#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr4 n GLY 3 N 0.00 0.65 3.32 -0.13 0.00 -1.26 -5.03 105.19 102.75 1nr4 n GLY 3 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1nr4 n GLY 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nr4 s THR 4 N -2.05 0.88 -0.39 2.61 -4.23 -1.26 -5.04 115.64 106.15 1nr4 s THR 4 Ca 0.00 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 58.76 1nr4 s THR 4 Cb 0.00 -2.39 0.30 0.00 1.34 0.00 0.00 72.50 71.76 1nr4 s THR 4 CO 0.00 -0.27 1.78 0.78 -0.54 0.00 0.00 174.62 176.37 1nr4 h ASN 5 N 2.48 0.00 -2.37 3.99 2.35 -1.96 -3.40 115.58 116.66 1nr4 h ASN 5 Ca -0.38 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.79 1nr4 h ASN 5 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1nr4 h ASN 5 CO 0.64 0.00 1.34 -0.69 -1.65 0.00 0.00 177.43 177.07 1nr4 s VAL 6 N -3.34 3.26 0.00 2.81 1.01 -1.26 -1.32 120.40 121.56 1nr4 s VAL 6 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1nr4 s VAL 6 Cb 0.09 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1nr4 s VAL 6 CO 0.51 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1nr4 n GLY 7 N 5.35 0.65 3.72 4.51 0.00 -1.26 -4.80 105.19 113.35 1nr4 n GLY 7 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1nr4 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nr4 s ARG 8 N -0.01 4.53 -0.18 1.61 3.52 -0.44 -5.05 118.95 122.93 1nr4 s ARG 8 Ca 0.00 1.25 -0.07 0.00 -0.13 0.00 0.00 55.73 56.78 1nr4 s ARG 8 Cb 0.00 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 1nr4 s ARG 8 CO 0.00 0.03 0.05 -2.00 -0.81 0.00 0.00 175.30 172.57 1nr4 s GLU 9 N 0.78 3.92 0.10 5.12 2.56 -1.26 -5.05 118.70 124.87 1nr4 s GLU 9 Ca 0.47 -0.37 0.08 0.00 0.00 0.00 0.00 54.97 55.14 1nr4 s GLU 9 Cb -0.20 -3.17 -0.03 0.00 2.00 0.00 0.00 34.13 32.72 1nr4 s GLU 9 CO 0.25 0.26 -0.21 0.00 -0.56 0.00 0.00 175.26 175.01 1nr4 h LEU 12 N 9.93 0.97 -7.53 0.00 5.85 -1.99 -3.40 115.31 119.15 1nr4 h LEU 12 Ca -0.25 -0.50 -0.12 0.00 0.84 0.00 0.00 57.88 57.85 1nr4 h LEU 12 Cb 1.09 -0.28 -0.20 0.00 0.37 0.00 0.00 40.66 41.64 1nr4 h LEU 12 CO 0.93 1.29 -0.29 -1.61 -0.34 0.00 0.00 178.44 178.42 1nr4 s GLU 13 N -4.22 0.65 0.33 1.25 0.41 -1.26 -5.00 118.70 110.86 1nr4 s GLU 13 Ca -0.11 -0.20 -0.25 0.00 -0.41 0.00 0.00 54.97 54.00 1nr4 s GLU 13 Cb 0.11 0.29 -0.10 0.00 -1.78 0.00 0.00 34.13 32.64 1nr4 s GLU 13 CO 0.89 -0.18 0.93 0.71 -0.49 0.00 0.00 175.26 177.12 1nr4 s TYR 14 N -1.31 3.65 0.20 1.61 4.12 -1.26 -4.76 117.35 119.59 1nr4 s TYR 14 Ca -0.14 1.73 -0.30 0.00 0.02 0.00 0.00 57.07 58.38 1nr4 s TYR 14 Cb -0.05 -2.89 -0.09 0.00 -1.52 0.00 0.00 41.96 37.40 1nr4 s TYR 14 CO 0.04 0.19 1.38 0.12 0.02 0.00 0.00 175.55 177.30 1nr4 s PHE 15 N -1.67 3.16 -0.13 2.71 5.36 0.18 -4.98 117.98 122.61 1nr4 s PHE 15 Ca 0.51 1.08 -0.05 0.00 -0.96 0.00 0.00 56.93 57.51 1nr4 s PHE 15 Cb -0.17 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1nr4 s PHE 15 CO 0.22 -2.33 0.03 -1.59 -1.46 0.00 0.00 175.22 170.10 1nr4 s LYS 16 N 0.05 3.50 0.00 10.12 -2.85 -1.26 -4.83 119.74 124.47 1nr4 s LYS 16 Ca 0.60 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 55.19 1nr4 s LYS 16 Cb -0.39 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.38 1nr4 s LYS 16 CO 0.38 0.48 0.00 0.41 0.10 0.00 0.00 175.35 176.73 1nr4 n GLY 17 N 2.84 1.09 3.72 0.59 0.00 -1.26 -5.05 105.19 107.11 1nr4 n GLY 17 Ca -0.18 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.17 1nr4 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nr4 s ALA 18 N -1.11 3.30 0.01 4.61 0.00 -1.26 -4.98 121.76 122.33 1nr4 s ALA 18 Ca 0.00 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1nr4 s ALA 18 Cb 0.00 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 1nr4 s ALA 18 CO 0.00 -0.30 1.45 0.42 0.00 0.00 0.00 175.76 177.33 1nr4 s ILE 19 N 0.79 3.60 -1.22 0.00 1.01 -1.26 -4.93 121.20 119.19 1nr4 s ILE 19 Ca 0.54 0.99 -0.21 0.00 0.00 0.00 0.00 60.65 61.97 1nr4 s ILE 19 Cb -0.26 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 1nr4 s ILE 19 CO 0.30 -0.01 1.83 -2.16 0.00 0.00 0.00 174.94 174.90 1nr4 s PRO 20 N 2.51 3.20 0.20 2.79 0.04 -1.26 -4.87 135.00 137.61 1nr4 s PRO 20 Ca 0.66 -1.50 -0.11 0.00 0.04 0.00 0.00 61.00 60.08 1nr4 s PRO 20 Cb -0.33 -5.37 0.24 0.00 0.04 0.00 0.00 34.50 29.08 1nr4 s PRO 20 CO 0.27 -3.13 1.72 1.25 0.04 0.00 0.00 177.00 177.15 1nr4 h LEU 21 N 15.26 0.03 -2.46 -3.56 5.85 -1.99 -1.27 115.31 127.18 1nr4 h LEU 21 Ca 0.31 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.12 1nr4 h LEU 21 Cb 0.91 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1nr4 h LEU 21 CO 1.34 0.04 -0.02 0.08 -0.34 0.00 0.00 178.44 179.53 1nr4 h ARG 22 N 0.27 0.00 0.00 1.25 0.11 -2.04 -2.49 114.38 111.48 1nr4 h ARG 22 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1nr4 h ARG 22 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1nr4 h ARG 22 CO -0.35 0.02 -0.33 1.63 0.10 0.00 0.00 179.97 181.05 1nr4 n LYS 23 N -3.63 0.08 -2.32 0.08 5.02 -0.49 -4.91 118.16 111.99 1nr4 n LYS 23 Ca -0.03 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1nr4 n LYS 23 Cb 0.11 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1nr4 n LYS 23 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nr4 s LEU 24 N -3.38 4.44 -0.09 -0.35 1.43 -0.94 -0.50 118.68 119.28 1nr4 s LEU 24 Ca 0.11 2.30 -0.02 0.00 -1.03 0.00 0.00 54.13 55.49 1nr4 s LEU 24 Cb 0.17 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 1nr4 s LEU 24 CO 0.64 -0.43 -0.09 1.17 0.23 0.00 0.00 176.35 177.87 1nr4 n LYS 25 N 2.51 0.20 -2.42 1.70 4.81 0.02 -4.76 118.16 120.22 1nr4 n LYS 25 Ca 0.05 0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.50 1nr4 n LYS 25 Cb 0.44 -0.99 -0.01 0.00 0.02 0.00 0.00 35.03 34.49 1nr4 n LYS 25 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1nr4 n THR 26 N -3.08 0.00 -3.63 3.15 5.66 -0.96 -5.01 114.28 110.42 1nr4 n THR 26 Ca -0.16 -0.63 -0.11 0.00 -3.05 0.00 0.00 64.05 60.09 1nr4 n THR 26 Cb 0.64 0.43 -0.05 0.00 -1.55 0.00 0.00 70.33 69.80 1nr4 n THR 26 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nr4 s TRP 27 N -4.74 -0.26 0.11 1.09 1.48 -1.26 -0.93 118.94 114.44 1nr4 s TRP 27 Ca 0.10 0.05 -0.09 0.00 -1.06 0.00 0.00 56.10 55.10 1nr4 s TRP 27 Cb -0.01 0.27 -0.00 0.00 -1.16 0.00 0.00 33.47 32.57 1nr4 s TRP 27 CO 0.07 -0.67 0.23 1.52 -4.06 0.00 0.00 176.95 174.04 1nr4 s TYR 28 N -3.32 0.20 -0.20 1.66 -0.85 -0.55 -4.99 117.35 109.30 1nr4 s TYR 28 Ca -0.00 -0.61 -0.10 0.00 -0.52 0.00 0.00 57.07 55.84 1nr4 s TYR 28 Cb 0.01 -0.04 -0.05 0.00 0.38 0.00 0.00 41.96 42.26 1nr4 s TYR 28 CO -0.09 -0.60 0.14 -1.14 -1.52 0.00 0.00 175.55 172.34 1nr4 s GLN 29 N -3.89 4.18 0.90 -3.49 0.74 -1.26 -0.96 119.66 115.88 1nr4 s GLN 29 Ca 0.08 -0.21 -0.12 0.00 0.05 0.00 0.00 55.36 55.16 1nr4 s GLN 29 Cb 0.04 -3.43 0.13 0.00 1.10 0.00 0.00 33.01 30.85 1nr4 s GLN 29 CO -0.08 0.28 1.10 0.95 -0.55 0.00 0.00 175.29 176.98 1nr4 s THR 30 N 0.42 2.59 0.25 -0.34 -4.23 -0.54 -4.94 115.64 108.86 1nr4 s THR 30 Ca 0.08 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.49 1nr4 s THR 30 Cb -0.11 -2.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.85 1nr4 s THR 30 CO -0.01 -0.25 1.09 -0.24 -0.54 0.00 0.00 174.62 174.66 1nr4 n SER 31 N -3.86 1.45 0.27 3.99 2.88 -1.26 -4.77 113.62 112.32 1nr4 n SER 31 Ca 0.07 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.96 1nr4 n SER 31 Cb 0.56 -1.28 0.94 0.00 -0.75 0.00 0.00 64.21 63.68 1nr4 n SER 31 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1nr4 h GLU 32 N 2.56 0.00 0.00 -1.46 9.09 -1.94 -1.57 114.58 121.26 1nr4 h GLU 32 Ca -0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.00 1nr4 h GLU 32 Cb 1.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1nr4 h GLU 32 CO 0.64 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 179.45 1nr4 n ASP 33 N -2.79 0.63 -4.75 3.06 10.43 -1.26 -4.82 116.55 117.04 1nr4 n ASP 33 Ca -0.02 0.56 -0.36 0.00 2.57 0.00 0.00 54.79 57.54 1nr4 n ASP 33 Cb 0.09 -0.73 0.03 0.00 1.84 0.00 0.00 41.12 42.36 1nr4 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nr4 h SER 35 N 0.88 -0.02 -3.15 0.00 0.87 -1.89 -3.40 113.55 106.84 1nr4 h SER 35 Ca -0.50 0.07 -0.60 0.00 -1.23 0.00 0.00 61.79 59.52 1nr4 h SER 35 Cb 1.29 0.10 -0.09 0.00 -0.44 0.00 0.00 62.40 63.27 1nr4 h SER 35 CO 0.55 0.03 -0.33 -0.13 -0.53 0.00 0.00 176.83 176.42 1nr4 s ARG 36 N -6.16 4.08 0.07 2.24 0.52 -1.26 -5.06 118.95 113.37 1nr4 s ARG 36 Ca -0.13 0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 1nr4 s ARG 36 Cb 0.13 -3.36 -0.07 0.00 0.52 0.00 0.00 34.95 32.18 1nr4 s ARG 36 CO 0.71 0.40 1.45 0.34 0.02 0.00 0.00 175.30 178.22 1nr4 s ASP 37 N -0.02 6.78 -0.04 0.23 2.15 -1.26 -4.76 116.67 119.74 1nr4 s ASP 37 Ca 0.17 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.32 1nr4 s ASP 37 Cb -0.13 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 1nr4 s ASP 37 CO 0.05 -0.73 0.28 0.00 -0.17 0.00 0.00 175.17 174.61 1nr4 s ALA 38 N 1.87 -0.71 -0.15 3.66 0.00 -1.26 -4.40 121.76 120.77 1nr4 s ALA 38 Ca 0.66 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1nr4 s ALA 38 Cb -0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1nr4 s ALA 38 CO 0.29 -0.22 -0.06 0.42 0.00 0.00 0.00 175.76 176.19 1nr4 s ILE 39 N -0.91 3.62 -0.27 0.00 -1.09 -0.36 -1.46 121.20 120.73 1nr4 s ILE 39 Ca -0.10 -0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 57.78 1nr4 s ILE 39 Cb -0.05 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1nr4 s ILE 39 CO 0.03 0.50 0.11 -0.69 -1.23 0.00 0.00 174.94 173.66 1nr4 s VAL 40 N 0.41 4.52 0.05 2.92 1.01 -0.13 -0.21 120.40 128.97 1nr4 s VAL 40 Ca -0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1nr4 s VAL 40 Cb -0.15 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 1nr4 s VAL 40 CO 0.04 0.25 0.61 -0.36 0.00 0.00 0.00 175.10 175.63 1nr4 s PHE 41 N 1.63 3.76 -0.18 5.22 0.40 -0.42 -1.48 117.98 126.92 1nr4 s PHE 41 Ca 0.06 1.29 -0.05 0.00 -0.60 0.00 0.00 56.93 57.62 1nr4 s PHE 41 Cb -0.16 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 1nr4 s PHE 41 CO 0.05 0.47 0.01 0.08 0.70 0.00 0.00 175.22 176.53 1nr4 s VAL 42 N -0.68 4.23 0.72 -0.44 1.01 -0.10 -1.21 120.40 123.93 1nr4 s VAL 42 Ca 0.31 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 1nr4 s VAL 42 Cb -0.19 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.33 1nr4 s VAL 42 CO 0.19 0.46 1.11 0.42 0.00 0.00 0.00 175.10 177.28 1nr4 s THR 43 N 0.54 3.17 0.39 3.92 -4.23 0.22 -0.80 115.64 118.86 1nr4 s THR 43 Ca -0.00 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 60.93 1nr4 s THR 43 Cb -0.14 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.61 1nr4 s THR 43 CO 0.02 -0.49 2.02 0.58 -0.54 0.00 0.00 174.62 176.21 1nr4 h VAL 44 N -0.72 1.07 -0.17 2.29 2.07 -1.09 -1.55 116.25 118.14 1nr4 h VAL 44 Ca -0.45 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1nr4 h VAL 44 Cb 1.27 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1nr4 h VAL 44 CO 0.64 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.35 1nr4 n GLN 45 N -4.47 1.68 -0.62 1.57 6.02 -1.26 -4.92 117.38 115.38 1nr4 n GLN 45 Ca 0.06 -1.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1nr4 n GLN 45 Cb 0.13 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1nr4 n GLN 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nr4 n GLY 46 N 1.09 0.72 3.84 1.08 0.00 -0.58 -5.07 105.19 106.27 1nr4 n GLY 46 Ca 0.15 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1nr4 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nr4 s ARG 47 N -1.30 4.03 -0.04 1.61 0.52 -1.26 -4.84 118.95 117.66 1nr4 s ARG 47 Ca 0.00 0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 1nr4 s ARG 47 Cb 0.00 -2.60 -0.03 0.00 0.52 0.00 0.00 34.95 32.85 1nr4 s ARG 47 CO 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 175.30 175.47 1nr4 s ALA 48 N -1.82 2.81 -0.19 2.13 0.00 -1.26 -0.61 121.76 122.83 1nr4 s ALA 48 Ca 0.50 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1nr4 s ALA 48 Cb -0.12 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 21.99 1nr4 s ALA 48 CO 0.19 0.57 -0.03 0.42 0.00 0.00 0.00 175.76 176.90 1nr4 s ILE 49 N -0.80 1.11 -0.10 0.00 1.01 -0.35 -4.98 121.20 117.09 1nr4 s ILE 49 Ca 0.13 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1nr4 s ILE 49 Cb -0.11 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1nr4 s ILE 49 CO 0.02 -0.01 1.00 0.00 0.00 0.00 0.00 174.94 175.95 1nr4 s SER 51 N 1.09 0.88 -0.29 0.00 0.01 0.71 0.52 113.70 116.62 1nr4 s SER 51 Ca 0.48 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 1nr4 s SER 51 Cb -0.18 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1nr4 s SER 51 CO 0.19 -0.23 0.86 -0.62 0.41 0.00 0.00 173.24 173.86 1nr4 s ASP 52 N -1.70 6.78 0.02 2.44 -1.08 -1.26 -1.22 116.67 120.65 1nr4 s ASP 52 Ca -0.08 0.88 0.07 0.00 -0.52 0.00 0.00 52.55 52.90 1nr4 s ASP 52 Cb -0.09 -2.45 0.31 0.00 -1.46 0.00 0.00 42.92 39.24 1nr4 s ASP 52 CO -0.00 -0.64 1.22 -2.65 0.52 0.00 0.00 175.17 173.63 1nr4 n PRO 53 N 6.27 0.01 0.00 4.34 -0.02 -1.26 -1.98 135.00 142.36 1nr4 n PRO 53 Ca 0.06 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1nr4 n PRO 53 Cb 0.48 -1.52 0.25 0.00 -0.02 0.00 0.00 33.50 32.69 1nr4 n PRO 53 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nr4 n ASN 54 N -1.54 0.62 -4.72 2.55 3.02 -1.26 -4.66 115.26 109.26 1nr4 n ASN 54 Ca 0.01 -0.40 -0.41 0.00 -0.03 0.00 0.00 54.58 53.75 1nr4 n ASN 54 Cb 0.07 0.27 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 1nr4 n ASN 54 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nr4 s ASN 55 N -2.91 7.33 0.20 6.41 3.84 -0.83 -4.96 114.94 124.01 1nr4 s ASN 55 Ca 0.13 1.88 -0.14 0.00 0.21 0.00 0.00 52.86 54.94 1nr4 s ASN 55 Cb 0.18 -2.59 0.20 0.00 -0.55 0.00 0.00 41.25 38.49 1nr4 s ASN 55 CO 0.68 -0.23 1.64 0.07 -2.79 0.00 0.00 177.10 176.46 1nr4 h LYS 56 N 5.97 0.00 -0.25 0.43 -0.00 -1.90 -1.49 116.57 119.34 1nr4 h LYS 56 Ca -0.43 -0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.11 1nr4 h LYS 56 Cb 1.21 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 1nr4 h LYS 56 CO 0.74 0.00 -0.32 0.00 -0.00 0.00 0.00 179.45 179.88 1nr4 h ARG 57 N 0.00 0.52 -0.15 0.07 3.08 -1.96 -0.77 114.38 115.17 1nr4 h ARG 57 Ca 0.28 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1nr4 h ARG 57 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1nr4 h ARG 57 CO -0.59 0.78 0.01 0.28 -1.07 0.00 0.00 179.97 179.38 1nr4 h VAL 58 N 0.45 1.24 -0.73 2.04 2.07 -1.79 -1.62 116.25 117.90 1nr4 h VAL 58 Ca 0.05 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1nr4 h VAL 58 Cb 0.77 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1nr4 h VAL 58 CO 0.06 0.23 0.48 0.11 0.02 0.00 0.00 177.57 178.47 1nr4 h LYS 59 N 0.03 0.91 -0.58 1.57 1.57 -0.99 -1.12 116.57 117.96 1nr4 h LYS 59 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1nr4 h LYS 59 Cb 0.33 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1nr4 h LYS 59 CO 0.01 0.60 0.22 -0.97 -0.57 0.00 0.00 179.45 178.74 1nr4 h ASN 60 N 0.94 0.81 -0.50 0.86 -1.24 -1.02 -1.97 115.58 113.47 1nr4 h ASN 60 Ca 0.28 -0.18 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 1nr4 h ASN 60 Cb -0.03 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 1nr4 h ASN 60 CO -0.07 0.77 -0.03 0.00 -1.29 0.00 0.00 177.43 176.81 1nr4 h ALA 61 N 1.07 0.68 -0.58 1.57 0.00 -0.73 -0.98 119.26 120.29 1nr4 h ALA 61 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1nr4 h ALA 61 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1nr4 h ALA 61 CO -0.01 0.51 0.38 0.28 0.00 0.00 0.00 179.25 180.41 1nr4 h VAL 62 N 0.76 1.13 -0.56 0.00 2.07 -1.15 -2.08 116.25 116.42 1nr4 h VAL 62 Ca 0.14 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1nr4 h VAL 62 Cb 0.56 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1nr4 h VAL 62 CO 0.03 0.14 0.36 0.11 0.02 0.00 0.00 177.57 178.23 1nr4 h LYS 63 N 0.77 0.71 -0.04 1.57 1.57 -1.06 0.16 116.57 120.24 1nr4 h LYS 63 Ca 0.22 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 1nr4 h LYS 63 Cb -0.07 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.03 1nr4 h LYS 63 CO -0.06 0.47 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.00 1nr4 h TYR 64 N 0.73 -1.05 -0.71 -1.35 3.20 -1.02 -0.88 116.97 115.89 1nr4 h TYR 64 Ca 0.21 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1nr4 h TYR 64 Cb -0.04 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1nr4 h TYR 64 CO -0.05 -0.45 0.46 -0.07 -1.64 0.00 0.00 178.16 176.42 1nr4 h LEU 65 N -0.50 0.79 -1.87 2.82 3.38 -0.88 -1.14 115.31 117.90 1nr4 h LEU 65 Ca 0.06 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nr4 h LEU 65 Cb 0.61 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1nr4 h LEU 65 CO -0.32 0.57 -0.13 1.56 0.09 0.00 0.00 178.44 180.20 1nr4 h GLN 66 N 0.94 0.00 0.00 1.13 4.20 -0.76 -2.70 115.11 117.92 1nr4 h GLN 66 Ca 0.27 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1nr4 h GLN 66 Cb -0.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1nr4 h GLN 66 CO -0.07 0.13 -0.13 0.66 -0.67 0.00 0.00 178.83 178.75 1nr4 h SER 67 N 0.00 0.00 0.00 1.46 4.64 0.16 -3.51 113.55 116.30 1nr4 h SER 67 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nr4 h SER 67 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1nr4 h SER 67 CO 0.02 0.13 0.00 0.18 -0.87 0.00 0.00 176.83 176.29