00 -1.93 0.00 0.00 57.85 53.72 1xps n ARG 33 Cb 0.11 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.15 -5.05 -0.91 0.55 5.15 -0.60 -4.83 115.26 110.72 1xps n ASN 34 Ca 0.19 -0.28 0.12 0.00 -0.60 0.00 0.00 54.58 54.01 1xps n ASN 34 Cb 0.50 -3.81 0.22 0.00 -0.53 0.00 0.00 39.78 36.16 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 -3.32 2.80 -0.32 1.20 4.77 -0.53 -3.95 117.00 117.64 1xps n LEU 35 Ca -0.05 -1.04 0.03 0.00 -0.03 0.00 0.00 56.01 54.92 1xps n LEU 35 Cb 0.57 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.66 1xps n LEU 35 CO 0.40 0.52 0.57 0.35 -1.33 0.00 0.00 177.39 177.89 1xps n THR 36 N 1.13 1.03 0.00 -5.08 -2.24 -1.25 -3.14 114.28 104.74 1xps n THR 36 Ca 0.16 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1xps n THR 36 Cb 0.54 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1xps n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xps n LYS 37 N -0.03 0.00 0.03 -0.78 4.76 -1.25 -4.02 118.16 116.87 1xps n LYS 37 Ca 0.06 0.67 0.05 0.00 -2.87 0.00 0.00 58.31 56.22 1xps n LYS 37 Cb 0.35 -1.48 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 1xps n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xps n ASP 38 N -2.31 0.57 -3.68 4.39 8.00 -1.26 -5.00 116.55 117.25 1xps n ASP 38 Ca 0.00 0.24 -0.06 0.00 0.71 0.00 0.00 54.79 55.67 1xps n ASP 38 Cb 0.00 0.75 -0.02 0.00 -0.02 0.00 0.00 41.12 41.83 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 -3.14 1.25 -0.46 -1.24 1.70 -1.26 -5.10 118.95 110.71 1xps s ARG 39 Ca -0.04 -0.63 -0.26 0.00 -0.47 0.00 0.00 55.73 54.33 1xps s ARG 39 Cb 0.10 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.97 1xps s ARG 39 CO 0.83 -0.57 0.95 0.00 -1.08 0.00 0.00 175.30 175.43 1xps n LYS 41 N 7.22 2.66 -0.10 0.00 4.81 -1.19 -4.88 118.16 126.68 1xps n LYS 41 Ca 0.07 0.97 -0.06 0.00 -0.87 0.00 0.00 58.31 58.42 1xps n LYS 41 Cb 0.49 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.68 1xps n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1xps h PRO 42 N 8.80 -0.12 -3.92 1.64 0.11 -1.94 -3.44 132.00 133.13 1xps h PRO 42 Ca -0.47 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1xps h PRO 42 Cb 1.24 0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.18 1xps h PRO 42 CO 0.94 -0.08 -0.62 0.08 -0.21 0.00 0.00 178.00 178.11 1xps s VAL 43 N -6.15 0.13 -0.26 3.15 1.01 -1.26 -2.30 120.40 114.72 1xps s VAL 43 Ca -0.14 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 1xps s VAL 43 Cb 0.14 -0.69 0.08 0.00 0.00 0.00 0.00 36.38 35.91 1xps s VAL 43 CO 0.70 -0.61 0.65 0.21 0.00 0.00 0.00 175.10 176.05 1xps s ASN 44 N -1.90 -0.86 -0.17 3.32 2.47 -0.12 -5.01 114.94 112.67 1xps s ASN 44 Ca -0.09 1.42 -0.04 0.00 0.42 0.00 0.00 52.86 54.57 1xps s ASN 44 Cb -0.04 1.30 -0.03 0.00 -1.45 0.00 0.00 41.25 41.04 1xps s ASN 44 CO -0.03 -0.23 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.20 1xps s THR 45 N 1.47 3.94 -0.14 -5.21 2.01 -1.26 -1.09 115.64 115.36 1xps s THR 45 Ca -0.09 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1xps s THR 45 Cb -0.05 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1xps s THR 45 CO -0.17 0.47 0.07 -0.36 -0.69 0.00 0.00 174.62 173.95 1xps s PHE 46 N 0.59 3.35 -0.18 4.92 0.08 -0.16 -4.48 117.98 122.09 1xps s PHE 46 Ca -0.02 0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.23 1xps s PHE 46 Cb -0.14 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1xps s PHE 46 CO 0.02 0.44 0.06 0.08 -0.10 0.00 0.00 175.22 175.73 1xps s VAL 47 N -0.44 4.79 -0.70 -0.44 1.01 0.12 -0.43 120.40 124.31 1xps s VAL 47 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1xps s VAL 47 Cb -0.12 -3.16 0.39 0.00 0.00 0.00 0.00 36.38 33.49 1xps s VAL 47 CO 0.02 0.46 1.79 1.41 0.00 0.00 0.00 175.10 178.78 1xps n HIS 48 N 3.58 3.10 -4.51 5.22 -0.00 0.07 -1.33 115.22 121.35 1xps n HIS 48 Ca -0.16 -2.60 -0.24 0.00 -0.00 0.00 0.00 57.72 54.71 1xps n HIS 48 Cb 0.52 -0.96 -0.11 0.00 -0.00 0.00 0.00 29.99 29.45 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 -3.90 1.74 0.68 -0.41 0.41 -1.26 -4.72 118.70 111.25 1xps s GLU 49 Ca 0.53 -1.91 -0.16 0.00 -0.41 0.00 0.00 54.97 53.02 1xps s GLU 49 Cb 0.44 -1.47 0.01 0.00 -1.78 0.00 0.00 34.13 31.34 1xps s GLU 49 CO -0.27 0.06 1.21 -1.54 -0.49 0.00 0.00 175.26 174.22 1xps s SER 50 N -3.56 4.55 0.26 -0.19 1.04 -1.26 -4.29 113.70 110.24 1xps s SER 50 Ca 0.32 2.36 -0.04 0.00 0.48 0.00 0.00 55.95 59.08 1xps s SER 50 Cb 0.04 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.94 1xps s SER 50 CO 0.15 -2.03 1.88 0.25 0.98 0.00 0.00 173.24 174.48 1xps h LEU 51 N 0.09 1.01 -1.16 2.42 5.85 -1.98 -2.31 115.31 119.23 1xps h LEU 51 Ca -0.49 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1xps h LEU 51 Cb 1.30 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1xps h LEU 51 CO 0.52 0.66 0.25 0.00 -0.34 0.00 0.00 178.44 179.52 1xps h ALA 52 N 1.43 1.34 0.00 1.25 0.00 -1.99 -0.48 119.26 120.81 1xps h ALA 52 Ca 0.41 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1xps h ALA 52 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xps h ALA 52 CO -0.16 0.50 -0.43 -0.44 0.00 0.00 0.00 179.25 178.72 1xps h ASP 53 N 0.83 0.00 0.38 0.00 5.19 -1.80 -2.17 116.42 118.86 1xps h ASP 53 Ca 0.20 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.29 1xps h ASP 53 Cb 0.14 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.66 1xps h ASP 53 CO -0.02 0.43 -1.52 0.58 -3.12 0.00 0.00 179.24 175.59 1xps h VAL 54 N 0.00 1.20 -0.04 -1.35 2.07 -0.97 -3.30 116.25 113.86 1xps h VAL 54 Ca -0.00 -2.76 -0.06 0.00 0.82 0.00 0.00 66.70 64.69 1xps h VAL 54 Cb 0.84 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 1xps h VAL 54 CO 0.06 0.84 -0.27 1.56 0.02 0.00 0.00 177.57 179.77 1xps h GLN 55 N 0.10 0.06 0.00 1.57 4.20 -1.02 -1.91 115.11 118.11 1xps h GLN 55 Ca -0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1xps h GLN 55 Cb 2.07 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.84 1xps h GLN 55 CO 0.20 0.33 -0.03 0.00 -0.67 0.00 0.00 178.83 178.67 1xps h ALA 56 N 1.67 1.09 0.00 3.87 0.00 -1.47 -2.47 119.26 121.95 1xps h ALA 56 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xps h ALA 56 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xps h ALA 56 CO 0.04 0.03 -0.02 0.28 0.00 0.00 0.00 179.25 179.58 1xps h VAL 57 N 0.00 0.24 0.00 0.00 2.07 -1.44 -1.80 116.25 115.31 1xps h VAL 57 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xps h VAL 57 Cb 0.22 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xps h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1xps n SER 59 N -1.32 2.35 0.00 0.00 7.64 -0.68 -5.03 113.62 116.59 1xps n SER 59 Ca 0.06 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1xps n SER 59 Cb 0.11 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1xps n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xps n GLN 60 N -1.07 1.45 -2.21 1.43 6.02 0.10 -5.03 117.38 118.07 1xps n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1xps n GLN 60 Cb 0.54 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.78 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 4.48 3.89 -0.11 -1.09 2.20 -0.91 -4.86 119.74 123.35 1xps s LYS 61 Ca 0.00 1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.91 1xps s LYS 61 Cb 0.00 -3.97 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 1xps s LYS 61 CO 0.00 -1.16 1.51 -0.80 -0.36 0.00 0.00 175.35 174.53 1xps s ASN 62 N 3.59 6.75 0.18 1.43 0.01 -1.26 -0.05 114.94 125.58 1xps s ASN 62 Ca 0.66 1.99 -0.01 0.00 -0.71 0.00 0.00 52.86 54.79 1xps s ASN 62 Cb -0.23 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 38.85 1xps s ASN 62 CO 0.26 -0.89 0.09 0.68 -1.51 0.00 0.00 177.10 175.73 1xps s VAL 63 N 3.93 0.15 0.12 1.60 -7.23 -0.91 -4.93 120.40 113.13 1xps s VAL 63 Ca 0.66 -1.97 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1xps s VAL 63 Cb -0.28 -2.32 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 1xps s VAL 63 CO 0.24 -0.21 0.49 0.00 -0.31 0.00 0.00 175.10 175.31 1xps s ALA 64 N -4.04 3.64 0.73 1.32 0.00 -1.26 -3.49 121.76 118.66 1xps s ALA 64 Ca 0.32 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1xps s ALA 64 Cb 0.07 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.80 1xps s ALA 64 CO 0.08 0.50 1.11 0.00 0.00 0.00 0.00 175.76 177.45 1xps h LYS 66 N -0.74 1.02 0.00 0.00 1.57 -1.91 -2.31 116.57 114.19 1xps h LYS 66 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1xps h LYS 66 Cb 1.28 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xps h LYS 66 CO 0.64 0.67 0.00 0.27 -0.57 0.00 0.00 179.45 180.47 1xps n ASN 67 N -4.48 0.00 0.00 0.86 6.94 -1.26 -4.88 115.26 112.44 1xps n ASN 67 Ca 0.13 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.26 1xps n ASN 67 Cb 0.17 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1xps n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xps n GLY 68 N 0.66 0.87 3.77 4.83 0.00 -0.87 -5.05 105.19 109.40 1xps n GLY 68 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.70 3.02 0.00 1.61 -0.21 -1.26 -4.81 119.66 117.31 1xps s GLN 69 Ca 0.00 1.57 0.09 0.00 0.02 0.00 0.00 55.36 57.04 1xps s GLN 69 Cb 0.00 -1.96 0.07 0.00 1.00 0.00 0.00 33.01 32.11 1xps s GLN 69 CO 0.00 -1.11 0.77 0.25 -2.12 0.00 0.00 175.29 173.09 1xps n THR 70 N -1.84 0.00 -1.09 -0.19 -2.24 -1.26 -0.65 114.28 107.01 1xps n THR 70 Ca 0.12 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 1xps n THR 70 Cb 0.51 1.18 0.04 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 0.49 6.85 -4.79 3.42 6.94 -1.26 -4.75 115.26 122.16 1xps n ASN 71 Ca 0.05 -3.30 -0.24 0.00 -0.02 0.00 0.00 54.58 51.07 1xps n ASN 71 Cb 0.22 -1.05 -0.05 0.00 -2.36 0.00 0.00 39.78 36.53 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 -1.98 0.14 -0.11 0.00 1.51 0.82 -2.14 117.35 115.58 1xps s TYR 73 Ca 0.32 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1xps s TYR 73 Cb -0.09 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.64 1xps s TYR 73 CO 0.23 -0.16 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.24 1xps s GLN 74 N -1.02 3.15 0.50 -0.62 0.74 0.93 -1.35 119.66 121.99 1xps s GLN 74 Ca -0.11 -0.69 -0.23 0.00 0.05 0.00 0.00 55.36 54.38 1xps s GLN 74 Cb -0.07 -2.56 -0.07 0.00 1.10 0.00 0.00 33.01 31.41 1xps s GLN 74 CO -0.00 0.32 1.33 -1.13 -0.55 0.00 0.00 175.29 175.25 1xps n SER 75 N 3.20 2.66 -0.06 6.67 3.41 -0.68 -2.14 113.62 126.68 1xps n SER 75 Ca -0.18 1.03 -0.04 0.00 -0.26 0.00 0.00 58.87 59.42 1xps n SER 75 Cb 0.53 -1.55 0.18 0.00 -0.26 0.00 0.00 64.21 63.10 1xps n SER 75 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1xps h TYR 76 N 1.72 0.74 -0.66 7.33 0.05 -1.94 -3.45 116.97 120.76 1xps h TYR 76 Ca -0.50 -0.12 -0.67 0.00 0.05 0.00 0.00 58.73 57.49 1xps h TYR 76 Cb 1.30 -0.20 -0.13 0.00 1.01 0.00 0.00 36.73 38.71 1xps h TYR 76 CO 0.46 0.75 -0.53 -1.54 -1.05 0.00 0.00 178.16 176.25 1xps s SER 77 N -6.71 4.04 0.65 3.88 1.04 -1.26 -5.09 113.70 110.25 1xps s SER 77 Ca -0.09 -1.61 -0.14 0.00 0.48 0.00 0.00 55.95 54.60 1xps s SER 77 Cb 0.14 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1xps s SER 77 CO 0.80 -0.79 1.07 0.42 0.98 0.00 0.00 173.24 175.73 1xps s THR 78 N -2.86 3.76 0.06 2.02 -4.23 -1.26 -4.47 115.64 108.66 1xps s THR 78 Ca 0.11 0.72 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1xps s THR 78 Cb 0.03 -3.31 -0.03 0.00 1.34 0.00 0.00 72.50 70.54 1xps s THR 78 CO 0.06 -0.61 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.39 1xps s MET 79 N -4.47 0.67 -0.13 3.99 -1.94 -0.08 -4.90 119.30 112.44 1xps s MET 79 Ca 0.62 -0.88 -0.29 0.00 -1.71 0.00 0.00 55.69 53.42 1xps s MET 79 Cb -0.16 -0.49 -0.02 0.00 2.01 0.00 0.00 34.83 36.17 1xps s MET 79 CO 0.45 0.09 1.22 0.45 -0.01 0.00 0.00 175.02 177.22 1xps s SER 80 N -1.77 7.00 0.19 3.03 0.15 -1.26 -2.39 113.70 118.65 1xps s SER 80 Ca -0.05 1.71 0.03 0.00 0.70 0.00 0.00 55.95 58.34 1xps s SER 80 Cb -0.09 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1xps s SER 80 CO 0.01 -0.68 -0.02 0.27 1.20 0.00 0.00 173.24 174.02 1xps s ILE 81 N 2.97 0.88 -0.11 6.45 -4.36 -0.37 -0.75 121.20 125.92 1xps s ILE 81 Ca 0.54 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 1xps s ILE 81 Cb -0.22 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.35 1xps s ILE 81 CO 0.17 -0.47 -0.12 -0.89 0.24 0.00 0.00 174.94 173.87 1xps s THR 82 N -3.52 1.30 -0.26 8.37 2.01 0.43 -2.12 115.64 121.85 1xps s THR 82 Ca 0.24 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1xps s THR 82 Cb 0.05 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1xps s THR 82 CO 0.05 0.41 0.39 -0.62 -0.69 0.00 0.00 174.62 174.16 1xps s ASP 83 N 1.26 6.29 -0.21 3.53 -1.08 0.11 -0.99 116.67 125.57 1xps s ASP 83 Ca -0.02 0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 52.31 1xps s ASP 83 Cb -0.14 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.09 1xps s ASP 83 CO -0.05 -0.19 -0.05 0.00 0.52 0.00 0.00 175.17 175.40 1xps s ARG 85 N 1.35 0.14 0.30 0.00 1.70 -1.04 -0.94 118.95 120.46 1xps s ARG 85 Ca 0.04 -0.08 -0.28 0.00 -0.47 0.00 0.00 55.73 54.94 1xps s ARG 85 Cb -0.14 -0.13 -0.14 0.00 -0.57 0.00 0.00 34.95 33.97 1xps s ARG 85 CO -0.03 0.03 1.09 0.39 -1.08 0.00 0.00 175.30 175.71 1xps n GLU 86 N 2.99 1.54 -2.94 3.89 1.02 -0.97 -0.60 120.64 125.57 1xps n GLU 86 Ca -0.13 0.54 -0.20 0.00 -0.02 0.00 0.00 57.16 57.36 1xps n GLU 86 Cb 0.59 -1.97 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.01 2.38 0.41 2.62 -4.23 -0.98 -4.76 115.64 110.06 1xps s THR 87 Ca 0.58 -0.92 0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1xps s THR 87 Cb -0.67 -2.46 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1xps s THR 87 CO 0.60 0.00 1.92 1.23 -0.54 0.00 0.00 174.62 177.83 1xps h GLY 88 N 0.17 0.01 1.05 3.99 0.00 -1.96 -2.74 103.07 103.60 1xps h GLY 88 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xps h GLY 88 CO 0.42 0.01 -0.12 1.44 0.00 0.00 0.00 176.54 178.29 1xps n SER 89 N -4.23 0.39 -4.75 0.19 7.64 -1.26 -4.87 113.62 106.73 1xps n SER 89 Ca -0.02 -0.44 -0.41 0.00 1.01 0.00 0.00 58.87 59.01 1xps n SER 89 Cb 0.31 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1xps n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1xps s SER 90 N -2.55 6.81 -0.30 6.43 0.15 -1.04 -4.86 113.70 118.34 1xps s SER 90 Ca 0.27 2.57 -0.04 0.00 0.70 0.00 0.00 55.95 59.45 1xps s SER 90 Cb 0.20 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 1xps s SER 90 CO 0.49 -0.55 0.63 -0.75 1.20 0.00 0.00 173.24 174.26 1xps s LYS 91 N -0.92 0.56 0.19 5.44 2.47 -1.05 -4.89 119.74 121.54 1xps s LYS 91 Ca 0.53 1.10 -0.32 0.00 -1.56 0.00 0.00 55.97 55.72 1xps s LYS 91 Cb -0.39 0.63 -0.16 0.00 -1.46 0.00 0.00 37.83 36.45 1xps s LYS 91 CO 0.45 -0.50 1.05 0.98 0.16 0.00 0.00 175.35 177.49 1xps n TYR 92 N 5.43 1.03 1.82 4.03 9.36 -1.26 -0.24 117.16 137.33 1xps n TYR 92 Ca -0.04 0.74 0.15 0.00 3.32 0.00 0.00 57.90 62.08 1xps n TYR 92 Cb 0.51 -2.22 0.84 0.00 -0.63 0.00 0.00 39.34 37.83 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 1.45 1.02 -2.48 2.98 -0.04 -1.26 -4.98 135.00 131.69 1xps n PRO 93 Ca 0.15 -0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 1xps n PRO 93 Cb 0.25 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.85 5.40 -4.74 3.54 3.02 0.67 -5.01 115.26 117.30 1xps n ASN 94 Ca 0.22 -3.18 -0.42 0.00 -0.03 0.00 0.00 54.58 51.17 1xps n ASN 94 Cb 0.17 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 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 0.28 1.27 0.05 0.00 0.00 -1.26 -4.93 121.76 117.17 1xps s ALA 96 Ca 0.60 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1xps s ALA 96 Cb -0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1xps s ALA 96 CO 0.39 0.29 -0.07 0.71 0.00 0.00 0.00 175.76 177.08 1xps s TYR 97 N -0.54 0.62 -0.08 0.00 1.51 -1.26 -2.31 117.35 115.29 1xps s TYR 97 Ca 0.05 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 1xps s TYR 97 Cb -0.07 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.37 1xps s TYR 97 CO 0.00 -0.12 0.03 -1.59 -1.11 0.00 0.00 175.55 172.76 1xps s LYS 98 N -1.90 3.05 -0.28 -0.62 0.00 0.23 -4.56 119.74 115.66 1xps s LYS 98 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 55.97 55.39 1xps s LYS 98 Cb -0.08 -2.85 -0.05 0.00 0.00 0.00 0.00 37.83 34.85 1xps s LYS 98 CO -0.01 0.70 0.20 0.99 0.00 0.00 0.00 175.35 177.23 1xps s THR 99 N -0.95 5.30 -0.15 3.79 2.01 -1.26 -2.50 115.64 121.89 1xps s THR 99 Ca 0.15 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1xps s THR 99 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1xps s THR 99 CO 0.04 0.25 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.17 1xps s THR 100 N 1.77 1.68 0.18 -0.82 2.01 -0.40 -4.99 115.64 115.07 1xps s THR 100 Ca 0.07 -0.71 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 1xps s THR 100 Cb -0.16 -1.55 -0.08 0.00 0.01 0.00 0.00 72.50 70.72 1xps s THR 100 CO 0.11 0.48 0.73 -1.10 -0.69 0.00 0.00 174.62 174.14 1xps s GLN 101 N 1.34 4.39 0.21 4.92 -0.21 -1.26 -0.71 119.66 128.34 1xps s GLN 101 Ca 0.03 0.98 -0.18 0.00 0.02 0.00 0.00 55.36 56.21 1xps s GLN 101 Cb -0.13 -3.10 0.03 0.00 1.00 0.00 0.00 33.01 30.80 1xps s GLN 101 CO -0.09 0.51 0.57 0.00 -2.12 0.00 0.00 175.29 174.15 1xps s ALA 102 N -1.29 -1.00 -0.33 6.09 0.00 -0.90 -4.96 121.76 119.38 1xps s ALA 102 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1xps s ALA 102 Cb -0.20 0.87 0.10 0.00 0.00 0.00 0.00 23.12 23.90 1xps s ALA 102 CO 0.23 -0.85 0.10 -0.80 0.00 0.00 0.00 175.76 174.44 1xps s ASN 103 N -2.88 4.10 0.16 0.00 -0.87 -1.26 -1.24 114.94 112.95 1xps s ASN 103 Ca 0.10 -1.80 0.00 0.00 -1.57 0.00 0.00 52.86 49.59 1xps s ASN 103 Cb -0.02 -0.99 -0.04 0.00 -0.02 0.00 0.00 41.25 40.18 1xps s ASN 103 CO -0.01 -0.40 0.03 -0.54 -2.57 0.00 0.00 177.10 173.62 1xps s LYS 104 N 1.41 1.04 0.46 -0.60 1.02 -1.01 -4.81 119.74 117.25 1xps s LYS 104 Ca 0.11 -1.50 -0.20 0.00 0.02 0.00 0.00 55.97 54.39 1xps s LYS 104 Cb -0.18 -0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.00 1xps s LYS 104 CO -0.21 -0.20 0.97 -1.01 -0.92 0.00 0.00 175.35 173.99 1xps s HIS 105 N -3.84 3.26 0.15 3.18 3.76 -1.26 -0.91 115.29 119.62 1xps s HIS 105 Ca 0.25 1.58 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 1xps s HIS 105 Cb 0.07 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1xps s HIS 105 CO 0.04 -0.30 -0.17 0.96 -0.85 0.00 0.00 174.74 174.41 1xps s ILE 106 N -2.20 2.83 -0.08 0.60 -4.36 -1.26 -0.65 121.20 116.08 1xps s ILE 106 Ca 0.63 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 59.41 1xps s ILE 106 Cb -0.11 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.27 1xps s ILE 106 CO 0.17 0.01 -0.18 -0.63 0.24 0.00 0.00 174.94 174.55 1xps s ILE 107 N -1.38 1.56 0.06 8.37 1.01 0.40 -1.68 121.20 129.54 1xps s ILE 107 Ca 0.20 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1xps s ILE 107 Cb -0.10 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1xps s ILE 107 CO 0.11 0.45 -0.05 0.68 0.00 0.00 0.00 174.94 176.13 1xps s VAL 108 N 0.44 0.39 -0.11 2.92 -7.23 -0.46 -0.24 120.40 116.12 1xps s VAL 108 Ca -0.15 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 1xps s VAL 108 Cb -0.16 -1.24 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 1xps s VAL 108 CO 0.06 -0.80 0.17 0.00 -0.31 0.00 0.00 175.10 174.22 1xps s ALA 109 N -3.08 3.86 0.08 1.32 0.00 -0.57 -0.13 121.76 123.24 1xps s ALA 109 Ca 0.02 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.48 1xps s ALA 109 Cb 0.02 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 1xps s ALA 109 CO -0.06 0.60 -0.26 0.00 0.00 0.00 0.00 175.76 176.04 1xps s GLU 111 N -1.63 1.31 0.07 0.00 2.02 -0.47 -4.90 118.70 115.10 1xps s GLU 111 Ca 0.13 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1xps s GLU 111 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1xps s GLU 111 CO 0.04 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1xps n GLY 112 N -0.30 -2.36 2.65 -1.39 0.00 -1.26 -1.96 105.19 100.56 1xps n GLY 112 Ca -0.09 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.06 3.26 0.50 1.61 3.04 -1.26 -2.44 114.94 117.60 1xps s ASN 113 Ca 0.00 -1.12 -0.23 0.00 0.04 0.00 0.00 52.86 51.55 1xps s ASN 113 Cb 0.00 -0.52 -0.07 0.00 -1.54 0.00 0.00 41.25 39.13 1xps s ASN 113 CO 0.00 -0.38 1.38 -2.84 -3.04 0.00 0.00 177.10 172.22 1xps s PRO 114 N 1.93 3.42 -0.59 0.43 0.02 -1.26 -5.09 135.00 133.86 1xps s PRO 114 Ca 0.05 2.30 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 1xps s PRO 114 Cb -0.17 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 31.94 1xps s PRO 114 CO -0.21 -0.98 1.05 -0.47 -0.33 0.00 0.00 177.00 176.05 1xps s TYR 115 N -1.26 2.68 0.20 6.54 5.04 -1.02 -4.89 117.35 124.64 1xps s TYR 115 Ca 0.66 0.05 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1xps s TYR 115 Cb -0.41 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.58 1xps s TYR 115 CO 0.51 -1.52 0.04 0.14 -1.34 0.00 0.00 175.55 173.38 1xps s VAL 116 N 4.42 0.62 0.27 3.14 -7.23 -0.83 -4.89 120.40 115.90 1xps s VAL 116 Ca 0.33 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 1xps s VAL 116 Cb -0.11 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 1xps s VAL 116 CO 0.20 -0.29 1.31 -2.84 -0.31 0.00 0.00 175.10 173.16 1xps s PRO 117 N -3.96 4.38 0.00 4.82 0.02 -1.26 -1.37 135.00 137.62 1xps s PRO 117 Ca 0.29 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.46 1xps s PRO 117 Cb 0.07 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1xps s PRO 117 CO 0.08 -0.21 0.51 1.33 -0.33 0.00 0.00 177.00 178.38 1xps n VAL 118 N 1.62 0.26 -3.64 3.83 0.24 -0.65 -4.50 118.33 115.49 1xps n VAL 118 Ca 0.03 -0.35 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1xps n VAL 118 Cb 0.42 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.26 -0.78 -0.33 6.34 5.65 -1.22 -4.76 115.29 119.94 1xps s HIS 119 Ca 0.00 1.59 -0.14 0.00 0.25 0.00 0.00 55.06 56.75 1xps s HIS 119 Cb 0.00 0.46 -0.02 0.00 -1.18 0.00 0.00 32.58 31.85 1xps s HIS 119 CO 0.00 -0.39 0.33 0.12 -0.65 0.00 0.00 174.74 174.16 1xps s PHE 120 N 1.37 3.22 -0.09 3.88 2.19 -1.26 -1.52 117.98 125.77 1xps s PHE 120 Ca -0.08 -0.00 0.00 0.00 0.33 0.00 0.00 56.93 57.18 1xps s PHE 120 Cb -0.04 -2.61 -0.25 0.00 -1.31 0.00 0.00 43.02 38.81 1xps s PHE 120 CO -0.16 -0.38 0.50 0.22 1.83 0.00 0.00 175.22 177.23 1xps h ASP 121 N 8.43 0.27 0.00 6.13 3.58 -0.96 -3.49 116.42 130.38 1xps h ASP 121 Ca -0.31 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1xps h ASP 121 Cb 1.15 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1xps h ASP 121 CO 0.67 1.53 0.00 0.00 -2.88 0.00 0.00 179.24 178.56 1xps n ALA 122 N -2.82 0.00 -3.14 -0.78 0.00 -1.16 -4.92 120.51 107.70 1xps n ALA 122 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 1xps n ALA 122 Cb 1.05 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.34 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 0.00 2.21 0.00 0.00 1.04 -1.26 -0.45 113.70 115.24 1xps s SER 123 Ca 0.00 -0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1xps s SER 123 Cb 0.00 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.31 1xps s SER 123 CO 0.00 0.12 0.55 1.33 0.98 0.00 0.00 173.24 176.21