#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nr4 s GLU 9 N 0.00 2.30 -0.04 5.56 -1.05 -1.26 -5.14 118.70 119.08 1nr4 s GLU 9 Ca 0.00 -0.93 0.05 0.00 -0.15 0.00 0.00 54.97 53.94 1nr4 s GLU 9 Cb 0.00 -2.40 -0.01 0.00 -0.44 0.00 0.00 34.13 31.29 1nr4 s GLU 9 CO 0.00 0.53 -0.18 0.00 0.95 0.00 0.00 175.26 176.56 1nr4 h LEU 12 N 9.45 0.58 -7.04 0.00 -0.00 -1.93 -3.45 115.31 112.92 1nr4 h LEU 12 Ca -0.26 -0.28 -0.05 0.00 -0.00 0.00 0.00 57.88 57.29 1nr4 h LEU 12 Cb 1.11 -0.15 -0.17 0.00 -0.00 0.00 0.00 40.66 41.45 1nr4 h LEU 12 CO 0.85 0.71 0.17 -1.83 -0.00 0.00 0.00 178.44 178.33 1nr4 s GLU 13 N -5.12 1.11 0.54 1.13 -1.05 -1.26 -5.15 118.70 108.90 1nr4 s GLU 13 Ca -0.13 -0.03 -0.21 0.00 -0.15 0.00 0.00 54.97 54.44 1nr4 s GLU 13 Cb 0.09 0.52 -0.05 0.00 -0.44 0.00 0.00 34.13 34.25 1nr4 s GLU 13 CO 0.77 -0.40 1.27 0.71 0.95 0.00 0.00 175.26 178.56 1nr4 s TYR 14 N -2.12 2.45 0.67 4.83 4.12 -1.26 -4.85 117.35 121.20 1nr4 s TYR 14 Ca -0.07 1.46 -0.17 0.00 0.02 0.00 0.00 57.07 58.31 1nr4 s TYR 14 Cb -0.00 -3.61 0.01 0.00 -1.52 0.00 0.00 41.96 36.83 1nr4 s TYR 14 CO 0.01 -2.37 1.24 0.12 0.02 0.00 0.00 175.55 174.57 1nr4 s PHE 15 N -1.44 2.13 -0.11 2.71 5.36 -0.08 -4.95 117.98 121.60 1nr4 s PHE 15 Ca 0.71 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 58.25 1nr4 s PHE 15 Cb -0.35 -3.55 0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1nr4 s PHE 15 CO 0.40 -2.64 -0.18 0.15 -1.46 0.00 0.00 175.22 171.50 1nr4 s LYS 16 N -3.61 2.44 0.00 10.12 1.02 -1.26 -4.67 119.74 123.78 1nr4 s LYS 16 Ca 0.78 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.12 1nr4 s LYS 16 Cb -0.32 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1nr4 s LYS 16 CO 0.41 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1nr4 n GLY 17 N 4.00 -0.72 3.89 -3.33 0.00 -1.26 -5.05 105.19 102.72 1nr4 n GLY 17 Ca -0.20 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.24 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 -1.13 3.75 -0.17 4.61 0.00 -1.26 -5.07 121.76 122.49 1nr4 s ALA 18 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1nr4 s ALA 18 Cb 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 23.12 20.96 1nr4 s ALA 18 CO 0.00 0.63 -0.13 -1.50 0.00 0.00 0.00 175.76 174.76 1nr4 s ILE 19 N -1.62 1.65 0.34 0.00 1.10 -1.26 -5.11 121.20 116.31 1nr4 s ILE 19 Ca 0.40 -0.83 -0.29 0.00 -0.51 0.00 0.00 60.65 59.42 1nr4 s ILE 19 Cb -0.12 -1.62 -0.11 0.00 0.15 0.00 0.00 42.46 40.76 1nr4 s ILE 19 CO 0.23 0.33 1.49 -2.84 -2.11 0.00 0.00 174.94 172.04 1nr4 s PRO 20 N 1.43 4.15 0.38 3.50 0.02 -1.26 -4.89 135.00 138.33 1nr4 s PRO 20 Ca 0.02 2.52 0.09 0.00 0.02 0.00 0.00 61.00 63.65 1nr4 s PRO 20 Cb -0.14 -3.00 0.83 0.00 0.02 0.00 0.00 34.50 32.21 1nr4 s PRO 20 CO -0.10 -0.51 1.95 -0.07 -0.33 0.00 0.00 177.00 177.94 1nr4 h LEU 21 N 3.62 0.58 -1.74 -5.54 3.38 -1.99 -0.30 115.31 113.32 1nr4 h LEU 21 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1nr4 h LEU 21 Cb 1.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1nr4 h LEU 21 CO 0.69 0.36 0.00 0.08 0.09 0.00 0.00 178.44 179.65 1nr4 h ARG 22 N 0.65 0.00 -0.00 1.13 0.11 -2.05 -2.13 114.38 112.09 1nr4 h ARG 22 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1nr4 h ARG 22 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1nr4 h ARG 22 CO -0.11 0.00 -0.27 1.63 0.10 0.00 0.00 179.97 181.33 1nr4 n LYS 23 N -2.63 0.39 -3.37 0.08 5.02 -0.12 -4.87 118.16 112.65 1nr4 n LYS 23 Ca -0.01 -0.18 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 1nr4 n LYS 23 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.74 4.38 -0.21 -0.35 1.43 -0.80 -0.40 118.68 119.98 1nr4 s LEU 24 Ca 0.19 0.92 -0.08 0.00 -1.03 0.00 0.00 54.13 54.14 1nr4 s LEU 24 Cb 0.19 -2.68 -0.10 0.00 0.03 0.00 0.00 46.19 43.62 1nr4 s LEU 24 CO 0.57 0.15 -0.26 1.17 0.23 0.00 0.00 176.35 178.21 1nr4 n LYS 25 N 2.79 0.46 -3.47 1.70 4.81 0.10 -4.72 118.16 119.83 1nr4 n LYS 25 Ca -0.10 0.18 -0.08 0.00 -0.87 0.00 0.00 58.31 57.44 1nr4 n LYS 25 Cb 0.52 -1.29 0.02 0.00 0.02 0.00 0.00 35.03 34.30 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 -3.77 0.00 -3.89 3.15 5.66 -0.98 -5.00 114.28 109.46 1nr4 n THR 26 Ca -0.41 -0.90 -0.09 0.00 -3.05 0.00 0.00 64.05 59.60 1nr4 n THR 26 Cb 0.82 0.88 -0.07 0.00 -1.55 0.00 0.00 70.33 70.41 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 -2.94 0.22 0.19 1.09 1.48 -1.26 -1.02 118.94 116.71 1nr4 s TRP 27 Ca 0.14 -0.63 -0.16 0.00 -1.06 0.00 0.00 56.10 54.39 1nr4 s TRP 27 Cb -0.04 -0.06 0.02 0.00 -1.16 0.00 0.00 33.47 32.23 1nr4 s TRP 27 CO 0.11 -0.59 0.49 1.52 -4.06 0.00 0.00 176.95 174.42 1nr4 s TYR 28 N -3.89 -0.04 -0.02 1.66 -0.85 -0.55 -4.98 117.35 108.68 1nr4 s TYR 28 Ca 0.08 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 1nr4 s TYR 28 Cb 0.04 0.33 0.02 0.00 0.38 0.00 0.00 41.96 42.74 1nr4 s TYR 28 CO -0.08 -0.90 0.00 -1.14 -1.52 0.00 0.00 175.55 171.92 1nr4 s GLN 29 N -3.89 0.21 0.17 -3.49 0.74 -1.26 -0.30 119.66 111.84 1nr4 s GLN 29 Ca 0.11 0.08 0.07 0.00 0.05 0.00 0.00 55.36 55.67 1nr4 s GLN 29 Cb -0.00 -0.39 -0.04 0.00 1.10 0.00 0.00 33.01 33.67 1nr4 s GLN 29 CO -0.02 -0.12 0.02 0.99 -0.55 0.00 0.00 175.29 175.60 1nr4 s THR 30 N 0.91 3.82 -0.00 -0.34 2.01 -1.26 -5.04 115.64 115.74 1nr4 s THR 30 Ca -0.09 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.54 1nr4 s THR 30 Cb -0.12 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1nr4 s THR 30 CO -0.02 -0.11 0.67 -1.54 -0.69 0.00 0.00 174.62 172.93 1nr4 n SER 31 N -0.14 0.58 -4.71 3.53 3.41 -1.26 -3.98 113.62 111.05 1nr4 n SER 31 Ca -0.09 -1.35 -0.29 0.00 -0.26 0.00 0.00 58.87 56.88 1nr4 n SER 31 Cb 0.55 -0.02 0.16 0.00 -0.26 0.00 0.00 64.21 64.64 1nr4 n SER 31 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nr4 s GLU 32 N -0.32 0.74 0.31 4.33 8.01 -1.26 -4.77 118.70 125.74 1nr4 s GLU 32 Ca 0.01 0.51 -0.28 0.00 0.01 0.00 0.00 54.97 55.21 1nr4 s GLU 32 Cb 0.01 -1.77 -0.13 0.00 -4.31 0.00 0.00 34.13 27.92 1nr4 s GLU 32 CO 0.00 -2.52 1.22 -3.47 0.01 0.00 0.00 175.26 170.51 1nr4 n ASP 33 N -4.02 2.34 0.00 -0.19 -0.08 -1.26 -2.00 116.55 111.34 1nr4 n ASP 33 Ca 0.06 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.53 1nr4 n ASP 33 Cb 0.57 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.61 1nr4 n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nr4 h SER 35 N 0.00 0.00 -0.50 0.00 4.64 -1.55 -1.69 113.55 114.45 1nr4 h SER 35 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1nr4 h SER 35 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 1nr4 h SER 35 CO 0.00 0.75 -0.20 0.54 -0.87 0.00 0.00 176.83 177.05 1nr4 n ARG 36 N -3.49 -1.10 -2.96 4.77 1.74 -1.26 -2.02 116.66 112.34 1nr4 n ARG 36 Ca -0.00 0.83 -0.18 0.00 -0.77 0.00 0.00 57.85 57.72 1nr4 n ARG 36 Cb 0.76 -4.92 -0.00 0.00 -1.02 0.00 0.00 32.46 27.29 1nr4 n ARG 36 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nr4 n ASP 37 N -0.42 -3.98 -4.78 0.55 8.00 -1.26 -4.81 116.55 109.85 1nr4 n ASP 37 Ca -0.11 -0.14 -0.35 0.00 0.71 0.00 0.00 54.79 54.90 1nr4 n ASP 37 Cb 0.44 -3.32 -0.01 0.00 -0.02 0.00 0.00 41.12 38.20 1nr4 n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nr4 s ALA 38 N -2.82 2.83 -0.17 2.24 0.00 -0.86 -4.51 121.76 118.47 1nr4 s ALA 38 Ca 0.23 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 1nr4 s ALA 38 Cb -0.12 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1nr4 s ALA 38 CO 0.28 -0.58 0.97 0.42 0.00 0.00 0.00 175.76 176.85 1nr4 s ILE 39 N -1.78 4.77 -0.30 0.00 -1.09 -0.61 -3.98 121.20 118.22 1nr4 s ILE 39 Ca 0.68 1.92 -0.09 0.00 -2.23 0.00 0.00 60.65 60.94 1nr4 s ILE 39 Cb -0.23 -4.26 -0.01 0.00 -1.58 0.00 0.00 42.46 36.38 1nr4 s ILE 39 CO 0.26 -0.05 0.14 -0.69 -1.23 0.00 0.00 174.94 173.37 1nr4 s VAL 40 N 2.47 4.55 -0.12 2.92 1.01 0.59 -0.34 120.40 131.47 1nr4 s VAL 40 Ca 0.44 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1nr4 s VAL 40 Cb -0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1nr4 s VAL 40 CO 0.12 0.11 0.41 -0.36 0.00 0.00 0.00 175.10 175.38 1nr4 s PHE 41 N 1.61 3.51 -0.27 5.22 0.40 -0.36 -1.48 117.98 126.62 1nr4 s PHE 41 Ca 0.05 0.80 -0.11 0.00 -0.60 0.00 0.00 56.93 57.07 1nr4 s PHE 41 Cb -0.17 -2.47 -0.05 0.00 0.51 0.00 0.00 43.02 40.85 1nr4 s PHE 41 CO 0.06 0.22 0.18 0.08 0.70 0.00 0.00 175.22 176.46 1nr4 s VAL 42 N 0.45 5.32 0.61 -0.44 1.01 -0.19 -0.84 120.40 126.31 1nr4 s VAL 42 Ca 0.23 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 1nr4 s VAL 42 Cb -0.15 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1nr4 s VAL 42 CO 0.08 0.28 0.91 0.42 0.00 0.00 0.00 175.10 176.80 1nr4 s THR 43 N 1.54 3.37 0.47 3.92 -4.23 0.16 -0.72 115.64 120.16 1nr4 s THR 43 Ca 0.07 -0.08 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 1nr4 s THR 43 Cb -0.15 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.57 1nr4 s THR 43 CO 0.09 -0.36 2.06 0.58 -0.54 0.00 0.00 174.62 176.44 1nr4 h VAL 44 N -0.23 0.95 0.00 2.29 2.07 -1.01 -0.99 116.25 119.32 1nr4 h VAL 44 Ca -0.45 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1nr4 h VAL 44 Cb 1.27 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1nr4 h VAL 44 CO 0.60 0.12 0.00 0.00 0.02 0.00 0.00 177.57 178.32 1nr4 n GLN 45 N -4.18 0.85 -1.62 1.57 3.00 -1.26 -4.92 117.38 110.81 1nr4 n GLN 45 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.95 1nr4 n GLN 45 Cb 0.20 -1.47 -0.00 0.00 0.00 0.00 0.00 30.24 28.97 1nr4 n GLN 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1nr4 n GLY 46 N 0.68 0.38 3.77 1.08 0.00 -0.38 -5.07 105.19 105.66 1nr4 n GLY 46 Ca 0.19 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.27 2.39 -0.07 1.61 0.52 -1.26 -4.90 118.95 113.97 1nr4 s ARG 47 Ca 0.00 -1.59 0.04 0.00 -0.52 0.00 0.00 55.73 53.66 1nr4 s ARG 47 Cb 0.00 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.26 1nr4 s ARG 47 CO 0.00 0.01 -0.20 0.00 0.02 0.00 0.00 175.30 175.13 1nr4 s ALA 48 N -2.46 2.38 -0.27 2.13 0.00 -1.26 -0.66 121.76 121.62 1nr4 s ALA 48 Ca 0.40 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1nr4 s ALA 48 Cb -0.01 -0.85 0.07 0.00 0.00 0.00 0.00 23.12 22.32 1nr4 s ALA 48 CO 0.24 0.43 -0.08 0.42 0.00 0.00 0.00 175.76 176.77 1nr4 s ILE 49 N -0.23 2.13 0.10 0.00 1.01 -0.02 -4.96 121.20 119.23 1nr4 s ILE 49 Ca -0.01 -1.73 -0.25 0.00 0.00 0.00 0.00 60.65 58.66 1nr4 s ILE 49 Cb -0.13 -2.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.96 1nr4 s ILE 49 CO 0.03 -0.14 0.79 0.00 0.00 0.00 0.00 174.94 175.62 1nr4 s SER 51 N -0.54 0.50 -0.23 0.00 0.01 0.54 -0.91 113.70 113.08 1nr4 s SER 51 Ca 0.38 -0.89 -0.29 0.00 1.31 0.00 0.00 55.95 56.46 1nr4 s SER 51 Cb -0.22 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.15 1nr4 s SER 51 CO 0.25 -0.52 1.71 -0.62 0.41 0.00 0.00 173.24 174.46 1nr4 s ASP 52 N -2.61 6.24 0.37 2.44 -1.08 -1.26 -1.57 116.67 119.20 1nr4 s ASP 52 Ca 0.02 1.64 0.27 0.00 -0.52 0.00 0.00 52.55 53.97 1nr4 s ASP 52 Cb 0.04 -2.53 1.22 0.00 -1.46 0.00 0.00 42.92 40.19 1nr4 s ASP 52 CO -0.08 -1.37 1.82 1.55 0.52 0.00 0.00 175.17 177.61 1nr4 h PRO 53 N 11.37 0.00 -0.01 4.34 0.13 -1.87 -2.26 132.00 143.70 1nr4 h PRO 53 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1nr4 h PRO 53 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nr4 h PRO 53 CO 1.00 0.00 -0.26 0.09 -0.23 0.00 0.00 178.00 178.60 1nr4 n ASN 54 N -2.51 1.13 -4.76 1.44 3.02 -1.26 -4.73 115.26 107.59 1nr4 n ASN 54 Ca 0.01 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.19 1nr4 n ASN 54 Cb 0.21 0.15 -0.05 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 -2.47 7.30 0.17 6.41 3.84 -0.85 -4.98 114.94 124.36 1nr4 s ASN 55 Ca 0.25 1.54 -0.11 0.00 0.21 0.00 0.00 52.86 54.75 1nr4 s ASN 55 Cb 0.19 -2.49 0.08 0.00 -0.55 0.00 0.00 41.25 38.48 1nr4 s ASN 55 CO 0.51 0.08 1.71 0.11 -2.79 0.00 0.00 177.10 176.72 1nr4 h LYS 56 N 5.15 0.95 -0.68 0.43 1.57 -1.91 -0.28 116.57 121.80 1nr4 h LYS 56 Ca -0.45 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 1nr4 h LYS 56 Cb 1.21 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1nr4 h LYS 56 CO 0.69 0.84 0.35 0.00 -0.57 0.00 0.00 179.45 180.76 1nr4 h ARG 57 N 0.87 0.96 -0.27 3.15 3.08 -1.95 -0.24 114.38 119.98 1nr4 h ARG 57 Ca 0.20 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1nr4 h ARG 57 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1nr4 h ARG 57 CO -0.01 0.72 0.06 0.28 -1.07 0.00 0.00 179.97 179.96 1nr4 h VAL 58 N 0.96 1.21 -0.86 2.04 2.07 -1.74 -1.78 116.25 118.15 1nr4 h VAL 58 Ca 0.24 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1nr4 h VAL 58 Cb 0.07 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1nr4 h VAL 58 CO -0.03 0.23 0.56 0.11 0.02 0.00 0.00 177.57 178.46 1nr4 h LYS 59 N 0.26 1.09 -0.37 1.57 1.57 -0.53 -2.09 116.57 118.06 1nr4 h LYS 59 Ca 0.08 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1nr4 h LYS 59 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1nr4 h LYS 59 CO 0.00 0.72 0.07 -0.91 -0.57 0.00 0.00 179.45 178.76 1nr4 h ASN 60 N 1.12 0.52 -0.37 0.86 2.35 -0.87 -1.15 115.58 118.03 1nr4 h ASN 60 Ca 0.33 -0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.87 1nr4 h ASN 60 Cb -0.07 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1nr4 h ASN 60 CO -0.09 0.54 -0.26 0.00 -1.65 0.00 0.00 177.43 175.97 1nr4 h ALA 61 N 1.53 0.54 -0.59 -0.83 0.00 -0.80 -0.99 119.26 118.12 1nr4 h ALA 61 Ca 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1nr4 h ALA 61 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1nr4 h ALA 61 CO 0.00 0.54 0.30 0.28 0.00 0.00 0.00 179.25 180.37 1nr4 h VAL 62 N 0.63 1.20 -0.81 0.00 2.07 -1.26 -1.59 116.25 116.50 1nr4 h VAL 62 Ca 0.07 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1nr4 h VAL 62 Cb 0.83 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1nr4 h VAL 62 CO 0.07 0.23 0.54 0.11 0.02 0.00 0.00 177.57 178.53 1nr4 h LYS 63 N 0.80 1.06 -0.37 1.57 1.57 -1.05 0.01 116.57 120.17 1nr4 h LYS 63 Ca 0.21 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1nr4 h LYS 63 Cb 0.09 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 32.09 1nr4 h LYS 63 CO -0.03 0.70 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.58 1nr4 h TYR 64 N 1.10 -0.12 -0.61 -1.35 3.20 -0.95 -1.13 116.97 117.11 1nr4 h TYR 64 Ca 0.30 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 1nr4 h TYR 64 Cb -0.12 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1nr4 h TYR 64 CO -0.02 -0.12 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.31 1nr4 h LEU 65 N 0.04 1.05 -0.84 2.82 3.38 -0.68 -1.44 115.31 119.65 1nr4 h LEU 65 Ca 0.18 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1nr4 h LEU 65 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nr4 h LEU 65 CO -0.34 1.10 0.26 1.56 0.09 0.00 0.00 178.44 181.11 1nr4 h GLN 66 N 0.97 1.12 0.00 1.13 4.20 -0.85 -2.57 115.11 119.11 1nr4 h GLN 66 Ca 0.17 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1nr4 h GLN 66 Cb 0.56 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1nr4 h GLN 66 CO 0.03 0.93 -0.52 0.77 -0.67 0.00 0.00 178.83 179.37 1nr4 h SER 67 N 1.08 0.00 -0.27 1.46 0.02 -0.77 -3.04 113.55 112.03 1nr4 h SER 67 Ca 0.24 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.02 1nr4 h SER 67 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1nr4 h SER 67 CO -0.01 0.52 -0.50 0.25 -1.14 0.00 0.00 176.83 175.95 1nr4 h LEU 68 N 0.00 0.93 -0.80 5.07 5.85 -1.09 -3.14 115.31 122.12 1nr4 h LEU 68 Ca -0.01 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1nr4 h LEU 68 Cb 1.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1nr4 h LEU 68 CO 0.07 1.26 0.53 -0.33 -0.34 0.00 0.00 178.44 179.63 1nr4 h GLU 69 N 0.66 1.05 -2.91 1.25 5.08 -1.35 -3.37 114.58 115.01 1nr4 h GLU 69 Ca 0.03 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.65 1nr4 h GLU 69 Cb 1.09 -0.24 -0.37 0.00 0.50 0.00 0.00 28.75 29.73 1nr4 h GLU 69 CO 0.11 0.70 -0.16 2.89 -1.00 0.00 0.00 179.01 181.54 1nr4 n ARG 70 N -4.53 2.78 0.00 2.33 1.85 -1.19 -5.14 116.66 112.77 1nr4 n ARG 70 Ca 0.08 -4.55 0.00 0.00 -1.00 0.00 0.00 57.85 52.38 1nr4 n ARG 70 Cb 0.02 -2.37 0.00 0.00 -1.05 0.00 0.00 32.46 29.06 1nr4 n ARG 70 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49