#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n ARG 12 N 0.00 0.00 -2.93 1.97 0.63 -1.26 -5.07 116.66 110.00 1xnr n ARG 12 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 1xnr n ARG 12 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 1xnr n ARG 12 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1xnr n GLN 13 N 0.00 -2.38 0.01 -0.14 1.13 -1.01 -4.94 117.38 110.06 1xnr n GLN 13 Ca 0.00 2.06 0.04 0.00 -1.94 0.00 0.00 57.00 57.16 1xnr n GLN 13 Cb 0.00 -4.04 -0.10 0.00 0.11 0.00 0.00 30.24 26.21 1xnr n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xnr n VAL 14 N 0.61 0.77 0.00 5.09 0.31 0.30 -4.98 118.33 120.44 1xnr n VAL 14 Ca 0.01 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1xnr n VAL 14 Cb 0.26 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1xnr n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnr n ALA 15 N -2.37 0.00 -2.69 3.52 0.00 -1.22 -4.53 120.51 113.22 1xnr n ALA 15 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 1xnr n ALA 15 Cb 0.76 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.10 1xnr n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xnr s SER 16 N -4.00 5.92 0.00 0.00 0.15 -1.26 0.18 113.70 114.69 1xnr s SER 16 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1xnr s SER 16 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1xnr s SER 16 CO 0.00 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1xnr n GLY 17 N 4.61 6.19 2.84 9.45 0.00 -0.04 -4.31 105.19 123.94 1xnr n GLY 17 Ca -0.15 -1.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 1xnr n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xnr s ARG 18 N 1.22 0.50 -0.21 1.61 3.52 -0.67 -1.87 118.95 123.05 1xnr s ARG 18 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1xnr s ARG 18 Cb 0.00 -0.63 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 1xnr s ARG 18 CO 0.00 -0.12 -0.06 0.00 -0.81 0.00 0.00 175.30 174.31 1xnr s ALA 19 N 1.01 2.77 -0.23 6.12 0.00 -0.16 -0.17 121.76 131.10 1xnr s ALA 19 Ca -0.10 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 1xnr s ALA 19 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1xnr s ALA 19 CO -0.01 -0.37 0.19 0.71 0.00 0.00 0.00 175.76 176.28 1xnr s TYR 20 N 1.36 3.33 -0.37 0.00 1.51 0.16 -0.64 117.35 122.69 1xnr s TYR 20 Ca 0.04 0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 56.35 1xnr s TYR 20 Cb -0.14 -2.30 0.08 0.00 -0.11 0.00 0.00 41.96 39.49 1xnr s TYR 20 CO -0.03 0.07 0.15 0.42 -1.11 0.00 0.00 175.55 175.04 1xnr s ILE 21 N 1.06 3.37 -0.94 2.71 1.01 0.04 -0.60 121.20 127.86 1xnr s ILE 21 Ca 0.09 -1.70 -0.14 0.00 0.00 0.00 0.00 60.65 58.90 1xnr s ILE 21 Cb -0.14 -3.14 0.20 0.00 0.01 0.00 0.00 42.46 39.40 1xnr s ILE 21 CO 0.05 -0.46 0.98 -2.28 0.00 0.00 0.00 174.94 173.23 1xnr s HIS 22 N 1.23 3.65 0.72 3.97 5.65 -0.41 -1.91 115.29 128.19 1xnr s HIS 22 Ca 0.03 -1.96 -0.11 0.00 0.25 0.00 0.00 55.06 53.27 1xnr s HIS 22 Cb -0.22 -3.99 0.03 0.00 -1.18 0.00 0.00 32.58 27.22 1xnr s HIS 22 CO -0.02 -1.15 1.11 0.00 -0.65 0.00 0.00 174.74 174.02 1xnr s ALA 23 N 0.73 2.86 -0.28 1.58 0.00 0.31 -2.49 121.76 124.47 1xnr s ALA 23 Ca 0.26 -0.45 -0.37 0.00 0.00 0.00 0.00 51.96 51.40 1xnr s ALA 23 Cb -0.08 -2.98 0.16 0.00 0.00 0.00 0.00 23.12 20.23 1xnr s ALA 23 CO -0.08 -1.25 1.37 -1.54 0.00 0.00 0.00 175.76 174.25 1xnr s SER 24 N -4.41 -0.03 0.64 0.00 1.04 -0.88 -4.33 113.70 105.74 1xnr s SER 24 Ca 0.59 0.00 0.41 0.00 0.48 0.00 0.00 55.95 57.43 1xnr s SER 24 Cb -0.11 0.03 2.24 0.00 0.10 0.00 0.00 66.02 68.28 1xnr s SER 24 CO 0.51 -0.04 2.33 1.88 0.98 0.00 0.00 173.24 178.89 1xnr h TYR 25 N 2.01 0.00 0.00 5.02 -1.99 -1.89 -2.90 116.97 117.21 1xnr h TYR 25 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1xnr h TYR 25 Cb 1.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1xnr h TYR 25 CO 0.28 0.00 -1.57 0.09 -0.00 0.00 0.00 178.16 176.96 1xnr n ASN 26 N -3.25 0.50 -3.61 3.88 3.02 -1.26 -4.77 115.26 109.77 1xnr n ASN 26 Ca -0.03 -0.37 -0.01 0.00 -0.03 0.00 0.00 54.58 54.14 1xnr n ASN 26 Cb 0.09 1.59 -0.01 0.00 -0.61 0.00 0.00 39.78 40.84 1xnr n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xnr s ASN 27 N -3.84 -0.07 -0.21 6.41 3.84 -1.09 -3.12 114.94 116.86 1xnr s ASN 27 Ca -0.02 -0.04 -0.02 0.00 0.21 0.00 0.00 52.86 52.99 1xnr s ASN 27 Cb 0.14 0.10 0.06 0.00 -0.55 0.00 0.00 41.25 41.00 1xnr s ASN 27 CO 0.86 -0.17 0.01 -0.89 -2.79 0.00 0.00 177.10 174.11 1xnr s THR 28 N -2.28 0.83 -0.09 -5.21 2.01 -1.26 -2.06 115.64 107.58 1xnr s THR 28 Ca 0.12 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1xnr s THR 28 Cb 0.02 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1xnr s THR 28 CO -0.04 -0.19 0.02 0.27 -0.69 0.00 0.00 174.62 173.99 1xnr s ILE 29 N 1.71 4.47 -0.06 1.82 -5.25 -1.04 -3.07 121.20 119.78 1xnr s ILE 29 Ca -0.02 -0.20 0.06 0.00 -0.99 0.00 0.00 60.65 59.50 1xnr s ILE 29 Cb -0.18 -2.89 -0.01 0.00 2.95 0.00 0.00 42.46 42.33 1xnr s ILE 29 CO -0.08 0.60 -0.24 -0.69 -1.79 0.00 0.00 174.94 172.74 1xnr s VAL 30 N -0.91 2.10 -0.04 8.37 1.01 -0.54 -1.29 120.40 129.11 1xnr s VAL 30 Ca 0.14 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1xnr s VAL 30 Cb -0.11 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1xnr s VAL 30 CO 0.03 0.57 -0.21 -0.89 0.00 0.00 0.00 175.10 174.59 1xnr s THR 31 N -0.15 1.74 -0.14 3.92 2.01 0.23 -1.27 115.64 121.97 1xnr s THR 31 Ca -0.04 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1xnr s THR 31 Cb -0.14 -1.46 -0.00 0.00 0.01 0.00 0.00 72.50 70.91 1xnr s THR 31 CO 0.04 0.49 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.66 1xnr s ILE 32 N -0.26 2.60 0.47 1.82 -1.09 0.01 0.37 121.20 125.12 1xnr s ILE 32 Ca 0.02 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 1xnr s ILE 32 Cb -0.11 -2.08 -0.01 0.00 -1.58 0.00 0.00 42.46 38.68 1xnr s ILE 32 CO 0.01 0.52 0.09 0.42 -1.23 0.00 0.00 174.94 174.76 1xnr s THR 33 N 0.70 0.68 0.61 2.92 -4.23 0.77 0.19 115.64 117.28 1xnr s THR 33 Ca -0.08 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 1xnr s THR 33 Cb -0.16 -2.16 0.05 0.00 1.34 0.00 0.00 72.50 71.57 1xnr s THR 33 CO 0.02 0.00 0.87 1.51 -0.54 0.00 0.00 174.62 176.47 1xnr s ASP 34 N -3.74 5.08 0.65 3.99 -4.77 -0.60 -1.67 116.67 115.60 1xnr s ASP 34 Ca 0.13 0.14 0.28 0.00 -3.30 0.00 0.00 52.55 49.81 1xnr s ASP 34 Cb 0.01 -0.93 1.53 0.00 -1.09 0.00 0.00 42.92 42.44 1xnr s ASP 34 CO 0.09 -1.33 1.88 -0.65 0.70 0.00 0.00 175.17 175.86 1xnr h PRO 35 N -0.19 0.00 0.00 2.11 0.11 -1.89 0.71 132.00 132.84 1xnr h PRO 35 Ca -0.43 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 1xnr h PRO 35 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1xnr h PRO 35 CO 0.55 0.00 -0.52 0.22 -0.21 0.00 0.00 178.00 178.03 1xnr h ASP 36 N 0.00 0.00 0.00 -2.05 -0.00 -1.96 -3.48 116.42 108.93 1xnr h ASP 36 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1xnr h ASP 36 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.16 1xnr h ASP 36 CO -0.00 0.29 0.00 0.61 -0.00 0.00 0.00 179.24 180.14 1xnr n GLY 37 N 1.20 0.92 3.65 -0.78 0.00 0.25 -5.08 105.19 105.35 1xnr n GLY 37 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1xnr n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xnr s ASN 38 N -1.80 6.77 0.13 1.61 0.01 -1.26 -4.63 114.94 115.78 1xnr s ASN 38 Ca 0.00 1.54 -0.35 0.00 -0.71 0.00 0.00 52.86 53.34 1xnr s ASN 38 Cb 0.00 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 38.96 1xnr s ASN 38 CO 0.00 -0.94 1.29 -0.81 -1.51 0.00 0.00 177.10 175.13 1xnr n PRO 39 N 7.01 1.28 -0.11 -0.60 -0.04 -1.26 -1.56 135.00 139.71 1xnr n PRO 39 Ca 0.15 0.46 -0.20 0.00 -0.04 0.00 0.00 63.50 63.86 1xnr n PRO 39 Cb 0.45 -2.05 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 1xnr n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1xnr n ILE 40 N 2.16 1.51 -4.10 0.52 5.41 0.52 -4.85 119.36 120.52 1xnr n ILE 40 Ca 0.17 -0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.69 1xnr n ILE 40 Cb 0.23 -2.08 -0.06 0.00 -0.71 0.00 0.00 39.64 37.01 1xnr n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1xnr s THR 41 N -2.49 0.00 -0.20 1.39 -4.23 -0.95 -5.02 115.64 104.15 1xnr s THR 41 Ca -0.31 -1.67 -0.27 0.00 -1.18 0.00 0.00 61.69 58.26 1xnr s THR 41 Cb 0.08 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.58 1xnr s THR 41 CO 0.47 0.00 0.88 -1.66 -0.54 0.00 0.00 174.62 173.77 1xnr s TRP 42 N -3.70 -0.56 0.32 3.99 1.48 -1.26 -0.81 118.94 118.40 1xnr s TRP 42 Ca 0.31 1.21 0.01 0.00 -1.06 0.00 0.00 56.10 56.57 1xnr s TRP 42 Cb 0.02 0.37 -0.01 0.00 -1.16 0.00 0.00 33.47 32.69 1xnr s TRP 42 CO 0.15 -0.37 0.05 0.45 -4.06 0.00 0.00 176.95 173.17 1xnr n SER 43 N 1.71 2.05 0.00 -2.66 2.88 -0.40 -4.87 113.62 112.33 1xnr n SER 43 Ca -0.14 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 1xnr n SER 43 Cb 0.56 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 1xnr n SER 43 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xnr n SER 44 N -1.45 0.00 -0.02 -3.46 3.41 -1.26 -1.46 113.62 109.37 1xnr n SER 44 Ca -0.09 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.42 1xnr n SER 44 Cb 0.44 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 1xnr n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xnr h GLY 45 N 0.00 -0.31 0.08 5.00 0.00 -1.73 -2.26 103.07 103.84 1xnr h GLY 45 Ca 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1xnr h GLY 45 CO 0.00 -0.21 -0.10 -1.33 0.00 0.00 0.00 176.54 174.90 1xnr h GLY 46 N -0.33 -0.91 -0.16 4.60 0.00 -1.86 -3.12 103.07 101.30 1xnr h GLY 46 Ca 0.12 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.86 1xnr h GLY 46 CO -0.37 -0.32 -0.09 -0.62 0.00 0.00 0.00 176.54 175.13 1xnr n VAL 47 N -2.90 -0.11 0.22 4.60 0.31 -1.08 0.18 118.33 119.55 1xnr n VAL 47 Ca -0.02 0.70 0.09 0.00 -0.01 0.00 0.00 64.34 65.09 1xnr n VAL 47 Cb 0.08 -0.89 0.47 0.00 -0.91 0.00 0.00 33.84 32.59 1xnr n VAL 47 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1xnr h ILE 48 N 0.00 0.00 0.00 2.52 1.08 -1.36 -3.45 117.51 116.30 1xnr h ILE 48 Ca 0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1xnr h ILE 48 Cb 0.07 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1xnr h ILE 48 CO -0.15 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.92 1xnr n GLY 49 N -1.27 1.79 3.74 5.37 0.00 0.47 -5.07 105.19 110.22 1xnr n GLY 49 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1xnr n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnr s TYR 50 N -1.79 3.59 -0.02 1.61 4.12 -1.19 -5.00 117.35 118.66 1xnr s TYR 50 Ca 0.00 1.59 0.06 0.00 0.02 0.00 0.00 57.07 58.74 1xnr s TYR 50 Cb 0.00 -3.28 -0.01 0.00 -1.52 0.00 0.00 41.96 37.15 1xnr s TYR 50 CO 0.00 -0.62 -0.21 0.21 0.02 0.00 0.00 175.55 174.95 1xnr s LYS 51 N -0.26 1.79 5.30 -0.62 2.36 -1.26 -3.71 119.74 123.33 1xnr s LYS 51 Ca 0.50 -0.74 0.00 0.00 -2.55 0.00 0.00 55.97 53.18 1xnr s LYS 51 Cb -0.29 -1.68 0.00 0.00 -1.05 0.00 0.00 37.83 34.81 1xnr s LYS 51 CO 0.34 0.41 0.00 0.41 1.55 0.00 0.00 175.35 178.06 1xnr n GLY 52 N 2.70 1.69 0.13 5.54 0.00 -1.26 -4.38 105.19 109.60 1xnr n GLY 52 Ca -0.16 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1xnr n GLY 52 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1xnr h SER 53 N 0.00 -0.18 0.13 1.61 0.87 -1.95 -3.28 113.55 110.76 1xnr h SER 53 Ca 0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1xnr h SER 53 Cb 0.00 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1xnr h SER 53 CO 0.00 0.40 0.00 0.08 -0.53 0.00 0.00 176.83 176.78 1xnr h ARG 54 N -0.94 0.00 -1.02 2.24 0.11 -1.95 -2.47 114.38 110.36 1xnr h ARG 54 Ca -0.02 0.00 0.27 0.00 0.10 0.00 0.00 59.98 60.33 1xnr h ARG 54 Cb 0.48 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.43 1xnr h ARG 54 CO 0.03 0.00 0.60 -0.22 0.10 0.00 0.00 179.97 180.49 1xnr h LYS 55 N 0.00 0.46 -0.24 0.08 3.64 -1.79 -0.65 116.57 118.07 1xnr h LYS 55 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xnr h LYS 55 Cb 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xnr h LYS 55 CO 0.00 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.90 1xnr n GLY 56 N -1.33 1.25 3.49 5.01 0.00 -0.93 -4.34 105.19 108.34 1xnr n GLY 56 Ca 0.28 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 1xnr n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xnr s THR 57 N -1.70 2.01 0.21 2.61 -4.23 -0.25 -4.60 115.64 109.68 1xnr s THR 57 Ca 0.35 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.02 1xnr s THR 57 Cb 0.21 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 72.06 1xnr s THR 57 CO 0.31 -0.00 1.68 1.55 -0.54 0.00 0.00 174.62 177.61 1xnr h PRO 58 N -2.66 0.00 0.35 3.99 0.13 -1.89 -2.62 132.00 129.30 1xnr h PRO 58 Ca -0.62 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.49 1xnr h PRO 58 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1xnr h PRO 58 CO 0.50 0.48 -0.17 -0.92 -0.23 0.00 0.00 178.00 177.66 1xnr h TYR 59 N 0.00 -0.44 -0.77 1.56 3.20 -1.92 0.14 116.97 118.74 1xnr h TYR 59 Ca -0.00 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.04 1xnr h TYR 59 Cb 0.99 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 39.27 1xnr h TYR 59 CO 0.00 -0.18 0.07 0.00 -1.64 0.00 0.00 178.16 176.41 1xnr h ALA 60 N -0.03 0.89 -0.03 1.82 0.00 -1.79 0.85 119.26 120.97 1xnr h ALA 60 Ca -0.05 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1xnr h ALA 60 Cb 0.45 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1xnr h ALA 60 CO 0.08 -0.42 -0.54 0.00 0.00 0.00 0.00 179.25 178.37 1xnr h ALA 61 N 1.71 -0.93 -0.42 0.00 0.00 -0.88 0.22 119.26 118.96 1xnr h ALA 61 Ca 0.44 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1xnr h ALA 61 Cb 0.79 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 19.48 1xnr h ALA 61 CO -0.64 -1.10 -0.32 0.37 0.00 0.00 0.00 179.25 177.55 1xnr h GLN 62 N -0.65 -0.09 -0.39 0.00 4.15 0.34 0.43 115.11 118.90 1xnr h GLN 62 Ca 0.02 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.53 1xnr h GLN 62 Cb 0.71 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.34 1xnr h GLN 62 CO -0.38 -0.06 -0.27 -0.07 -1.93 0.00 0.00 178.83 176.13 1xnr h LEU 63 N -0.09 -0.89 -0.37 -2.39 3.38 -0.53 0.30 115.31 114.72 1xnr h LEU 63 Ca 0.07 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.28 1xnr h LEU 63 Cb 0.27 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1xnr h LEU 63 CO -0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 178.44 177.77 1xnr h ALA 64 N 0.92 0.31 -0.02 1.53 0.00 0.68 0.18 119.26 122.86 1xnr h ALA 64 Ca 0.18 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1xnr h ALA 64 Cb 0.49 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xnr h ALA 64 CO -0.50 -0.42 -0.35 0.00 0.00 0.00 0.00 179.25 177.98 1xnr h ALA 65 N 1.34 -0.51 -0.32 0.00 0.00 0.13 -1.31 119.26 118.58 1xnr h ALA 65 Ca 0.18 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xnr h ALA 65 Cb 0.26 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1xnr h ALA 65 CO -0.33 -0.87 0.01 -0.07 0.00 0.00 0.00 179.25 178.00 1xnr h LEU 66 N -0.49 -0.10 -0.39 0.00 3.38 -0.27 -2.15 115.31 115.29 1xnr h LEU 66 Ca 0.06 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1xnr h LEU 66 Cb 0.59 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 1xnr h LEU 66 CO -0.29 -0.02 -0.24 -0.78 0.09 0.00 0.00 178.44 177.20 1xnr h ASP 67 N 0.11 -0.80 -0.64 -0.43 -0.00 -0.07 0.48 116.42 115.07 1xnr h ASP 67 Ca 0.15 0.17 0.13 0.00 -0.00 0.00 0.00 57.03 57.48 1xnr h ASP 67 Cb 0.20 0.41 -0.09 0.00 -0.00 0.00 0.00 39.33 39.84 1xnr h ASP 67 CO -0.25 -0.26 0.12 0.00 -0.00 0.00 0.00 179.24 178.85 1xnr h ALA 68 N 1.01 0.76 -0.81 -0.78 0.00 -0.65 -0.35 119.26 118.44 1xnr h ALA 68 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xnr h ALA 68 Cb 0.47 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xnr h ALA 68 CO -0.49 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.43 1xnr n ALA 69 N -2.64 -0.35 -0.18 0.00 0.00 0.01 -0.96 120.51 116.39 1xnr n ALA 69 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xnr n ALA 69 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1xnr n ALA 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xnr n LYS 70 N -1.63 -0.19 -0.35 0.00 4.81 -0.33 0.16 118.16 120.63 1xnr n LYS 70 Ca 0.00 0.94 0.15 0.00 -0.87 0.00 0.00 58.31 58.53 1xnr n LYS 70 Cb 0.00 -1.40 0.35 0.00 0.02 0.00 0.00 35.03 34.00 1xnr n LYS 70 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1xnr h LYS 71 N 0.00 0.68 0.00 1.64 1.57 -1.11 0.58 116.57 119.93 1xnr h LYS 71 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1xnr h LYS 71 Cb 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xnr h LYS 71 CO -0.41 0.45 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1xnr n ALA 72 N -2.34 2.26 -0.17 3.86 0.00 0.42 -3.54 120.51 121.01 1xnr n ALA 72 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 1xnr n ALA 72 Cb 0.63 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1xnr n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1xnr h MET 73 N 0.00 0.73 -0.64 0.00 2.86 0.63 -2.82 114.93 115.69 1xnr h MET 73 Ca 0.00 -0.14 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1xnr h MET 73 Cb 0.74 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.19 1xnr h MET 73 CO 0.00 0.66 0.16 0.00 1.06 0.00 0.00 176.91 178.78 1xnr h ALA 74 N 1.03 0.78 0.00 6.32 0.00 -1.59 1.05 119.26 126.86 1xnr h ALA 74 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1xnr h ALA 74 Cb 0.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xnr h ALA 74 CO -0.01 -0.30 0.00 0.66 0.00 0.00 0.00 179.25 179.60 1xnr n TYR 75 N -5.12 0.00 -1.00 0.00 4.02 -1.08 -4.64 117.16 109.36 1xnr n TYR 75 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1xnr n TYR 75 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 1xnr n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xnr n GLY 76 N -0.71 0.52 3.69 2.72 0.00 0.36 -0.54 105.19 111.23 1xnr n GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xnr n GLY 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xnr n MET 77 N -2.97 2.10 0.00 1.61 2.81 -1.13 -3.38 117.12 116.16 1xnr n MET 77 Ca 0.00 0.74 0.00 0.00 -1.81 0.00 0.00 57.70 56.63 1xnr n MET 77 Cb 0.00 -2.36 0.00 0.00 -0.71 0.00 0.00 33.22 30.15 1xnr n MET 77 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1xnr n GLN 78 N 1.25 0.07 -4.43 0.03 6.02 0.48 -4.69 117.38 116.10 1xnr n GLN 78 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 1xnr n GLN 78 Cb 0.34 -0.67 -0.10 0.00 1.02 0.00 0.00 30.24 30.83 1xnr n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1xnr s SER 79 N -3.25 3.20 -0.22 1.08 1.04 -1.02 0.32 113.70 114.85 1xnr s SER 79 Ca 0.00 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 55.10 1xnr s SER 79 Cb 0.00 -0.24 0.15 0.00 0.10 0.00 0.00 66.02 66.03 1xnr s SER 79 CO 0.00 -0.06 1.13 0.54 0.98 0.00 0.00 173.24 175.82 1xnr s VAL 80 N -2.70 0.00 -0.30 5.02 0.11 0.15 -0.86 120.40 121.81 1xnr s VAL 80 Ca 0.27 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.18 1xnr s VAL 80 Cb -0.03 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1xnr s VAL 80 CO 0.12 0.00 0.35 -1.81 -3.33 0.00 0.00 175.10 170.43 1xnr s ASP 81 N -0.76 6.19 0.29 3.54 1.01 -0.78 -0.56 116.67 125.59 1xnr s ASP 81 Ca 0.02 0.03 -0.21 0.00 0.71 0.00 0.00 52.55 53.11 1xnr s ASP 81 Cb -0.02 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1xnr s ASP 81 CO -0.04 -0.24 0.82 -0.69 0.21 0.00 0.00 175.17 175.23 1xnr s VAL 82 N 2.02 4.45 -0.04 -1.27 1.01 0.19 -0.99 120.40 125.77 1xnr s VAL 82 Ca 0.13 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 1xnr s VAL 82 Cb -0.16 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1xnr s VAL 82 CO 0.11 0.09 0.02 -0.63 0.00 0.00 0.00 175.10 174.69 1xnr s ILE 83 N -1.67 0.14 0.21 2.22 1.01 0.18 -2.27 121.20 121.02 1xnr s ILE 83 Ca 0.48 0.19 0.06 0.00 0.00 0.00 0.00 60.65 61.39 1xnr s ILE 83 Cb -0.16 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 1xnr s ILE 83 CO 0.21 0.18 0.15 -0.69 0.00 0.00 0.00 174.94 174.79 1xnr s VAL 84 N 1.54 4.38 -0.25 2.92 1.01 0.28 -0.78 120.40 129.50 1xnr s VAL 84 Ca -0.03 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 60.49 1xnr s VAL 84 Cb -0.13 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.02 1xnr s VAL 84 CO -0.03 -0.24 0.62 -0.13 0.00 0.00 0.00 175.10 175.32 1xnr s ARG 85 N -3.49 0.65 0.00 2.72 0.52 -0.80 -0.11 118.95 118.44 1xnr s ARG 85 Ca 0.32 1.05 0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1xnr s ARG 85 Cb -0.09 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.54 1xnr s ARG 85 CO 0.24 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1xnr n GLY 86 N 3.91 1.97 0.24 -3.53 0.00 -1.26 -0.53 105.19 105.99 1xnr n GLY 86 Ca -0.19 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 43.99 1xnr n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xnr n THR 87 N 1.78 0.00 -0.94 2.61 -2.24 -1.26 -4.73 114.28 109.50 1xnr n THR 87 Ca 0.00 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.98 1xnr n THR 87 Cb 0.00 1.12 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1xnr n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xnr n GLY 88 N 0.44 -3.43 3.63 3.38 0.00 -1.26 -4.79 105.19 103.15 1xnr n GLY 88 Ca 0.04 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1xnr n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr s ALA 89 N -1.70 3.33 0.00 4.61 0.00 -1.25 -2.85 121.76 123.91 1xnr s ALA 89 Ca 0.40 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1xnr s ALA 89 Cb -0.27 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1xnr s ALA 89 CO 0.64 -1.83 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1xnr n GLY 90 N 4.38 1.23 0.31 0.00 0.00 -1.26 -4.29 105.19 105.56 1xnr n GLY 90 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1xnr n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xnr h ARG 91 N 0.00 0.84 0.72 1.61 2.43 -1.84 -2.90 114.38 115.24 1xnr h ARG 91 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1xnr h ARG 91 Cb 0.00 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1xnr h ARG 91 CO 0.00 0.56 -0.35 0.93 -1.51 0.00 0.00 179.97 179.60 1xnr h GLU 92 N 0.86 -0.93 -0.85 0.20 4.39 -1.94 -2.73 114.58 113.58 1xnr h GLU 92 Ca 0.38 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.32 1xnr h GLU 92 Cb 0.26 0.21 -0.16 0.00 -0.10 0.00 0.00 28.75 28.97 1xnr h GLU 92 CO -0.21 -0.61 -0.18 1.96 -1.16 0.00 0.00 179.01 178.81 1xnr h GLN 93 N -1.23 0.01 -0.16 2.33 1.08 -1.87 0.62 115.11 115.89 1xnr h GLN 93 Ca -0.10 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1xnr h GLN 93 Cb 0.75 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.11 1xnr h GLN 93 CO 0.16 0.01 -0.43 0.00 -0.95 0.00 0.00 178.83 177.62 1xnr h ALA 94 N 1.84 -0.59 -0.68 3.87 0.00 -1.52 0.69 119.26 122.86 1xnr h ALA 94 Ca 0.42 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.51 1xnr h ALA 94 Cb 0.67 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1xnr h ALA 94 CO -0.86 -0.93 0.48 0.82 0.00 0.00 0.00 179.25 178.76 1xnr h ILE 95 N -0.48 0.69 0.10 0.00 2.04 0.44 0.35 117.51 120.65 1xnr h ILE 95 Ca 0.08 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xnr h ILE 95 Cb 0.63 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1xnr h ILE 95 CO -0.42 0.02 -0.05 0.03 0.00 0.00 0.00 178.15 177.73 1xnr h ARG 96 N 0.09 -0.12 -0.86 2.37 -0.00 0.25 -3.21 114.38 112.90 1xnr h ARG 96 Ca 0.33 0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.95 1xnr h ARG 96 Cb 1.18 0.03 -0.14 0.00 0.00 0.00 0.00 29.97 31.03 1xnr h ARG 96 CO -0.03 -0.08 -0.39 0.00 0.00 0.00 0.00 179.97 179.47 1xnr h ALA 97 N -1.78 0.03 0.00 0.04 0.00 0.35 1.52 119.26 119.41 1xnr h ALA 97 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1xnr h ALA 97 Cb 0.10 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xnr h ALA 97 CO 0.02 -0.67 0.29 1.28 0.00 0.00 0.00 179.25 180.17 1xnr n LEU 98 N -5.45 0.26 -0.07 0.00 4.77 0.09 0.27 117.00 116.88 1xnr n LEU 98 Ca 0.08 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.46 1xnr n LEU 98 Cb 0.38 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 1xnr n LEU 98 CO -0.09 -0.59 -0.91 0.00 -1.33 0.00 0.00 177.39 174.47 1xnr n GLN 99 N -1.89 0.67 -1.72 3.23 6.02 0.52 -4.34 117.38 119.85 1xnr n GLN 99 Ca -0.01 0.12 -0.36 0.00 -0.01 0.00 0.00 57.00 56.74 1xnr n GLN 99 Cb 0.31 -1.63 0.05 0.00 1.02 0.00 0.00 30.24 29.99 1xnr n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xnr n ALA 100 N -2.68 6.27 -0.81 -1.58 0.00 0.14 -4.16 120.51 117.70 1xnr n ALA 100 Ca -0.27 -3.86 0.04 0.00 0.00 0.00 0.00 53.44 49.35 1xnr n ALA 100 Cb 1.11 -1.72 0.05 0.00 0.00 0.00 0.00 19.45 18.90 1xnr n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xnr n SER 101 N -0.70 1.59 0.00 0.00 3.41 -1.09 -4.96 113.62 111.87 1xnr n SER 101 Ca 0.56 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 1xnr n SER 101 Cb 0.48 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1xnr n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xnr n GLY 102 N -0.72 1.83 3.45 5.00 0.00 -1.26 -4.93 105.19 108.56 1xnr n GLY 102 Ca 0.06 -0.18 -0.63 0.00 0.00 0.00 0.00 46.02 45.27 1xnr n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnr n LEU 103 N 0.00 1.04 -4.62 0.99 4.77 -1.26 -4.76 117.00 113.16 1xnr n LEU 103 Ca 0.00 1.01 -0.43 0.00 -0.03 0.00 0.00 56.01 56.56 1xnr n LEU 103 Cb 0.00 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1xnr n LEU 103 CO 0.00 -0.78 1.34 -1.58 -1.33 0.00 0.00 177.39 175.04 1xnr s GLN 104 N 3.60 3.68 -0.89 3.23 0.74 0.15 -4.69 119.66 125.48 1xnr s GLN 104 Ca 1.04 1.42 -0.25 0.00 0.05 0.00 0.00 55.36 57.62 1xnr s GLN 104 Cb -1.43 -4.04 0.04 0.00 1.10 0.00 0.00 33.01 28.68 1xnr s GLN 104 CO 0.74 -1.43 1.37 0.08 -0.55 0.00 0.00 175.29 175.50 1xnr s VAL 105 N 5.46 3.84 0.14 1.34 1.01 -1.26 -0.68 120.40 130.26 1xnr s VAL 105 Ca 0.69 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1xnr s VAL 105 Cb -0.21 -4.99 0.01 0.00 0.00 0.00 0.00 36.38 31.18 1xnr s VAL 105 CO 0.30 -1.90 1.71 0.11 0.00 0.00 0.00 175.10 175.32 1xnr h LYS 106 N 9.89 0.08 0.00 2.72 1.79 -1.18 -3.47 116.57 126.40 1xnr h LYS 106 Ca -0.01 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1xnr h LYS 106 Cb 1.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1xnr h LYS 106 CO 1.36 0.05 0.13 -1.13 -1.08 0.00 0.00 179.45 178.79 1xnr n SER 107 N -5.16 -1.78 -3.87 0.86 3.41 -1.26 -5.02 113.62 100.81 1xnr n SER 107 Ca -0.00 -2.48 -0.11 0.00 -0.26 0.00 0.00 58.87 56.01 1xnr n SER 107 Cb 0.15 3.04 -0.12 0.00 -0.26 0.00 0.00 64.21 67.01 1xnr n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xnr s ILE 108 N -2.38 0.04 0.02 -1.33 1.01 -1.25 -0.64 121.20 116.68 1xnr s ILE 108 Ca 0.17 -0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 1xnr s ILE 108 Cb -0.03 -0.23 0.01 0.00 0.01 0.00 0.00 42.46 42.22 1xnr s ILE 108 CO 0.13 -0.17 0.23 -0.69 0.00 0.00 0.00 174.94 174.43 1xnr s VAL 109 N -0.54 0.09 -0.30 2.92 1.01 -0.96 -4.98 120.40 117.64 1xnr s VAL 109 Ca -0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1xnr s VAL 109 Cb -0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1xnr s VAL 109 CO 0.00 -0.41 0.11 -0.62 0.00 0.00 0.00 175.10 174.19 1xnr s ASP 110 N -1.84 5.32 -0.10 3.32 -1.08 -1.26 0.10 116.67 121.13 1xnr s ASP 110 Ca -0.08 -0.60 0.15 0.00 -0.52 0.00 0.00 52.55 51.50 1xnr s ASP 110 Cb -0.03 -1.94 0.22 0.00 -1.46 0.00 0.00 42.92 39.72 1xnr s ASP 110 CO -0.01 -0.18 1.11 -0.67 0.52 0.00 0.00 175.17 175.94 1xnr n ASP 111 N 4.92 1.83 -4.69 -0.34 2.03 0.84 -4.92 116.55 116.23 1xnr n ASP 111 Ca -0.14 -2.84 -0.53 0.00 0.52 0.00 0.00 54.79 51.80 1xnr n ASP 111 Cb 0.49 -0.37 -0.06 0.00 -0.72 0.00 0.00 41.12 40.45 1xnr n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1xnr n THR 112 N -1.12 0.36 -1.90 5.18 -1.04 -1.19 -4.89 114.28 109.69 1xnr n THR 112 Ca 0.12 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.05 61.74 1xnr n THR 112 Cb 0.65 -1.43 0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1xnr n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xnr s PRO 113 N 3.34 3.04 -0.24 -2.82 0.04 -1.26 -4.96 135.00 132.14 1xnr s PRO 113 Ca 0.94 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1xnr s PRO 113 Cb -0.91 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 31.72 1xnr s PRO 113 CO 0.58 -1.05 0.59 0.54 0.04 0.00 0.00 177.00 177.70 1xnr s VAL 114 N -2.35 -0.05 0.81 -0.36 0.11 -1.26 -5.03 120.40 112.26 1xnr s VAL 114 Ca 0.66 0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 1xnr s VAL 114 Cb -0.19 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 33.87 1xnr s VAL 114 CO 0.39 0.01 1.15 -2.16 -3.33 0.00 0.00 175.10 171.16 1xnr s PRO 115 N 1.62 1.97 -0.90 1.54 0.04 -1.26 -4.92 135.00 133.10 1xnr s PRO 115 Ca -0.10 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 1xnr s PRO 115 Cb -0.06 -1.94 0.34 0.00 0.04 0.00 0.00 34.50 32.88 1xnr s PRO 115 CO -0.17 -1.62 1.82 0.72 0.04 0.00 0.00 177.00 177.79 1xnr n HIS 116 N -3.36 2.97 -2.41 0.56 8.25 -1.26 -4.78 115.22 115.20 1xnr n HIS 116 Ca 0.07 -2.58 -0.01 0.00 -0.26 0.00 0.00 57.72 54.94 1xnr n HIS 116 Cb 0.60 -1.09 -0.01 0.00 1.12 0.00 0.00 29.99 30.61 1xnr n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xnr n ASN 117 N -0.29 -5.52 0.00 0.41 5.03 -1.26 -5.09 115.26 108.54 1xnr n ASN 117 Ca 0.48 1.09 0.00 0.00 0.87 0.00 0.00 54.58 57.03 1xnr n ASN 117 Cb 0.28 -4.32 0.00 0.00 -1.02 0.00 0.00 39.78 34.72 1xnr n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xnr n GLY 118 N 0.68 0.14 3.75 7.41 0.00 -1.26 -5.09 105.19 110.82 1xnr n GLY 118 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1xnr n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ARG 120 N 2.46 1.83 -0.80 0.00 0.63 -1.26 -4.90 116.66 114.62 1xnr n ARG 120 Ca -0.19 0.56 -0.31 0.00 -0.92 0.00 0.00 57.85 56.99 1xnr n ARG 120 Cb 0.54 -2.90 0.15 0.00 0.45 0.00 0.00 32.46 30.71 1xnr n ARG 120 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xnr s PRO 121 N 5.75 1.22 0.71 -0.14 0.04 -1.26 -4.94 135.00 136.38 1xnr s PRO 121 Ca 1.01 1.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.42 1xnr s PRO 121 Cb -0.55 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.25 1xnr s PRO 121 CO 0.43 -2.48 1.20 1.63 0.04 0.00 0.00 177.00 177.82 1xnr n LYS 122 N -4.06 0.72 -0.18 4.56 5.02 -1.26 -4.57 118.16 118.40 1xnr n LYS 122 Ca 0.12 0.31 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 1xnr n LYS 122 Cb 0.52 -2.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.04 1xnr n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1xnr h LYS 123 N -0.04 -0.27 -0.08 1.97 3.64 -1.98 1.03 116.57 120.83 1xnr h LYS 123 Ca -0.49 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1xnr h LYS 123 Cb 1.33 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1xnr h LYS 123 CO 0.50 -0.18 0.73 1.57 -2.27 0.00 0.00 179.45 179.79 1xnr h LYS 124 N -0.28 0.00 -0.01 1.90 2.10 -2.03 0.62 116.57 118.86 1xnr h LYS 124 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1xnr h LYS 124 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 1xnr h LYS 124 CO -0.64 0.00 -0.16 1.19 -2.00 0.00 0.00 179.45 177.83 1xnr n PHE 125 N -2.75 0.00 0.00 0.07 0.99 0.35 -4.90 117.46 111.21 1xnr n PHE 125 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1xnr n PHE 125 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.25 1xnr n PHE 125 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1xnr n ARG 126 N 0.20 0.00 -0.38 -1.08 1.74 0.22 -4.65 116.66 112.71 1xnr n ARG 126 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1xnr n ARG 126 Cb 0.31 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1xnr n ARG 126 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1xnr n LYS 127 N 0.00 -0.66 -0.03 5.56 0.00 -1.26 -4.67 118.16 117.09 1xnr n LYS 127 Ca 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 58.31 58.24 1xnr n LYS 127 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 35.03 31.65 1xnr n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnr h ALA 128 N 0.00 0.25 0.00 3.14 0.00 -1.94 -3.55 119.26 117.17 1xnr h ALA 128 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xnr h ALA 128 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xnr h ALA 128 CO 0.00 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.15