#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rox h PRO 11 N 0.00 0.02 -4.91 0.00 0.14 -1.89 -3.44 132.00 121.92 2rox h PRO 11 Ca 0.00 -0.03 -0.63 0.00 0.14 0.00 0.00 66.00 65.48 2rox h PRO 11 Cb 0.00 0.01 -0.35 0.00 0.14 0.00 0.00 31.00 30.80 2rox h PRO 11 CO 0.00 0.86 -0.85 -1.17 0.14 0.00 0.00 178.00 176.98 2rox s LEU 12 N -6.55 1.89 -0.01 1.56 2.96 -1.26 0.25 118.68 117.52 2rox s LEU 12 Ca -0.01 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 2rox s LEU 12 Cb 0.09 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.51 2rox s LEU 12 CO 0.82 0.01 -0.01 -0.32 -1.32 0.00 0.00 176.35 175.54 2rox s MET 13 N 1.11 0.19 -0.01 1.98 1.75 -0.55 -4.43 119.30 119.33 2rox s MET 13 Ca -0.02 -0.01 0.08 0.00 -1.25 0.00 0.00 55.69 54.49 2rox s MET 13 Cb -0.14 -0.26 -0.02 0.00 2.84 0.00 0.00 34.83 37.25 2rox s MET 13 CO -0.06 -0.02 -0.26 0.08 -0.65 0.00 0.00 175.02 174.11 2rox s VAL 14 N 0.33 2.08 -0.07 10.11 1.01 -0.86 -0.63 120.40 132.38 2rox s VAL 14 Ca -0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 2rox s VAL 14 Cb -0.05 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2rox s VAL 14 CO -0.01 0.56 0.01 -0.75 0.00 0.00 0.00 175.10 174.91 2rox s LYS 15 N -0.67 0.54 -0.10 2.72 2.47 -0.08 -1.42 119.74 123.19 2rox s LYS 15 Ca 0.10 0.13 0.04 0.00 -1.56 0.00 0.00 55.97 54.68 2rox s LYS 15 Cb -0.10 -0.90 0.00 0.00 -1.46 0.00 0.00 37.83 35.37 2rox s LYS 15 CO -0.01 -0.29 -0.22 0.08 0.16 0.00 0.00 175.35 175.07 2rox s VAL 16 N 1.93 1.93 0.15 4.02 1.01 -0.02 -0.12 120.40 129.30 2rox s VAL 16 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.19 2rox s VAL 16 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2rox s VAL 16 CO -0.05 0.53 -0.24 -0.76 0.00 0.00 0.00 175.10 174.59 2rox s LEU 17 N 0.44 2.45 -0.28 3.92 1.43 -0.08 -1.00 118.68 125.57 2rox s LEU 17 Ca -0.17 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 2rox s LEU 17 Cb -0.17 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 2rox s LEU 17 CO 0.07 0.15 0.07 -0.62 0.23 0.00 0.00 176.35 176.26 2rox s ASP 18 N -2.34 5.08 0.00 2.29 -1.08 0.17 -0.91 116.67 119.89 2rox s ASP 18 Ca 0.18 -0.56 0.27 0.00 -0.52 0.00 0.00 52.55 51.92 2rox s ASP 18 Cb -0.09 -1.89 0.91 0.00 -1.46 0.00 0.00 42.92 40.39 2rox s ASP 18 CO 0.08 -0.14 1.69 0.00 0.52 0.00 0.00 175.17 177.32 2rox n ALA 19 N 4.88 2.93 -0.03 3.66 0.00 0.19 -1.88 120.51 130.26 2rox n ALA 19 Ca -0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 2rox n ALA 19 Cb 0.49 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 2rox n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2rox n VAL 20 N -1.41 1.35 -0.01 0.00 0.31 -1.26 -4.50 118.33 112.81 2rox n VAL 20 Ca 0.07 -0.77 0.05 0.00 -0.01 0.00 0.00 64.34 63.68 2rox n VAL 20 Cb 0.33 -0.74 -0.10 0.00 -0.91 0.00 0.00 33.84 32.42 2rox n VAL 20 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2rox n ARG 21 N -2.88 0.62 -2.61 5.55 1.74 -1.24 -5.01 116.66 112.82 2rox n ARG 21 Ca -0.19 -0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 56.74 2rox n ARG 21 Cb 1.00 -1.32 0.02 0.00 -1.02 0.00 0.00 32.46 31.14 2rox n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rox n GLY 22 N 1.80 0.57 3.27 -0.13 0.00 -0.79 -5.05 105.19 104.88 2rox n GLY 22 Ca -0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 2rox n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rox s SER 23 N -3.11 0.12 0.77 1.61 1.04 -1.08 -5.02 113.70 108.03 2rox s SER 23 Ca 0.09 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.46 2rox s SER 23 Cb -0.04 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.53 2rox s SER 23 CO 0.14 -0.83 1.15 -2.84 0.98 0.00 0.00 173.24 171.84 2rox s PRO 24 N -3.97 2.01 -0.48 4.02 0.02 -1.26 0.45 135.00 135.78 2rox s PRO 24 Ca 0.17 1.50 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 2rox s PRO 24 Cb 0.05 -1.84 0.05 0.00 0.02 0.00 0.00 34.50 32.77 2rox s PRO 24 CO -0.01 -1.88 0.58 0.00 -0.33 0.00 0.00 177.00 175.35 2rox s ALA 25 N -2.43 3.40 -0.01 -1.55 0.00 -0.17 -4.55 121.76 116.44 2rox s ALA 25 Ca 0.68 -1.64 -0.19 0.00 0.00 0.00 0.00 51.96 50.82 2rox s ALA 25 Cb -0.23 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2rox s ALA 25 CO 0.50 -1.88 0.53 0.42 0.00 0.00 0.00 175.76 175.33 2rox s ILE 26 N 2.51 4.95 -1.04 0.00 1.01 -1.26 -4.17 121.20 123.20 2rox s ILE 26 Ca 0.15 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 2rox s ILE 26 Cb -0.18 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.43 2rox s ILE 26 CO 0.13 0.46 0.22 0.59 0.00 0.00 0.00 174.94 176.34 2rox n ASN 27 N 2.51 -4.27 -4.72 3.58 3.02 -0.48 -4.97 115.26 109.93 2rox n ASN 27 Ca -0.09 -0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 2rox n ASN 27 Cb 0.51 -3.28 -0.05 0.00 -0.61 0.00 0.00 39.78 36.35 2rox n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2rox s VAL 28 N -2.81 5.11 0.08 2.41 1.01 -1.26 -4.78 120.40 120.16 2rox s VAL 28 Ca 0.11 1.23 -0.25 0.00 0.00 0.00 0.00 61.98 63.07 2rox s VAL 28 Cb -0.05 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 2rox s VAL 28 CO 0.13 0.28 0.75 0.00 0.00 0.00 0.00 175.10 176.27 2rox s ALA 29 N 0.73 3.41 -0.06 5.51 0.00 -1.26 -0.90 121.76 129.19 2rox s ALA 29 Ca 0.32 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2rox s ALA 29 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2rox s ALA 29 CO 0.15 0.15 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 2rox s VAL 30 N -0.42 0.81 -0.09 0.00 1.01 0.64 -1.67 120.40 120.69 2rox s VAL 30 Ca 0.37 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.11 2rox s VAL 30 Cb -0.21 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2rox s VAL 30 CO 0.24 0.29 -0.24 -1.00 0.00 0.00 0.00 175.10 174.38 2rox s HIS 31 N 0.83 2.53 -0.10 5.22 3.76 -0.22 -1.09 115.29 126.22 2rox s HIS 31 Ca -0.12 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 53.87 2rox s HIS 31 Cb -0.15 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2rox s HIS 31 CO 0.01 -0.35 -0.18 0.08 -0.85 0.00 0.00 174.74 173.45 2rox s VAL 32 N 0.18 2.60 0.25 -0.90 1.01 0.15 -0.35 120.40 123.33 2rox s VAL 32 Ca -0.14 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.11 2rox s VAL 32 Cb -0.17 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2rox s VAL 32 CO 0.07 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.18 2rox s PHE 33 N 0.16 2.06 -0.04 5.22 0.40 0.15 0.13 117.98 126.06 2rox s PHE 33 Ca -0.10 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 2rox s PHE 33 Cb -0.16 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.45 2rox s PHE 33 CO 0.06 0.57 -0.14 0.50 0.70 0.00 0.00 175.22 176.91 2rox s ARG 34 N -3.51 1.46 -0.43 0.44 3.52 0.51 -1.22 118.95 119.72 2rox s ARG 34 Ca 0.26 -0.47 -0.28 0.00 -0.13 0.00 0.00 55.73 55.11 2rox s ARG 34 Cb -0.04 -1.29 -0.02 0.00 -1.56 0.00 0.00 34.95 32.05 2rox s ARG 34 CO 0.12 0.17 1.78 0.21 -0.81 0.00 0.00 175.30 176.77 2rox s LYS 35 N 0.16 3.13 1.07 5.12 2.20 -0.20 -0.89 119.74 130.32 2rox s LYS 35 Ca -0.05 1.12 -0.12 0.00 -0.36 0.00 0.00 55.97 56.57 2rox s LYS 35 Cb -0.11 -4.24 0.22 0.00 -1.51 0.00 0.00 37.83 32.19 2rox s LYS 35 CO 0.02 -2.11 1.03 0.00 -0.36 0.00 0.00 175.35 173.93 2rox n ALA 36 N 10.94 -2.08 0.30 3.13 0.00 0.68 -4.80 120.51 128.69 2rox n ALA 36 Ca 0.22 -0.92 0.19 0.00 0.00 0.00 0.00 53.44 52.93 2rox n ALA 36 Cb 0.49 -2.07 1.01 0.00 0.00 0.00 0.00 19.45 18.88 2rox n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rox h ALA 37 N -2.33 1.31 -0.39 0.00 0.00 -1.93 0.17 119.26 116.09 2rox h ALA 37 Ca -0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2rox h ALA 37 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2rox h ALA 37 CO 0.45 -0.15 0.01 -0.40 0.00 0.00 0.00 179.25 179.16 2rox n ASP 38 N -3.26 4.52 -2.62 0.00 5.68 -1.26 -4.92 116.55 114.69 2rox n ASP 38 Ca -0.02 -3.02 -0.20 0.00 -0.50 0.00 0.00 54.79 51.06 2rox n ASP 38 Cb 0.21 -0.60 0.03 0.00 -1.14 0.00 0.00 41.12 39.61 2rox n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2rox n ASP 39 N -0.14 -5.56 -4.50 -1.12 2.03 0.05 -4.99 116.55 102.32 2rox n ASP 39 Ca 0.25 -0.23 -0.31 0.00 0.52 0.00 0.00 54.79 55.01 2rox n ASP 39 Cb 1.02 -4.41 -0.12 0.00 -0.72 0.00 0.00 41.12 36.90 2rox n ASP 39 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2rox s THR 40 N -3.09 3.07 -0.16 5.18 2.01 -1.24 -4.90 115.64 116.50 2rox s THR 40 Ca 0.25 -1.09 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 2rox s THR 40 Cb -0.11 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2rox s THR 40 CO 0.31 0.33 0.68 0.26 -0.69 0.00 0.00 174.62 175.51 2rox s TRP 41 N -0.97 3.44 -0.17 4.92 0.52 -1.26 0.25 118.94 125.66 2rox s TRP 41 Ca 0.16 1.08 -0.05 0.00 0.02 0.00 0.00 56.10 57.30 2rox s TRP 41 Cb -0.11 -2.84 -0.03 0.00 -1.15 0.00 0.00 33.47 29.34 2rox s TRP 41 CO 0.07 -0.11 0.01 -1.21 0.02 0.00 0.00 176.95 175.73 2rox s GLU 42 N 1.63 3.80 0.28 4.98 2.02 -0.07 -4.88 118.70 126.46 2rox s GLU 42 Ca 0.33 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 2rox s GLU 42 Cb -0.16 -3.06 -0.12 0.00 0.10 0.00 0.00 34.13 30.89 2rox s GLU 42 CO 0.13 0.23 1.56 -2.30 0.02 0.00 0.00 175.26 174.90 2rox n PRO 43 N 3.60 2.57 -0.00 0.39 -0.01 -1.26 -0.36 135.00 139.93 2rox n PRO 43 Ca -0.17 0.92 -0.00 0.00 -0.01 0.00 0.00 63.50 64.23 2rox n PRO 43 Cb 0.52 -2.68 -0.00 0.00 -0.01 0.00 0.00 33.50 31.33 2rox n PRO 43 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 2rox n PHE 44 N 2.14 0.00 -3.61 6.00 7.35 0.36 -4.80 117.46 124.90 2rox n PHE 44 Ca 0.09 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.75 2rox n PHE 44 Cb 0.36 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.14 2rox n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rox s ALA 45 N -2.01 -2.12 0.10 3.13 0.00 -0.88 -5.00 121.76 114.98 2rox s ALA 45 Ca -0.00 1.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 2rox s ALA 45 Cb 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 23.12 22.95 2rox s ALA 45 CO 0.02 -0.58 0.40 -1.54 0.00 0.00 0.00 175.76 174.06 2rox s SER 46 N -2.13 -0.25 0.07 0.00 1.04 -1.26 0.32 113.70 111.49 2rox s SER 46 Ca 0.10 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 2rox s SER 46 Cb -0.01 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2rox s SER 46 CO -0.04 -0.79 0.51 0.61 0.98 0.00 0.00 173.24 174.51 2rox n GLY 47 N 0.00 0.90 2.88 7.32 0.00 -0.25 -4.96 105.19 111.08 2rox n GLY 47 Ca -0.17 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 2rox n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rox s LYS 48 N -2.02 0.46 0.55 1.61 1.02 -1.26 -0.26 119.74 119.84 2rox s LYS 48 Ca 0.11 -0.06 -0.22 0.00 0.02 0.00 0.00 55.97 55.83 2rox s LYS 48 Cb -0.01 -0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 36.72 2rox s LYS 48 CO 0.02 -0.04 1.35 0.95 -0.92 0.00 0.00 175.35 176.71 2rox s THR 49 N 0.58 2.12 0.00 2.17 -4.23 -0.08 -4.79 115.64 111.42 2rox s THR 49 Ca -0.06 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2rox s THR 49 Cb -0.10 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2rox s THR 49 CO -0.01 -0.00 0.00 -1.54 -0.54 0.00 0.00 174.62 172.53 2rox n SER 50 N -1.06 0.00 0.20 3.99 3.41 -0.20 -1.38 113.62 118.58 2rox n SER 50 Ca 0.11 -0.89 0.18 0.00 -0.26 0.00 0.00 58.87 58.00 2rox n SER 50 Cb 0.45 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.23 2rox n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2rox h GLU 51 N 0.00 0.00 -0.55 4.33 4.39 -1.92 0.12 114.58 120.94 2rox h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rox h GLU 51 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2rox h GLU 51 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 2rox n SER 52 N -3.72 4.05 -2.21 1.42 3.41 -1.26 -4.84 113.62 110.47 2rox n SER 52 Ca 0.02 -2.30 -0.18 0.00 -0.26 0.00 0.00 58.87 56.15 2rox n SER 52 Cb 0.37 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2rox n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rox n GLY 53 N 0.92 -0.37 3.39 5.00 0.00 0.42 -4.82 105.19 109.74 2rox n GLY 53 Ca 0.22 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2rox n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rox s GLU 54 N -5.08 1.43 -0.19 1.61 2.02 -1.26 -0.84 118.70 116.39 2rox s GLU 54 Ca 0.08 -1.48 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 2rox s GLU 54 Cb -0.03 -1.67 0.07 0.00 0.10 0.00 0.00 34.13 32.59 2rox s GLU 54 CO 0.09 0.36 0.10 -1.17 0.02 0.00 0.00 175.26 174.66 2rox s LEU 55 N -2.64 0.36 0.33 1.80 2.96 -0.51 -1.03 118.68 119.95 2rox s LEU 55 Ca 0.19 -0.71 0.10 0.00 -0.22 0.00 0.00 54.13 53.49 2rox s LEU 55 Cb -0.07 -0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.32 2rox s LEU 55 CO 0.09 -0.36 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.69 2rox s HIS 56 N 2.14 2.46 0.00 5.38 3.76 -1.26 -2.02 115.29 125.75 2rox s HIS 56 Ca 0.03 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2rox s HIS 56 Cb -0.16 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.17 2rox s HIS 56 CO -0.13 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.73 2rox n GLY 57 N -0.84 0.75 0.32 -2.22 0.00 -1.26 -4.97 105.19 96.96 2rox n GLY 57 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2rox n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rox h LEU 58 N 0.00 0.79 0.00 0.99 3.38 -1.88 -3.47 115.31 115.12 2rox h LEU 58 Ca 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2rox h LEU 58 Cb 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2rox h LEU 58 CO 0.00 0.71 0.13 1.07 0.09 0.00 0.00 178.44 180.43 2rox n THR 59 N -4.32 0.00 -4.58 0.22 5.66 -1.26 -4.81 114.28 105.18 2rox n THR 59 Ca 0.05 -1.07 -0.27 0.00 -3.05 0.00 0.00 64.05 59.71 2rox n THR 59 Cb 0.16 0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 69.74 2rox n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2rox s THR 60 N -2.39 1.22 0.15 1.09 -4.23 -1.26 -4.58 115.64 105.64 2rox s THR 60 Ca 0.17 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.55 2rox s THR 60 Cb -0.03 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2rox s THR 60 CO 0.13 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.79 2rox h GLU 61 N 1.76 0.79 -0.39 3.99 4.57 -2.00 -2.18 114.58 121.13 2rox h GLU 61 Ca -0.41 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.46 2rox h GLU 61 Cb 1.27 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2rox h GLU 61 CO 0.70 0.75 -0.29 1.49 -1.18 0.00 0.00 179.01 180.48 2rox h GLU 62 N 0.69 0.83 -0.28 1.92 4.57 -2.04 -3.23 114.58 117.04 2rox h GLU 62 Ca 0.16 -0.38 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 2rox h GLU 62 Cb 0.30 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 2rox h GLU 62 CO -0.00 1.01 -0.48 1.49 -1.18 0.00 0.00 179.01 179.85 2rox h GLU 63 N 0.71 0.75 -5.67 1.92 4.81 -1.97 -3.40 114.58 111.74 2rox h GLU 63 Ca 0.08 -0.44 -0.68 0.00 -0.13 0.00 0.00 59.36 58.20 2rox h GLU 63 Cb 0.84 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.15 2rox h GLU 63 CO 0.07 1.06 1.88 0.12 -0.73 0.00 0.00 179.01 181.42 2rox s PHE 64 N -4.18 2.88 0.56 0.92 5.36 -0.82 -4.98 117.98 117.71 2rox s PHE 64 Ca -0.09 -1.58 0.03 0.00 -0.96 0.00 0.00 56.93 54.33 2rox s PHE 64 Cb 0.11 -4.65 0.05 0.00 -0.34 0.00 0.00 43.02 38.19 2rox s PHE 64 CO 0.86 -1.74 0.78 0.14 -1.46 0.00 0.00 175.22 173.80 2rox s VAL 65 N 3.81 2.56 0.73 3.12 -7.23 -1.26 -4.93 120.40 117.20 2rox s VAL 65 Ca 0.50 -0.76 -0.16 0.00 -1.81 0.00 0.00 61.98 59.75 2rox s VAL 65 Cb 0.02 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.09 2rox s VAL 65 CO 0.03 0.00 0.30 -0.62 -0.31 0.00 0.00 175.10 174.50 2rox n GLU 66 N -2.33 0.20 0.00 4.82 1.02 -1.26 -4.84 120.64 118.25 2rox n GLU 66 Ca 0.10 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2rox n GLU 66 Cb 0.60 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2rox n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rox n GLY 67 N 1.95 1.44 3.58 0.62 0.00 -1.11 -4.99 105.19 106.67 2rox n GLY 67 Ca 0.08 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2rox n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rox s ILE 68 N -1.43 5.16 0.23 -0.61 1.09 -1.26 -0.40 121.20 123.97 2rox s ILE 68 Ca 0.00 0.12 0.09 0.00 -1.10 0.00 0.00 60.65 59.76 2rox s ILE 68 Cb 0.00 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 2rox s ILE 68 CO 0.00 0.27 -0.04 -0.31 -0.10 0.00 0.00 174.94 174.76 2rox s TYR 69 N 1.65 2.68 -0.10 3.97 1.51 0.72 -1.03 117.35 126.75 2rox s TYR 69 Ca 0.07 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2rox s TYR 69 Cb -0.16 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.48 2rox s TYR 69 CO 0.09 0.58 -0.05 0.21 -1.11 0.00 0.00 175.55 175.27 2rox s LYS 70 N -3.29 1.18 -0.31 -0.62 2.20 -0.36 -1.71 119.74 116.83 2rox s LYS 70 Ca 0.29 -0.12 -0.10 0.00 -0.36 0.00 0.00 55.97 55.67 2rox s LYS 70 Cb -0.08 -1.35 -0.02 0.00 -1.51 0.00 0.00 37.83 34.88 2rox s LYS 70 CO 0.18 -0.27 0.17 0.08 -0.36 0.00 0.00 175.35 175.14 2rox s VAL 71 N 1.77 4.79 -0.20 4.02 1.01 -0.34 -0.68 120.40 130.77 2rox s VAL 71 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2rox s VAL 71 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2rox s VAL 71 CO -0.07 0.10 -0.06 -0.70 0.00 0.00 0.00 175.10 174.37 2rox s GLU 72 N 1.65 3.37 -0.22 2.72 2.12 0.52 -0.91 118.70 127.95 2rox s GLU 72 Ca 0.05 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 2rox s GLU 72 Cb -0.17 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.27 2rox s GLU 72 CO 0.07 -0.13 0.01 0.42 -0.54 0.00 0.00 175.26 175.10 2rox s ILE 73 N 1.28 3.89 -1.21 -3.70 1.01 0.63 -1.06 121.20 122.04 2rox s ILE 73 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 2rox s ILE 73 Cb -0.14 -2.78 0.11 0.00 0.01 0.00 0.00 42.46 39.65 2rox s ILE 73 CO -0.03 0.39 1.55 -0.62 0.00 0.00 0.00 174.94 176.24 2rox s ASP 74 N 1.38 6.89 0.28 3.58 -1.08 -0.67 -0.34 116.67 126.71 2rox s ASP 74 Ca 0.05 -2.55 0.07 0.00 -0.52 0.00 0.00 52.55 49.60 2rox s ASP 74 Cb -0.15 -2.50 0.39 0.00 -1.46 0.00 0.00 42.92 39.21 2rox s ASP 74 CO 0.01 -1.02 1.65 0.71 0.52 0.00 0.00 175.17 177.03 2rox h THR 75 N 5.34 1.36 -0.36 1.71 1.35 -1.88 -3.22 112.91 117.21 2rox h THR 75 Ca 0.36 -1.78 0.01 0.00 -0.55 0.00 0.00 66.41 64.44 2rox h THR 75 Cb 0.89 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 2rox h THR 75 CO 1.35 0.52 0.22 0.50 -0.25 0.00 0.00 175.52 177.86 2rox h LYS 76 N 0.13 0.44 -0.19 4.72 3.64 -1.76 -1.96 116.57 121.58 2rox h LYS 76 Ca 0.00 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2rox h LYS 76 Cb 0.96 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 2rox h LYS 76 CO 0.08 0.29 -0.29 0.77 -2.27 0.00 0.00 179.45 178.03 2rox h SER 77 N 0.45 0.37 0.02 4.20 0.02 -1.85 -2.18 113.55 114.58 2rox h SER 77 Ca 0.14 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2rox h SER 77 Cb -0.02 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2rox h SER 77 CO -0.05 0.65 -0.01 0.22 -1.14 0.00 0.00 176.83 176.51 2rox h TYR 78 N 0.32 -0.02 -0.21 3.45 3.20 -1.50 -2.54 116.97 119.68 2rox h TYR 78 Ca 0.05 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 2rox h TYR 78 Cb 0.68 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2rox h TYR 78 CO 0.02 0.14 -0.28 -1.49 -1.64 0.00 0.00 178.16 174.91 2rox h TRP 79 N -0.18 0.68 -0.86 -3.82 -0.00 -1.33 -3.20 115.95 107.24 2rox h TRP 79 Ca -0.00 -0.22 0.09 0.00 -0.00 0.00 0.00 58.89 58.76 2rox h TRP 79 Cb 0.17 -0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 29.12 2rox h TRP 79 CO -0.02 0.94 0.51 0.87 -0.00 0.00 0.00 178.44 180.74 2rox h LYS 80 N 0.23 0.84 -0.21 0.49 1.79 -0.98 0.25 116.57 118.98 2rox h LYS 80 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2rox h LYS 80 Cb 0.85 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2rox h LYS 80 CO 0.07 0.56 0.00 0.00 -1.08 0.00 0.00 179.45 178.99 2rox n ALA 81 N -2.37 2.30 -0.38 3.86 0.00 -0.96 -2.11 120.51 120.86 2rox n ALA 81 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2rox n ALA 81 Cb 0.27 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2rox n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rox n LEU 82 N -0.35 0.66 0.00 0.00 4.77 0.85 -5.01 117.00 117.92 2rox n LEU 82 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2rox n LEU 82 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2rox n LEU 82 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2rox n GLY 83 N -0.02 1.15 3.79 -0.72 0.00 -0.90 -5.04 105.19 103.45 2rox n GLY 83 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2rox n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rox s ILE 84 N -2.29 5.35 -0.36 -0.61 1.01 -1.02 -4.99 121.20 118.29 2rox s ILE 84 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 2rox s ILE 84 Cb 0.00 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.09 2rox s ILE 84 CO 0.00 0.53 0.49 -0.44 0.00 0.00 0.00 174.94 175.53 2rox s SER 85 N -0.36 6.28 0.71 3.58 0.01 -1.26 -2.33 113.70 120.34 2rox s SER 85 Ca 0.11 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 2rox s SER 85 Cb -0.12 -2.26 0.10 0.00 0.21 0.00 0.00 66.02 63.96 2rox s SER 85 CO 0.01 -0.49 0.99 -2.16 0.41 0.00 0.00 173.24 172.01 2rox s PRO 86 N 2.34 1.88 -0.16 12.44 0.04 -1.26 -5.00 135.00 145.27 2rox s PRO 86 Ca 0.17 -0.72 -0.25 0.00 0.04 0.00 0.00 61.00 60.25 2rox s PRO 86 Cb -0.16 -2.26 -0.22 0.00 0.04 0.00 0.00 34.50 31.90 2rox s PRO 86 CO 0.13 -1.35 0.52 0.35 0.04 0.00 0.00 177.00 176.69 2rox h PHE 87 N -0.56 0.00 -4.05 0.56 3.57 -1.60 -3.46 116.94 111.41 2rox h PHE 87 Ca -0.41 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.63 2rox h PHE 87 Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2rox h PHE 87 CO -0.05 1.11 0.31 -1.01 -2.23 0.00 0.00 178.31 176.44 2rox s HIS 88 N -2.24 3.38 0.04 0.41 3.76 -1.26 -5.00 115.29 114.38 2rox s HIS 88 Ca -0.22 1.47 -0.04 0.00 -0.15 0.00 0.00 55.06 56.12 2rox s HIS 88 Cb 0.00 -2.76 -0.29 0.00 1.11 0.00 0.00 32.58 30.65 2rox s HIS 88 CO 0.61 -0.19 1.00 0.93 -0.85 0.00 0.00 174.74 176.25 2rox h GLU 89 N 1.52 0.28 -2.56 1.40 4.39 -1.97 -3.39 114.58 114.25 2rox h GLU 89 Ca -0.48 -0.47 0.16 0.00 0.34 0.00 0.00 59.36 58.90 2rox h GLU 89 Cb 1.18 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 2rox h GLU 89 CO 0.62 1.18 0.59 -3.38 -1.16 0.00 0.00 179.01 176.86 2rox s HIS 90 N -2.63 0.08 -0.16 4.33 -3.43 -1.26 -3.74 115.29 108.47 2rox s HIS 90 Ca -0.07 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 53.71 2rox s HIS 90 Cb 0.07 0.71 0.03 0.00 -1.43 0.00 0.00 32.58 31.95 2rox s HIS 90 CO 0.87 -0.94 -0.12 0.00 -2.00 0.00 0.00 174.74 172.55 2rox s ALA 91 N -2.13 1.82 -0.05 -1.38 0.00 0.54 -4.87 121.76 115.69 2rox s ALA 91 Ca 0.22 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.30 2rox s ALA 91 Cb -0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2rox s ALA 91 CO 0.06 -0.50 -0.21 -1.83 0.00 0.00 0.00 175.76 173.27 2rox s GLU 92 N 1.50 2.20 -0.24 0.00 -1.05 -1.26 -0.27 118.70 119.58 2rox s GLU 92 Ca 0.03 -0.75 -0.01 0.00 -0.15 0.00 0.00 54.97 54.09 2rox s GLU 92 Cb -0.14 -1.86 0.02 0.00 -0.44 0.00 0.00 34.13 31.72 2rox s GLU 92 CO -0.10 0.29 -0.08 0.08 0.95 0.00 0.00 175.26 176.40 2rox s VAL 93 N -0.00 2.81 -0.15 1.83 1.01 -0.09 -4.98 120.40 120.83 2rox s VAL 93 Ca -0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2rox s VAL 93 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2rox s VAL 93 CO 0.03 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 2rox s VAL 94 N 1.33 3.75 0.09 2.92 1.01 -1.26 -1.20 120.40 127.04 2rox s VAL 94 Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2rox s VAL 94 Cb -0.16 -2.63 0.07 0.00 0.00 0.00 0.00 36.38 33.66 2rox s VAL 94 CO -0.05 0.50 0.61 0.72 0.00 0.00 0.00 175.10 176.87 2rox s PHE 95 N 0.33 -0.55 -0.09 5.22 -0.71 -0.69 -5.00 117.98 116.49 2rox s PHE 95 Ca -0.05 0.55 -0.15 0.00 -1.04 0.00 0.00 56.93 56.24 2rox s PHE 95 Cb -0.14 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 2rox s PHE 95 CO 0.03 -0.75 0.39 0.99 -1.34 0.00 0.00 175.22 174.54 2rox s THR 96 N -2.89 5.18 0.08 -4.49 2.01 -1.26 -0.20 115.64 114.06 2rox s THR 96 Ca -0.03 0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.82 2rox s THR 96 Cb -0.01 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2rox s THR 96 CO -0.05 0.44 -0.20 0.00 -0.69 0.00 0.00 174.62 174.12 2rox s ALA 97 N -0.04 1.69 -1.62 7.40 0.00 0.46 -4.84 121.76 124.81 2rox s ALA 97 Ca 0.22 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 2rox s ALA 97 Cb -0.15 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.84 2rox s ALA 97 CO 0.09 0.34 0.88 0.09 0.00 0.00 0.00 175.76 177.16 2rox n ASN 98 N 1.38 -3.95 0.21 0.00 3.02 -1.26 -2.77 115.26 111.90 2rox n ASN 98 Ca -0.19 -0.90 0.12 0.00 -0.03 0.00 0.00 54.58 53.58 2rox n ASN 98 Cb 0.54 -3.30 0.16 0.00 -0.61 0.00 0.00 39.78 36.56 2rox n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2rox h ASP 99 N -1.79 0.00 -2.24 6.41 2.03 -1.93 -3.30 116.42 115.60 2rox h ASP 99 Ca -0.59 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.11 2rox h ASP 99 Cb 1.38 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.46 2rox h ASP 99 CO 0.73 0.02 -0.56 -1.54 -1.03 0.00 0.00 179.24 176.85 2rox n SER 100 N -3.09 4.15 -1.34 4.15 3.41 -1.26 -5.04 113.62 114.60 2rox n SER 100 Ca 0.04 -3.54 0.17 0.00 -0.26 0.00 0.00 58.87 55.28 2rox n SER 100 Cb 0.54 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 2rox n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rox n GLY 101 N 0.43 -2.72 3.75 5.00 0.00 -1.24 -4.87 105.19 105.54 2rox n GLY 101 Ca 0.31 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 2rox n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rox s PRO 102 N -3.33 2.72 0.22 1.61 0.05 -1.26 -4.36 135.00 130.65 2rox s PRO 102 Ca 0.00 1.73 -0.04 0.00 0.05 0.00 0.00 61.00 62.74 2rox s PRO 102 Cb 0.00 -1.91 -0.03 0.00 0.05 0.00 0.00 34.50 32.61 2rox s PRO 102 CO 0.00 -1.38 0.25 1.03 0.05 0.00 0.00 177.00 176.95 2rox s ARG 103 N -3.61 1.33 -0.17 4.56 1.81 -1.26 -4.55 118.95 117.06 2rox s ARG 103 Ca 0.75 -1.52 -0.03 0.00 -1.72 0.00 0.00 55.73 53.20 2rox s ARG 103 Cb -0.28 0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 2rox s ARG 103 CO 0.38 -0.48 -0.05 1.03 -0.68 0.00 0.00 175.30 175.49 2rox s ARG 104 N -4.08 3.55 -0.12 3.54 0.52 -0.11 -4.84 118.95 117.41 2rox s ARG 104 Ca 0.34 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 2rox s ARG 104 Cb 0.04 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 2rox s ARG 104 CO 0.12 0.13 -0.17 0.71 0.02 0.00 0.00 175.30 176.10 2rox s TYR 105 N 0.63 2.71 -0.34 -0.53 1.51 0.14 -1.43 117.35 120.05 2rox s TYR 105 Ca -0.03 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.27 2rox s TYR 105 Cb -0.15 -1.79 0.10 0.00 -0.11 0.00 0.00 41.96 40.01 2rox s TYR 105 CO 0.02 -0.29 0.05 0.99 -1.11 0.00 0.00 175.55 175.21 2rox s THR 106 N 0.33 2.35 -0.42 -0.71 2.01 0.38 -1.48 115.64 118.10 2rox s THR 106 Ca -0.14 -2.25 -0.23 0.00 0.31 0.00 0.00 61.69 59.38 2rox s THR 106 Cb -0.17 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.67 2rox s THR 106 CO 0.07 -0.55 0.75 -0.63 -0.69 0.00 0.00 174.62 173.57 2rox s ILE 107 N 0.94 4.71 -0.09 1.82 -1.09 0.20 -0.82 121.20 126.87 2rox s ILE 107 Ca 0.09 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2rox s ILE 107 Cb -0.19 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2rox s ILE 107 CO -0.07 -0.61 -0.08 0.00 -1.23 0.00 0.00 174.94 172.95 2rox s ALA 108 N 3.15 2.92 0.01 9.38 0.00 -0.76 -0.91 121.76 135.56 2rox s ALA 108 Ca 0.29 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2rox s ALA 108 Cb -0.13 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2rox s ALA 108 CO 0.20 0.48 -0.11 0.00 0.00 0.00 0.00 175.76 176.33 2rox s ALA 109 N -0.49 0.92 -0.22 0.00 0.00 0.83 -2.01 121.76 120.79 2rox s ALA 109 Ca 0.07 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2rox s ALA 109 Cb -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2rox s ALA 109 CO 0.02 0.19 -0.07 -1.17 0.00 0.00 0.00 175.76 174.73 2rox s LEU 110 N -0.63 2.84 0.00 0.00 2.96 0.25 -0.90 118.68 123.21 2rox s LEU 110 Ca 0.02 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.40 2rox s LEU 110 Cb -0.06 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2rox s LEU 110 CO 0.00 -0.04 0.07 -0.76 -1.32 0.00 0.00 176.35 174.30 2rox s LEU 111 N 1.42 3.84 0.03 -0.68 1.43 -0.09 -0.91 118.68 123.73 2rox s LEU 111 Ca 0.05 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 2rox s LEU 111 Cb -0.15 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2rox s LEU 111 CO -0.05 0.27 0.21 -0.44 0.23 0.00 0.00 176.35 176.57 2rox s SER 112 N -1.76 -0.01 0.26 2.29 0.01 -0.42 -0.64 113.70 113.42 2rox s SER 112 Ca 0.23 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.17 2rox s SER 112 Cb -0.12 0.29 0.42 0.00 0.21 0.00 0.00 66.02 66.82 2rox s SER 112 CO 0.14 -0.53 1.84 -0.65 0.41 0.00 0.00 173.24 174.44 2rox h PRO 113 N 3.55 0.92 -0.10 12.44 0.11 -1.99 -2.82 132.00 144.12 2rox h PRO 113 Ca -0.32 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 2rox h PRO 113 Cb 1.19 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2rox h PRO 113 CO 0.46 0.61 -0.12 0.66 -0.21 0.00 0.00 178.00 179.41 2rox n TYR 114 N -4.64 0.34 -3.50 0.65 4.02 -1.26 -1.42 117.16 111.34 2rox n TYR 114 Ca 0.15 -1.16 -0.10 0.00 -0.01 0.00 0.00 57.90 56.78 2rox n TYR 114 Cb 0.26 -0.25 -0.02 0.00 -0.02 0.00 0.00 39.34 39.31 2rox n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2rox s SER 115 N -2.72 -0.46 -0.17 7.72 0.15 -1.07 -4.98 113.70 112.18 2rox s SER 115 Ca 0.37 -0.08 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 2rox s SER 115 Cb 0.33 0.54 0.11 0.00 -1.71 0.00 0.00 66.02 65.30 2rox s SER 115 CO 0.02 -0.90 0.94 -0.72 1.20 0.00 0.00 173.24 173.77 2rox s TYR 116 N -3.56 -0.46 0.02 3.44 -0.85 -1.26 -1.31 117.35 113.37 2rox s TYR 116 Ca 0.04 0.88 0.06 0.00 -0.52 0.00 0.00 57.07 57.52 2rox s TYR 116 Cb -0.01 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 2rox s TYR 116 CO -0.09 -0.37 -0.18 0.45 -1.52 0.00 0.00 175.55 173.84 2rox s SER 117 N -0.79 2.10 0.00 -0.18 0.15 -0.09 -4.97 113.70 109.92 2rox s SER 117 Ca -0.02 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 56.21 2rox s SER 117 Cb -0.01 -0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2rox s SER 117 CO 0.02 0.16 0.00 0.28 1.20 0.00 0.00 173.24 174.89 2rox s THR 118 N -0.63 0.03 0.06 6.45 -1.32 -1.26 0.87 115.64 119.84 2rox s THR 118 Ca 0.06 -0.27 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 2rox s THR 118 Cb -0.08 -0.10 -0.02 0.00 -1.51 0.00 0.00 72.50 70.80 2rox s THR 118 CO 0.01 -0.15 0.10 0.28 -2.21 0.00 0.00 174.62 172.64 2rox s THR 119 N -0.43 0.17 0.05 5.08 -1.32 -0.85 -5.02 115.64 113.31 2rox s THR 119 Ca -0.05 -1.36 0.08 0.00 -1.21 0.00 0.00 61.69 59.15 2rox s THR 119 Cb -0.03 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 2rox s THR 119 CO -0.00 -0.75 -0.22 0.00 -2.21 0.00 0.00 174.62 171.44 2rox s ALA 120 N -3.57 1.88 -0.26 11.08 0.00 -1.26 -1.82 121.76 127.81 2rox s ALA 120 Ca 0.03 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.90 2rox s ALA 120 Cb 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.86 2rox s ALA 120 CO -0.09 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.08 2rox s VAL 121 N -0.82 2.07 -0.21 0.00 1.01 0.00 -4.93 120.40 117.52 2rox s VAL 121 Ca 0.08 -1.58 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 2rox s VAL 121 Cb -0.09 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2rox s VAL 121 CO 0.02 -0.05 0.02 -0.69 0.00 0.00 0.00 175.10 174.40 2rox s VAL 122 N 1.14 4.07 0.05 2.92 1.01 -1.25 -0.47 120.40 127.87 2rox s VAL 122 Ca -0.08 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2rox s VAL 122 Cb -0.20 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2rox s VAL 122 CO -0.05 0.41 -0.17 0.42 0.00 0.00 0.00 175.10 175.71 2rox s THR 123 N 1.10 1.37 -0.34 3.92 -4.23 -0.51 -4.97 115.64 111.98 2rox s THR 123 Ca 0.03 -1.14 -0.18 0.00 -1.18 0.00 0.00 61.69 59.22 2rox s THR 123 Cb -0.14 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 2rox s THR 123 CO 0.02 0.06 0.51 0.21 -0.54 0.00 0.00 174.62 174.88 2rox s ASN 124 N -1.26 6.33 0.60 3.99 2.47 -1.26 -0.93 114.94 124.88 2rox s ASN 124 Ca 0.04 0.03 0.35 0.00 0.42 0.00 0.00 52.86 53.70 2rox s ASN 124 Cb -0.08 -2.27 1.94 0.00 -1.45 0.00 0.00 41.25 39.39 2rox s ASN 124 CO 0.02 -0.46 2.25 1.55 -3.72 0.00 0.00 177.10 176.74 2rox h PRO 125 N 8.41 0.00 0.00 0.43 0.13 -1.94 -3.44 132.00 135.59 2rox h PRO 125 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rox h PRO 125 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2rox h PRO 125 CO 0.76 0.02 0.00 1.17 -0.23 0.00 0.00 178.00 179.73 2rox n LYS 126 N -3.47 0.00 0.00 0.86 4.81 -1.26 -5.18 118.16 113.91 2rox n LYS 126 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2rox n LYS 126 Cb 0.12 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 2rox n LYS 126 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66