#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n ARG 3 N 0.00 0.00 0.00 0.00 0.63 -1.23 -4.79 116.66 111.27 1xnr n ARG 3 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xnr n ARG 3 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xnr n ARG 3 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1xnr n ILE 4 N 0.00 0.00 -0.56 5.15 5.41 -1.08 -4.89 119.36 123.39 1xnr n ILE 4 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 1xnr n ILE 4 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.18 1xnr n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xnr s ALA 5 N -4.00 -0.37 -0.28 -1.39 0.00 -1.26 -4.62 121.76 109.85 1xnr s ALA 5 Ca 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 1xnr s ALA 5 Cb 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.76 1xnr s ALA 5 CO 0.00 -3.79 1.12 0.41 0.00 0.00 0.00 175.76 173.50 1xnr n GLY 6 N 0.74 -0.04 1.64 0.00 0.00 -1.26 0.15 105.19 106.41 1xnr n GLY 6 Ca 0.03 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.61 1xnr n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xnr n VAL 7 N 3.31 -0.05 -2.17 1.61 0.24 -1.26 -4.89 118.33 115.12 1xnr n VAL 7 Ca 0.28 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.27 1xnr n VAL 7 Cb -0.02 -0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 31.74 1xnr n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1xnr s GLU 8 N -2.97 3.67 -0.42 7.34 0.41 0.39 -4.98 118.70 122.14 1xnr s GLU 8 Ca 0.00 0.67 -0.00 0.00 -0.41 0.00 0.00 54.97 55.23 1xnr s GLU 8 Cb 0.00 -2.16 0.20 0.00 -1.78 0.00 0.00 34.13 30.39 1xnr s GLU 8 CO 0.00 -0.41 0.93 0.96 -0.49 0.00 0.00 175.26 176.24 1xnr s ILE 9 N -2.95 -0.57 0.39 -1.63 -5.25 -1.26 -2.63 121.20 107.30 1xnr s ILE 9 Ca 0.54 -0.55 -0.23 0.00 -0.99 0.00 0.00 60.65 59.42 1xnr s ILE 9 Cb -0.11 0.00 -0.10 0.00 2.95 0.00 0.00 42.46 45.20 1xnr s ILE 9 CO 0.47 0.00 0.95 -2.16 -1.79 0.00 0.00 174.94 172.41 1xnr s PRO 10 N 0.95 4.36 -0.04 0.37 0.04 -1.26 -4.72 135.00 134.70 1xnr s PRO 10 Ca 0.26 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1xnr s PRO 10 Cb 0.07 -2.44 0.08 0.00 0.04 0.00 0.00 34.50 32.24 1xnr s PRO 10 CO -0.08 0.08 0.71 0.50 0.04 0.00 0.00 177.00 178.25 1xnr s ARG 11 N -2.70 1.03 0.00 4.56 3.52 -1.26 -3.60 118.95 120.49 1xnr s ARG 11 Ca 0.57 0.16 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 1xnr s ARG 11 Cb -0.13 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1xnr s ARG 11 CO 0.18 -0.34 0.00 -1.71 -0.81 0.00 0.00 175.30 172.62 1xnr n ASN 12 N 0.73 0.00 0.00 -2.12 5.15 -1.26 -4.78 115.26 112.97 1xnr n ASN 12 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1xnr n ASN 12 Cb 0.58 -1.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 1xnr n ASN 12 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1xnr n LYS 13 N -1.84 0.00 0.00 1.20 3.00 -1.26 -4.72 118.16 114.54 1xnr n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xnr n LYS 13 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 35.03 34.73 1xnr n LYS 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1xnr n ARG 14 N -0.52 0.00 0.00 1.64 0.63 -1.26 -4.59 116.66 112.56 1xnr n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xnr n ARG 14 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xnr n ARG 14 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1xnr n VAL 15 N 0.00 0.00 0.12 5.15 0.31 -0.97 -0.91 118.33 122.03 1xnr n VAL 15 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1xnr n VAL 15 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1xnr n VAL 15 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1xnr h ASP 16 N 0.00 -0.39 -1.01 4.52 2.03 -1.87 0.91 116.42 120.61 1xnr h ASP 16 Ca 0.00 0.03 0.24 0.00 -0.73 0.00 0.00 57.03 56.57 1xnr h ASP 16 Cb 0.00 0.12 -0.12 0.00 -0.83 0.00 0.00 39.33 38.50 1xnr h ASP 16 CO 0.00 -0.22 0.61 0.58 -1.03 0.00 0.00 179.24 179.19 1xnr h VAL 17 N -0.34 0.55 -0.53 4.15 2.07 -1.36 0.67 116.25 121.45 1xnr h VAL 17 Ca -0.03 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1xnr h VAL 17 Cb 0.28 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1xnr h VAL 17 CO 0.02 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 1xnr h ALA 18 N 1.70 0.71 0.00 1.67 0.00 -0.85 -2.76 119.26 119.73 1xnr h ALA 18 Ca 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1xnr h ALA 18 Cb 1.25 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1xnr h ALA 18 CO -0.42 0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 179.23 1xnr h LEU 19 N 0.81 0.00 -1.80 0.00 3.38 0.33 -2.25 115.31 115.79 1xnr h LEU 19 Ca 0.15 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.30 1xnr h LEU 19 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xnr h LEU 19 CO 0.03 0.07 0.51 0.74 0.09 0.00 0.00 178.44 179.88 1xnr h THR 20 N 0.00 0.70 0.00 0.22 2.02 -1.17 -0.09 112.91 114.58 1xnr h THR 20 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xnr h THR 20 Cb 0.21 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1xnr h THR 20 CO 0.01 0.03 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 1xnr n TYR 21 N -4.40 0.00 -2.70 3.16 4.02 -0.85 -4.59 117.16 111.80 1xnr n TYR 21 Ca 0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.71 1xnr n TYR 21 Cb 0.68 -0.38 -0.06 0.00 -0.02 0.00 0.00 39.34 39.57 1xnr n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xnr s ILE 22 N -2.76 4.47 0.10 -0.72 1.09 -0.05 -4.92 121.20 118.41 1xnr s ILE 22 Ca 0.03 1.33 -0.23 0.00 -1.10 0.00 0.00 60.65 60.68 1xnr s ILE 22 Cb 0.03 -3.65 -0.12 0.00 -1.06 0.00 0.00 42.46 37.66 1xnr s ILE 22 CO 0.07 -0.45 1.72 0.22 -0.10 0.00 0.00 174.94 176.41 1xnr h TYR 23 N 1.56 -0.08 -0.01 3.97 3.20 -1.88 -3.04 116.97 120.70 1xnr h TYR 23 Ca -0.48 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.39 1xnr h TYR 23 Cb 1.18 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1xnr h TYR 23 CO 0.63 -0.05 -0.04 0.41 -1.64 0.00 0.00 178.16 177.46 1xnr n GLY 24 N -1.14 -0.29 3.88 1.82 0.00 -1.26 -4.85 105.19 103.36 1xnr n GLY 24 Ca -0.06 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 1xnr n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnr s ILE 25 N -2.10 5.15 0.32 -0.61 1.01 -1.15 -4.95 121.20 118.87 1xnr s ILE 25 Ca 0.37 0.26 -0.05 0.00 0.00 0.00 0.00 60.65 61.23 1xnr s ILE 25 Cb 0.21 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1xnr s ILE 25 CO 0.37 0.21 0.47 -0.83 0.00 0.00 0.00 174.94 175.16 1xnr s GLY 26 N -2.00 1.24 0.47 6.18 0.00 -1.26 -4.64 107.32 107.32 1xnr s GLY 26 Ca 0.35 -1.37 0.34 0.00 0.00 0.00 0.00 44.72 44.04 1xnr s GLY 26 CO 0.20 -0.92 1.65 0.50 0.00 0.00 0.00 173.10 174.54 1xnr h LYS 27 N 2.17 0.09 0.00 2.90 1.79 -1.95 -2.13 116.57 119.44 1xnr h LYS 27 Ca -0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1xnr h LYS 27 Cb 1.24 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1xnr h LYS 27 CO 0.39 0.06 0.00 0.00 -1.08 0.00 0.00 179.45 178.82 1xnr n ALA 28 N -2.63 -0.06 -0.19 3.86 0.00 -1.26 -3.12 120.51 117.11 1xnr n ALA 28 Ca 0.36 0.00 0.30 0.00 0.00 0.00 0.00 53.44 54.10 1xnr n ALA 28 Cb 1.47 0.00 0.68 0.00 0.00 0.00 0.00 19.45 21.59 1xnr n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr h ARG 29 N 0.00 0.00 0.00 0.00 3.08 -1.88 -2.07 114.38 113.51 1xnr h ARG 29 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xnr h ARG 29 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xnr h ARG 29 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1xnr n ALA 30 N -2.51 -0.37 -0.56 0.04 0.00 -0.82 -0.70 120.51 115.59 1xnr n ALA 30 Ca 0.20 0.00 0.45 0.00 0.00 0.00 0.00 53.44 54.09 1xnr n ALA 30 Cb 1.17 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.36 1xnr n ALA 30 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xnr h LYS 31 N 0.00 0.01 0.00 0.00 3.64 -1.33 0.35 116.57 119.24 1xnr h LYS 31 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xnr h LYS 31 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xnr h LYS 31 CO 0.00 0.01 0.00 -1.91 -2.27 0.00 0.00 179.45 175.28 1xnr n GLU 32 N -4.43 0.00 -0.43 1.90 2.13 -0.95 -2.63 120.64 116.23 1xnr n GLU 32 Ca 0.42 0.00 0.38 0.00 0.66 0.00 0.00 57.16 58.61 1xnr n GLU 32 Cb 1.73 -0.68 0.64 0.00 0.27 0.00 0.00 31.44 33.40 1xnr n GLU 32 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xnr n ALA 33 N -0.96 1.26 0.01 4.31 0.00 0.12 0.48 120.51 125.74 1xnr n ALA 33 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 53.44 54.21 1xnr n ALA 33 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.35 1xnr n ALA 33 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1xnr h LEU 34 N 0.00 0.06 -0.02 0.00 -0.00 -0.43 -2.56 115.31 112.36 1xnr h LEU 34 Ca 0.86 -0.07 -0.11 0.00 -0.00 0.00 0.00 57.88 58.55 1xnr h LEU 34 Cb 2.65 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 43.30 1xnr h LEU 34 CO -0.52 0.11 -0.43 -0.08 -0.00 0.00 0.00 178.44 177.52 1xnr h GLU 35 N 0.00 0.32 -0.23 1.13 4.57 0.28 -1.73 114.58 118.92 1xnr h GLU 35 Ca 0.02 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1xnr h GLU 35 Cb 0.06 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1xnr h GLU 35 CO -0.00 1.00 0.00 1.17 -1.18 0.00 0.00 179.01 180.00 1xnr n LYS 36 N -4.35 0.40 0.00 1.92 4.81 0.27 -0.42 118.16 120.79 1xnr n LYS 36 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 1xnr n LYS 36 Cb 0.58 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.51 1xnr n LYS 36 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1xnr n THR 37 N -0.03 0.00 0.00 3.15 -1.04 -0.97 -4.96 114.28 110.43 1xnr n THR 37 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1xnr n THR 37 Cb 0.06 1.34 0.00 0.00 -1.82 0.00 0.00 70.33 69.91 1xnr n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xnr n GLY 38 N 0.04 2.82 3.74 3.41 0.00 0.44 -4.91 105.19 110.74 1xnr n GLY 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xnr n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xnr s ILE 39 N -1.63 2.65 0.42 -0.61 1.01 -0.95 -4.94 121.20 117.15 1xnr s ILE 39 Ca 0.00 0.52 -0.26 0.00 0.00 0.00 0.00 60.65 60.90 1xnr s ILE 39 Cb 0.00 -3.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.05 1xnr s ILE 39 CO 0.00 0.07 1.42 0.21 0.00 0.00 0.00 174.94 176.64 1xnr s ASN 40 N 0.60 6.11 -0.01 3.58 3.04 -1.26 -4.50 114.94 122.50 1xnr s ASN 40 Ca 0.62 2.91 -0.00 0.00 0.04 0.00 0.00 52.86 56.43 1xnr s ASN 40 Cb -0.42 -2.66 -0.26 0.00 -1.54 0.00 0.00 41.25 36.37 1xnr s ASN 40 CO 0.40 -1.02 0.80 -0.65 -3.04 0.00 0.00 177.10 173.59 1xnr h PRO 41 N 2.61 0.20 0.00 0.43 0.11 -1.92 -3.35 132.00 130.08 1xnr h PRO 41 Ca -0.51 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.27 1xnr h PRO 41 Cb 1.25 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1xnr h PRO 41 CO 0.62 1.02 0.00 0.00 -0.21 0.00 0.00 178.00 179.43 1xnr n ALA 42 N -2.67 1.62 -2.19 -0.75 0.00 -1.26 -3.63 120.51 111.62 1xnr n ALA 42 Ca -0.17 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 1xnr n ALA 42 Cb 1.04 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1xnr n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xnr s THR 43 N -2.00 4.57 0.49 0.00 -4.23 -1.26 -4.92 115.64 108.29 1xnr s THR 43 Ca 0.04 1.58 -0.24 0.00 -1.18 0.00 0.00 61.69 61.90 1xnr s THR 43 Cb 0.02 -4.08 -0.07 0.00 1.34 0.00 0.00 72.50 69.70 1xnr s THR 43 CO 0.03 0.47 1.39 0.54 -0.54 0.00 0.00 174.62 176.51 1xnr n ARG 44 N 2.09 2.00 0.22 3.99 3.00 -1.26 -2.29 116.66 124.40 1xnr n ARG 44 Ca -0.05 0.72 0.05 0.00 -0.01 0.00 0.00 57.85 58.56 1xnr n ARG 44 Cb 0.50 -2.59 0.49 0.00 0.00 0.00 0.00 32.46 30.86 1xnr n ARG 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xnr h VAL 45 N 1.93 1.10 0.00 1.55 2.07 -1.84 -0.69 116.25 120.36 1xnr h VAL 45 Ca -0.51 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1xnr h VAL 45 Cb 1.29 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1xnr h VAL 45 CO 0.59 0.23 0.00 2.29 0.02 0.00 0.00 177.57 180.70 1xnr n LYS 46 N -4.17 0.01 -0.09 1.57 2.85 -1.26 -1.17 118.16 115.90 1xnr n LYS 46 Ca -0.02 0.34 0.03 0.00 -1.05 0.00 0.00 58.31 57.61 1xnr n LYS 46 Cb 0.29 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.25 1xnr n LYS 46 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1xnr n ASP 47 N -1.48 2.47 -4.74 -5.58 8.00 -0.28 -5.02 116.55 109.92 1xnr n ASP 47 Ca 0.02 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 1xnr n ASP 47 Cb 0.10 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1xnr n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xnr s LEU 48 N -0.99 4.42 0.02 0.64 1.43 -0.32 -4.92 118.68 118.97 1xnr s LEU 48 Ca 0.12 2.42 -0.30 0.00 -1.03 0.00 0.00 54.13 55.33 1xnr s LEU 48 Cb 0.06 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 1xnr s LEU 48 CO 0.08 -0.51 1.37 -0.89 0.23 0.00 0.00 176.35 176.63 1xnr s THR 49 N -0.01 3.70 0.64 5.49 2.01 -1.26 -4.84 115.64 121.36 1xnr s THR 49 Ca 0.56 1.13 0.25 0.00 0.31 0.00 0.00 61.69 63.94 1xnr s THR 49 Cb -0.37 -3.72 0.28 0.00 0.01 0.00 0.00 72.50 68.70 1xnr s THR 49 CO 0.39 0.02 1.75 -0.08 -0.69 0.00 0.00 174.62 176.02 1xnr h GLU 50 N 7.52 0.00 0.39 4.92 4.57 -1.98 0.70 114.58 130.69 1xnr h GLU 50 Ca -0.39 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 1xnr h GLU 50 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1xnr h GLU 50 CO 0.88 0.00 -0.19 0.00 -1.18 0.00 0.00 179.01 178.53 1xnr h ALA 51 N 1.13 -1.07 -0.77 2.92 0.00 -2.02 -3.28 119.26 116.17 1xnr h ALA 51 Ca 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xnr h ALA 51 Cb 1.12 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1xnr h ALA 51 CO -0.00 -1.04 0.50 0.93 0.00 0.00 0.00 179.25 179.64 1xnr h GLU 52 N -0.54 0.95 0.00 0.00 5.08 -1.29 -1.71 114.58 117.06 1xnr h GLU 52 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1xnr h GLU 52 Cb 0.40 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xnr h GLU 52 CO 0.09 0.63 0.24 0.28 -1.00 0.00 0.00 179.01 179.25 1xnr n VAL 53 N -4.60 1.04 -0.05 3.13 0.31 -0.52 0.74 118.33 118.38 1xnr n VAL 53 Ca 0.09 0.51 -0.05 0.00 -0.01 0.00 0.00 64.34 64.88 1xnr n VAL 53 Cb 0.07 -1.51 -0.02 0.00 -0.91 0.00 0.00 33.84 31.47 1xnr n VAL 53 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xnr n VAL 54 N -1.31 0.92 -0.28 2.52 0.31 -0.65 -3.06 118.33 116.78 1xnr n VAL 54 Ca -0.00 0.29 -0.00 0.00 -0.01 0.00 0.00 64.34 64.62 1xnr n VAL 54 Cb 0.24 -2.04 0.06 0.00 -0.91 0.00 0.00 33.84 31.19 1xnr n VAL 54 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1xnr h ARG 55 N -0.63 -0.05 0.17 5.55 2.43 -0.99 1.12 114.38 121.99 1xnr h ARG 55 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1xnr h ARG 55 Cb 0.52 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xnr h ARG 55 CO 0.00 -0.03 -0.08 1.25 -1.51 0.00 0.00 179.97 179.60 1xnr h LEU 56 N -0.05 -0.19 0.00 3.80 6.46 0.09 -1.09 115.31 124.33 1xnr h LEU 56 Ca 0.34 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1xnr h LEU 56 Cb 0.59 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.57 1xnr h LEU 56 CO -0.83 -0.03 0.00 -1.14 -0.62 0.00 0.00 178.44 175.82 1xnr n ARG 57 N -5.14 0.00 -0.26 1.25 0.63 0.56 -1.82 116.66 111.88 1xnr n ARG 57 Ca -0.09 0.50 0.06 0.00 -0.92 0.00 0.00 57.85 57.40 1xnr n ARG 57 Cb 0.16 -1.26 0.12 0.00 0.45 0.00 0.00 32.46 31.93 1xnr n ARG 57 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1xnr n GLU 58 N -1.65 -0.06 0.00 -0.14 -0.58 0.36 -1.91 120.64 116.66 1xnr n GLU 58 Ca 0.00 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.86 1xnr n GLU 58 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 1xnr n GLU 58 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 1xnr n TYR 59 N -5.14 0.00 -0.36 -0.32 9.36 -0.42 -2.37 117.16 117.91 1xnr n TYR 59 Ca 0.13 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.38 1xnr n TYR 59 Cb 0.40 -0.05 0.10 0.00 -0.63 0.00 0.00 39.34 39.16 1xnr n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1xnr h VAL 60 N 0.00 0.01 -0.03 2.97 2.07 -0.82 0.50 116.25 120.95 1xnr h VAL 60 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xnr h VAL 60 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1xnr h VAL 60 CO 0.00 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 177.28 1xnr h GLU 61 N -0.00 0.04 -0.24 1.57 5.08 -1.44 -2.56 114.58 117.02 1xnr h GLU 61 Ca 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1xnr h GLU 61 Cb 0.68 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1xnr h GLU 61 CO -1.00 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 177.12 1xnr n ASN 62 N -4.53 2.61 -0.04 1.42 5.03 0.47 -4.43 115.26 115.79 1xnr n ASN 62 Ca -0.03 -1.93 0.02 0.00 0.87 0.00 0.00 54.58 53.52 1xnr n ASN 62 Cb 0.09 -0.16 -0.15 0.00 -1.02 0.00 0.00 39.78 38.54 1xnr n ASN 62 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1xnr n THR 63 N 0.32 0.51 -4.15 3.41 -1.04 0.15 -5.03 114.28 108.46 1xnr n THR 63 Ca 0.09 -0.57 -0.11 0.00 -2.04 0.00 0.00 64.05 61.41 1xnr n THR 63 Cb 0.37 -0.19 -0.09 0.00 -1.82 0.00 0.00 70.33 68.61 1xnr n THR 63 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1xnr s TRP 64 N -2.96 0.95 -0.39 -1.42 0.51 -1.00 -5.04 118.94 109.60 1xnr s TRP 64 Ca -0.08 -1.21 -0.05 0.00 -2.12 0.00 0.00 56.10 52.64 1xnr s TRP 64 Cb 0.09 -0.36 0.08 0.00 -0.81 0.00 0.00 33.47 32.48 1xnr s TRP 64 CO 0.77 -0.74 0.18 0.21 -0.51 0.00 0.00 176.95 176.87 1xnr s LYS 65 N -4.11 2.35 0.00 4.98 2.20 -1.26 -4.74 119.74 119.15 1xnr s LYS 65 Ca 0.35 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1xnr s LYS 65 Cb 0.05 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1xnr s LYS 65 CO 0.11 -0.92 0.00 1.28 -0.36 0.00 0.00 175.35 175.46 1xnr n LEU 66 N 4.74 0.00 0.00 5.43 4.32 -1.26 -4.73 117.00 125.49 1xnr n LEU 66 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1xnr n LEU 66 Cb 0.42 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1xnr n LEU 66 CO 0.34 -0.06 0.00 -0.62 -1.22 0.00 0.00 177.39 175.83 1xnr n GLU 67 N -0.12 0.00 -0.10 3.23 -0.58 -1.26 -2.33 120.64 119.47 1xnr n GLU 67 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1xnr n GLU 67 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1xnr n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xnr n GLY 68 N 0.00 -1.07 0.00 0.62 0.00 -1.26 0.19 105.19 103.67 1xnr n GLY 68 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1xnr n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xnr n GLU 69 N -3.71 0.00 -0.09 1.61 4.07 -1.23 -1.36 120.64 119.94 1xnr n GLU 69 Ca 0.00 0.29 -0.11 0.00 -0.06 0.00 0.00 57.16 57.28 1xnr n GLU 69 Cb 0.06 -1.70 -0.05 0.00 -0.06 0.00 0.00 31.44 29.70 1xnr n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1xnr n LEU 70 N -1.28 1.85 -0.32 4.31 0.00 0.51 -4.18 117.00 117.88 1xnr n LEU 70 Ca 0.00 0.53 0.18 0.00 0.00 0.00 0.00 56.01 56.71 1xnr n LEU 70 Cb 0.20 -0.87 0.38 0.00 0.00 0.00 0.00 43.42 43.12 1xnr n LEU 70 CO 0.00 -0.20 1.07 0.03 0.00 0.00 0.00 177.39 178.29 1xnr h ARG 71 N -1.00 0.35 -0.97 1.96 3.08 -1.11 0.97 114.38 117.66 1xnr h ARG 71 Ca -0.13 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.10 1xnr h ARG 71 Cb 0.84 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.72 1xnr h ARG 71 CO -0.08 0.23 0.62 0.00 -1.07 0.00 0.00 179.97 179.67 1xnr h ALA 72 N 1.78 1.98 0.00 0.04 0.00 -1.65 0.34 119.26 121.75 1xnr h ALA 72 Ca 0.64 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.60 1xnr h ALA 72 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xnr h ALA 72 CO -0.58 -0.32 -0.00 1.49 0.00 0.00 0.00 179.25 179.84 1xnr h GLU 73 N 0.56 -0.00 -0.84 0.00 4.81 0.81 -0.87 114.58 119.06 1xnr h GLU 73 Ca 0.53 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.85 1xnr h GLU 73 Cb 1.09 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.36 1xnr h GLU 73 CO -0.28 -0.00 -0.46 0.28 -0.73 0.00 0.00 179.01 177.83 1xnr n VAL 74 N -2.01 -0.54 -0.02 0.32 0.31 -0.98 0.11 118.33 115.52 1xnr n VAL 74 Ca -0.00 2.01 -0.09 0.00 -0.01 0.00 0.00 64.34 66.25 1xnr n VAL 74 Cb 0.00 -2.52 -0.02 0.00 -0.91 0.00 0.00 33.84 30.39 1xnr n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnr h ALA 75 N 0.58 -0.02 -0.79 3.52 0.00 -1.03 -0.55 119.26 120.96 1xnr h ALA 75 Ca 0.17 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.25 1xnr h ALA 75 Cb 0.38 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1xnr h ALA 75 CO -0.79 -0.58 0.43 0.00 0.00 0.00 0.00 179.25 178.31 1xnr h ALA 76 N 0.95 1.13 -0.71 0.00 0.00 0.17 -1.54 119.26 119.26 1xnr h ALA 76 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xnr h ALA 76 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xnr h ALA 76 CO -0.27 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.10 1xnr n ASN 77 N -4.79 0.00 -0.35 0.00 3.02 0.30 -1.63 115.26 111.81 1xnr n ASN 77 Ca 0.13 0.88 0.13 0.00 -0.03 0.00 0.00 54.58 55.70 1xnr n ASN 77 Cb 0.30 -0.38 0.27 0.00 -0.61 0.00 0.00 39.78 39.36 1xnr n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1xnr h ILE 78 N 0.00 0.01 -0.59 2.41 2.04 -1.18 2.35 117.51 122.56 1xnr h ILE 78 Ca 0.00 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1xnr h ILE 78 Cb 0.00 0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 1xnr h ILE 78 CO 0.00 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.69 1xnr h LYS 79 N 0.00 0.15 -0.18 2.37 3.64 -1.17 0.16 116.57 121.55 1xnr h LYS 79 Ca 0.58 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.00 1xnr h LYS 79 Cb 1.16 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 1xnr h LYS 79 CO -0.94 0.10 -0.39 0.00 -2.27 0.00 0.00 179.45 175.95 1xnr h ARG 80 N 0.16 -0.41 -1.14 1.90 3.08 0.49 0.87 114.38 119.32 1xnr h ARG 80 Ca 0.31 0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.73 1xnr h ARG 80 Cb 0.49 0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.51 1xnr h ARG 80 CO -0.47 -0.28 0.72 -0.07 -1.07 0.00 0.00 179.97 178.80 1xnr h LEU 81 N -0.43 0.38 0.00 3.04 3.38 0.13 0.89 115.31 122.70 1xnr h LEU 81 Ca 0.10 0.13 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1xnr h LEU 81 Cb 0.59 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1xnr h LEU 81 CO -0.42 -0.08 -0.91 0.24 0.09 0.00 0.00 178.44 177.36 1xnr h MET 82 N 0.25 0.00 -0.52 1.13 2.86 0.15 -3.26 114.93 115.55 1xnr h MET 82 Ca 0.72 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.36 1xnr h MET 82 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.64 1xnr h MET 82 CO -0.42 0.60 0.00 -0.25 1.06 0.00 0.00 176.91 177.90 1xnr n ASP 83 N -3.18 1.07 -2.75 1.22 8.00 0.31 -3.89 116.55 117.32 1xnr n ASP 83 Ca -0.02 -2.06 -0.09 0.00 0.71 0.00 0.00 54.79 53.33 1xnr n ASP 83 Cb 0.84 -0.29 0.08 0.00 -0.02 0.00 0.00 41.12 41.72 1xnr n ASP 83 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1xnr n ILE 84 N -0.07 0.22 0.00 0.53 -5.35 -1.10 -5.02 119.36 108.57 1xnr n ILE 84 Ca 0.03 -2.21 0.00 0.00 -0.27 0.00 0.00 62.75 60.31 1xnr n ILE 84 Cb 0.23 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 1xnr n ILE 84 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xnr n GLY 85 N -0.18 3.23 1.34 3.28 0.00 -1.25 -4.91 105.19 106.70 1xnr n GLY 85 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xnr n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr h TYR 87 N 0.68 -0.10 -0.42 0.00 3.20 -1.91 1.16 116.97 119.59 1xnr h TYR 87 Ca -0.03 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1xnr h TYR 87 Cb 0.06 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.47 1xnr h TYR 87 CO 0.00 -0.43 0.04 -0.09 -1.64 0.00 0.00 178.16 176.03 1xnr h ARG 88 N 0.01 0.15 -0.82 1.82 9.65 -1.89 0.16 114.38 123.45 1xnr h ARG 88 Ca 0.59 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.45 1xnr h ARG 88 Cb 1.17 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.68 1xnr h ARG 88 CO -0.93 0.10 0.50 0.78 2.80 0.00 0.00 179.97 183.21 1xnr h GLY 89 N 0.15 1.18 0.98 2.80 0.00 0.12 -2.20 103.07 106.11 1xnr h GLY 89 Ca 0.21 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xnr h GLY 89 CO -0.31 0.47 0.25 -2.00 0.00 0.00 0.00 176.54 174.95 1xnr h LEU 90 N 1.13 0.51 -1.02 3.11 5.85 0.99 -2.17 115.31 123.71 1xnr h LEU 90 Ca 0.29 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1xnr h LEU 90 Cb -0.05 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1xnr h LEU 90 CO -0.06 0.42 0.39 0.03 -0.34 0.00 0.00 178.44 178.89 1xnr h ARG 91 N 0.56 1.09 -0.50 1.25 2.47 -0.23 -0.93 114.38 118.08 1xnr h ARG 91 Ca 0.15 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1xnr h ARG 91 Cb 0.01 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 1xnr h ARG 91 CO -0.03 0.82 0.12 0.45 0.56 0.00 0.00 179.97 181.89 1xnr h HIS 92 N 1.09 0.78 0.00 3.04 3.86 -1.14 0.14 115.15 122.91 1xnr h HIS 92 Ca 0.27 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1xnr h HIS 92 Cb 0.07 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1xnr h HIS 92 CO 0.01 0.66 -0.01 -0.09 0.86 0.00 0.00 177.93 179.36 1xnr h ARG 93 N 0.74 0.00 0.00 2.45 2.43 -0.57 -3.11 114.38 116.31 1xnr h ARG 93 Ca 0.16 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1xnr h ARG 93 Cb 0.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1xnr h ARG 93 CO -0.00 0.01 -2.12 0.54 -1.51 0.00 0.00 179.97 176.89 1xnr n ARG 94 N -3.10 0.68 -0.61 0.20 5.12 -0.50 -4.98 116.66 113.47 1xnr n ARG 94 Ca 0.01 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1xnr n ARG 94 Cb 0.34 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1xnr n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xnr n GLY 95 N 1.43 0.71 3.86 -0.13 0.00 0.41 -5.04 105.19 106.42 1xnr n GLY 95 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1xnr n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnr s LEU 96 N 0.00 4.29 0.89 0.99 1.43 -1.09 -3.57 118.68 121.61 1xnr s LEU 96 Ca 0.00 0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 53.88 1xnr s LEU 96 Cb 0.00 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 1xnr s LEU 96 CO 0.00 0.07 -0.36 -0.81 0.23 0.00 0.00 176.35 175.48 1xnr n PRO 97 N 0.53 -0.02 -1.63 1.29 -0.04 -1.26 -4.55 135.00 129.31 1xnr n PRO 97 Ca -0.04 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1xnr n PRO 97 Cb 0.52 -1.23 0.08 0.00 -0.04 0.00 0.00 33.50 32.82 1xnr n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1xnr n VAL 98 N -2.53 1.29 -2.69 0.52 0.31 -1.26 -4.85 118.33 109.12 1xnr n VAL 98 Ca 0.02 -2.56 -0.08 0.00 -0.01 0.00 0.00 64.34 61.72 1xnr n VAL 98 Cb 0.54 0.37 0.04 0.00 -0.91 0.00 0.00 33.84 33.88 1xnr n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xnr n ARG 99 N -0.38 1.22 -2.95 5.55 1.74 -1.26 -5.01 116.66 115.57 1xnr n ARG 99 Ca 0.16 -3.09 -0.07 0.00 -0.77 0.00 0.00 57.85 54.09 1xnr n ARG 99 Cb 0.92 -1.12 0.01 0.00 -1.02 0.00 0.00 32.46 31.25 1xnr n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xnr n GLY 100 N -0.21 -1.25 3.13 -0.13 0.00 -1.26 -5.05 105.19 100.42 1xnr n GLY 100 Ca 0.07 1.01 -0.08 0.00 0.00 0.00 0.00 46.02 47.03 1xnr n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xnr s GLN 101 N -2.76 0.72 -0.15 1.61 -0.21 -1.26 -5.13 119.66 112.48 1xnr s GLN 101 Ca 0.17 -1.22 -0.26 0.00 0.02 0.00 0.00 55.36 54.08 1xnr s GLN 101 Cb -0.05 0.24 -0.02 0.00 1.00 0.00 0.00 33.01 34.19 1xnr s GLN 101 CO 0.77 -0.17 0.86 -0.98 -2.12 0.00 0.00 175.29 173.64 1xnr s ARG 102 N -3.94 4.33 0.00 2.91 1.70 -1.26 -4.92 118.95 117.77 1xnr s ARG 102 Ca 0.10 1.08 0.23 0.00 -0.47 0.00 0.00 55.73 56.67 1xnr s ARG 102 Cb 0.07 -3.56 0.10 0.00 -0.57 0.00 0.00 34.95 31.00 1xnr s ARG 102 CO -0.08 -0.30 1.14 0.25 -1.08 0.00 0.00 175.30 175.24 1xnr n THR 103 N 4.63 0.00 0.02 4.99 -2.24 -1.26 -4.32 114.28 116.10 1xnr n THR 103 Ca 0.05 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 1xnr n THR 103 Cb 0.49 0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1xnr n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1xnr h ARG 104 N 1.01 -0.55 0.00 -0.78 9.65 -2.04 -3.44 114.38 118.23 1xnr h ARG 104 Ca 0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1xnr h ARG 104 Cb 0.59 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1xnr h ARG 104 CO 0.00 -0.37 0.00 0.25 2.80 0.00 0.00 179.97 182.65 1xnr n THR 105 N -5.15 0.00 0.00 0.20 -2.24 -1.26 -5.02 114.28 100.81 1xnr n THR 105 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1xnr n THR 105 Cb 0.35 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1xnr n THR 105 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xnr n ASN 106 N -1.11 0.00 -0.48 3.42 6.94 -1.26 -4.84 115.26 117.93 1xnr n ASN 106 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1xnr n ASN 106 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1xnr n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xnr n ALA 107 N 0.00 1.87 -0.01 -2.53 0.00 -1.26 -4.80 120.51 113.78 1xnr n ALA 107 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xnr n ALA 107 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 1xnr n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr h ARG 108 N 0.00 -0.01 -0.56 0.00 2.47 -1.88 -0.10 114.38 114.30 1xnr h ARG 108 Ca -0.03 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.79 1xnr h ARG 108 Cb 0.92 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.14 1xnr h ARG 108 CO -0.02 -0.01 -0.17 2.41 0.56 0.00 0.00 179.97 182.75 1xnr n THR 109 N -2.85 -0.26 -0.03 2.04 -1.04 -1.26 0.12 114.28 111.01 1xnr n THR 109 Ca -0.00 1.29 -0.13 0.00 -2.04 0.00 0.00 64.05 63.16 1xnr n THR 109 Cb 0.01 -1.75 -0.11 0.00 -1.82 0.00 0.00 70.33 66.66 1xnr n THR 109 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1xnr h ARG 110 N 0.00 0.02 -0.27 -2.82 9.65 -1.75 -3.36 114.38 115.85 1xnr h ARG 110 Ca 0.24 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.95 1xnr h ARG 110 Cb 0.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1xnr h ARG 110 CO -0.57 0.70 -0.45 0.87 2.80 0.00 0.00 179.97 183.32 1xnr h LYS 111 N -0.64 0.69 0.00 0.20 1.57 0.22 -3.45 116.57 115.16 1xnr h LYS 111 Ca -0.00 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1xnr h LYS 111 Cb 0.70 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1xnr h LYS 111 CO 0.00 1.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.29 1xnr n GLY 112 N 0.12 -1.51 3.75 3.86 0.00 0.33 -4.99 105.19 106.75 1xnr n GLY 112 Ca -0.02 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 1xnr n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xnr s PRO 113 N 0.00 3.21 0.35 1.61 0.02 -1.26 -4.71 135.00 134.22 1xnr s PRO 113 Ca 0.00 2.30 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 1xnr s PRO 113 Cb 0.00 -2.32 -0.10 0.00 0.02 0.00 0.00 34.50 32.10 1xnr s PRO 113 CO 0.00 -1.16 1.33 1.03 -0.33 0.00 0.00 177.00 177.87 1xnr s ARG 114 N -2.84 4.24 -0.71 5.54 0.52 -1.26 -4.96 118.95 119.48 1xnr s ARG 114 Ca 0.70 2.25 0.02 0.00 -0.52 0.00 0.00 55.73 58.18 1xnr s ARG 114 Cb -0.42 -2.99 0.36 0.00 0.52 0.00 0.00 34.95 32.43 1xnr s ARG 114 CO 0.50 -0.30 1.51 1.63 0.02 0.00 0.00 175.30 178.66 1xnr n LYS 115 N 0.60 3.55 -1.09 3.54 4.01 -1.26 -5.07 118.16 122.45 1xnr n LYS 115 Ca 0.01 -4.29 -0.40 0.00 -0.51 0.00 0.00 58.31 53.12 1xnr n LYS 115 Cb 0.42 -2.30 -0.04 0.00 -0.51 0.00 0.00 35.03 32.60 1xnr n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1xnr n THR 116 N -0.38 0.90 -3.29 -0.18 -1.04 -1.26 -4.99 114.28 104.04 1xnr n THR 116 Ca 0.44 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1xnr n THR 116 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1xnr n THR 116 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xnr n VAL 117 N 0.46 0.00 -2.19 12.58 0.24 -1.26 -5.06 118.33 123.10 1xnr n VAL 117 Ca 0.14 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 1xnr n VAL 117 Cb 0.14 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 1xnr n VAL 117 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xnr n ALA 118 N -3.00 5.03 -1.40 2.33 0.00 -1.26 -5.00 120.51 117.22 1xnr n ALA 118 Ca 0.00 -4.07 -0.42 0.00 0.00 0.00 0.00 53.44 48.95 1xnr n ALA 118 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 19.45 16.16 1xnr n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnr n GLY 119 N 3.80 -1.93 3.35 0.00 0.00 -1.26 -4.82 105.19 104.33 1xnr n GLY 119 Ca 0.46 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1xnr n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xnr n LYS 120 N 0.82 0.22 -3.68 1.61 3.00 -1.26 -4.96 118.16 113.91 1xnr n LYS 120 Ca 0.11 0.09 -0.29 0.00 -0.00 0.00 0.00 58.31 58.23 1xnr n LYS 120 Cb 0.40 -1.44 -0.12 0.00 0.00 0.00 0.00 35.03 33.87 1xnr n LYS 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1xnr s LYS 121 N -1.94 1.44 0.00 1.64 2.47 -1.26 -4.72 119.74 117.37 1xnr s LYS 121 Ca 0.61 -2.29 0.00 0.00 -1.56 0.00 0.00 55.97 52.72 1xnr s LYS 121 Cb -0.40 -2.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.62 1xnr s LYS 121 CO 0.62 -1.24 0.00 1.17 0.16 0.00 0.00 175.35 176.07 1xnr n LYS 122 N 3.08 0.00 -4.77 4.03 3.00 -1.26 -5.14 118.16 117.10 1xnr n LYS 122 Ca 0.15 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.20 1xnr n LYS 122 Cb 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 35.24 1xnr n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnr s ALA 123 N 0.00 1.51 -0.37 3.14 0.00 -1.26 -5.09 121.76 119.69 1xnr s ALA 123 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1xnr s ALA 123 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 1xnr s ALA 123 CO 0.00 0.17 2.28 -2.14 0.00 0.00 0.00 175.76 176.07 1xnr s PRO 124 N 0.56 2.61 0.00 0.00 0.02 -1.26 -4.85 135.00 132.08 1xnr s PRO 124 Ca -0.15 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1xnr s PRO 124 Cb -0.16 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.89 1xnr s PRO 124 CO 0.05 -2.70 1.24 2.89 -0.33 0.00 0.00 177.00 178.16 1xnr n ARG 125 N 8.89 0.81 0.00 5.54 -4.01 -1.26 -5.23 116.66 121.40 1xnr n ARG 125 Ca 0.33 0.00 0.04 0.00 -1.04 0.00 0.00 57.85 57.18 1xnr n ARG 125 Cb 0.50 -1.09 0.04 0.00 -3.04 0.00 0.00 32.46 28.86 1xnr n ARG 125 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95