#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnm s GLU 2 N 0.00 0.22 0.93 1.64 2.12 -1.26 -5.15 118.70 117.20 1rnm s GLU 2 Ca 0.00 0.36 -0.12 0.00 0.36 0.00 0.00 54.97 55.58 1rnm s GLU 2 Cb 0.00 0.03 0.15 0.00 0.26 0.00 0.00 34.13 34.57 1rnm s GLU 2 CO 0.00 -0.08 1.09 0.95 -0.54 0.00 0.00 175.26 176.69 1rnm s THR 3 N 0.51 2.44 0.26 -1.70 -4.23 -1.26 -4.82 115.64 106.84 1rnm s THR 3 Ca -0.03 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1rnm s THR 3 Cb -0.05 -2.65 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1rnm s THR 3 CO -0.03 -0.19 1.80 0.00 -0.54 0.00 0.00 174.62 175.67 1rnm h ALA 4 N -1.66 1.14 -0.38 3.99 0.00 -1.97 -1.90 119.26 118.49 1rnm h ALA 4 Ca -0.51 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.06 1rnm h ALA 4 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1rnm h ALA 4 CO 0.56 0.59 -0.29 0.00 0.00 0.00 0.00 179.25 180.11 1rnm h ALA 5 N 1.28 0.78 -0.10 0.00 0.00 -1.91 -2.77 119.26 116.53 1rnm h ALA 5 Ca 0.20 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1rnm h ALA 5 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rnm h ALA 5 CO -0.01 0.65 -0.49 0.00 0.00 0.00 0.00 179.25 179.41 1rnm h ALA 6 N 0.98 0.98 -0.60 0.00 0.00 -1.86 -2.49 119.26 116.28 1rnm h ALA 6 Ca 0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1rnm h ALA 6 Cb 0.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1rnm h ALA 6 CO 0.07 0.65 -0.01 -0.22 0.00 0.00 0.00 179.25 179.74 1rnm h LYS 7 N 0.21 1.08 -0.36 0.00 3.64 -1.25 -1.99 116.57 117.89 1rnm h LYS 7 Ca 0.01 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1rnm h LYS 7 Cb 0.94 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1rnm h LYS 7 CO 0.08 1.05 0.05 0.35 -2.27 0.00 0.00 179.45 178.71 1rnm h PHE 8 N 0.98 0.65 -0.40 1.91 3.04 -1.44 -1.14 116.94 120.54 1rnm h PHE 8 Ca 0.17 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1rnm h PHE 8 Cb 0.58 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1rnm h PHE 8 CO 0.04 0.67 0.21 0.93 -2.02 0.00 0.00 178.31 178.14 1rnm h GLU 9 N 0.44 0.57 -0.49 1.11 5.08 -1.26 -0.39 114.58 119.63 1rnm h GLU 9 Ca 0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1rnm h GLU 9 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1rnm h GLU 9 CO 0.01 0.48 0.15 -0.09 -1.00 0.00 0.00 179.01 178.55 1rnm h ARG 10 N 0.51 0.77 0.00 2.33 2.43 -1.27 -1.79 114.38 117.37 1rnm h ARG 10 Ca 0.14 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 59.00 1rnm h ARG 10 Cb 0.08 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1rnm h ARG 10 CO -0.02 0.73 -0.67 1.96 -1.51 0.00 0.00 179.97 180.45 1rnm h GLN 11 N 0.67 0.00 0.00 0.20 4.20 -1.13 -3.41 115.11 115.64 1rnm h GLN 11 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1rnm h GLN 11 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1rnm h GLN 11 CO -0.00 0.67 -0.15 0.72 -0.67 0.00 0.00 178.83 179.40 1rnm n HIS 12 N -3.40 0.00 -3.57 2.96 8.25 -0.16 -4.76 115.22 114.54 1rnm n HIS 12 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 1rnm n HIS 12 Cb 0.75 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.80 1rnm n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rnm s MET 13 N -0.92 4.04 -0.40 -0.41 -1.94 -0.68 0.59 119.30 119.59 1rnm s MET 13 Ca 0.00 0.16 0.09 0.00 -1.71 0.00 0.00 55.69 54.22 1rnm s MET 13 Cb 0.00 -3.33 0.28 0.00 2.01 0.00 0.00 34.83 33.79 1rnm s MET 13 CO 0.00 0.44 0.65 -3.47 -0.01 0.00 0.00 175.02 172.63 1rnm n ASP 14 N 2.86 -0.15 0.00 3.03 2.03 0.22 -4.86 116.55 119.68 1rnm n ASP 14 Ca -0.14 -2.91 0.10 0.00 0.52 0.00 0.00 54.79 52.37 1rnm n ASP 14 Cb 0.52 -0.20 0.47 0.00 -0.72 0.00 0.00 41.12 41.19 1rnm n ASP 14 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1rnm n SER 15 N 1.07 0.00 0.17 1.67 3.41 -1.25 -3.44 113.62 115.25 1rnm n SER 15 Ca 0.20 0.20 0.04 0.00 -0.26 0.00 0.00 58.87 59.06 1rnm n SER 15 Cb 0.59 -0.37 0.24 0.00 -0.26 0.00 0.00 64.21 64.40 1rnm n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1rnm h SER 16 N 0.00 0.00 -3.67 4.04 0.02 -1.92 -3.45 113.55 108.57 1rnm h SER 16 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1rnm h SER 16 Cb 0.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.59 1rnm h SER 16 CO 0.00 0.43 -0.82 0.42 -1.14 0.00 0.00 176.83 175.72 1rnm s THR 17 N -3.40 2.61 -0.84 -2.27 -4.23 -1.22 -5.03 115.64 101.26 1rnm s THR 17 Ca 0.01 -1.67 0.25 0.00 -1.18 0.00 0.00 61.69 59.10 1rnm s THR 17 Cb 0.10 -2.20 0.05 0.00 1.34 0.00 0.00 72.50 71.79 1rnm s THR 17 CO 0.71 0.06 1.43 -1.54 -0.54 0.00 0.00 174.62 174.73 1rnm n SER 18 N 0.72 0.54 -3.60 3.99 3.41 -1.26 -4.72 113.62 112.69 1rnm n SER 18 Ca -0.16 -0.01 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 1rnm n SER 18 Cb 0.53 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1rnm n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnm s ALA 19 N -3.07 -2.08 0.17 7.33 0.00 -1.26 -4.88 121.76 117.96 1rnm s ALA 19 Ca 0.09 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 1rnm s ALA 19 Cb 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.19 1rnm s ALA 19 CO 0.69 -0.69 1.50 0.00 0.00 0.00 0.00 175.76 177.26 1rnm s ALA 20 N -2.47 3.70 -0.06 0.00 0.00 -1.26 -4.94 121.76 116.73 1rnm s ALA 20 Ca 0.10 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1rnm s ALA 20 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1rnm s ALA 20 CO -0.05 -0.73 0.52 0.66 0.00 0.00 0.00 175.76 176.16 1rnm h SER 21 N 6.40 -0.25 -3.12 0.00 4.64 -2.00 -3.49 113.55 115.73 1rnm h SER 21 Ca -0.43 -0.12 -0.52 0.00 -0.47 0.00 0.00 61.79 60.25 1rnm h SER 21 Cb 1.21 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 1rnm h SER 21 CO 0.87 0.26 -0.56 -0.94 -0.87 0.00 0.00 176.83 175.59 1rnm s SER 22 N -5.29 2.60 0.00 4.97 1.04 -1.26 -5.01 113.70 110.74 1rnm s SER 22 Ca -0.07 -1.54 0.17 0.00 0.48 0.00 0.00 55.95 54.99 1rnm s SER 22 Cb 0.00 0.25 0.79 0.00 0.10 0.00 0.00 66.02 67.16 1rnm s SER 22 CO 0.25 -0.78 1.53 -1.54 0.98 0.00 0.00 173.24 173.68 1rnm n SER 23 N -1.00 0.00 -0.63 7.02 3.41 -1.26 -2.04 113.62 119.11 1rnm n SER 23 Ca -0.05 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1rnm n SER 23 Cb 0.66 -0.40 0.17 0.00 -0.26 0.00 0.00 64.21 64.37 1rnm n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rnm n ASN 24 N -1.40 2.17 -0.07 4.04 2.85 -1.26 -4.51 115.26 117.07 1rnm n ASN 24 Ca 0.06 -1.60 -0.09 0.00 -0.11 0.00 0.00 54.58 52.83 1rnm n ASN 24 Cb 0.17 0.18 -0.03 0.00 1.24 0.00 0.00 39.78 41.34 1rnm n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1rnm h TYR 25 N 3.08 -1.00 -0.84 1.20 5.03 -1.82 -2.46 116.97 120.16 1rnm h TYR 25 Ca 0.00 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1rnm h TYR 25 Cb 0.77 0.48 -0.04 0.00 1.55 0.00 0.00 36.73 39.49 1rnm h TYR 25 CO 0.00 -0.41 0.48 0.00 -1.32 0.00 0.00 178.16 176.91 1rnm h ASN 27 N 1.16 0.93 0.24 0.00 -0.26 -1.73 -0.10 115.58 115.82 1rnm h ASN 27 Ca 0.30 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.04 1rnm h ASN 27 Cb -0.00 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1rnm h ASN 27 CO -0.05 0.59 -0.12 1.56 -1.06 0.00 0.00 177.43 178.35 1rnm h GLN 28 N 1.07 -0.32 -0.63 0.81 4.20 -1.21 -3.20 115.11 115.83 1rnm h GLN 28 Ca 0.40 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.09 1rnm h GLN 28 Cb 0.18 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1rnm h GLN 28 CO -0.18 0.05 0.23 0.52 -0.67 0.00 0.00 178.83 178.78 1rnm h MET 29 N -0.84 0.94 -0.45 1.46 2.86 -1.29 0.18 114.93 117.78 1rnm h MET 29 Ca -0.03 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1rnm h MET 29 Cb 0.51 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1rnm h MET 29 CO 0.06 0.78 0.22 0.52 1.06 0.00 0.00 176.91 179.55 1rnm h MET 30 N 0.92 0.62 0.04 1.72 2.86 -1.13 -1.19 114.93 118.77 1rnm h MET 30 Ca 0.21 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1rnm h MET 30 Cb 0.21 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.75 1rnm h MET 30 CO -0.02 0.48 -0.28 -0.22 1.06 0.00 0.00 176.91 177.94 1rnm h LYS 31 N 0.62 0.12 0.00 1.72 3.64 -1.43 -0.12 116.57 121.12 1rnm h LYS 31 Ca 0.16 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1rnm h LYS 31 Cb 0.06 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1rnm h LYS 31 CO -0.02 1.04 -0.06 0.66 -2.27 0.00 0.00 179.45 178.79 1rnm h SER 32 N -0.71 0.00 -0.49 4.20 4.64 -0.87 -0.65 113.55 119.68 1rnm h SER 32 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1rnm h SER 32 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rnm h SER 32 CO 0.05 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 1rnm n ARG 33 N -3.61 2.28 -2.69 4.77 5.12 -0.46 -4.93 116.66 117.15 1rnm n ARG 33 Ca -0.02 -1.98 -0.18 0.00 -1.93 0.00 0.00 57.85 53.75 1rnm n ARG 33 Cb 0.17 -1.45 0.02 0.00 -1.16 0.00 0.00 32.46 30.04 1rnm n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rnm n ASN 34 N 1.12 -5.16 -0.62 0.55 3.02 -0.25 -4.85 115.26 109.07 1rnm n ASN 34 Ca 0.19 -0.16 0.10 0.00 -0.03 0.00 0.00 54.58 54.68 1rnm n ASN 34 Cb 0.49 -4.09 0.35 0.00 -0.61 0.00 0.00 39.78 35.91 1rnm n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rnm n LEU 35 N -3.00 1.86 -0.20 3.41 4.77 -0.06 -3.70 117.00 120.07 1rnm n LEU 35 Ca -0.13 -0.79 0.07 0.00 -0.03 0.00 0.00 56.01 55.14 1rnm n LEU 35 Cb 0.62 -0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1rnm n LEU 35 CO 0.33 0.39 0.48 0.35 -1.33 0.00 0.00 177.39 177.61 1rnm n THR 36 N 0.46 1.38 -0.03 -5.08 -2.24 -1.23 -2.97 114.28 104.57 1rnm n THR 36 Ca 0.16 -1.68 -0.13 0.00 -2.27 0.00 0.00 64.05 60.14 1rnm n THR 36 Cb 0.36 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1rnm n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rnm h LYS 37 N 0.03 0.70 0.00 -0.78 1.79 -1.91 -3.36 116.57 113.04 1rnm h LYS 37 Ca -0.00 -0.47 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 1rnm h LYS 37 Cb 1.11 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1rnm h LYS 37 CO 0.00 1.09 -1.38 -0.25 -1.08 0.00 0.00 179.45 177.83 1rnm n ASP 38 N -3.96 3.18 -3.32 0.86 8.00 -1.26 -5.06 116.55 114.99 1rnm n ASP 38 Ca -0.04 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 1rnm n ASP 38 Cb 0.64 1.29 -0.00 0.00 -0.02 0.00 0.00 41.12 43.03 1rnm n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rnm s ARG 39 N -2.51 2.03 -0.40 -1.24 1.04 -1.26 -5.08 118.95 111.53 1rnm s ARG 39 Ca -0.03 -1.31 -0.17 0.00 -1.04 0.00 0.00 55.73 53.18 1rnm s ARG 39 Cb 0.05 0.60 0.01 0.00 -2.04 0.00 0.00 34.95 33.57 1rnm s ARG 39 CO 0.33 -0.93 0.44 0.00 -0.04 0.00 0.00 175.30 175.10 1rnm s LYS 41 N 2.16 4.25 0.11 0.00 2.20 -1.16 -4.92 119.74 122.38 1rnm s LYS 41 Ca 0.13 2.17 -0.18 0.00 -0.36 0.00 0.00 55.97 57.73 1rnm s LYS 41 Cb -0.17 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1rnm s LYS 41 CO 0.13 -0.62 1.65 -1.35 -0.36 0.00 0.00 175.35 174.80 1rnm h PRO 42 N 7.75 0.42 -5.00 4.03 0.11 -1.94 -3.43 132.00 133.94 1rnm h PRO 42 Ca -0.41 -0.08 -0.49 0.00 0.11 0.00 0.00 66.00 65.14 1rnm h PRO 42 Cb 1.20 -0.07 -0.30 0.00 0.11 0.00 0.00 31.00 31.93 1rnm h PRO 42 CO 0.91 0.45 -0.81 0.08 -0.21 0.00 0.00 178.00 178.42 1rnm s VAL 43 N -5.53 1.08 -0.20 3.15 1.01 -1.26 -0.56 120.40 118.08 1rnm s VAL 43 Ca -0.13 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1rnm s VAL 43 Cb 0.08 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.61 1rnm s VAL 43 CO 0.73 0.32 0.47 0.21 0.00 0.00 0.00 175.10 176.83 1rnm s ASN 44 N 0.01 -0.56 -0.12 3.32 2.47 -0.44 -5.01 114.94 114.61 1rnm s ASN 44 Ca -0.01 1.06 -0.06 0.00 0.42 0.00 0.00 52.86 54.27 1rnm s ASN 44 Cb -0.09 1.10 -0.04 0.00 -1.45 0.00 0.00 41.25 40.77 1rnm s ASN 44 CO 0.01 -0.21 0.09 -0.89 -3.72 0.00 0.00 177.10 172.37 1rnm s THR 45 N 1.82 5.06 -0.09 -5.21 2.01 -1.26 -1.98 115.64 115.99 1rnm s THR 45 Ca -0.08 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1rnm s THR 45 Cb -0.09 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1rnm s THR 45 CO -0.14 0.59 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.94 1rnm s PHE 46 N -0.75 2.92 -0.16 4.92 0.08 -0.54 -4.47 117.98 119.98 1rnm s PHE 46 Ca 0.13 -0.10 -0.05 0.00 0.12 0.00 0.00 56.93 57.02 1rnm s PHE 46 Cb -0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 1rnm s PHE 46 CO 0.03 0.21 0.00 0.08 -0.10 0.00 0.00 175.22 175.44 1rnm s VAL 47 N -0.51 4.24 -0.96 -0.44 1.01 0.20 -1.56 120.40 122.38 1rnm s VAL 47 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1rnm s VAL 47 Cb -0.12 -2.88 0.30 0.00 0.00 0.00 0.00 36.38 33.69 1rnm s VAL 47 CO 0.02 0.49 1.41 1.41 0.00 0.00 0.00 175.10 178.43 1rnm n HIS 48 N 3.47 2.71 -4.07 5.22 -0.00 -0.23 -0.61 115.22 121.71 1rnm n HIS 48 Ca -0.17 -2.92 -0.09 0.00 -0.00 0.00 0.00 57.72 54.54 1rnm n HIS 48 Cb 0.52 -1.07 -0.09 0.00 -0.00 0.00 0.00 29.99 29.35 1rnm n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rnm s GLU 49 N -3.17 0.90 0.74 -0.41 0.41 -1.26 -4.46 118.70 111.45 1rnm s GLU 49 Ca 0.36 -1.30 -0.12 0.00 -0.41 0.00 0.00 54.97 53.49 1rnm s GLU 49 Cb 0.12 0.27 0.04 0.00 -1.78 0.00 0.00 34.13 32.78 1rnm s GLU 49 CO 0.02 -0.26 1.11 -1.54 -0.49 0.00 0.00 175.26 174.10 1rnm s SER 50 N -2.99 4.54 0.28 -0.19 1.04 -1.26 -4.22 113.70 110.90 1rnm s SER 50 Ca 0.18 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 58.54 1rnm s SER 50 Cb 0.06 -2.54 0.39 0.00 0.10 0.00 0.00 66.02 64.03 1rnm s SER 50 CO -0.02 -2.01 1.90 0.25 0.98 0.00 0.00 173.24 174.34 1rnm h LEU 51 N -0.72 0.92 -0.75 2.42 5.85 -1.98 -1.75 115.31 119.31 1rnm h LEU 51 Ca -0.45 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1rnm h LEU 51 Cb 1.24 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1rnm h LEU 51 CO 0.51 0.75 0.45 0.00 -0.34 0.00 0.00 178.44 179.82 1rnm h ALA 52 N 1.39 0.95 -0.16 1.25 0.00 -1.99 -0.18 119.26 120.53 1rnm h ALA 52 Ca 0.26 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1rnm h ALA 52 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1rnm h ALA 52 CO -0.04 0.42 -0.22 -0.44 0.00 0.00 0.00 179.25 178.97 1rnm h ASP 53 N 1.02 0.28 0.07 0.00 3.32 -1.70 -2.16 116.42 117.25 1rnm h ASP 53 Ca 0.27 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.98 1rnm h ASP 53 Cb -0.03 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.46 1rnm h ASP 53 CO -0.05 0.51 -1.01 0.58 -1.72 0.00 0.00 179.24 177.55 1rnm h VAL 54 N 0.26 1.30 0.00 -1.35 2.07 -0.84 -3.16 116.25 114.54 1rnm h VAL 54 Ca 0.04 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 1rnm h VAL 54 Cb 0.54 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1rnm h VAL 54 CO 0.04 0.70 -0.16 1.56 0.02 0.00 0.00 177.57 179.73 1rnm h GLN 55 N 0.37 0.00 0.00 1.57 4.20 -0.88 -2.31 115.11 118.06 1rnm h GLN 55 Ca -0.12 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1rnm h GLN 55 Cb 1.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 1rnm h GLN 55 CO 0.19 0.16 -0.25 0.00 -0.67 0.00 0.00 178.83 178.26 1rnm h ALA 56 N 1.84 1.22 -0.13 3.87 0.00 -1.35 -2.83 119.26 121.87 1rnm h ALA 56 Ca -0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1rnm h ALA 56 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1rnm h ALA 56 CO 0.02 0.31 0.20 0.28 0.00 0.00 0.00 179.25 180.07 1rnm h VAL 57 N 0.00 0.31 0.00 0.00 2.07 -1.49 0.01 116.25 117.16 1rnm h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1rnm h VAL 57 Cb 0.59 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1rnm h VAL 57 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1rnm n SER 59 N -1.40 1.71 0.00 0.00 3.41 -0.01 -5.00 113.62 112.34 1rnm n SER 59 Ca 0.04 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1rnm n SER 59 Cb 0.10 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1rnm n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rnm n GLN 60 N -0.97 0.00 -2.71 4.33 6.02 -0.65 -5.02 117.38 118.38 1rnm n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1rnm n GLN 60 Cb 0.71 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 1rnm n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rnm s LYS 61 N 3.78 3.62 0.02 -1.09 2.47 -1.05 -4.89 119.74 122.60 1rnm s LYS 61 Ca 0.00 0.35 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 1rnm s LYS 61 Cb 0.00 -3.92 -0.05 0.00 -1.46 0.00 0.00 37.83 32.40 1rnm s LYS 61 CO 0.00 -1.32 1.26 1.21 0.16 0.00 0.00 175.35 176.66 1rnm s ASN 62 N 2.39 7.00 0.14 1.43 3.04 -1.26 -0.26 114.94 127.42 1rnm s ASN 62 Ca 0.42 2.00 -0.01 0.00 0.04 0.00 0.00 52.86 55.32 1rnm s ASN 62 Cb -0.09 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 37.01 1rnm s ASN 62 CO 0.29 -0.57 0.07 0.68 -3.04 0.00 0.00 177.10 174.52 1rnm s VAL 63 N 1.68 0.10 0.45 -5.21 -7.23 -0.62 -4.93 120.40 104.64 1rnm s VAL 63 Ca 0.59 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.63 1rnm s VAL 63 Cb -0.29 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1rnm s VAL 63 CO 0.27 -0.40 1.00 0.00 -0.31 0.00 0.00 175.10 175.66 1rnm s ALA 64 N -4.06 2.96 0.62 1.32 0.00 -1.26 -3.35 121.76 117.99 1rnm s ALA 64 Ca 0.26 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 1rnm s ALA 64 Cb 0.07 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1rnm s ALA 64 CO 0.03 -0.13 0.95 0.00 0.00 0.00 0.00 175.76 176.62 1rnm h LYS 66 N -0.29 0.13 -0.04 0.00 1.57 -1.93 -0.24 116.57 115.78 1rnm h LYS 66 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1rnm h LYS 66 Cb 1.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1rnm h LYS 66 CO 0.61 0.09 0.00 0.27 -0.57 0.00 0.00 179.45 179.85 1rnm n ASN 67 N -4.47 0.56 0.00 0.86 6.94 -1.26 -4.91 115.26 112.99 1rnm n ASN 67 Ca 0.05 -1.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1rnm n ASN 67 Cb 0.32 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1rnm n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rnm n GLY 68 N 0.97 2.06 3.72 4.83 0.00 -0.10 -5.04 105.19 111.62 1rnm n GLY 68 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1rnm n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rnm s GLN 69 N -0.58 1.62 -0.28 1.61 -0.21 -1.26 -4.67 119.66 115.89 1rnm s GLN 69 Ca 0.00 1.25 0.10 0.00 0.02 0.00 0.00 55.36 56.73 1rnm s GLN 69 Cb 0.00 -1.82 0.50 0.00 1.00 0.00 0.00 33.01 32.69 1rnm s GLN 69 CO 0.00 -2.11 1.45 0.25 -2.12 0.00 0.00 175.29 172.75 1rnm n THR 70 N -3.85 2.51 -1.41 -0.19 -2.24 -1.26 -0.34 114.28 107.50 1rnm n THR 70 Ca 0.10 -2.72 -0.17 0.00 -2.27 0.00 0.00 64.05 58.98 1rnm n THR 70 Cb 0.53 -0.31 0.16 0.00 -2.10 0.00 0.00 70.33 68.61 1rnm n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rnm n ASN 71 N -1.09 3.87 -4.80 3.42 2.04 -1.26 -4.78 115.26 112.66 1rnm n ASN 71 Ca 0.32 -3.73 -0.32 0.00 -0.44 0.00 0.00 54.58 50.41 1rnm n ASN 71 Cb 1.00 -0.74 -0.06 0.00 -2.53 0.00 0.00 39.78 37.45 1rnm n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rnm s TYR 73 N -1.30 0.08 -0.06 0.00 1.51 0.37 -1.60 117.35 116.36 1rnm s TYR 73 Ca 0.26 0.04 -0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1rnm s TYR 73 Cb -0.12 -0.17 -0.04 0.00 -0.11 0.00 0.00 41.96 41.52 1rnm s TYR 73 CO 0.18 -0.05 0.10 -1.14 -1.11 0.00 0.00 175.55 173.53 1rnm s GLN 74 N 0.54 3.23 0.38 -0.62 0.74 0.64 -1.73 119.66 122.84 1rnm s GLN 74 Ca -0.05 -0.33 -0.26 0.00 0.05 0.00 0.00 55.36 54.77 1rnm s GLN 74 Cb -0.07 -2.99 -0.09 0.00 1.10 0.00 0.00 33.01 30.96 1rnm s GLN 74 CO -0.01 0.70 1.20 -1.54 -0.55 0.00 0.00 175.29 175.09 1rnm s SER 75 N -1.39 6.61 0.23 6.67 1.04 -0.39 -2.51 113.70 123.96 1rnm s SER 75 Ca 0.19 2.44 0.01 0.00 0.48 0.00 0.00 55.95 59.08 1rnm s SER 75 Cb -0.12 -2.62 0.24 0.00 0.10 0.00 0.00 66.02 63.62 1rnm s SER 75 CO 0.09 -0.62 1.58 1.88 0.98 0.00 0.00 173.24 177.15 1rnm h TYR 76 N 2.89 0.49 -1.28 5.02 0.05 -1.95 -3.44 116.97 118.75 1rnm h TYR 76 Ca -0.49 -0.16 -0.53 0.00 0.05 0.00 0.00 58.73 57.60 1rnm h TYR 76 Cb 1.23 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 1rnm h TYR 76 CO 0.55 0.83 -0.37 0.45 -1.05 0.00 0.00 178.16 178.57 1rnm s SER 77 N -6.89 4.84 0.43 3.88 0.15 -1.26 -5.08 113.70 109.77 1rnm s SER 77 Ca -0.06 -0.93 -0.16 0.00 0.70 0.00 0.00 55.95 55.50 1rnm s SER 77 Cb 0.12 -0.29 -0.09 0.00 -1.71 0.00 0.00 66.02 64.06 1rnm s SER 77 CO 0.81 -0.77 0.87 0.42 1.20 0.00 0.00 173.24 175.78 1rnm s THR 78 N -2.57 4.58 0.08 6.45 -4.23 -1.26 -4.51 115.64 114.17 1rnm s THR 78 Ca 0.44 1.11 0.03 0.00 -1.18 0.00 0.00 61.69 62.08 1rnm s THR 78 Cb -0.02 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1rnm s THR 78 CO 0.26 -0.44 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.77 1rnm s MET 79 N -3.54 0.74 -0.10 3.99 -1.94 1.00 -4.85 119.30 114.60 1rnm s MET 79 Ca 0.57 -1.08 -0.30 0.00 -1.71 0.00 0.00 55.69 53.18 1rnm s MET 79 Cb -0.10 -0.38 -0.03 0.00 2.01 0.00 0.00 34.83 36.34 1rnm s MET 79 CO 0.23 0.05 1.22 0.45 -0.01 0.00 0.00 175.02 176.96 1rnm s SER 80 N -2.32 7.01 0.17 3.03 0.15 -1.26 -1.06 113.70 119.43 1rnm s SER 80 Ca 0.02 1.76 0.01 0.00 0.70 0.00 0.00 55.95 58.45 1rnm s SER 80 Cb -0.03 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1rnm s SER 80 CO -0.01 -0.65 0.02 0.27 1.20 0.00 0.00 173.24 174.07 1rnm s ILE 81 N 2.71 0.54 -0.15 6.45 -5.25 0.33 -1.07 121.20 124.77 1rnm s ILE 81 Ca 0.55 -1.97 -0.01 0.00 -0.99 0.00 0.00 60.65 58.23 1rnm s ILE 81 Cb -0.23 -2.15 0.04 0.00 2.95 0.00 0.00 42.46 43.07 1rnm s ILE 81 CO 0.19 -0.43 -0.02 -0.89 -1.79 0.00 0.00 174.94 171.99 1rnm s THR 82 N -3.75 0.85 -0.07 8.37 2.01 -0.60 -1.19 115.64 121.26 1rnm s THR 82 Ca 0.25 -0.47 -0.20 0.00 0.31 0.00 0.00 61.69 61.59 1rnm s THR 82 Cb 0.07 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1rnm s THR 82 CO 0.04 0.09 0.56 -0.62 -0.69 0.00 0.00 174.62 174.00 1rnm s ASP 83 N 1.75 6.85 -0.17 3.53 -1.08 0.80 -1.46 116.67 126.87 1rnm s ASP 83 Ca 0.01 1.01 -0.00 0.00 -0.52 0.00 0.00 52.55 53.05 1rnm s ASP 83 Cb -0.15 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1rnm s ASP 83 CO -0.07 0.02 -0.15 0.00 0.52 0.00 0.00 175.17 175.49 1rnm s ARG 85 N 1.09 1.25 0.35 0.00 3.52 -0.80 -1.33 118.95 123.03 1rnm s ARG 85 Ca -0.00 -0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 54.96 1rnm s ARG 85 Cb -0.14 -1.11 -0.11 0.00 -1.56 0.00 0.00 34.95 32.03 1rnm s ARG 85 CO -0.05 0.09 1.43 -2.00 -0.81 0.00 0.00 175.30 173.96 1rnm s GLU 86 N 0.38 4.20 0.63 5.12 2.12 0.27 0.33 118.70 131.75 1rnm s GLU 86 Ca -0.07 2.44 -0.11 0.00 0.36 0.00 0.00 54.97 57.59 1rnm s GLU 86 Cb -0.12 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 1rnm s GLU 86 CO 0.02 -0.41 1.03 0.95 -0.54 0.00 0.00 175.26 176.30 1rnm s THR 87 N -1.04 4.40 0.37 -1.70 -4.23 -0.42 -4.80 115.64 108.22 1rnm s THR 87 Ca 0.52 0.73 0.06 0.00 -1.18 0.00 0.00 61.69 61.82 1rnm s THR 87 Cb -0.44 -3.76 0.18 0.00 1.34 0.00 0.00 72.50 69.82 1rnm s THR 87 CO 0.58 -0.99 1.93 1.23 -0.54 0.00 0.00 174.62 176.83 1rnm h GLY 88 N -0.37 0.49 1.79 3.99 0.00 -1.94 -2.84 103.07 104.19 1rnm h GLY 88 Ca -0.44 -0.26 -0.24 0.00 0.00 0.00 0.00 47.33 46.39 1rnm h GLY 88 CO 0.62 0.25 -1.14 1.48 0.00 0.00 0.00 176.54 177.75 1rnm h SER 89 N 0.44 0.11 -0.82 0.19 4.64 -1.95 -3.47 113.55 112.68 1rnm h SER 89 Ca 0.10 -0.12 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 1rnm h SER 89 Cb 0.25 -0.03 0.07 0.00 -0.31 0.00 0.00 62.40 62.38 1rnm h SER 89 CO 0.00 1.10 -0.27 -0.24 -0.87 0.00 0.00 176.83 176.55 1rnm n SER 90 N -3.37 -0.68 -3.68 4.97 2.88 -1.08 -4.99 113.62 107.68 1rnm n SER 90 Ca -0.04 0.94 -0.12 0.00 -1.33 0.00 0.00 58.87 58.31 1rnm n SER 90 Cb 0.97 -0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 63.54 1rnm n SER 90 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1rnm s LYS 91 N -0.54 0.21 0.35 -1.46 0.00 -1.17 -4.93 119.74 112.19 1rnm s LYS 91 Ca 0.60 0.73 -0.29 0.00 0.00 0.00 0.00 55.97 57.01 1rnm s LYS 91 Cb -0.86 -0.01 -0.12 0.00 0.00 0.00 0.00 37.83 36.85 1rnm s LYS 91 CO 0.46 -0.23 1.48 0.98 0.00 0.00 0.00 175.35 178.04 1rnm n TYR 92 N 4.91 2.81 0.85 1.78 9.36 -1.26 0.19 117.16 135.79 1rnm n TYR 92 Ca -0.14 0.42 0.05 0.00 3.32 0.00 0.00 57.90 61.55 1rnm n TYR 92 Cb 0.51 -2.52 0.15 0.00 -0.63 0.00 0.00 39.34 36.85 1rnm n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rnm n PRO 93 N 0.92 1.89 -2.93 2.98 -0.04 -1.26 -4.98 135.00 131.58 1rnm n PRO 93 Ca 0.04 -1.21 -0.44 0.00 -0.04 0.00 0.00 63.50 61.85 1rnm n PRO 93 Cb 0.38 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1rnm n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rnm n ASN 94 N 0.44 5.66 -4.72 3.54 3.02 0.13 -5.01 115.26 118.31 1rnm n ASN 94 Ca 0.11 -3.16 -0.42 0.00 -0.03 0.00 0.00 54.58 51.08 1rnm n ASN 94 Cb 0.33 -1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 1rnm n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rnm s ALA 96 N 0.77 1.64 0.16 0.00 0.00 -1.26 -4.98 121.76 118.09 1rnm s ALA 96 Ca 0.57 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.78 1rnm s ALA 96 Cb -0.31 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1rnm s ALA 96 CO 0.31 0.37 -0.14 0.71 0.00 0.00 0.00 175.76 177.00 1rnm s TYR 97 N -0.30 1.54 -0.21 0.00 2.02 -1.26 -1.30 117.35 117.84 1rnm s TYR 97 Ca 0.04 -0.58 -0.06 0.00 -0.37 0.00 0.00 57.07 56.10 1rnm s TYR 97 Cb -0.09 -0.76 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 1rnm s TYR 97 CO 0.00 0.23 0.02 0.21 -1.57 0.00 0.00 175.55 174.44 1rnm s LYS 98 N -3.15 3.68 -0.15 -0.62 2.20 0.15 -4.71 119.74 117.15 1rnm s LYS 98 Ca 0.15 -0.49 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1rnm s LYS 98 Cb -0.03 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1rnm s LYS 98 CO 0.04 0.01 0.36 0.99 -0.36 0.00 0.00 175.35 176.39 1rnm s THR 99 N 1.04 5.27 -0.16 3.43 2.01 -1.26 -1.91 115.64 124.05 1rnm s THR 99 Ca 0.03 0.69 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 1rnm s THR 99 Cb -0.14 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.71 1rnm s THR 99 CO 0.02 0.36 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.41 1rnm s THR 100 N 0.54 0.82 -0.06 -0.82 2.01 -0.61 -4.99 115.64 112.53 1rnm s THR 100 Ca 0.20 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 1rnm s THR 100 Cb -0.14 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1rnm s THR 100 CO 0.06 0.06 0.41 -1.58 -0.69 0.00 0.00 174.62 172.88 1rnm s GLN 101 N 1.76 4.08 0.21 4.92 2.00 -1.26 -0.14 119.66 131.23 1rnm s GLN 101 Ca 0.01 0.38 -0.23 0.00 -2.00 0.00 0.00 55.36 53.52 1rnm s GLN 101 Cb -0.15 -3.31 0.04 0.00 0.80 0.00 0.00 33.01 30.39 1rnm s GLN 101 CO -0.07 0.48 0.74 0.00 -0.50 0.00 0.00 175.29 175.93 1rnm s ALA 102 N -0.38 -1.42 -0.33 1.58 0.00 -0.34 -4.99 121.76 115.88 1rnm s ALA 102 Ca 0.23 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1rnm s ALA 102 Cb -0.16 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.80 1rnm s ALA 102 CO 0.11 -0.95 0.11 -0.80 0.00 0.00 0.00 175.76 174.23 1rnm s ASN 103 N -2.86 5.31 0.20 0.00 0.01 -1.26 -0.51 114.94 115.83 1rnm s ASN 103 Ca 0.08 -1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 51.15 1rnm s ASN 103 Cb -0.04 -1.88 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 1rnm s ASN 103 CO 0.00 -0.31 0.17 -0.54 -1.51 0.00 0.00 177.10 174.91 1rnm s LYS 104 N 1.43 1.21 0.37 -0.60 1.02 -0.22 -4.75 119.74 118.21 1rnm s LYS 104 Ca -0.01 -1.55 -0.21 0.00 0.02 0.00 0.00 55.97 54.23 1rnm s LYS 104 Cb -0.19 0.29 -0.10 0.00 -0.52 0.00 0.00 37.83 37.31 1rnm s LYS 104 CO 0.03 -0.41 0.90 -1.01 -0.92 0.00 0.00 175.35 173.94 1rnm s HIS 105 N -4.12 3.42 0.22 3.18 3.76 -1.26 -0.00 115.29 120.48 1rnm s HIS 105 Ca 0.34 1.56 0.08 0.00 -0.15 0.00 0.00 55.06 56.90 1rnm s HIS 105 Cb 0.06 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1rnm s HIS 105 CO 0.10 0.02 0.01 0.96 -0.85 0.00 0.00 174.74 174.98 1rnm s ILE 106 N -1.99 3.65 -0.14 0.60 -4.36 -1.26 -1.05 121.20 116.65 1rnm s ILE 106 Ca 0.57 -1.63 -0.00 0.00 -0.26 0.00 0.00 60.65 59.33 1rnm s ILE 106 Cb -0.12 -2.89 0.03 0.00 1.25 0.00 0.00 42.46 40.73 1rnm s ILE 106 CO 0.16 -0.23 -0.10 -0.63 0.24 0.00 0.00 174.94 174.38 1rnm s ILE 107 N -1.99 1.28 0.13 8.37 1.01 0.05 -1.26 121.20 128.78 1rnm s ILE 107 Ca 0.29 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1rnm s ILE 107 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 1rnm s ILE 107 CO 0.19 0.37 -0.17 0.68 0.00 0.00 0.00 174.94 176.01 1rnm s VAL 108 N 1.60 1.57 -0.16 2.92 -7.23 -0.71 -0.65 120.40 117.74 1rnm s VAL 108 Ca 0.04 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1rnm s VAL 108 Cb -0.13 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 1rnm s VAL 108 CO -0.09 -0.30 0.21 0.00 -0.31 0.00 0.00 175.10 174.60 1rnm s ALA 109 N -1.87 3.69 0.18 1.32 0.00 -0.73 -0.48 121.76 123.87 1rnm s ALA 109 Ca 0.10 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.60 1rnm s ALA 109 Cb -0.06 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1rnm s ALA 109 CO 0.05 0.24 -0.21 0.00 0.00 0.00 0.00 175.76 175.84 1rnm s GLU 111 N -2.76 0.99 0.25 0.00 -1.05 -0.60 -4.90 118.70 110.64 1rnm s GLU 111 Ca 0.18 -0.38 0.00 0.00 -0.15 0.00 0.00 54.97 54.62 1rnm s GLU 111 Cb -0.07 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1rnm s GLU 111 CO 0.08 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.27 1rnm n GLY 112 N -0.30 -2.27 2.72 -3.83 0.00 -1.26 -2.46 105.19 97.79 1rnm n GLY 112 Ca -0.11 -1.87 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 1rnm n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rnm s ASN 113 N -3.19 1.70 0.77 1.61 2.47 -1.26 -1.68 114.94 115.35 1rnm s ASN 113 Ca 0.00 -0.44 -0.13 0.00 0.42 0.00 0.00 52.86 52.71 1rnm s ASN 113 Cb 0.00 0.29 0.06 0.00 -1.45 0.00 0.00 41.25 40.15 1rnm s ASN 113 CO 0.00 -0.35 1.15 -2.16 -3.72 0.00 0.00 177.10 172.02 1rnm s PRO 114 N 2.30 2.02 -0.67 0.43 0.04 -1.26 -5.07 135.00 132.78 1rnm s PRO 114 Ca 0.07 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.37 1rnm s PRO 114 Cb -0.15 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1rnm s PRO 114 CO -0.17 -1.88 1.23 -0.47 0.04 0.00 0.00 177.00 175.74 1rnm s TYR 115 N -2.38 2.43 0.35 0.56 5.04 -0.68 -4.88 117.35 117.81 1rnm s TYR 115 Ca 0.69 0.13 0.05 0.00 -2.44 0.00 0.00 57.07 55.49 1rnm s TYR 115 Cb -0.24 -4.56 -0.07 0.00 0.35 0.00 0.00 41.96 37.44 1rnm s TYR 115 CO 0.49 -1.85 0.05 0.14 -1.34 0.00 0.00 175.55 173.04 1rnm s VAL 116 N 5.34 1.40 0.14 3.14 -7.23 -1.03 -4.84 120.40 117.32 1rnm s VAL 116 Ca 0.38 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.24 1rnm s VAL 116 Cb -0.08 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 1rnm s VAL 116 CO 0.19 0.00 1.36 -2.84 -0.31 0.00 0.00 175.10 173.50 1rnm s PRO 117 N -3.84 4.34 0.00 4.82 0.02 -1.26 -1.56 135.00 137.53 1rnm s PRO 117 Ca 0.35 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.44 1rnm s PRO 117 Cb 0.09 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1rnm s PRO 117 CO 0.16 -0.37 0.00 1.33 -0.33 0.00 0.00 177.00 177.79 1rnm n VAL 118 N 3.49 0.00 -3.77 3.83 0.24 0.09 -4.57 118.33 117.64 1rnm n VAL 118 Ca 0.10 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1rnm n VAL 118 Cb 0.42 0.82 -0.10 0.00 -1.47 0.00 0.00 33.84 33.51 1rnm n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnm s HIS 119 N -1.09 -0.30 -0.36 6.34 5.65 -1.10 -4.67 115.29 119.76 1rnm s HIS 119 Ca 0.00 0.69 -0.16 0.00 0.25 0.00 0.00 55.06 55.84 1rnm s HIS 119 Cb 0.00 0.11 -0.00 0.00 -1.18 0.00 0.00 32.58 31.51 1rnm s HIS 119 CO 0.00 -0.22 0.41 0.12 -0.65 0.00 0.00 174.74 174.41 1rnm s PHE 120 N -0.19 3.19 -0.16 3.88 2.19 -1.26 -1.77 117.98 123.86 1rnm s PHE 120 Ca -0.03 -0.06 -0.20 0.00 0.33 0.00 0.00 56.93 56.97 1rnm s PHE 120 Cb -0.03 -2.78 -0.23 0.00 -1.31 0.00 0.00 43.02 38.66 1rnm s PHE 120 CO 0.01 -0.52 0.44 0.22 1.83 0.00 0.00 175.22 177.20 1rnm h ASP 121 N 8.52 0.16 -5.72 6.13 3.58 -1.23 -3.49 116.42 124.37 1rnm h ASP 121 Ca -0.29 -0.74 0.31 0.00 0.42 0.00 0.00 57.03 56.74 1rnm h ASP 121 Cb 1.13 -0.05 -0.11 0.00 1.72 0.00 0.00 39.33 42.02 1rnm h ASP 121 CO 0.73 1.47 0.79 0.00 -2.88 0.00 0.00 179.24 179.36 1rnm s ALA 122 N -2.39 -2.17 -0.05 -0.78 0.00 -1.02 -4.96 121.76 110.39 1rnm s ALA 122 Ca -0.24 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1rnm s ALA 122 Cb 0.04 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 1rnm s ALA 122 CO 0.68 -1.06 -0.22 -1.54 0.00 0.00 0.00 175.76 173.62 1rnm s SER 123 N -3.01 2.70 0.00 0.00 1.04 -1.26 -0.77 113.70 112.40 1rnm s SER 123 Ca 0.15 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1rnm s SER 123 Cb 0.04 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1rnm s SER 123 CO -0.03 0.21 0.47 0.52 0.98 0.00 0.00 173.24 175.39