#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlq s SER 5 N 0.00 -0.70 0.37 -1.84 0.15 -0.67 -4.96 113.70 106.04 1nlq s SER 5 Ca 0.00 1.03 -0.27 0.00 0.70 0.00 0.00 55.95 57.40 1nlq s SER 5 Cb 0.00 0.93 -0.10 0.00 -1.71 0.00 0.00 66.02 65.14 1nlq s SER 5 CO 0.00 -0.46 1.31 0.12 1.20 0.00 0.00 173.24 175.41 1nlq s PHE 6 N -0.53 2.92 -0.18 3.44 5.36 -1.26 -0.88 117.98 126.85 1nlq s PHE 6 Ca -0.06 1.40 -0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1nlq s PHE 6 Cb -0.02 -3.69 0.01 0.00 -0.34 0.00 0.00 43.02 38.98 1nlq s PHE 6 CO 0.06 -2.01 -0.15 -0.47 -1.46 0.00 0.00 175.22 171.20 1nlq s TYR 7 N -1.20 2.82 -0.20 10.12 5.04 0.12 -4.84 117.35 129.20 1nlq s TYR 7 Ca 0.53 -1.27 -0.04 0.00 -2.44 0.00 0.00 57.07 53.85 1nlq s TYR 7 Cb -0.39 -1.95 0.10 0.00 0.35 0.00 0.00 41.96 40.06 1nlq s TYR 7 CO 0.51 -0.63 0.26 0.20 -1.34 0.00 0.00 175.55 174.55 1nlq s GLY 8 N 1.17 -0.10 0.07 8.97 0.00 -1.26 -0.70 107.32 115.48 1nlq s GLY 8 Ca 0.02 0.48 0.06 0.00 0.00 0.00 0.00 44.72 45.27 1nlq s GLY 8 CO -0.06 2.23 -0.15 -1.34 0.00 0.00 0.00 173.10 173.78 1nlq s VAL 9 N 2.38 1.21 -0.08 1.40 -7.23 -0.80 -4.98 120.40 112.30 1nlq s VAL 9 Ca 0.07 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 1nlq s VAL 9 Cb -0.15 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1nlq s VAL 9 CO -0.12 -0.15 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.51 1nlq s THR 10 N -1.16 3.24 -0.05 5.32 2.01 -1.26 -1.01 115.64 122.73 1nlq s THR 10 Ca 0.00 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.43 1nlq s THR 10 Cb -0.10 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1nlq s THR 10 CO 0.02 0.57 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.53 1nlq s LEU 11 N -0.39 2.19 0.28 4.42 1.43 0.02 -4.95 118.68 121.69 1nlq s LEU 11 Ca 0.05 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1nlq s LEU 11 Cb -0.12 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1nlq s LEU 11 CO 0.02 0.28 0.25 0.42 0.23 0.00 0.00 176.35 177.56 1nlq s THR 12 N -0.39 0.00 0.22 5.49 -4.23 -0.21 -1.12 115.64 115.40 1nlq s THR 12 Ca 0.03 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 1nlq s THR 12 Cb -0.12 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.38 1nlq s THR 12 CO 0.02 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.88 1nlq h ALA 13 N 2.30 1.06 0.00 3.99 0.00 -1.62 0.11 119.26 125.11 1nlq h ALA 13 Ca -0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1nlq h ALA 13 Cb 1.24 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1nlq h ALA 13 CO 0.42 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 181.04 1nlq h GLU 14 N 1.17 0.00 -1.77 0.00 3.07 -1.96 -3.36 114.58 111.73 1nlq h GLU 14 Ca 0.27 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.74 1nlq h GLU 14 Cb 0.20 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.83 1nlq h GLU 14 CO -0.02 0.23 -0.76 0.45 -1.40 0.00 0.00 179.01 177.51 1nlq s SER 15 N -6.21 0.19 0.00 1.42 0.15 -0.84 -5.03 113.70 103.38 1nlq s SER 15 Ca 0.00 -2.42 0.20 0.00 0.70 0.00 0.00 55.95 54.44 1nlq s SER 15 Cb 0.10 0.60 0.84 0.00 -1.71 0.00 0.00 66.02 65.86 1nlq s SER 15 CO 0.64 -0.13 1.59 -0.90 1.20 0.00 0.00 173.24 175.64 1nlq n ASP 16 N 2.97 1.29 -3.84 5.45 5.68 0.32 -1.04 116.55 127.38 1nlq n ASP 16 Ca 0.24 -1.64 -0.12 0.00 -0.50 0.00 0.00 54.79 52.77 1nlq n ASP 16 Cb 0.51 -0.08 -0.13 0.00 -1.14 0.00 0.00 41.12 40.29 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 -1.58 -0.10 0.02 -1.12 0.15 -1.26 0.12 113.70 109.92 1nlq s SER 17 Ca 0.31 0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1nlq s SER 17 Cb 0.16 0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 1nlq s SER 17 CO 0.25 -0.07 -0.03 0.54 1.20 0.00 0.00 173.24 175.13 1nlq s VAL 18 N -0.07 0.18 0.03 4.45 0.11 -0.60 -5.00 120.40 119.50 1nlq s VAL 18 Ca -0.01 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 1nlq s VAL 18 Cb -0.01 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1nlq s VAL 18 CO 0.00 -0.36 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.31 1nlq s THR 19 N -1.12 1.67 -0.26 5.04 2.01 -1.26 -0.85 115.64 120.87 1nlq s THR 19 Ca -0.11 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 60.73 1nlq s THR 19 Cb -0.08 -1.44 0.03 0.00 0.01 0.00 0.00 72.50 71.02 1nlq s THR 19 CO -0.01 0.26 -0.04 0.86 -0.69 0.00 0.00 174.62 175.00 1nlq s TRP 20 N -0.74 3.10 -0.31 4.92 -0.00 0.16 -4.98 118.94 121.08 1nlq s TRP 20 Ca 0.08 -1.56 -0.02 0.00 -0.00 0.00 0.00 56.10 54.60 1nlq s TRP 20 Cb -0.09 -2.08 0.12 0.00 -0.00 0.00 0.00 33.47 31.43 1nlq s TRP 20 CO 0.01 -0.73 0.18 0.34 -0.00 0.00 0.00 176.95 176.76 1nlq s ASP 21 N 1.33 3.06 0.00 5.86 -1.08 -1.26 -1.03 116.67 123.54 1nlq s ASP 21 Ca -0.00 -1.55 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1nlq s ASP 21 Cb -0.17 -0.24 0.00 0.00 -1.46 0.00 0.00 42.92 41.05 1nlq s ASP 21 CO -0.04 -0.38 0.00 1.33 0.52 0.00 0.00 175.17 176.60 1nlq n VAL 22 N 4.81 0.00 0.00 1.11 0.24 -1.26 -5.12 118.33 118.11 1nlq n VAL 22 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1nlq n VAL 22 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1nlq n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nlq n ALA 27 N -3.00 0.00 -1.67 2.33 0.00 -1.26 -5.10 120.51 111.81 1nlq n ALA 27 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1nlq n ALA 27 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1nlq n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1nlq n ARG 28 N -1.93 2.22 -0.36 0.00 3.00 -1.26 -1.82 116.66 116.52 1nlq n ARG 28 Ca 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 57.85 58.65 1nlq n ARG 28 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 32.46 29.88 1nlq n ARG 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nlq n GLY 29 N 3.52 1.76 3.74 5.14 0.00 -1.26 -4.97 105.19 113.12 1nlq n GLY 29 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1nlq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nlq s GLN 30 N -0.08 4.52 -0.06 1.61 0.74 -0.75 -4.25 119.66 121.38 1nlq s GLN 30 Ca 0.00 1.86 -0.05 0.00 0.05 0.00 0.00 55.36 57.22 1nlq s GLN 30 Cb 0.00 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.90 1nlq s GLN 30 CO 0.00 -0.04 0.17 -1.59 -0.55 0.00 0.00 175.29 173.28 1nlq s LYS 31 N -0.44 0.18 -0.24 1.67 -2.85 -0.98 0.68 119.74 117.75 1nlq s LYS 31 Ca 0.51 0.25 -0.09 0.00 -1.00 0.00 0.00 55.97 55.65 1nlq s LYS 31 Cb -0.32 0.06 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 1nlq s LYS 31 CO 0.37 -0.04 0.12 -1.17 0.10 0.00 0.00 175.35 174.73 1nlq s LEU 32 N 0.25 3.79 -0.21 2.77 2.96 -0.17 -2.00 118.68 126.06 1nlq s LEU 32 Ca -0.01 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1nlq s LEU 32 Cb -0.03 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1nlq s LEU 32 CO -0.01 0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 1nlq s VAL 33 N 1.35 4.30 -0.38 1.68 1.01 -0.25 -0.79 120.40 127.32 1nlq s VAL 33 Ca 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1nlq s VAL 33 Cb -0.15 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1nlq s VAL 33 CO 0.05 0.40 0.24 -0.63 0.00 0.00 0.00 175.10 175.16 1nlq s ILE 34 N 1.07 4.90 -0.13 2.22 -1.09 0.46 -1.83 121.20 126.80 1nlq s ILE 34 Ca 0.03 -0.67 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 1nlq s ILE 34 Cb -0.14 -3.68 -0.25 0.00 -1.58 0.00 0.00 42.46 36.80 1nlq s ILE 34 CO 0.03 -0.20 0.37 0.11 -1.23 0.00 0.00 174.94 174.01 1nlq h LYS 35 N 8.50 0.23 -3.18 2.79 1.79 -1.02 -0.35 116.57 125.34 1nlq h LYS 35 Ca -0.27 -0.40 -0.15 0.00 -2.18 0.00 0.00 60.65 57.65 1nlq h LYS 35 Cb 1.12 0.15 -0.23 0.00 -1.58 0.00 0.00 32.23 31.69 1nlq h LYS 35 CO 0.68 1.19 -0.40 -1.14 -1.08 0.00 0.00 179.45 178.70 1nlq s GLN 36 N -2.53 0.43 -0.16 3.15 0.74 -0.80 -3.51 119.66 116.99 1nlq s GLN 36 Ca -0.23 0.05 -0.00 0.00 0.05 0.00 0.00 55.36 55.23 1nlq s GLN 36 Cb 0.06 0.20 0.04 0.00 1.10 0.00 0.00 33.01 34.41 1nlq s GLN 36 CO 0.75 -0.09 -0.06 0.42 -0.55 0.00 0.00 175.29 175.76 1nlq s ILE 37 N -0.56 1.10 -0.05 -2.34 1.01 -0.55 0.05 121.20 119.85 1nlq s ILE 37 Ca -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1nlq s ILE 37 Cb -0.04 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 1nlq s ILE 37 CO 0.02 0.18 -0.20 -0.22 0.00 0.00 0.00 174.94 174.71 1nlq s LEU 38 N 1.65 2.39 -0.14 2.97 2.96 0.37 -1.60 118.68 127.28 1nlq s LEU 38 Ca 0.02 -0.36 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 1nlq s LEU 38 Cb -0.15 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 1nlq s LEU 38 CO -0.08 0.30 0.63 -0.22 -1.32 0.00 0.00 176.35 175.66 1nlq s LEU 39 N -0.48 4.23 0.67 -0.68 2.96 -0.15 -0.03 118.68 125.21 1nlq s LEU 39 Ca 0.06 0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 54.75 1nlq s LEU 39 Cb -0.12 -2.92 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1nlq s LEU 39 CO 0.01 -0.17 1.24 -0.83 -1.32 0.00 0.00 176.35 175.28 1nlq s GLY 40 N 0.94 2.63 0.49 7.98 0.00 0.28 -4.92 107.32 114.73 1nlq s GLY 40 Ca 0.31 1.03 0.15 0.00 0.00 0.00 0.00 44.72 46.21 1nlq s GLY 40 CO 0.13 1.44 2.11 0.00 0.00 0.00 0.00 173.10 176.78 1nlq h ALA 41 N 0.30 1.98 -0.00 3.20 0.00 -1.96 -1.96 119.26 120.81 1nlq h ALA 41 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nlq h ALA 41 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nlq h ALA 41 CO 0.52 -0.00 -0.07 0.39 0.00 0.00 0.00 179.25 180.09 1nlq n GLU 42 N -4.51 0.10 -1.60 0.00 4.71 -1.26 -4.91 120.64 113.18 1nlq n GLU 42 Ca 0.00 -0.01 -0.44 0.00 -0.01 0.00 0.00 57.16 56.70 1nlq n GLU 42 Cb 0.14 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.07 1nlq n GLU 42 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1nlq n ALA 43 N -1.44 0.02 -1.77 0.62 0.00 -0.74 -4.85 120.51 112.35 1nlq n ALA 43 Ca 0.08 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 1nlq n ALA 43 Cb 0.32 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1nlq n ALA 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nlq s LYS 44 N -1.69 4.14 0.33 0.00 2.47 -1.26 -4.90 119.74 118.83 1nlq s LYS 44 Ca 0.59 2.56 -0.29 0.00 -1.56 0.00 0.00 55.97 57.27 1nlq s LYS 44 Cb -0.65 -3.07 -0.12 0.00 -1.46 0.00 0.00 37.83 32.53 1nlq s LYS 44 CO 0.60 -0.69 1.49 -1.91 0.16 0.00 0.00 175.35 174.99 1nlq n GLU 45 N 3.50 2.53 -1.12 4.03 4.07 -1.26 -1.90 120.64 130.49 1nlq n GLU 45 Ca 0.13 0.89 -0.04 0.00 -0.06 0.00 0.00 57.16 58.09 1nlq n GLU 45 Cb 0.36 -2.61 -0.02 0.00 -0.06 0.00 0.00 31.44 29.11 1nlq n GLU 45 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1nlq n ASN 46 N 1.32 -5.42 -4.64 4.31 4.05 -0.85 -4.94 115.26 109.08 1nlq n ASN 46 Ca 0.06 0.10 -0.39 0.00 0.45 0.00 0.00 54.58 54.79 1nlq n ASN 46 Cb 0.37 -3.28 -0.08 0.00 1.23 0.00 0.00 39.78 38.02 1nlq n ASN 46 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1nlq s GLU 47 N -2.09 4.12 0.11 1.20 2.12 -0.80 -4.94 118.70 118.42 1nlq s GLU 47 Ca 0.00 0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.31 1nlq s GLU 47 Cb 0.00 -3.60 -0.07 0.00 0.26 0.00 0.00 34.13 30.71 1nlq s GLU 47 CO 0.00 -0.22 1.29 -0.06 -0.54 0.00 0.00 175.26 175.73 1nlq s PHE 48 N 1.89 3.33 -0.19 5.30 0.40 -1.26 -4.28 117.98 123.17 1nlq s PHE 48 Ca 0.21 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1nlq s PHE 48 Cb -0.15 -3.56 0.03 0.00 0.51 0.00 0.00 43.02 39.85 1nlq s PHE 48 CO 0.09 -1.82 -0.17 -0.80 0.70 0.00 0.00 175.22 173.21 1nlq s ASN 49 N 0.94 3.23 -0.12 1.36 0.01 0.45 -3.24 114.94 117.57 1nlq s ASN 49 Ca 0.61 -0.73 0.03 0.00 -0.71 0.00 0.00 52.86 52.06 1nlq s ASN 49 Cb -0.34 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 39.91 1nlq s ASN 49 CO 0.31 -0.04 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.94 1nlq s VAL 50 N 1.31 2.10 -0.19 1.60 1.01 -0.32 -0.15 120.40 125.76 1nlq s VAL 50 Ca 0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1nlq s VAL 50 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1nlq s VAL 50 CO -0.11 0.55 -0.00 -0.69 0.00 0.00 0.00 175.10 174.85 1nlq s VAL 51 N 0.54 3.97 -0.11 2.92 1.01 -0.36 -1.42 120.40 126.95 1nlq s VAL 51 Ca -0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1nlq s VAL 51 Cb -0.17 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1nlq s VAL 51 CO 0.04 0.44 -0.02 -0.70 0.00 0.00 0.00 175.10 174.86 1nlq s GLU 52 N 0.87 3.17 -0.07 2.72 2.12 0.88 -0.56 118.70 127.82 1nlq s GLU 52 Ca 0.01 -0.47 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 1nlq s GLU 52 Cb -0.14 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1nlq s GLU 52 CO 0.02 0.55 0.03 0.54 -0.54 0.00 0.00 175.26 175.86 1nlq s VAL 53 N -0.47 4.53 -0.13 3.70 0.11 -0.28 -0.91 120.40 126.95 1nlq s VAL 53 Ca 0.08 -0.22 -0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1nlq s VAL 53 Cb -0.12 -2.94 0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1nlq s VAL 53 CO 0.02 0.56 -0.09 0.21 -3.33 0.00 0.00 175.10 172.48 1nlq s ASN 54 N -1.06 2.46 -0.39 3.54 3.84 -0.02 -1.83 114.94 121.48 1nlq s ASN 54 Ca 0.15 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 52.79 1nlq s ASN 54 Cb -0.12 -0.94 0.13 0.00 -0.55 0.00 0.00 41.25 39.77 1nlq s ASN 54 CO 0.04 -0.12 0.19 -0.89 -2.79 0.00 0.00 177.10 173.54 1nlq s THR 55 N 1.64 1.10 0.21 -5.21 2.01 -0.04 -1.92 115.64 113.43 1nlq s THR 55 Ca 0.04 -2.11 -0.12 0.00 0.31 0.00 0.00 61.69 59.81 1nlq s THR 55 Cb -0.13 -1.79 0.23 0.00 0.01 0.00 0.00 72.50 70.82 1nlq s THR 55 CO -0.09 -0.84 1.63 -0.65 -0.69 0.00 0.00 174.62 173.99 1nlq h PRO 56 N 7.17 0.03 -0.91 4.92 0.11 -1.80 -2.17 132.00 139.35 1nlq h PRO 56 Ca -0.04 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.26 1nlq h PRO 56 Cb 0.96 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 1nlq h PRO 56 CO 0.45 0.02 0.59 -0.22 -0.21 0.00 0.00 178.00 178.63 1nlq h LYS 57 N 0.03 0.49 -0.41 1.05 3.64 -1.95 -1.35 116.57 118.07 1nlq h LYS 57 Ca 0.32 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1nlq h LYS 57 Cb 0.51 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1nlq h LYS 57 CO -0.63 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 176.62 1nlq n ASP 58 N -4.55 4.08 -3.78 4.20 8.00 -0.85 -4.99 116.55 118.67 1nlq n ASP 58 Ca 0.19 -2.63 -0.32 0.00 0.71 0.00 0.00 54.79 52.74 1nlq n ASP 58 Cb 0.64 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 0.25 -5.06 -3.72 -2.24 7.64 -0.51 -4.99 113.62 104.99 1nlq n SER 59 Ca 0.21 -1.02 -0.12 0.00 1.01 0.00 0.00 58.87 58.95 1nlq n SER 59 Cb 0.82 -2.59 -0.12 0.00 -1.01 0.00 0.00 64.21 61.31 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 -3.33 -0.03 -0.17 0.44 1.01 -1.11 -5.05 120.40 112.16 1nlq s VAL 60 Ca 0.33 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 1nlq s VAL 60 Cb -0.15 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.79 1nlq s VAL 60 CO 0.90 0.04 0.08 -1.58 0.00 0.00 0.00 175.10 174.53 1nlq s GLN 61 N 1.12 0.18 -0.04 2.72 0.74 -1.26 -0.86 119.66 122.25 1nlq s GLN 61 Ca -0.08 -0.13 -0.29 0.00 0.05 0.00 0.00 55.36 54.91 1nlq s GLN 61 Cb -0.08 -1.84 0.07 0.00 1.10 0.00 0.00 33.01 32.25 1nlq s GLN 61 CO -0.09 -0.65 0.65 -1.50 -0.55 0.00 0.00 175.29 173.15 1nlq s ILE 62 N 2.08 0.00 0.30 -2.34 2.07 -0.76 -4.99 121.20 117.57 1nlq s ILE 62 Ca 0.02 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 58.92 1nlq s ILE 62 Cb -0.16 -0.97 -0.10 0.00 0.13 0.00 0.00 42.46 41.36 1nlq s ILE 62 CO -0.09 -0.02 1.21 -2.84 -1.91 0.00 0.00 174.94 171.29 1nlq s PRO 63 N -1.29 4.49 0.00 3.50 0.02 -1.26 -1.13 135.00 139.33 1nlq s PRO 63 Ca -0.11 2.01 0.05 0.00 0.02 0.00 0.00 61.00 62.97 1nlq s PRO 63 Cb -0.00 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.41 1nlq s PRO 63 CO 0.09 0.00 0.60 0.44 -0.33 0.00 0.00 177.00 177.80 1nlq n ILE 64 N 1.07 0.00 -3.69 2.83 -5.35 0.28 -4.87 119.36 109.63 1nlq n ILE 64 Ca -0.00 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 61.88 1nlq n ILE 64 Cb 0.43 1.09 -0.10 0.00 -1.74 0.00 0.00 39.64 39.32 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 -0.49 -1.25 -0.20 -1.28 0.00 -1.16 -4.81 121.76 112.57 1nlq s ALA 65 Ca 0.05 1.67 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 1nlq s ALA 65 Cb 0.04 -1.00 0.06 0.00 0.00 0.00 0.00 23.12 22.21 1nlq s ALA 65 CO 0.07 -0.28 -0.00 0.08 0.00 0.00 0.00 175.76 175.62 1nlq s VAL 66 N 1.17 0.91 0.25 0.00 1.01 -1.26 -1.22 120.40 121.26 1nlq s VAL 66 Ca -0.07 -0.75 0.11 0.00 0.00 0.00 0.00 61.98 61.27 1nlq s VAL 66 Cb -0.07 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1nlq s VAL 66 CO -0.11 -0.12 -0.20 -0.76 0.00 0.00 0.00 175.10 173.92 1nlq s LEU 67 N 1.69 2.56 -0.30 3.92 1.43 0.79 -4.93 118.68 123.84 1nlq s LEU 67 Ca -0.02 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 1nlq s LEU 67 Cb -0.17 -1.05 0.15 0.00 0.03 0.00 0.00 46.19 45.15 1nlq s LEU 67 CO -0.07 0.02 0.86 -0.75 0.23 0.00 0.00 176.35 176.64 1nlq s LYS 68 N -3.37 0.41 0.13 1.70 2.20 -0.21 -0.41 119.74 120.19 1nlq s LYS 68 Ca 0.27 1.01 -0.33 0.00 -0.36 0.00 0.00 55.97 56.56 1nlq s LYS 68 Cb -0.05 0.59 -0.13 0.00 -1.51 0.00 0.00 37.83 36.73 1nlq s LYS 68 CO 0.13 -0.14 1.67 0.00 -0.36 0.00 0.00 175.35 176.65 1nlq n ALA 69 N 5.10 1.65 0.00 3.13 0.00 -1.26 -0.80 120.51 128.32 1nlq n ALA 69 Ca -0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1nlq n ALA 69 Cb 0.51 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 3.72 2.55 1.48 0.00 0.00 -1.26 -2.01 105.19 109.67 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 -3.76 1.61 2.13 0.02 -5.06 120.64 113.89 1nlq n GLU 71 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1nlq n GLU 71 Cb 0.00 -0.27 -0.16 0.00 0.27 0.00 0.00 31.44 31.28 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 0.64 -0.08 6.31 2.01 -0.08 -4.97 115.64 117.46 1nlq s THR 72 Ca 0.00 -0.64 0.14 0.00 0.31 0.00 0.00 61.69 61.50 1nlq s THR 72 Cb 0.00 -1.12 -0.11 0.00 0.01 0.00 0.00 72.50 71.28 1nlq s THR 72 CO 0.00 -0.21 1.02 -0.09 -0.69 0.00 0.00 174.62 174.66 1nlq h ARG 73 N 8.21 0.00 -2.78 4.92 9.65 -1.95 -0.54 114.38 131.90 1nlq h ARG 73 Ca -0.16 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1nlq h ARG 73 Cb 1.11 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 29.56 1nlq h ARG 73 CO 0.35 0.47 0.24 0.00 2.80 0.00 0.00 179.97 183.83 1nlq s ALA 74 N -2.85 -1.65 0.11 2.80 0.00 -1.26 -0.98 121.76 117.93 1nlq s ALA 74 Ca -0.01 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.67 1nlq s ALA 74 Cb 0.08 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1nlq s ALA 74 CO 0.80 -0.70 -0.13 0.14 0.00 0.00 0.00 175.76 175.87 1nlq s VAL 75 N -3.30 1.16 -0.61 0.00 -7.23 -0.62 -5.01 120.40 104.79 1nlq s VAL 75 Ca -0.00 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1nlq s VAL 75 Cb -0.01 -1.41 0.17 0.00 0.56 0.00 0.00 36.38 35.70 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 -2.35 3.79 0.15 4.85 0.01 -1.26 -1.49 114.94 118.65 1nlq s ASN 76 Ca 0.06 -3.61 -0.17 0.00 -0.71 0.00 0.00 52.86 48.44 1nlq s ASN 76 Cb -0.05 -1.27 0.06 0.00 0.41 0.00 0.00 41.25 40.40 1nlq s ASN 76 CO 0.02 -0.11 1.73 -0.65 -1.51 0.00 0.00 177.10 176.58 1nlq h PRO 77 N 5.49 0.19 -6.09 -0.60 0.11 -1.77 -3.47 132.00 125.86 1nlq h PRO 77 Ca 0.18 -0.01 -0.43 0.00 0.11 0.00 0.00 66.00 65.84 1nlq h PRO 77 Cb 0.80 -0.04 0.04 0.00 0.11 0.00 0.00 31.00 31.91 1nlq h PRO 77 CO 0.61 0.13 -0.75 -3.47 -0.21 0.00 0.00 178.00 174.31 1nlq n ASP 78 N -5.08 -4.47 -4.87 -2.05 2.03 -0.18 -4.99 116.55 96.94 1nlq n ASP 78 Ca 0.01 -0.71 -0.22 0.00 0.52 0.00 0.00 54.79 54.40 1nlq n ASP 78 Cb 0.15 -4.33 -0.04 0.00 -0.72 0.00 0.00 41.12 36.18 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 -3.37 4.61 0.05 5.18 -7.23 -0.96 -4.91 120.40 113.77 1nlq s VAL 79 Ca 0.49 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1nlq s VAL 79 Cb -0.23 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 1nlq s VAL 79 CO 0.79 -0.33 -0.07 -1.83 -0.31 0.00 0.00 175.10 173.35 1nlq s GLU 80 N -3.90 0.56 -0.27 4.82 -1.05 -1.26 -0.41 118.70 117.20 1nlq s GLU 80 Ca 0.34 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 54.32 1nlq s GLU 80 Cb -0.08 -0.22 0.07 0.00 -0.44 0.00 0.00 34.13 33.46 1nlq s GLU 80 CO 0.26 0.02 -0.04 -0.06 0.95 0.00 0.00 175.26 176.40 1nlq s PHE 81 N -1.86 2.97 -0.12 4.83 0.40 0.03 -4.97 117.98 119.25 1nlq s PHE 81 Ca -0.06 -2.24 -0.18 0.00 -0.60 0.00 0.00 56.93 53.84 1nlq s PHE 81 Cb -0.07 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1nlq s PHE 81 CO -0.01 -0.86 0.48 -0.47 0.70 0.00 0.00 175.22 175.06 1nlq s TYR 82 N 1.19 3.50 -1.30 0.36 5.04 -1.26 -1.00 117.35 123.89 1nlq s TYR 82 Ca -0.02 0.89 -0.24 0.00 -2.44 0.00 0.00 57.07 55.26 1nlq s TYR 82 Cb -0.19 -2.56 0.03 0.00 0.35 0.00 0.00 41.96 39.59 1nlq s TYR 82 CO -0.08 0.15 0.51 0.39 -1.34 0.00 0.00 175.55 175.19 1nlq n GLU 83 N 3.75 -0.60 -3.83 4.97 1.02 0.22 -4.95 120.64 121.21 1nlq n GLU 83 Ca -0.07 0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 1nlq n GLU 83 Cb 0.52 -2.96 -0.10 0.00 -0.02 0.00 0.00 31.44 28.88 1nlq n GLU 83 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1nlq s SER 84 N -3.77 -0.07 0.18 1.62 0.01 -1.26 -5.07 113.70 105.33 1nlq s SER 84 Ca 0.35 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.35 1nlq s SER 84 Cb -0.19 0.28 -0.08 0.00 0.21 0.00 0.00 66.02 66.24 1nlq s SER 84 CO 0.97 -0.31 0.80 -0.54 0.41 0.00 0.00 173.24 174.57 1nlq s LYS 85 N -1.02 4.62 -0.04 12.44 3.01 -1.26 -4.83 119.74 132.65 1nlq s LYS 85 Ca -0.11 1.21 -0.03 0.00 -1.01 0.00 0.00 55.97 56.04 1nlq s LYS 85 Cb -0.06 -3.27 0.02 0.00 -1.01 0.00 0.00 37.83 33.51 1nlq s LYS 85 CO 0.02 0.56 0.09 0.08 0.51 0.00 0.00 175.35 176.61 1nlq s VAL 86 N -1.13 -0.02 -0.06 3.17 1.01 -0.20 -4.51 120.40 118.67 1nlq s VAL 86 Ca 0.37 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1nlq s VAL 86 Cb -0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1nlq s VAL 86 CO 0.27 0.03 -0.24 -0.89 0.00 0.00 0.00 175.10 174.27 1nlq s THR 87 N 0.39 2.12 -0.13 3.92 2.01 -0.81 0.37 115.64 123.53 1nlq s THR 87 Ca -0.03 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1nlq s THR 87 Cb -0.04 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1nlq s THR 87 CO -0.02 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.99 1nlq s PHE 88 N -0.11 2.79 0.00 4.92 0.40 -0.03 -0.85 117.98 125.12 1nlq s PHE 88 Ca -0.05 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.63 1nlq s PHE 88 Cb -0.14 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1nlq s PHE 88 CO 0.04 -0.22 -0.07 0.21 0.70 0.00 0.00 175.22 175.88 1nlq s LYS 89 N 0.34 0.56 -0.68 0.44 2.20 -0.09 -1.56 119.74 120.95 1nlq s LYS 89 Ca -0.11 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 54.95 1nlq s LYS 89 Cb -0.16 -0.52 0.08 0.00 -1.51 0.00 0.00 37.83 35.72 1nlq s LYS 89 CO 0.06 0.14 0.97 -1.17 -0.36 0.00 0.00 175.35 174.99 1nlq s LEU 90 N -0.38 4.49 0.02 5.43 2.96 0.12 -0.08 118.68 131.23 1nlq s LEU 90 Ca 0.01 -1.12 0.25 0.00 -0.22 0.00 0.00 54.13 53.05 1nlq s LEU 90 Cb -0.04 -2.41 0.48 0.00 0.50 0.00 0.00 46.19 44.72 1nlq s LEU 90 CO -0.00 -1.39 1.40 2.30 -1.32 0.00 0.00 176.35 177.33 1nlq n ILE 91 N 5.88 0.06 -3.74 6.68 -5.35 -0.51 -4.85 119.36 117.53 1nlq n ILE 91 Ca -0.01 -0.05 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1nlq n ILE 91 Cb 0.46 0.18 -0.12 0.00 -1.74 0.00 0.00 39.64 38.41 1nlq n ILE 91 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1nlq s LYS 92 N -3.03 0.28 0.00 6.28 1.02 -1.22 -4.96 119.74 118.10 1nlq s LYS 92 Ca 0.10 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1nlq s LYS 92 Cb 0.17 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1nlq s LYS 92 CO 0.70 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 1nlq n GLY 93 N 3.81 1.66 0.22 -3.33 0.00 -1.20 -1.17 105.19 105.18 1nlq n GLY 93 Ca -0.21 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.00 1.21 0.00 1.61 7.64 -1.26 -4.61 113.62 118.21 1nlq n SER 94 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1nlq n SER 94 Cb 0.00 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.11 0.08 3.81 0.23 0.00 -1.26 -1.84 105.19 107.32 1nlq n GLY 95 Ca 0.05 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 3.39 -0.02 1.61 0.04 -1.26 -4.10 135.00 134.65 1nlq s PRO 96 Ca 0.00 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.27 1nlq s PRO 96 Cb 0.00 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1nlq s PRO 96 CO 0.00 -0.75 -0.14 0.08 0.04 0.00 0.00 177.00 176.23 1nlq s VAL 97 N -2.45 1.16 -0.12 -0.36 1.01 -0.28 -0.56 120.40 118.80 1nlq s VAL 97 Ca 0.63 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1nlq s VAL 97 Cb -0.16 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1nlq s VAL 97 CO 0.36 0.34 -0.10 -0.31 0.00 0.00 0.00 175.10 175.39 1nlq s TYR 98 N -0.12 2.88 -0.20 5.22 1.51 0.96 -0.80 117.35 126.81 1nlq s TYR 98 Ca 0.01 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 1nlq s TYR 98 Cb -0.08 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1nlq s TYR 98 CO 0.00 -0.06 -0.01 0.42 -1.11 0.00 0.00 175.55 174.80 1nlq s ILE 99 N 0.12 3.88 -0.01 2.71 1.01 -0.18 -0.48 121.20 128.25 1nlq s ILE 99 Ca -0.04 -0.34 0.08 0.00 0.00 0.00 0.00 60.65 60.35 1nlq s ILE 99 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1nlq s ILE 99 CO 0.04 0.44 -0.25 -1.00 0.00 0.00 0.00 174.94 174.17 1nlq s HIS 100 N 0.96 2.22 0.00 3.97 3.76 0.11 -1.90 115.29 124.41 1nlq s HIS 100 Ca 0.01 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 1nlq s HIS 100 Cb -0.14 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1nlq s HIS 100 CO 0.02 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1nlq n GLY 101 N 2.34 1.16 3.49 -2.22 0.00 0.13 -0.41 105.19 109.68 1nlq n GLY 101 Ca -0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1nlq n GLY 101 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nlq s HIS 102 N -0.98 -0.37 -0.07 1.61 -3.43 -0.76 0.10 115.29 111.40 1nlq s HIS 102 Ca 0.00 0.22 -0.01 0.00 -0.80 0.00 0.00 55.06 54.47 1nlq s HIS 102 Cb 0.00 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.66 1nlq s HIS 102 CO 0.00 -0.58 0.01 -0.80 -2.00 0.00 0.00 174.74 171.37 1nlq s ASN 103 N -2.51 5.24 -0.16 7.38 0.01 -0.06 -1.09 114.94 123.75 1nlq s ASN 103 Ca 0.05 0.12 -0.09 0.00 -0.71 0.00 0.00 52.86 52.23 1nlq s ASN 103 Cb -0.01 -1.46 0.06 0.00 0.41 0.00 0.00 41.25 40.25 1nlq s ASN 103 CO -0.09 0.36 0.39 -0.51 -1.51 0.00 0.00 177.10 175.74 1nlq s ILE 104 N -0.93 -0.07 -2.79 0.60 2.07 -0.85 -1.68 121.20 117.56 1nlq s ILE 104 Ca 0.15 0.11 0.22 0.00 -1.41 0.00 0.00 60.65 59.72 1nlq s ILE 104 Cb -0.11 -0.59 0.18 0.00 0.13 0.00 0.00 42.46 42.07 1nlq s ILE 104 CO 0.04 0.04 1.21 0.29 -1.91 0.00 0.00 174.94 174.61