#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlq s GLU 4 N 0.00 1.10 -0.01 0.00 2.02 -1.26 -0.56 118.70 119.98 1nlq s GLU 4 Ca 0.00 -1.35 -0.03 0.00 0.02 0.00 0.00 54.97 53.61 1nlq s GLU 4 Cb 0.00 -0.91 -0.00 0.00 0.10 0.00 0.00 34.13 33.32 1nlq s GLU 4 CO 0.00 0.16 0.07 0.45 0.02 0.00 0.00 175.26 175.96 1nlq s SER 5 N -2.75 0.03 0.32 -0.19 0.15 -0.53 -4.97 113.70 105.75 1nlq s SER 5 Ca 0.13 -0.10 -0.29 0.00 0.70 0.00 0.00 55.95 56.39 1nlq s SER 5 Cb -0.03 0.16 -0.10 0.00 -1.71 0.00 0.00 66.02 64.34 1nlq s SER 5 CO 0.03 -0.19 1.32 0.12 1.20 0.00 0.00 173.24 175.73 1nlq s PHE 6 N -0.71 3.05 -0.15 3.44 5.36 -1.26 0.09 117.98 127.79 1nlq s PHE 6 Ca -0.08 1.36 -0.00 0.00 -0.96 0.00 0.00 56.93 57.25 1nlq s PHE 6 Cb -0.05 -3.69 -0.01 0.00 -0.34 0.00 0.00 43.02 38.93 1nlq s PHE 6 CO 0.00 -1.95 -0.13 -0.47 -1.46 0.00 0.00 175.22 171.21 1nlq s TYR 7 N -0.96 2.81 -0.26 10.12 5.04 -0.54 -4.76 117.35 128.80 1nlq s TYR 7 Ca 0.50 -0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 54.23 1nlq s TYR 7 Cb -0.40 -1.90 0.15 0.00 0.35 0.00 0.00 41.96 40.16 1nlq s TYR 7 CO 0.51 -0.38 0.46 0.20 -1.34 0.00 0.00 175.55 175.00 1nlq s GLY 8 N 0.71 -0.60 0.14 8.97 0.00 -1.25 -1.12 107.32 114.16 1nlq s GLY 8 Ca -0.06 1.31 0.06 0.00 0.00 0.00 0.00 44.72 46.02 1nlq s GLY 8 CO 0.02 2.88 -0.13 -1.34 0.00 0.00 0.00 173.10 174.53 1nlq s VAL 9 N 2.66 1.34 -0.01 1.40 -7.23 -0.68 -4.97 120.40 112.91 1nlq s VAL 9 Ca 0.14 -1.86 0.08 0.00 -1.81 0.00 0.00 61.98 58.53 1nlq s VAL 9 Cb -0.15 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1nlq s VAL 9 CO -0.17 -0.52 -0.25 -0.89 -0.31 0.00 0.00 175.10 172.96 1nlq s THR 10 N -2.52 2.15 -0.02 5.32 2.01 -1.26 -0.68 115.64 120.64 1nlq s THR 10 Ca 0.12 -1.13 0.08 0.00 0.31 0.00 0.00 61.69 61.07 1nlq s THR 10 Cb -0.03 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 1nlq s THR 10 CO 0.03 0.54 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.49 1nlq s LEU 11 N -0.74 2.05 0.25 4.42 1.43 0.17 -4.92 118.68 121.33 1nlq s LEU 11 Ca 0.10 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1nlq s LEU 11 Cb -0.10 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1nlq s LEU 11 CO -0.00 0.30 0.27 0.42 0.23 0.00 0.00 176.35 177.57 1nlq s THR 12 N -0.56 0.00 0.22 5.49 -4.23 -0.47 -1.09 115.64 115.00 1nlq s THR 12 Ca 0.09 -1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 58.69 1nlq s THR 12 Cb -0.10 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.47 1nlq s THR 12 CO -0.01 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 175.92 1nlq h ALA 13 N 2.41 1.07 -0.06 3.99 0.00 -1.70 -0.14 119.26 124.82 1nlq h ALA 13 Ca -0.31 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1nlq h ALA 13 Cb 1.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nlq h ALA 13 CO 0.45 0.55 -0.67 0.93 0.00 0.00 0.00 179.25 180.51 1nlq h GLU 14 N 1.15 0.27 -2.47 0.00 3.07 -1.97 -3.34 114.58 111.29 1nlq h GLU 14 Ca 0.30 -0.21 -0.60 0.00 -0.50 0.00 0.00 59.36 58.35 1nlq h GLU 14 Cb -0.01 0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 27.54 1nlq h GLU 14 CO -0.05 0.84 -0.79 0.45 -1.40 0.00 0.00 179.01 178.06 1nlq n SER 15 N -3.83 1.70 -0.19 1.42 2.88 -1.03 -4.97 113.62 109.60 1nlq n SER 15 Ca -0.03 -2.94 0.11 0.00 -1.33 0.00 0.00 58.87 54.68 1nlq n SER 15 Cb 0.67 -0.66 0.56 0.00 -0.75 0.00 0.00 64.21 64.03 1nlq n SER 15 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nlq n ASP 16 N 1.83 0.56 -3.96 -3.46 5.68 -0.09 -1.36 116.55 115.75 1nlq n ASP 16 Ca 0.25 -1.44 -0.11 0.00 -0.50 0.00 0.00 54.79 52.99 1nlq n ASP 16 Cb 0.43 -0.03 -0.12 0.00 -1.14 0.00 0.00 41.12 40.26 1nlq n ASP 16 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1nlq s SER 17 N -1.68 0.29 -0.07 -1.12 0.15 -1.26 -0.41 113.70 109.61 1nlq s SER 17 Ca 0.33 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 1nlq s SER 17 Cb 0.16 0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1nlq s SER 17 CO 0.26 -0.16 0.16 -0.69 1.20 0.00 0.00 173.24 174.01 1nlq s VAL 18 N -0.89 -0.03 -0.05 4.45 1.01 -0.66 -5.00 120.40 119.23 1nlq s VAL 18 Ca -0.09 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1nlq s VAL 18 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1nlq s VAL 18 CO -0.00 0.04 -0.21 -0.89 0.00 0.00 0.00 175.10 174.04 1nlq s THR 19 N 0.78 2.46 -0.21 3.92 2.01 -1.26 -0.42 115.64 122.92 1nlq s THR 19 Ca -0.06 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 60.96 1nlq s THR 19 Cb -0.08 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1nlq s THR 19 CO -0.04 0.57 -0.01 0.86 -0.69 0.00 0.00 174.62 175.31 1nlq s TRP 20 N -0.40 3.00 -0.42 4.92 -0.00 0.18 -4.97 118.94 121.25 1nlq s TRP 20 Ca 0.04 -0.67 0.09 0.00 -0.00 0.00 0.00 56.10 55.55 1nlq s TRP 20 Cb -0.12 -2.11 0.37 0.00 -0.00 0.00 0.00 33.47 31.61 1nlq s TRP 20 CO 0.02 -0.39 1.22 -3.47 -0.00 0.00 0.00 176.95 174.32 1nlq n ASP 21 N 4.56 -1.76 -4.52 5.86 4.64 -1.26 -0.89 116.55 123.18 1nlq n ASP 21 Ca -0.17 -2.97 -0.38 0.00 -1.38 0.00 0.00 54.79 49.88 1nlq n ASP 21 Cb 0.51 1.21 -0.11 0.00 -1.04 0.00 0.00 41.12 41.69 1nlq n ASP 21 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1nlq n VAL 22 N -0.17 -0.03 -3.11 5.18 0.31 -1.26 -1.94 118.33 117.32 1nlq n VAL 22 Ca 0.02 -0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 63.94 1nlq n VAL 22 Cb 0.78 -1.23 0.07 0.00 -0.91 0.00 0.00 33.84 32.55 1nlq n VAL 22 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1nlq n ASP 23 N 12.18 -4.80 0.00 4.52 10.43 -1.26 -4.89 116.55 132.73 1nlq n ASP 23 Ca 0.57 -0.60 0.00 0.00 2.57 0.00 0.00 54.79 57.33 1nlq n ASP 23 Cb 0.20 -4.63 0.00 0.00 1.84 0.00 0.00 41.12 38.54 1nlq n ASP 23 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1nlq n GLU 24 N -3.25 0.00 -3.18 -1.24 -0.00 -0.82 -3.63 120.64 108.52 1nlq n GLU 24 Ca -0.12 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.59 1nlq n GLU 24 Cb 0.62 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 32.01 1nlq n GLU 24 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1nlq s ASP 25 N 0.00 6.19 -0.30 -1.84 2.15 -1.26 -4.86 116.67 116.75 1nlq s ASP 25 Ca 0.00 -1.49 -0.18 0.00 0.43 0.00 0.00 52.55 51.31 1nlq s ASP 25 Cb 0.00 -2.27 0.19 0.00 -0.30 0.00 0.00 42.92 40.54 1nlq s ASP 25 CO 0.00 -1.01 1.22 -0.31 -0.17 0.00 0.00 175.17 174.90 1nlq s TYR 26 N 2.34 -0.22 -0.58 -5.34 4.12 -1.24 -5.13 117.35 111.31 1nlq s TYR 26 Ca 0.09 0.38 -0.14 0.00 0.02 0.00 0.00 57.07 57.42 1nlq s TYR 26 Cb -0.25 0.13 0.14 0.00 -1.52 0.00 0.00 41.96 40.46 1nlq s TYR 26 CO 0.06 -0.11 0.51 0.00 0.02 0.00 0.00 175.55 176.03 1nlq s ALA 27 N 2.18 3.67 -0.15 3.71 0.00 -1.26 -4.86 121.76 125.04 1nlq s ALA 27 Ca -0.00 -2.69 0.17 0.00 0.00 0.00 0.00 51.96 49.43 1nlq s ALA 27 Cb -0.02 -3.20 0.34 0.00 0.00 0.00 0.00 23.12 20.23 1nlq s ALA 27 CO -0.16 -2.04 1.19 2.89 0.00 0.00 0.00 175.76 177.64 1nlq n ARG 28 N 4.91 1.48 -0.58 0.00 1.85 -1.26 -4.95 116.66 118.11 1nlq n ARG 28 Ca -0.07 -2.76 0.00 0.00 -1.00 0.00 0.00 57.85 54.01 1nlq n ARG 28 Cb 0.41 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 1nlq n ARG 28 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nlq n GLY 29 N -1.30 0.70 3.77 2.89 0.00 -1.26 -2.16 105.19 107.82 1nlq n GLY 29 Ca 0.17 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1nlq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nlq s GLN 30 N -0.57 4.12 -0.02 1.61 0.00 -1.25 -3.99 119.66 119.56 1nlq s GLN 30 Ca 0.00 2.56 -0.01 0.00 -0.00 0.00 0.00 55.36 57.91 1nlq s GLN 30 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 33.01 30.02 1nlq s GLN 30 CO 0.00 -0.56 0.05 0.21 0.00 0.00 0.00 175.29 174.99 1nlq s LYS 31 N -1.52 0.05 -0.22 9.60 2.20 -0.50 -0.44 119.74 128.90 1nlq s LYS 31 Ca 0.56 0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 56.20 1nlq s LYS 31 Cb -0.47 0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 35.84 1nlq s LYS 31 CO 0.57 -0.02 0.00 -1.17 -0.36 0.00 0.00 175.35 174.38 1nlq s LEU 32 N 0.10 3.16 -0.21 5.43 2.96 -0.09 -0.53 118.68 129.49 1nlq s LEU 32 Ca -0.01 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1nlq s LEU 32 Cb -0.01 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1nlq s LEU 32 CO -0.00 0.01 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.34 1nlq s VAL 33 N 1.35 3.85 -0.38 1.68 1.01 -0.24 -1.06 120.40 126.61 1nlq s VAL 33 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 1nlq s VAL 33 Cb -0.15 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1nlq s VAL 33 CO 0.00 0.41 0.28 -0.63 0.00 0.00 0.00 175.10 175.16 1nlq s ILE 34 N 1.24 5.27 -0.13 2.22 -1.09 0.21 -0.67 121.20 128.24 1nlq s ILE 34 Ca 0.03 -0.43 -0.05 0.00 -2.23 0.00 0.00 60.65 57.98 1nlq s ILE 34 Cb -0.15 -3.83 -0.25 0.00 -1.58 0.00 0.00 42.46 36.65 1nlq s ILE 34 CO 0.01 -0.17 0.32 0.29 -1.23 0.00 0.00 174.94 174.16 1nlq n LYS 35 N 5.15 0.74 -3.78 2.79 4.76 0.30 -0.48 118.16 127.65 1nlq n LYS 35 Ca -0.12 0.25 -0.13 0.00 -2.87 0.00 0.00 58.31 55.45 1nlq n LYS 35 Cb 0.48 -1.69 -0.11 0.00 -1.84 0.00 0.00 35.03 31.88 1nlq n LYS 35 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1nlq s GLN 36 N -2.56 0.42 -0.17 1.97 0.74 -0.90 -3.67 119.66 115.49 1nlq s GLN 36 Ca -0.23 0.24 -0.00 0.00 0.05 0.00 0.00 55.36 55.41 1nlq s GLN 36 Cb 0.07 0.19 0.04 0.00 1.10 0.00 0.00 33.01 34.41 1nlq s GLN 36 CO 0.75 -0.07 -0.06 0.42 -0.55 0.00 0.00 175.29 175.78 1nlq s ILE 37 N -0.24 1.21 -0.05 -2.34 1.01 -0.52 -0.13 121.20 120.15 1nlq s ILE 37 Ca -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1nlq s ILE 37 Cb -0.03 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 1nlq s ILE 37 CO 0.01 0.15 -0.22 -0.22 0.00 0.00 0.00 174.94 174.66 1nlq s LEU 38 N 1.59 2.27 -0.09 2.97 2.96 0.08 -1.63 118.68 126.83 1nlq s LEU 38 Ca 0.01 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 1nlq s LEU 38 Cb -0.15 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1nlq s LEU 38 CO -0.08 0.29 0.66 -0.22 -1.32 0.00 0.00 176.35 175.68 1nlq s LEU 39 N -0.40 4.29 0.64 -0.68 2.96 -0.36 -0.21 118.68 124.93 1nlq s LEU 39 Ca 0.04 1.10 -0.17 0.00 -0.22 0.00 0.00 54.13 54.87 1nlq s LEU 39 Cb -0.12 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.55 1nlq s LEU 39 CO 0.02 -0.12 1.22 -0.83 -1.32 0.00 0.00 176.35 175.31 1nlq s GLY 40 N 0.81 2.62 0.54 7.98 0.00 0.46 -4.91 107.32 114.81 1nlq s GLY 40 Ca 0.35 0.98 0.21 0.00 0.00 0.00 0.00 44.72 46.26 1nlq s GLY 40 CO 0.16 1.38 2.12 0.00 0.00 0.00 0.00 173.10 176.76 1nlq h ALA 41 N 0.45 2.04 0.00 3.20 0.00 -1.96 -1.70 119.26 121.30 1nlq h ALA 41 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nlq h ALA 41 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nlq h ALA 41 CO 0.53 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 180.00 1nlq n GLU 42 N -4.36 0.26 -1.70 0.00 -0.58 -1.26 -4.88 120.64 108.12 1nlq n GLU 42 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.31 1nlq n GLU 42 Cb 0.23 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 1nlq n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nlq n ALA 43 N -1.37 2.16 -1.68 0.62 0.00 -0.64 -4.87 120.51 114.73 1nlq n ALA 43 Ca 0.11 0.42 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 1nlq n ALA 43 Cb 0.28 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 1nlq n ALA 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nlq n LYS 44 N 3.54 2.14 -1.86 0.00 4.01 -1.26 -4.83 118.16 119.90 1nlq n LYS 44 Ca 0.16 0.76 -0.41 0.00 -0.51 0.00 0.00 58.31 58.31 1nlq n LYS 44 Cb 0.32 -2.44 -0.01 0.00 -0.51 0.00 0.00 35.03 32.39 1nlq n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1nlq s GLU 45 N -0.32 4.17 0.00 1.97 2.56 -1.26 -2.60 118.70 123.22 1nlq s GLU 45 Ca 0.68 2.49 0.00 0.00 0.00 0.00 0.00 54.97 58.14 1nlq s GLU 45 Cb -0.63 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 32.48 1nlq s GLU 45 CO 0.49 -0.51 0.00 0.09 -0.56 0.00 0.00 175.26 174.77 1nlq n ASN 46 N 1.41 -3.44 -4.63 -1.70 3.02 -0.77 -4.95 115.26 104.21 1nlq n ASN 46 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 1nlq n ASN 46 Cb 0.39 -1.70 -0.09 0.00 -0.61 0.00 0.00 39.78 37.77 1nlq n ASN 46 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1nlq s GLU 47 N -0.81 4.06 0.19 3.52 2.12 -1.07 -4.95 118.70 121.76 1nlq s GLU 47 Ca 0.00 0.04 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 1nlq s GLU 47 Cb 0.00 -3.62 -0.09 0.00 0.26 0.00 0.00 34.13 30.69 1nlq s GLU 47 CO 0.00 -0.18 1.34 -0.06 -0.54 0.00 0.00 175.26 175.82 1nlq s PHE 48 N 1.78 3.22 -0.16 5.30 0.40 -1.26 -4.35 117.98 122.90 1nlq s PHE 48 Ca 0.15 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 57.63 1nlq s PHE 48 Cb -0.15 -3.65 0.02 0.00 0.51 0.00 0.00 43.02 39.75 1nlq s PHE 48 CO 0.09 -2.09 -0.16 -0.80 0.70 0.00 0.00 175.22 172.96 1nlq s ASN 49 N 0.46 2.91 -0.11 1.36 0.01 0.54 -2.97 114.94 117.15 1nlq s ASN 49 Ca 0.58 -0.58 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 1nlq s ASN 49 Cb -0.37 -1.31 0.01 0.00 0.41 0.00 0.00 41.25 39.99 1nlq s ASN 49 CO 0.38 -0.04 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.03 1nlq s VAL 50 N 1.40 1.84 -0.17 1.60 1.01 -0.03 -0.48 120.40 125.57 1nlq s VAL 50 Ca 0.05 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1nlq s VAL 50 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1nlq s VAL 50 CO -0.11 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.81 1nlq s VAL 51 N 0.61 4.20 -0.08 2.92 1.01 -0.63 -1.31 120.40 127.13 1nlq s VAL 51 Ca -0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1nlq s VAL 51 Cb -0.17 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1nlq s VAL 51 CO 0.04 0.47 -0.10 -0.70 0.00 0.00 0.00 175.10 174.81 1nlq s GLU 52 N 0.49 2.86 -0.07 2.72 2.12 0.57 -0.33 118.70 127.07 1nlq s GLU 52 Ca -0.01 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 1nlq s GLU 52 Cb -0.14 -2.56 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1nlq s GLU 52 CO 0.02 0.54 0.07 0.54 -0.54 0.00 0.00 175.26 175.89 1nlq s VAL 53 N -0.50 4.80 -0.06 3.70 0.11 -0.30 -0.64 120.40 127.51 1nlq s VAL 53 Ca 0.07 -0.17 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1nlq s VAL 53 Cb -0.12 -3.10 0.02 0.00 -1.53 0.00 0.00 36.38 31.64 1nlq s VAL 53 CO 0.02 0.52 -0.11 0.20 -3.33 0.00 0.00 175.10 172.40 1nlq s ASN 54 N -1.23 1.63 -0.16 3.54 -0.87 0.66 -2.20 114.94 116.32 1nlq s ASN 54 Ca 0.17 -0.27 -0.04 0.00 -1.57 0.00 0.00 52.86 51.15 1nlq s ASN 54 Cb -0.12 -0.76 0.07 0.00 -0.02 0.00 0.00 41.25 40.42 1nlq s ASN 54 CO 0.07 0.01 0.13 -0.89 -2.57 0.00 0.00 177.10 173.86 1nlq s THR 55 N 0.75 -0.18 0.17 1.60 2.01 -0.05 -0.97 115.64 118.97 1nlq s THR 55 Ca -0.13 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.70 1nlq s THR 55 Cb -0.15 -0.53 0.06 0.00 0.01 0.00 0.00 72.50 71.89 1nlq s THR 55 CO 0.03 -0.16 1.80 -0.65 -0.69 0.00 0.00 174.62 174.94 1nlq h PRO 56 N 8.38 0.73 -1.84 4.92 0.11 -1.81 -1.29 132.00 141.21 1nlq h PRO 56 Ca -0.15 -0.07 0.54 0.00 0.11 0.00 0.00 66.00 66.43 1nlq h PRO 56 Cb 1.14 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 32.02 1nlq h PRO 56 CO 0.26 0.53 1.31 1.17 -0.21 0.00 0.00 178.00 181.06 1nlq n LYS 57 N -4.66 -0.00 -0.93 1.05 4.81 -1.26 -0.55 118.16 116.61 1nlq n LYS 57 Ca 0.03 1.07 0.05 0.00 -0.87 0.00 0.00 58.31 58.58 1nlq n LYS 57 Cb 0.06 -2.41 0.11 0.00 0.02 0.00 0.00 35.03 32.81 1nlq n LYS 57 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nlq n ASP 58 N -3.95 1.33 -4.06 3.14 8.00 -1.08 -4.97 116.55 114.96 1nlq n ASP 58 Ca 0.43 -2.90 -0.34 0.00 0.71 0.00 0.00 54.79 52.68 1nlq n ASP 58 Cb 1.89 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 42.56 1nlq n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nlq n SER 59 N -0.38 -2.83 -4.67 -2.24 7.64 0.29 -4.87 113.62 106.57 1nlq n SER 59 Ca 0.12 -0.88 -0.37 0.00 1.01 0.00 0.00 58.87 58.75 1nlq n SER 59 Cb 0.88 -2.36 -0.08 0.00 -1.01 0.00 0.00 64.21 61.64 1nlq n SER 59 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nlq s VAL 60 N -3.13 5.26 -0.28 0.44 1.01 -0.51 -5.01 120.40 118.20 1nlq s VAL 60 Ca 0.67 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.15 1nlq s VAL 60 Cb -0.37 -3.64 0.17 0.00 0.00 0.00 0.00 36.38 32.53 1nlq s VAL 60 CO 0.82 0.29 0.49 -1.58 0.00 0.00 0.00 175.10 175.12 1nlq s GLN 61 N 1.21 0.46 -0.20 2.72 0.74 -1.25 -0.87 119.66 122.47 1nlq s GLN 61 Ca 0.14 0.58 -0.27 0.00 0.05 0.00 0.00 55.36 55.87 1nlq s GLN 61 Cb -0.14 -0.02 0.09 0.00 1.10 0.00 0.00 33.01 34.04 1nlq s GLN 61 CO 0.06 -0.79 0.82 -1.50 -0.55 0.00 0.00 175.29 173.33 1nlq s ILE 62 N 2.68 0.00 0.29 -2.34 2.07 -0.94 -4.99 121.20 117.98 1nlq s ILE 62 Ca 0.14 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.09 1nlq s ILE 62 Cb -0.14 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.35 1nlq s ILE 62 CO -0.22 0.00 1.41 -2.84 -1.91 0.00 0.00 174.94 171.38 1nlq s PRO 63 N -0.26 4.27 0.00 3.50 0.02 -1.26 -1.14 135.00 140.12 1nlq s PRO 63 Ca -0.02 2.32 0.06 0.00 0.02 0.00 0.00 61.00 63.38 1nlq s PRO 63 Cb -0.03 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.43 1nlq s PRO 63 CO 0.02 -0.38 0.57 0.44 -0.33 0.00 0.00 177.00 177.32 1nlq n ILE 64 N 1.65 0.00 -3.69 2.83 -5.35 0.55 -4.86 119.36 110.50 1nlq n ILE 64 Ca 0.04 -0.47 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 1nlq n ILE 64 Cb 0.40 1.09 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 1nlq n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nlq s ALA 65 N -0.73 -1.29 -0.21 -1.28 0.00 -1.16 -4.87 121.76 112.23 1nlq s ALA 65 Ca 0.06 1.69 -0.01 0.00 0.00 0.00 0.00 51.96 53.69 1nlq s ALA 65 Cb 0.05 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1nlq s ALA 65 CO 0.11 -0.28 -0.01 0.08 0.00 0.00 0.00 175.76 175.66 1nlq s VAL 66 N 1.10 0.99 0.21 0.00 1.01 -1.26 -1.60 120.40 120.84 1nlq s VAL 66 Ca -0.07 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1nlq s VAL 66 Cb -0.06 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1nlq s VAL 66 CO -0.10 -0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 173.91 1nlq s LEU 67 N 1.65 2.49 -0.30 3.92 1.43 0.37 -4.92 118.68 123.32 1nlq s LEU 67 Ca -0.03 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.02 1nlq s LEU 67 Cb -0.18 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.17 1nlq s LEU 67 CO -0.07 0.03 0.76 -0.75 0.23 0.00 0.00 176.35 176.54 1nlq s LYS 68 N -3.04 0.50 0.09 1.70 2.20 -0.50 -0.34 119.74 120.37 1nlq s LYS 68 Ca 0.22 1.21 -0.34 0.00 -0.36 0.00 0.00 55.97 56.70 1nlq s LYS 68 Cb -0.06 0.67 -0.13 0.00 -1.51 0.00 0.00 37.83 36.80 1nlq s LYS 68 CO 0.10 -0.16 1.66 0.00 -0.36 0.00 0.00 175.35 176.58 1nlq n ALA 69 N 5.16 1.22 0.00 3.13 0.00 -1.26 -0.84 120.51 127.91 1nlq n ALA 69 Ca -0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nlq n ALA 69 Cb 0.51 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1nlq n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlq n GLY 70 N 3.67 3.00 1.39 0.00 0.00 -1.26 -1.85 105.19 110.15 1nlq n GLY 70 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nlq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nlq n GLU 71 N -1.68 0.00 -3.75 1.61 2.13 -0.08 -5.05 120.64 113.81 1nlq n GLU 71 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1nlq n GLU 71 Cb 0.00 -0.32 -0.16 0.00 0.27 0.00 0.00 31.44 31.24 1nlq n GLU 71 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nlq s THR 72 N -2.00 0.70 -0.11 6.31 2.01 -0.02 -4.97 115.64 117.56 1nlq s THR 72 Ca 0.00 -0.87 0.14 0.00 0.31 0.00 0.00 61.69 61.27 1nlq s THR 72 Cb 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 1nlq s THR 72 CO 0.00 -0.35 1.25 -0.09 -0.69 0.00 0.00 174.62 174.75 1nlq h ARG 73 N 8.18 0.00 -2.58 4.92 9.65 -1.95 -1.32 114.38 131.28 1nlq h ARG 73 Ca -0.16 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.76 1nlq h ARG 73 Cb 1.08 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.52 1nlq h ARG 73 CO 0.39 0.52 0.34 0.00 2.80 0.00 0.00 179.97 184.02 1nlq s ALA 74 N -2.91 -1.72 0.11 2.80 0.00 -1.26 -1.22 121.76 117.57 1nlq s ALA 74 Ca 0.02 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1nlq s ALA 74 Cb 0.08 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1nlq s ALA 74 CO 0.77 -0.70 -0.13 0.14 0.00 0.00 0.00 175.76 175.85 1nlq s VAL 75 N -3.24 1.21 -0.62 0.00 -7.23 -0.65 -5.00 120.40 104.87 1nlq s VAL 75 Ca 0.02 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 1nlq s VAL 75 Cb -0.01 -1.45 0.17 0.00 0.56 0.00 0.00 36.38 35.65 1nlq s VAL 75 CO -0.09 -0.44 0.44 0.20 -0.31 0.00 0.00 175.10 174.90 1nlq s ASN 76 N -2.40 3.90 0.13 4.85 0.01 -1.26 -1.43 114.94 118.74 1nlq s ASN 76 Ca 0.07 -3.61 -0.20 0.00 -0.71 0.00 0.00 52.86 48.42 1nlq s ASN 76 Cb -0.05 -1.31 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1nlq s ASN 76 CO 0.02 -0.11 1.72 -0.65 -1.51 0.00 0.00 177.10 176.57 1nlq h PRO 77 N 5.51 0.07 -5.89 -0.60 0.11 -1.76 -3.47 132.00 125.98 1nlq h PRO 77 Ca 0.17 -0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.87 1nlq h PRO 77 Cb 0.80 -0.02 0.12 0.00 0.11 0.00 0.00 31.00 32.02 1nlq h PRO 77 CO 0.62 0.05 -0.70 -3.47 -0.21 0.00 0.00 178.00 174.29 1nlq n ASP 78 N -5.13 -5.71 -4.94 -2.05 2.03 0.37 -4.99 116.55 96.13 1nlq n ASP 78 Ca -0.03 -0.58 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 1nlq n ASP 78 Cb 0.10 -4.90 -0.02 0.00 -0.72 0.00 0.00 41.12 35.58 1nlq n ASP 78 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1nlq s VAL 79 N -3.33 4.97 0.08 5.18 -7.23 -1.01 -4.89 120.40 114.18 1nlq s VAL 79 Ca 0.53 -1.09 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1nlq s VAL 79 Cb -0.24 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 1nlq s VAL 79 CO 0.74 -0.32 -0.12 -1.83 -0.31 0.00 0.00 175.10 173.26 1nlq s GLU 80 N -3.96 0.79 -0.14 4.82 -1.05 -1.26 -0.62 118.70 117.29 1nlq s GLU 80 Ca 0.35 -0.99 -0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1nlq s GLU 80 Cb -0.09 -0.67 0.03 0.00 -0.44 0.00 0.00 34.13 32.95 1nlq s GLU 80 CO 0.28 0.14 -0.11 -0.06 0.95 0.00 0.00 175.26 176.46 1nlq s PHE 81 N -1.62 1.85 -0.16 4.83 0.40 -0.22 -4.98 117.98 118.07 1nlq s PHE 81 Ca -0.01 -1.02 -0.07 0.00 -0.60 0.00 0.00 56.93 55.24 1nlq s PHE 81 Cb -0.08 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1nlq s PHE 81 CO 0.02 -0.60 0.07 -0.47 0.70 0.00 0.00 175.22 174.93 1nlq s TYR 82 N 1.59 3.30 -0.71 0.36 5.04 -1.26 -0.91 117.35 124.75 1nlq s TYR 82 Ca 0.04 0.17 -0.17 0.00 -2.44 0.00 0.00 57.07 54.67 1nlq s TYR 82 Cb -0.13 -2.02 0.02 0.00 0.35 0.00 0.00 41.96 40.18 1nlq s TYR 82 CO -0.09 0.29 0.42 0.39 -1.34 0.00 0.00 175.55 175.21 1nlq n GLU 83 N 3.11 -0.62 -3.58 4.97 1.02 0.42 -4.91 120.64 121.04 1nlq n GLU 83 Ca -0.17 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 1nlq n GLU 83 Cb 0.53 -1.24 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 1nlq n GLU 83 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nlq s SER 84 N -3.71 -0.42 -0.19 1.62 1.04 -1.26 -5.08 113.70 105.70 1nlq s SER 84 Ca 0.24 0.13 -0.27 0.00 0.48 0.00 0.00 55.95 56.53 1nlq s SER 84 Cb -0.13 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1nlq s SER 84 CO 0.61 -0.73 0.92 -0.75 0.98 0.00 0.00 173.24 174.27 1nlq s LYS 85 N -2.55 4.29 -0.11 4.02 2.20 -1.26 -4.76 119.74 121.57 1nlq s LYS 85 Ca -0.05 1.16 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 1nlq s LYS 85 Cb -0.01 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1nlq s LYS 85 CO -0.03 -0.44 -0.22 0.08 -0.36 0.00 0.00 175.35 174.38 1nlq s VAL 86 N 2.54 2.19 -0.12 4.02 1.01 -0.07 -4.27 120.40 125.70 1nlq s VAL 86 Ca 0.41 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1nlq s VAL 86 Cb -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1nlq s VAL 86 CO 0.11 0.55 -0.21 -0.89 0.00 0.00 0.00 175.10 174.65 1nlq s THR 87 N 0.40 2.22 -0.16 3.92 2.01 -0.14 0.48 115.64 124.36 1nlq s THR 87 Ca -0.17 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 1nlq s THR 87 Cb -0.17 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1nlq s THR 87 CO 0.07 0.55 0.04 -0.36 -0.69 0.00 0.00 174.62 174.24 1nlq s PHE 88 N 0.52 3.23 -0.02 4.92 0.40 0.44 -0.24 117.98 127.23 1nlq s PHE 88 Ca -0.13 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1nlq s PHE 88 Cb -0.17 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 1nlq s PHE 88 CO 0.05 0.20 -0.07 0.21 0.70 0.00 0.00 175.22 176.31 1nlq s LYS 89 N 0.12 0.72 -0.83 0.44 2.20 0.19 -1.65 119.74 120.92 1nlq s LYS 89 Ca 0.04 -0.26 -0.22 0.00 -0.36 0.00 0.00 55.97 55.17 1nlq s LYS 89 Cb -0.12 -0.69 0.08 0.00 -1.51 0.00 0.00 37.83 35.58 1nlq s LYS 89 CO 0.01 0.12 1.17 -1.17 -0.36 0.00 0.00 175.35 175.12 1nlq s LEU 90 N 0.05 4.23 0.00 5.43 2.96 0.45 -0.31 118.68 131.48 1nlq s LEU 90 Ca -0.00 -1.35 0.28 0.00 -0.22 0.00 0.00 54.13 52.84 1nlq s LEU 90 Cb -0.06 -2.47 1.06 0.00 0.50 0.00 0.00 46.19 45.23 1nlq s LEU 90 CO -0.00 -1.39 1.76 2.30 -1.32 0.00 0.00 176.35 177.69 1nlq n ILE 91 N 6.06 0.00 -3.66 6.68 -5.35 -0.43 -4.84 119.36 117.83 1nlq n ILE 91 Ca 0.14 -0.09 -0.11 0.00 -0.27 0.00 0.00 62.75 62.41 1nlq n ILE 91 Cb 0.48 0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.41 1nlq n ILE 91 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1nlq s LYS 92 N -2.45 0.69 0.00 6.28 2.20 -1.21 -4.95 119.74 120.30 1nlq s LYS 92 Ca 0.28 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1nlq s LYS 92 Cb 0.20 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1nlq s LYS 92 CO 0.48 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 1nlq n GLY 93 N 3.41 0.66 0.26 5.54 0.00 -1.16 -0.85 105.19 113.06 1nlq n GLY 93 Ca -0.17 -1.88 0.04 0.00 0.00 0.00 0.00 46.02 44.01 1nlq n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nlq n SER 94 N -0.54 1.40 0.00 1.61 7.64 -1.26 -4.59 113.62 117.88 1nlq n SER 94 Ca 0.00 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.68 1nlq n SER 94 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1nlq n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nlq n GLY 95 N 0.63 0.34 3.79 0.23 0.00 -1.26 -2.26 105.19 106.65 1nlq n GLY 95 Ca 0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1nlq n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nlq s PRO 96 N 0.00 2.91 -0.04 1.61 0.04 -1.26 -4.13 135.00 134.12 1nlq s PRO 96 Ca 0.00 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.32 1nlq s PRO 96 Cb 0.00 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1nlq s PRO 96 CO 0.00 -1.15 -0.11 0.08 0.04 0.00 0.00 177.00 175.86 1nlq s VAL 97 N -2.52 1.00 -0.10 -0.36 1.01 -0.25 -0.41 120.40 118.76 1nlq s VAL 97 Ca 0.64 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1nlq s VAL 97 Cb -0.18 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1nlq s VAL 97 CO 0.43 0.31 -0.03 -0.31 0.00 0.00 0.00 175.10 175.51 1nlq s TYR 98 N 0.38 3.05 -0.19 5.22 1.51 0.71 -0.66 117.35 127.38 1nlq s TYR 98 Ca -0.08 0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1nlq s TYR 98 Cb -0.12 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1nlq s TYR 98 CO 0.02 0.28 -0.10 0.42 -1.11 0.00 0.00 175.55 175.06 1nlq s ILE 99 N -0.49 2.98 0.06 2.71 1.01 0.14 -0.74 121.20 126.87 1nlq s ILE 99 Ca 0.08 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1nlq s ILE 99 Cb -0.12 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1nlq s ILE 99 CO 0.02 0.47 -0.25 -1.00 0.00 0.00 0.00 174.94 174.18 1nlq s HIS 100 N 1.17 2.36 0.00 3.97 3.76 0.82 -1.69 115.29 125.68 1nlq s HIS 100 Ca 0.02 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1nlq s HIS 100 Cb -0.14 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.17 1nlq s HIS 100 CO -0.03 0.19 0.00 0.41 -0.85 0.00 0.00 174.74 174.45 1nlq n GLY 101 N 1.57 0.90 3.37 -2.22 0.00 -0.27 -0.54 105.19 108.00 1nlq n GLY 101 Ca -0.17 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 1nlq n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nlq s HIS 102 N -2.33 2.85 -0.61 1.61 3.76 0.15 -1.47 115.29 119.24 1nlq s HIS 102 Ca 0.00 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.14 1nlq s HIS 102 Cb 0.00 -1.88 0.16 0.00 1.11 0.00 0.00 32.58 31.97 1nlq s HIS 102 CO 0.00 -0.23 0.53 1.21 -0.85 0.00 0.00 174.74 175.40 1nlq s ASN 103 N 0.46 6.11 -0.27 1.40 3.84 0.11 -1.08 114.94 125.53 1nlq s ASN 103 Ca -0.09 -2.21 -0.23 0.00 0.21 0.00 0.00 52.86 50.54 1nlq s ASN 103 Cb -0.16 -2.11 -0.01 0.00 -0.55 0.00 0.00 41.25 38.43 1nlq s ASN 103 CO 0.04 -0.67 0.78 -0.63 -2.79 0.00 0.00 177.10 173.83 1nlq s ILE 104 N 0.92 4.85 0.22 -5.21 1.01 0.31 -1.46 121.20 121.83 1nlq s ILE 104 Ca 0.10 1.35 -0.00 0.00 0.00 0.00 0.00 60.65 62.09 1nlq s ILE 104 Cb -0.22 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1nlq s ILE 104 CO -0.02 -0.12 1.56 0.11 0.00 0.00 0.00 174.94 176.46 1nlq h LYS 105 N 7.88 0.47 0.00 2.79 1.79 -1.11 -1.34 116.57 127.05 1nlq h LYS 105 Ca -0.24 -0.28 0.03 0.00 -2.18 0.00 0.00 60.65 57.98 1nlq h LYS 105 Cb 1.10 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1nlq h LYS 105 CO 0.86 0.87 0.21 -0.40 -1.08 0.00 0.00 179.45 179.91 1nlq n ASP 106 N -3.97 -1.04 -0.37 0.86 5.68 -1.26 -3.92 116.55 112.53 1nlq n ASP 106 Ca -0.02 -1.65 0.05 0.00 -0.50 0.00 0.00 54.79 52.66 1nlq n ASP 106 Cb 0.57 1.72 0.04 0.00 -1.14 0.00 0.00 41.12 42.31 1nlq n ASP 106 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97