#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpt s GLU 2 N 0.00 4.20 0.75 1.64 2.12 -1.26 -5.07 118.70 121.08 1xpt s GLU 2 Ca 0.00 0.51 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 1xpt s GLU 2 Cb 0.00 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.86 1xpt s GLU 2 CO 0.00 -0.19 1.08 0.95 -0.54 0.00 0.00 175.26 176.56 1xpt s THR 3 N 1.76 3.56 0.32 -1.70 -4.23 -1.26 -4.84 115.64 109.26 1xpt s THR 3 Ca 0.26 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 1xpt s THR 3 Cb -0.16 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.83 1xpt s THR 3 CO 0.10 -0.66 1.98 0.00 -0.54 0.00 0.00 174.62 175.49 1xpt h ALA 4 N -0.99 1.46 -0.69 3.99 0.00 -1.97 -0.63 119.26 120.43 1xpt h ALA 4 Ca -0.44 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1xpt h ALA 4 Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1xpt h ALA 4 CO 0.54 0.48 0.15 0.00 0.00 0.00 0.00 179.25 180.42 1xpt h ALA 5 N 1.53 0.95 -0.22 0.00 0.00 -1.89 -1.87 119.26 117.76 1xpt h ALA 5 Ca 0.25 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1xpt h ALA 5 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xpt h ALA 5 CO -0.05 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 1xpt h ALA 6 N 1.09 0.75 -0.18 0.00 0.00 -1.72 -2.97 119.26 116.23 1xpt h ALA 6 Ca 0.22 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1xpt h ALA 6 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xpt h ALA 6 CO 0.01 0.67 -0.36 -0.22 0.00 0.00 0.00 179.25 179.34 1xpt h LYS 7 N 0.47 0.38 -0.35 0.00 3.64 -0.96 -2.22 116.57 117.53 1xpt h LYS 7 Ca 0.02 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1xpt h LYS 7 Cb 1.01 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1xpt h LYS 7 CO 0.09 0.70 0.12 0.35 -2.27 0.00 0.00 179.45 178.45 1xpt h PHE 8 N 0.33 0.55 -0.65 1.91 3.04 -1.23 -1.16 116.94 119.72 1xpt h PHE 8 Ca 0.04 -0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 1xpt h PHE 8 Cb 0.79 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 1xpt h PHE 8 CO 0.02 0.53 0.32 0.93 -2.02 0.00 0.00 178.31 178.09 1xpt h GLU 9 N 0.42 0.92 -0.17 1.11 5.08 -1.36 0.96 114.58 121.54 1xpt h GLU 9 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1xpt h GLU 9 Cb 0.22 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xpt h GLU 9 CO -0.01 0.70 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.48 1xpt h ARG 10 N 0.92 0.39 0.00 2.33 2.43 -1.20 -1.98 114.38 117.26 1xpt h ARG 10 Ca 0.23 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1xpt h ARG 10 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1xpt h ARG 10 CO -0.03 0.73 -0.63 1.96 -1.51 0.00 0.00 179.97 180.49 1xpt h GLN 11 N 0.04 0.00 0.00 0.20 4.20 -1.04 -3.41 115.11 115.10 1xpt h GLN 11 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1xpt h GLN 11 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1xpt h GLN 11 CO 0.03 0.63 -0.39 0.72 -0.67 0.00 0.00 178.83 179.15 1xpt n HIS 12 N -3.57 0.00 -3.49 2.96 8.25 0.32 -4.75 115.22 114.93 1xpt n HIS 12 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1xpt n HIS 12 Cb 0.68 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.72 1xpt n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1xpt s MET 13 N -1.13 4.19 -0.44 -0.41 -1.94 -0.75 -0.38 119.30 118.44 1xpt s MET 13 Ca 0.00 0.22 0.06 0.00 -1.71 0.00 0.00 55.69 54.26 1xpt s MET 13 Cb 0.00 -3.39 0.19 0.00 2.01 0.00 0.00 34.83 33.65 1xpt s MET 13 CO 0.00 0.31 0.52 -3.47 -0.01 0.00 0.00 175.02 172.37 1xpt n ASP 14 N 3.26 -1.39 0.00 3.03 2.03 -0.73 -4.88 116.55 117.87 1xpt n ASP 14 Ca -0.11 -2.64 0.12 0.00 0.52 0.00 0.00 54.79 52.68 1xpt n ASP 14 Cb 0.52 0.25 0.72 0.00 -0.72 0.00 0.00 41.12 41.89 1xpt n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xpt n SER 15 N 2.56 0.00 -0.14 1.67 7.64 -1.26 -3.89 113.62 120.20 1xpt n SER 15 Ca 0.24 -0.64 0.14 0.00 1.01 0.00 0.00 58.87 59.62 1xpt n SER 15 Cb 0.52 -0.06 0.61 0.00 -1.01 0.00 0.00 64.21 64.27 1xpt n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xpt n SER 16 N -1.06 0.54 -4.10 6.43 3.41 -1.26 -4.81 113.62 112.78 1xpt n SER 16 Ca 0.17 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 58.00 1xpt n SER 16 Cb 0.11 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 1xpt n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1xpt s THR 17 N -2.42 0.46 -0.22 6.66 -4.23 -1.25 -5.03 115.64 109.61 1xpt s THR 17 Ca 0.30 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1xpt s THR 17 Cb 0.20 -1.18 0.07 0.00 1.34 0.00 0.00 72.50 72.93 1xpt s THR 17 CO 0.46 -0.73 1.27 0.77 -0.54 0.00 0.00 174.62 175.86 1xpt h SER 18 N 3.63 0.00 -5.49 3.99 4.64 -1.89 -3.45 113.55 114.98 1xpt h SER 18 Ca -0.35 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1xpt h SER 18 Cb 1.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1xpt h SER 18 CO 0.56 0.32 0.62 0.00 -0.87 0.00 0.00 176.83 177.46 1xpt s ALA 19 N -3.08 -1.81 -0.01 5.18 0.00 -1.26 -4.86 121.76 115.92 1xpt s ALA 19 Ca 0.02 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 1xpt s ALA 19 Cb 0.08 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.77 1xpt s ALA 19 CO 0.75 -1.06 1.74 0.00 0.00 0.00 0.00 175.76 177.19 1xpt s ALA 20 N -2.65 3.62 0.37 0.00 0.00 -1.26 -4.91 121.76 116.93 1xpt s ALA 20 Ca 0.17 1.09 0.13 0.00 0.00 0.00 0.00 51.96 53.35 1xpt s ALA 20 Cb -0.00 -3.76 0.71 0.00 0.00 0.00 0.00 23.12 20.06 1xpt s ALA 20 CO 0.02 -1.39 1.82 0.66 0.00 0.00 0.00 175.76 176.87 1xpt h SER 21 N 9.61 0.00 -5.19 0.00 4.64 -2.00 -3.47 113.55 117.15 1xpt h SER 21 Ca -0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 1xpt h SER 21 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1xpt h SER 21 CO 0.95 0.38 0.04 -0.94 -0.87 0.00 0.00 176.83 176.39 1xpt s SER 22 N -6.93 0.12 0.00 4.97 1.04 -1.26 -5.03 113.70 106.61 1xpt s SER 22 Ca -0.03 -1.05 0.22 0.00 0.48 0.00 0.00 55.95 55.58 1xpt s SER 22 Cb 0.14 0.71 1.22 0.00 0.10 0.00 0.00 66.02 68.19 1xpt s SER 22 CO 0.73 -1.37 1.71 -1.54 0.98 0.00 0.00 173.24 173.75 1xpt n SER 23 N -0.91 0.00 -0.94 7.02 3.41 -1.26 -1.91 113.62 119.03 1xpt n SER 23 Ca -0.03 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.33 1xpt n SER 23 Cb 0.61 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1xpt n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xpt n ASN 24 N -1.15 2.97 -0.03 4.04 3.02 -1.26 -4.30 115.26 118.56 1xpt n ASN 24 Ca 0.14 -1.95 -0.09 0.00 -0.03 0.00 0.00 54.58 52.64 1xpt n ASN 24 Cb 0.13 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1xpt n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xpt h TYR 25 N 4.44 -0.81 -0.30 3.10 3.20 -1.79 -2.55 116.97 122.26 1xpt h TYR 25 Ca 0.00 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1xpt h TYR 25 Cb 0.95 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 1xpt h TYR 25 CO 0.04 -0.37 0.15 0.00 -1.64 0.00 0.00 178.16 176.34 1xpt h ASN 27 N 0.32 0.25 -0.06 0.00 2.35 -1.78 0.11 115.58 116.77 1xpt h ASN 27 Ca 0.12 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1xpt h ASN 27 Cb 0.03 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1xpt h ASN 27 CO -0.08 0.13 -0.04 1.56 -1.65 0.00 0.00 177.43 177.36 1xpt h GLN 28 N 0.43 0.13 -0.22 0.81 4.20 -1.21 -3.13 115.11 116.12 1xpt h GLN 28 Ca 0.34 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.84 1xpt h GLN 28 Cb 0.44 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1xpt h GLN 28 CO -0.33 0.53 -0.48 0.52 -0.67 0.00 0.00 178.83 178.40 1xpt h MET 29 N -0.27 0.60 -0.77 1.46 2.86 -0.82 -1.33 114.93 116.66 1xpt h MET 29 Ca 0.01 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1xpt h MET 29 Cb 0.49 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1xpt h MET 29 CO 0.01 0.95 0.41 0.52 1.06 0.00 0.00 176.91 179.85 1xpt h MET 30 N 0.47 1.08 -0.04 1.72 2.86 -0.91 -1.30 114.93 118.81 1xpt h MET 30 Ca 0.02 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1xpt h MET 30 Cb 1.01 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1xpt h MET 30 CO 0.09 0.81 -0.03 -0.22 1.06 0.00 0.00 176.91 178.63 1xpt h LYS 31 N 1.07 0.09 0.00 1.72 3.64 -1.50 -1.07 116.57 120.52 1xpt h LYS 31 Ca 0.27 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1xpt h LYS 31 Cb 0.06 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1xpt h LYS 31 CO -0.04 0.51 -0.13 0.66 -2.27 0.00 0.00 179.45 178.18 1xpt h SER 32 N -0.33 0.00 -0.32 4.20 4.64 -1.10 -2.36 113.55 118.28 1xpt h SER 32 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xpt h SER 32 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1xpt h SER 32 CO 0.01 0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.64 1xpt n ARG 33 N -3.34 1.85 -2.04 4.77 5.12 -0.50 -4.92 116.66 117.60 1xpt n ARG 33 Ca -0.00 -1.30 -0.14 0.00 -1.93 0.00 0.00 57.85 54.48 1xpt n ARG 33 Cb 0.35 -1.33 -0.02 0.00 -1.16 0.00 0.00 32.46 30.30 1xpt n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1xpt n ASN 34 N 0.54 -4.31 -0.16 0.55 2.85 -0.89 -4.87 115.26 108.98 1xpt n ASN 34 Ca 0.14 0.08 0.14 0.00 -0.11 0.00 0.00 54.58 54.82 1xpt n ASN 34 Cb 0.33 -3.36 0.51 0.00 1.24 0.00 0.00 39.78 38.49 1xpt n ASN 34 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1xpt n LEU 35 N -1.84 0.67 -0.32 1.20 4.77 -0.41 -3.48 117.00 117.58 1xpt n LEU 35 Ca -0.15 -0.08 0.06 0.00 -0.03 0.00 0.00 56.01 55.81 1xpt n LEU 35 Cb 0.58 -0.17 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 1xpt n LEU 35 CO 0.19 0.13 0.59 0.35 -1.33 0.00 0.00 177.39 177.32 1xpt n THR 36 N -0.88 1.58 0.34 -5.08 -2.24 -1.22 -3.12 114.28 103.65 1xpt n THR 36 Ca 0.13 -1.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.11 1xpt n THR 36 Cb 0.31 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1xpt n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xpt h LYS 37 N 0.73 -1.04 -0.00 -0.78 3.64 -1.90 -3.34 116.57 113.89 1xpt h LYS 37 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1xpt h LYS 37 Cb 0.91 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xpt h LYS 37 CO 0.05 -0.69 -0.32 -0.25 -2.27 0.00 0.00 179.45 175.97 1xpt n ASP 38 N -5.59 0.77 -3.47 4.20 8.00 -1.26 -5.03 116.55 114.17 1xpt n ASP 38 Ca -0.13 -0.88 -0.11 0.00 0.71 0.00 0.00 54.79 54.38 1xpt n ASP 38 Cb 0.48 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 42.31 1xpt n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpt s ARG 39 N -1.60 1.04 -0.60 -1.24 1.70 -1.25 -5.10 118.95 111.90 1xpt s ARG 39 Ca 0.05 -0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 54.77 1xpt s ARG 39 Cb 0.07 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.98 1xpt s ARG 39 CO 0.31 -0.44 1.03 0.00 -1.08 0.00 0.00 175.30 175.12 1xpt n LYS 41 N 7.90 2.06 0.18 0.00 4.81 -1.18 -4.88 118.16 127.04 1xpt n LYS 41 Ca 0.02 0.75 0.03 0.00 -0.87 0.00 0.00 58.31 58.23 1xpt n LYS 41 Cb 0.48 -2.53 0.33 0.00 0.02 0.00 0.00 35.03 33.33 1xpt n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1xpt h PRO 42 N 6.83 0.00 -3.36 1.64 0.13 -1.94 -3.45 132.00 131.85 1xpt h PRO 42 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 1xpt h PRO 42 Cb 1.27 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.14 1xpt h PRO 42 CO 0.90 0.42 -0.52 0.08 -0.23 0.00 0.00 178.00 178.65 1xpt s VAL 43 N -3.93 0.01 -0.24 1.56 1.01 -1.26 -2.04 120.40 115.51 1xpt s VAL 43 Ca -0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1xpt s VAL 43 Cb 0.13 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.30 1xpt s VAL 43 CO 0.72 -0.07 0.62 0.21 0.00 0.00 0.00 175.10 176.58 1xpt s ASN 44 N -0.17 -0.66 -0.10 3.32 2.47 0.16 -5.01 114.94 114.94 1xpt s ASN 44 Ca -0.03 1.26 0.01 0.00 0.42 0.00 0.00 52.86 54.53 1xpt s ASN 44 Cb -0.02 1.27 -0.02 0.00 -1.45 0.00 0.00 41.25 41.03 1xpt s ASN 44 CO 0.00 -0.22 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.14 1xpt s THR 45 N 0.39 3.05 -0.03 -5.21 2.01 -1.26 -0.68 115.64 113.90 1xpt s THR 45 Ca -0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1xpt s THR 45 Cb -0.04 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 1xpt s THR 45 CO 0.00 0.55 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.08 1xpt s PHE 46 N 0.00 2.99 -0.14 4.92 0.08 -0.24 -4.44 117.98 121.16 1xpt s PHE 46 Ca -0.04 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.06 1xpt s PHE 46 Cb -0.14 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1xpt s PHE 46 CO 0.04 0.40 -0.15 0.08 -0.10 0.00 0.00 175.22 175.49 1xpt s VAL 47 N -0.94 2.80 -0.97 -0.44 1.01 0.49 -0.59 120.40 121.76 1xpt s VAL 47 Ca 0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1xpt s VAL 47 Cb -0.11 -2.17 0.29 0.00 0.00 0.00 0.00 36.38 34.39 1xpt s VAL 47 CO 0.05 0.52 1.25 1.41 0.00 0.00 0.00 175.10 178.33 1xpt n HIS 48 N 3.74 2.91 -4.03 5.22 -0.00 0.02 -1.78 115.22 121.30 1xpt n HIS 48 Ca -0.19 -3.13 -0.10 0.00 -0.00 0.00 0.00 57.72 54.30 1xpt n HIS 48 Cb 0.52 -1.12 -0.07 0.00 -0.00 0.00 0.00 29.99 29.33 1xpt n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1xpt s GLU 49 N -2.53 1.37 0.60 -0.41 0.41 -1.26 -4.56 118.70 112.32 1xpt s GLU 49 Ca 0.33 -1.32 -0.17 0.00 -0.41 0.00 0.00 54.97 53.40 1xpt s GLU 49 Cb 0.05 0.40 -0.03 0.00 -1.78 0.00 0.00 34.13 32.78 1xpt s GLU 49 CO 0.05 -0.53 1.12 -1.54 -0.49 0.00 0.00 175.26 173.87 1xpt s SER 50 N -3.04 5.40 0.18 -0.19 1.04 -1.26 -4.31 113.70 111.52 1xpt s SER 50 Ca 0.25 2.08 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 1xpt s SER 50 Cb 0.02 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1xpt s SER 50 CO 0.07 -1.44 1.81 0.25 0.98 0.00 0.00 173.24 174.92 1xpt h LEU 51 N 0.57 0.74 -0.99 2.42 5.85 -1.99 -2.06 115.31 119.87 1xpt h LEU 51 Ca -0.48 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.23 1xpt h LEU 51 Cb 1.25 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1xpt h LEU 51 CO 0.55 0.60 0.64 0.00 -0.34 0.00 0.00 178.44 179.89 1xpt h ALA 52 N 1.18 1.37 -0.21 1.25 0.00 -1.98 0.31 119.26 121.17 1xpt h ALA 52 Ca 0.22 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xpt h ALA 52 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xpt h ALA 52 CO -0.04 0.43 -0.28 -0.44 0.00 0.00 0.00 179.25 178.92 1xpt h ASP 53 N 1.16 0.42 0.05 0.00 3.32 -1.85 -1.71 116.42 117.80 1xpt h ASP 53 Ca 0.42 -0.14 -0.27 0.00 0.02 0.00 0.00 57.03 57.06 1xpt h ASP 53 Cb 0.16 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1xpt h ASP 53 CO -0.17 0.69 -1.09 0.58 -1.72 0.00 0.00 179.24 177.53 1xpt h VAL 54 N 0.36 1.29 0.00 -1.35 2.07 -0.54 -3.24 116.25 114.84 1xpt h VAL 54 Ca 0.05 -2.32 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 1xpt h VAL 54 Cb 0.68 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1xpt h VAL 54 CO 0.05 0.71 -0.16 1.56 0.02 0.00 0.00 177.57 179.75 1xpt h GLN 55 N 0.29 0.00 0.00 1.57 4.20 -0.26 -2.52 115.11 118.39 1xpt h GLN 55 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1xpt h GLN 55 Cb 1.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1xpt h GLN 55 CO 0.21 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.53 1xpt h ALA 56 N 1.84 1.00 0.00 3.87 0.00 -1.34 -2.91 119.26 121.72 1xpt h ALA 56 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xpt h ALA 56 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xpt h ALA 56 CO 0.02 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 1xpt h VAL 57 N 0.00 0.32 0.00 0.00 2.07 -1.54 -1.66 116.25 115.43 1xpt h VAL 57 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1xpt h VAL 57 Cb 0.47 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1xpt h VAL 57 CO 0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1xpt n SER 59 N -1.37 2.42 0.00 0.00 7.64 -0.63 -5.01 113.62 116.67 1xpt n SER 59 Ca 0.04 -2.16 0.00 0.00 1.01 0.00 0.00 58.87 57.76 1xpt n SER 59 Cb 0.10 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1xpt n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpt n GLN 60 N -0.28 0.77 -2.59 1.43 6.02 -0.31 -5.02 117.38 117.41 1xpt n GLN 60 Ca 0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.62 1xpt n GLN 60 Cb 0.37 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.61 1xpt n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1xpt s LYS 61 N 4.06 3.89 -0.01 -1.09 2.20 -1.05 -4.87 119.74 122.87 1xpt s LYS 61 Ca 0.00 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 1xpt s LYS 61 Cb 0.00 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.44 1xpt s LYS 61 CO 0.00 -1.15 1.22 1.21 -0.36 0.00 0.00 175.35 176.27 1xpt s ASN 62 N 2.21 7.04 0.08 1.43 3.04 -1.26 -0.22 114.94 127.26 1xpt s ASN 62 Ca 0.48 1.92 -0.00 0.00 0.04 0.00 0.00 52.86 55.30 1xpt s ASN 62 Cb -0.11 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1xpt s ASN 62 CO 0.24 -0.55 -0.01 0.68 -3.04 0.00 0.00 177.10 174.41 1xpt s VAL 63 N 1.81 0.30 0.39 -5.21 -7.23 -0.47 -4.92 120.40 105.05 1xpt s VAL 63 Ca 0.58 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.64 1xpt s VAL 63 Cb -0.27 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.87 1xpt s VAL 63 CO 0.25 -0.82 1.05 0.00 -0.31 0.00 0.00 175.10 175.27 1xpt s ALA 64 N -3.89 3.11 0.76 1.32 0.00 -1.26 -3.24 121.76 118.56 1xpt s ALA 64 Ca 0.13 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1xpt s ALA 64 Cb 0.07 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1xpt s ALA 64 CO -0.06 -0.20 1.13 0.00 0.00 0.00 0.00 175.76 176.63 1xpt h LYS 66 N -0.87 0.00 -0.64 0.00 1.57 -1.91 -2.06 116.57 112.66 1xpt h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1xpt h LYS 66 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xpt h LYS 66 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 1xpt n ASN 67 N -4.37 3.84 0.00 0.86 6.94 -1.26 -4.92 115.26 116.35 1xpt n ASN 67 Ca -0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 1xpt n ASN 67 Cb 0.21 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 1xpt n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xpt n GLY 68 N 0.76 2.11 3.65 4.83 0.00 -0.77 -5.03 105.19 110.73 1xpt n GLY 68 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1xpt n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpt s GLN 69 N -0.29 0.70 -0.04 1.61 -0.21 -1.26 -4.72 119.66 115.45 1xpt s GLN 69 Ca 0.00 1.08 0.06 0.00 0.02 0.00 0.00 55.36 56.53 1xpt s GLN 69 Cb 0.00 -1.72 0.11 0.00 1.00 0.00 0.00 33.01 32.40 1xpt s GLN 69 CO 0.00 -2.70 1.07 0.25 -2.12 0.00 0.00 175.29 171.79 1xpt n THR 70 N -4.23 1.27 -1.26 -0.19 -2.24 -1.26 -0.72 114.28 105.65 1xpt n THR 70 Ca 0.08 -1.35 -0.29 0.00 -2.27 0.00 0.00 64.05 60.21 1xpt n THR 70 Cb 0.54 0.29 0.13 0.00 -2.10 0.00 0.00 70.33 69.19 1xpt n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xpt n ASN 71 N -0.67 5.62 -4.88 3.42 6.94 -1.26 -4.78 115.26 119.65 1xpt n ASN 71 Ca 0.06 -3.68 -0.25 0.00 -0.02 0.00 0.00 54.58 50.68 1xpt n ASN 71 Cb 0.38 -0.91 -0.04 0.00 -2.36 0.00 0.00 39.78 36.86 1xpt n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xpt s TYR 73 N -1.79 -0.29 -0.11 0.00 2.02 0.03 -1.37 117.35 115.84 1xpt s TYR 73 Ca 0.33 0.70 -0.04 0.00 -0.37 0.00 0.00 57.07 57.69 1xpt s TYR 73 Cb -0.10 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1xpt s TYR 73 CO 0.26 -0.17 0.04 -1.14 -1.57 0.00 0.00 175.55 172.97 1xpt s GLN 74 N 0.59 3.28 0.24 -0.62 0.74 0.69 -1.88 119.66 122.70 1xpt s GLN 74 Ca -0.04 -0.35 -0.30 0.00 0.05 0.00 0.00 55.36 54.73 1xpt s GLN 74 Cb -0.05 -2.95 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 1xpt s GLN 74 CO -0.03 0.62 1.28 -1.54 -0.55 0.00 0.00 175.29 175.07 1xpt s SER 75 N -0.64 6.91 0.23 6.67 1.04 -0.59 -2.54 113.70 124.78 1xpt s SER 75 Ca 0.11 2.46 -0.01 0.00 0.48 0.00 0.00 55.95 58.99 1xpt s SER 75 Cb -0.12 -2.62 0.23 0.00 0.10 0.00 0.00 66.02 63.61 1xpt s SER 75 CO 0.02 -0.48 1.60 1.88 0.98 0.00 0.00 173.24 177.24 1xpt h TYR 76 N 4.66 0.65 -2.24 5.02 0.05 -1.96 -3.44 116.97 119.71 1xpt h TYR 76 Ca -0.46 -0.18 -0.48 0.00 0.05 0.00 0.00 58.73 57.66 1xpt h TYR 76 Cb 1.22 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.80 1xpt h TYR 76 CO 0.60 0.86 -0.45 -1.12 -1.05 0.00 0.00 178.16 177.00 1xpt s SER 77 N -6.85 6.17 0.47 3.88 0.01 -1.26 -5.08 113.70 111.04 1xpt s SER 77 Ca -0.07 0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.05 1xpt s SER 77 Cb 0.12 -1.78 -0.08 0.00 0.21 0.00 0.00 66.02 64.50 1xpt s SER 77 CO 0.82 -0.05 0.92 0.42 0.41 0.00 0.00 173.24 175.76 1xpt s THR 78 N -1.97 4.58 0.11 1.44 -4.23 -1.26 -4.56 115.64 109.75 1xpt s THR 78 Ca 0.34 1.10 0.07 0.00 -1.18 0.00 0.00 61.69 62.02 1xpt s THR 78 Cb -0.09 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1xpt s THR 78 CO 0.28 -0.58 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.57 1xpt s MET 79 N -3.86 1.04 -0.19 3.99 -1.94 0.49 -4.89 119.30 113.95 1xpt s MET 79 Ca 0.57 -1.18 -0.29 0.00 -1.71 0.00 0.00 55.69 53.08 1xpt s MET 79 Cb -0.10 -1.10 -0.00 0.00 2.01 0.00 0.00 34.83 35.64 1xpt s MET 79 CO 0.28 0.23 1.14 0.45 -0.01 0.00 0.00 175.02 177.11 1xpt s SER 80 N -2.16 7.05 0.14 3.03 0.15 -1.26 -1.99 113.70 118.65 1xpt s SER 80 Ca 0.07 1.54 0.04 0.00 0.70 0.00 0.00 55.95 58.30 1xpt s SER 80 Cb -0.08 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1xpt s SER 80 CO 0.04 -0.69 -0.10 0.27 1.20 0.00 0.00 173.24 173.96 1xpt s ILE 81 N 3.18 1.12 -0.11 6.45 -4.36 -0.32 -0.80 121.20 126.37 1xpt s ILE 81 Ca 0.49 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 1xpt s ILE 81 Cb -0.18 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 41.72 1xpt s ILE 81 CO 0.11 -0.75 -0.14 -0.89 0.24 0.00 0.00 174.94 173.51 1xpt s THR 82 N -3.33 1.38 -0.26 8.37 2.01 0.25 -1.83 115.64 122.21 1xpt s THR 82 Ca 0.16 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 1xpt s THR 82 Cb 0.03 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1xpt s THR 82 CO 0.00 0.42 0.28 -0.62 -0.69 0.00 0.00 174.62 174.01 1xpt s ASP 83 N 1.09 6.17 -0.22 3.53 2.15 -0.08 -1.08 116.67 128.23 1xpt s ASP 83 Ca -0.05 0.18 -0.05 0.00 0.43 0.00 0.00 52.55 53.06 1xpt s ASP 83 Cb -0.14 -2.17 -0.01 0.00 -0.30 0.00 0.00 42.92 40.29 1xpt s ASP 83 CO -0.03 -0.10 -0.02 0.00 -0.17 0.00 0.00 175.17 174.86 1xpt s ARG 85 N 1.39 0.72 0.35 0.00 0.52 -1.13 -0.66 118.95 120.14 1xpt s ARG 85 Ca 0.05 -0.49 -0.28 0.00 -0.52 0.00 0.00 55.73 54.48 1xpt s ARG 85 Cb -0.14 -0.68 -0.11 0.00 0.52 0.00 0.00 34.95 34.54 1xpt s ARG 85 CO -0.01 0.17 1.45 -1.21 0.02 0.00 0.00 175.30 175.72 1xpt s GLU 86 N -0.66 4.18 0.63 3.54 2.02 -0.87 -0.76 118.70 126.78 1xpt s GLU 86 Ca 0.01 2.47 -0.06 0.00 0.02 0.00 0.00 54.97 57.41 1xpt s GLU 86 Cb -0.06 -3.00 0.03 0.00 0.10 0.00 0.00 34.13 31.20 1xpt s GLU 86 CO 0.00 -0.45 0.95 0.95 0.02 0.00 0.00 175.26 176.73 1xpt s THR 87 N -1.00 3.13 0.53 3.63 -4.23 -0.80 -4.82 115.64 112.07 1xpt s THR 87 Ca 0.53 -0.09 0.18 0.00 -1.18 0.00 0.00 61.69 61.13 1xpt s THR 87 Cb -0.45 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.40 1xpt s THR 87 CO 0.59 -0.30 2.14 1.23 -0.54 0.00 0.00 174.62 177.74 1xpt h GLY 88 N -0.34 0.00 1.95 3.99 0.00 -1.96 -2.20 103.07 104.52 1xpt h GLY 88 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xpt h GLY 88 CO 0.60 0.00 -0.05 1.76 0.00 0.00 0.00 176.54 178.85 1xpt h SER 89 N 0.00 0.00 -2.07 0.19 0.02 -1.94 -3.46 113.55 106.29 1xpt h SER 89 Ca 0.03 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.35 1xpt h SER 89 Cb 0.12 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.73 1xpt h SER 89 CO -0.00 0.00 0.49 -0.24 -1.14 0.00 0.00 176.83 175.94 1xpt n SER 90 N -3.08 2.05 -3.31 3.07 2.88 -0.83 -4.93 113.62 109.47 1xpt n SER 90 Ca 0.04 1.12 -0.01 0.00 -1.33 0.00 0.00 58.87 58.69 1xpt n SER 90 Cb 0.53 -1.29 -0.04 0.00 -0.75 0.00 0.00 64.21 62.66 1xpt n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1xpt s LYS 91 N 0.12 0.50 0.26 -1.46 2.20 -0.97 -4.92 119.74 115.46 1xpt s LYS 91 Ca 0.77 0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 57.03 1xpt s LYS 91 Cb -0.81 0.33 -0.14 0.00 -1.51 0.00 0.00 37.83 35.70 1xpt s LYS 91 CO 0.47 -0.54 1.23 0.98 -0.36 0.00 0.00 175.35 177.14 1xpt n TYR 92 N 5.41 1.77 1.64 4.03 9.36 -1.26 0.30 117.16 138.41 1xpt n TYR 92 Ca -0.04 0.58 0.09 0.00 3.32 0.00 0.00 57.90 61.85 1xpt n TYR 92 Cb 0.50 -2.36 0.42 0.00 -0.63 0.00 0.00 39.34 37.28 1xpt n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xpt n PRO 93 N 1.37 1.33 -1.94 2.98 -0.04 -1.26 -4.97 135.00 132.46 1xpt n PRO 93 Ca 0.11 -0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 62.66 1xpt n PRO 93 Cb 0.31 -1.31 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1xpt n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xpt n ASN 94 N -0.27 6.76 -4.77 3.54 3.02 0.15 -4.99 115.26 118.70 1xpt n ASN 94 Ca 0.14 -2.99 -0.40 0.00 -0.03 0.00 0.00 54.58 51.30 1xpt n ASN 94 Cb 0.18 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 37.85 1xpt n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xpt s ALA 96 N -1.23 0.09 0.10 0.00 0.00 -1.26 -4.93 121.76 114.53 1xpt s ALA 96 Ca 0.52 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.53 1xpt s ALA 96 Cb -0.36 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1xpt s ALA 96 CO 0.47 -0.00 -0.10 0.71 0.00 0.00 0.00 175.76 176.84 1xpt s TYR 97 N 0.18 1.08 -0.18 0.00 1.51 -1.26 -1.91 117.35 116.78 1xpt s TYR 97 Ca -0.01 -0.68 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 1xpt s TYR 97 Cb -0.03 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1xpt s TYR 97 CO -0.01 0.00 0.06 0.21 -1.11 0.00 0.00 175.55 174.71 1xpt s LYS 98 N -2.96 3.96 -0.24 -0.62 2.20 0.06 -4.67 119.74 117.46 1xpt s LYS 98 Ca 0.07 -0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.20 1xpt s LYS 98 Cb -0.02 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1xpt s LYS 98 CO -0.00 0.28 0.31 0.99 -0.36 0.00 0.00 175.35 176.57 1xpt s THR 99 N 0.34 5.24 -0.09 3.43 2.01 -1.26 -2.86 115.64 122.45 1xpt s THR 99 Ca 0.03 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1xpt s THR 99 Cb -0.12 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1xpt s THR 99 CO 0.00 0.24 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.18 1xpt s THR 100 N 1.58 1.09 0.28 -0.82 2.01 -0.78 -4.95 115.64 114.04 1xpt s THR 100 Ca 0.13 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.53 1xpt s THR 100 Cb -0.15 -1.06 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 1xpt s THR 100 CO 0.08 0.37 0.84 -1.10 -0.69 0.00 0.00 174.62 174.12 1xpt s GLN 101 N 1.27 4.41 0.18 4.92 -0.21 -1.26 -0.90 119.66 128.06 1xpt s GLN 101 Ca -0.03 1.10 -0.22 0.00 0.02 0.00 0.00 55.36 56.23 1xpt s GLN 101 Cb -0.14 -2.81 0.06 0.00 1.00 0.00 0.00 33.01 31.12 1xpt s GLN 101 CO -0.03 0.32 0.60 0.00 -2.12 0.00 0.00 175.29 174.05 1xpt s ALA 102 N -1.60 -1.45 -0.33 6.09 0.00 -0.76 -4.96 121.76 118.74 1xpt s ALA 102 Ca 0.47 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 1xpt s ALA 102 Cb -0.17 0.87 0.11 0.00 0.00 0.00 0.00 23.12 23.93 1xpt s ALA 102 CO 0.22 -0.80 0.14 -0.80 0.00 0.00 0.00 175.76 174.52 1xpt s ASN 103 N -2.79 3.74 0.29 0.00 -0.87 -1.26 -1.17 114.94 112.89 1xpt s ASN 103 Ca 0.03 -1.82 0.02 0.00 -1.57 0.00 0.00 52.86 49.52 1xpt s ASN 103 Cb -0.01 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.25 40.42 1xpt s ASN 103 CO -0.09 -0.38 0.10 -0.54 -2.57 0.00 0.00 177.10 173.61 1xpt s LYS 104 N 1.41 1.52 0.30 -0.60 1.02 -0.84 -4.77 119.74 117.77 1xpt s LYS 104 Ca 0.12 -1.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.02 1xpt s LYS 104 Cb -0.19 -0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 36.61 1xpt s LYS 104 CO -0.19 -0.29 0.90 -1.01 -0.92 0.00 0.00 175.35 173.83 1xpt s HIS 105 N -3.60 3.69 0.17 3.18 3.76 -1.26 -0.38 115.29 120.85 1xpt s HIS 105 Ca 0.37 1.71 0.08 0.00 -0.15 0.00 0.00 55.06 57.06 1xpt s HIS 105 Cb 0.08 -2.86 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 1xpt s HIS 105 CO 0.15 0.25 -0.03 0.96 -0.85 0.00 0.00 174.74 175.21 1xpt s ILE 106 N -1.58 3.59 -0.14 0.60 -4.36 -1.26 -1.26 121.20 116.79 1xpt s ILE 106 Ca 0.48 -1.45 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 1xpt s ILE 106 Cb -0.18 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.76 1xpt s ILE 106 CO 0.23 -0.09 -0.11 -0.63 0.24 0.00 0.00 174.94 174.58 1xpt s ILE 107 N -1.69 1.36 0.13 8.37 1.01 0.19 -1.54 121.20 129.03 1xpt s ILE 107 Ca 0.26 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1xpt s ILE 107 Cb -0.09 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1xpt s ILE 107 CO 0.18 0.37 -0.20 0.68 0.00 0.00 0.00 174.94 175.97 1xpt s VAL 108 N 1.56 1.77 -0.17 2.92 -7.23 -0.79 -0.73 120.40 117.73 1xpt s VAL 108 Ca 0.04 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 1xpt s VAL 108 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1xpt s VAL 108 CO -0.09 -0.17 0.19 0.00 -0.31 0.00 0.00 175.10 174.71 1xpt s ALA 109 N -1.54 3.68 0.16 1.32 0.00 -0.38 -0.79 121.76 124.21 1xpt s ALA 109 Ca 0.10 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1xpt s ALA 109 Cb -0.08 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1xpt s ALA 109 CO 0.05 0.20 -0.00 0.00 0.00 0.00 0.00 175.76 176.01 1xpt s GLU 111 N -2.83 1.02 0.39 0.00 2.12 -0.34 -4.91 118.70 114.15 1xpt s GLU 111 Ca 0.27 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.49 1xpt s GLU 111 Cb -0.10 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1xpt s GLU 111 CO 0.18 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1xpt n GLY 112 N 0.23 -2.38 2.80 -1.50 0.00 -1.26 -2.00 105.19 101.08 1xpt n GLY 112 Ca -0.15 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 1xpt n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpt s ASN 113 N -2.93 2.73 0.91 1.61 3.04 -1.26 -1.86 114.94 117.18 1xpt s ASN 113 Ca 0.00 -0.67 -0.11 0.00 0.04 0.00 0.00 52.86 52.11 1xpt s ASN 113 Cb 0.00 -0.71 0.14 0.00 -1.54 0.00 0.00 41.25 39.14 1xpt s ASN 113 CO 0.00 -0.24 1.09 -2.16 -3.04 0.00 0.00 177.10 172.75 1xpt s PRO 114 N 1.78 1.15 -0.50 0.43 0.04 -1.26 -5.06 135.00 131.57 1xpt s PRO 114 Ca 0.00 0.97 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 1xpt s PRO 114 Cb -0.16 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1xpt s PRO 114 CO -0.07 -2.35 1.57 -0.47 0.04 0.00 0.00 177.00 175.72 1xpt s TYR 115 N -2.85 2.09 0.23 0.56 5.04 -0.78 -4.89 117.35 116.76 1xpt s TYR 115 Ca 0.64 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1xpt s TYR 115 Cb -0.19 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.79 1xpt s TYR 115 CO 0.58 -2.22 0.00 0.14 -1.34 0.00 0.00 175.55 172.71 1xpt s VAL 116 N 6.69 0.99 0.24 3.14 -7.23 -0.84 -4.86 120.40 118.53 1xpt s VAL 116 Ca 0.62 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1xpt s VAL 116 Cb -0.14 -2.35 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1xpt s VAL 116 CO 0.27 -0.31 1.33 -2.84 -0.31 0.00 0.00 175.10 173.24 1xpt s PRO 117 N -3.87 4.36 0.00 4.82 0.02 -1.26 -1.20 135.00 137.86 1xpt s PRO 117 Ca 0.29 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1xpt s PRO 117 Cb 0.06 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1xpt s PRO 117 CO 0.09 -0.26 0.26 1.33 -0.33 0.00 0.00 177.00 178.09 1xpt n VAL 118 N 2.09 0.04 -3.64 3.83 0.24 -0.03 -4.49 118.33 116.37 1xpt n VAL 118 Ca 0.05 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.03 1xpt n VAL 118 Cb 0.42 1.51 -0.07 0.00 -1.47 0.00 0.00 33.84 34.23 1xpt n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xpt s HIS 119 N -0.04 -0.66 -0.29 6.34 5.65 -1.18 -4.72 115.29 120.39 1xpt s HIS 119 Ca 0.00 1.48 -0.13 0.00 0.25 0.00 0.00 55.06 56.66 1xpt s HIS 119 Cb 0.00 0.38 -0.04 0.00 -1.18 0.00 0.00 32.58 31.74 1xpt s HIS 119 CO 0.00 -0.32 0.28 0.12 -0.65 0.00 0.00 174.74 174.17 1xpt s PHE 120 N 0.70 3.23 -0.22 3.88 2.19 -1.26 -1.25 117.98 125.25 1xpt s PHE 120 Ca -0.02 0.16 -0.20 0.00 0.33 0.00 0.00 56.93 57.20 1xpt s PHE 120 Cb -0.05 -2.50 -0.17 0.00 -1.31 0.00 0.00 43.02 38.99 1xpt s PHE 120 CO -0.08 -0.24 0.11 -3.47 1.83 0.00 0.00 175.22 173.36 1xpt n ASP 121 N 5.20 1.87 -3.69 6.13 2.03 0.09 -4.96 116.55 123.22 1xpt n ASP 121 Ca -0.11 0.41 0.01 0.00 0.52 0.00 0.00 54.79 55.62 1xpt n ASP 121 Cb 0.51 -0.94 0.01 0.00 -0.72 0.00 0.00 41.12 39.98 1xpt n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpt s ALA 122 N -2.40 -2.23 0.04 -1.67 0.00 -1.00 -4.92 121.76 109.57 1xpt s ALA 122 Ca -0.30 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1xpt s ALA 122 Cb 0.07 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1xpt s ALA 122 CO 0.56 -1.12 -0.09 -1.54 0.00 0.00 0.00 175.76 173.57 1xpt s SER 123 N -3.62 1.05 0.00 0.00 1.04 -1.26 -0.64 113.70 110.27 1xpt s SER 123 Ca 0.26 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1xpt s SER 123 Cb -0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1xpt s SER 123 CO 0.00 -0.10 0.16 1.33 0.98 0.00 0.00 173.24 175.62