#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwo s GLU 2 N 0.00 3.17 -0.40 0.00 8.01 -1.26 -4.89 118.70 123.33 1nwo s GLU 2 Ca 0.00 0.67 0.05 0.00 0.01 0.00 0.00 54.97 55.69 1nwo s GLU 2 Cb 0.00 -4.19 0.45 0.00 -4.31 0.00 0.00 34.13 26.09 1nwo s GLU 2 CO 0.00 -2.08 1.41 0.00 0.01 0.00 0.00 175.26 174.60 1nwo s LYS 4 N -3.66 0.94 0.03 0.00 2.20 -1.26 -1.81 119.74 116.18 1nwo s LYS 4 Ca 0.54 0.67 0.01 0.00 -0.36 0.00 0.00 55.97 56.84 1nwo s LYS 4 Cb 0.43 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 37.18 1nwo s LYS 4 CO 0.01 -0.20 -0.06 0.54 -0.36 0.00 0.00 175.35 175.28 1nwo s VAL 5 N -0.32 0.36 -0.15 4.02 0.11 -0.38 -4.96 120.40 119.08 1nwo s VAL 5 Ca -0.05 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1nwo s VAL 5 Cb -0.03 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1nwo s VAL 5 CO 0.05 -0.40 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.38 1nwo s THR 6 N -1.35 2.82 -0.13 5.04 2.01 -1.26 -0.66 115.64 122.12 1nwo s THR 6 Ca -0.12 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1nwo s THR 6 Cb -0.10 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 1nwo s THR 6 CO -0.00 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 1nwo s VAL 7 N 0.66 2.53 0.10 3.82 1.01 0.52 -4.96 120.40 124.08 1nwo s VAL 7 Ca -0.07 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1nwo s VAL 7 Cb -0.16 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 1nwo s VAL 7 CO 0.02 0.54 0.46 -0.62 0.00 0.00 0.00 175.10 175.50 1nwo s ASP 8 N 0.49 6.73 0.04 3.32 2.15 -1.26 -1.04 116.67 127.09 1nwo s ASP 8 Ca -0.12 0.92 0.07 0.00 0.43 0.00 0.00 52.55 53.85 1nwo s ASP 8 Cb -0.16 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1nwo s ASP 8 CO 0.05 0.15 -0.19 -0.94 -0.17 0.00 0.00 175.17 174.07 1nwo s SER 9 N -1.70 2.26 0.47 -0.34 1.04 -0.42 -1.05 113.70 113.95 1nwo s SER 9 Ca 0.34 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1nwo s SER 9 Cb -0.15 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 1nwo s SER 9 CO 0.18 0.14 0.08 0.42 0.98 0.00 0.00 173.24 175.04 1nwo s THR 10 N -0.77 1.67 -1.23 2.02 -4.23 -0.25 -1.90 115.64 110.95 1nwo s THR 10 Ca 0.06 -1.89 0.25 0.00 -1.18 0.00 0.00 61.69 58.94 1nwo s THR 10 Cb -0.08 -2.56 0.34 0.00 1.34 0.00 0.00 72.50 71.53 1nwo s THR 10 CO 0.01 0.00 1.84 0.47 -0.54 0.00 0.00 174.62 176.40 1nwo n ASP 11 N -1.23 0.00 -1.68 3.99 9.92 -1.26 -2.80 116.55 123.49 1nwo n ASP 11 Ca -0.10 0.19 0.02 0.00 -0.53 0.00 0.00 54.79 54.37 1nwo n ASP 11 Cb 0.66 -0.39 0.33 0.00 -0.64 0.00 0.00 41.12 41.08 1nwo n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nwo n GLN 12 N -1.39 3.87 -3.37 -1.24 3.00 -1.26 -4.97 117.38 112.02 1nwo n GLN 12 Ca 0.09 -3.08 -0.17 0.00 -0.01 0.00 0.00 57.00 53.83 1nwo n GLN 12 Cb 0.25 -2.14 0.07 0.00 0.00 0.00 0.00 30.24 28.42 1nwo n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1nwo n MET 13 N -0.02 -3.54 -3.80 -1.09 1.56 -1.12 -5.02 117.12 104.09 1nwo n MET 13 Ca 0.32 0.81 -0.13 0.00 -0.27 0.00 0.00 57.70 58.43 1nwo n MET 13 Cb 1.20 -5.66 -0.09 0.00 2.15 0.00 0.00 33.22 30.82 1nwo n MET 13 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1nwo s SER 14 N -3.73 -0.12 0.36 6.12 1.04 -1.26 -4.57 113.70 111.53 1nwo s SER 14 Ca 0.30 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1nwo s SER 14 Cb -0.05 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 1nwo s SER 14 CO 0.75 -0.41 0.66 -0.36 0.98 0.00 0.00 173.24 174.87 1nwo s PHE 15 N -1.29 3.49 -0.39 5.02 0.08 -1.26 -1.10 117.98 122.54 1nwo s PHE 15 Ca -0.13 0.79 0.08 0.00 0.12 0.00 0.00 56.93 57.78 1nwo s PHE 15 Cb -0.06 -2.24 0.58 0.00 -0.57 0.00 0.00 43.02 40.74 1nwo s PHE 15 CO 0.03 0.01 1.57 0.27 -0.10 0.00 0.00 175.22 177.00 1nwo n ASN 16 N -1.28 4.21 -3.69 1.36 6.94 -0.21 -4.86 115.26 117.73 1nwo n ASN 16 Ca -0.00 -2.94 -0.13 0.00 -0.02 0.00 0.00 54.58 51.49 1nwo n ASN 16 Cb 0.54 -0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 1nwo n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nwo s THR 17 N -2.44 0.06 -0.63 5.53 -1.32 -1.26 -4.93 115.64 110.65 1nwo s THR 17 Ca 0.43 -0.48 0.14 0.00 -1.21 0.00 0.00 61.69 60.57 1nwo s THR 17 Cb 0.34 -0.88 -0.15 0.00 -1.51 0.00 0.00 72.50 70.30 1nwo s THR 17 CO 0.11 -0.26 0.57 0.29 -2.21 0.00 0.00 174.62 173.12 1nwo n LYS 18 N 0.70 2.43 -3.78 7.08 5.02 -1.26 -4.86 118.16 123.49 1nwo n LYS 18 Ca -0.19 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.97 1nwo n LYS 18 Cb 0.59 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.32 1nwo n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nwo s ASP 19 N -2.33 -0.21 -0.28 4.39 2.15 -1.26 -1.02 116.67 118.12 1nwo s ASP 19 Ca 0.05 0.42 -0.05 0.00 0.43 0.00 0.00 52.55 53.39 1nwo s ASP 19 Cb 0.10 0.37 0.01 0.00 -0.30 0.00 0.00 42.92 43.11 1nwo s ASP 19 CO 0.56 -0.11 0.04 -0.63 -0.17 0.00 0.00 175.17 174.87 1nwo s ILE 20 N 0.57 3.69 -0.25 4.11 1.01 0.42 -4.95 121.20 125.79 1nwo s ILE 20 Ca -0.04 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.68 1nwo s ILE 20 Cb -0.05 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1nwo s ILE 20 CO -0.03 0.11 0.36 0.00 0.00 0.00 0.00 174.94 175.38 1nwo s ALA 21 N 1.45 3.57 -0.33 9.38 0.00 -1.26 0.04 121.76 134.60 1nwo s ALA 21 Ca 0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 1nwo s ALA 21 Cb -0.17 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.31 1nwo s ALA 21 CO 0.01 -0.54 0.13 0.42 0.00 0.00 0.00 175.76 175.78 1nwo s ILE 22 N 1.82 4.13 0.13 0.00 1.01 0.18 -4.93 121.20 123.55 1nwo s ILE 22 Ca 0.15 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1nwo s ILE 22 Cb -0.15 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.97 1nwo s ILE 22 CO 0.09 -0.10 1.50 -0.62 0.00 0.00 0.00 174.94 175.81 1nwo s ASP 23 N 1.49 6.69 0.65 3.58 -1.08 -1.26 -0.09 116.67 126.64 1nwo s ASP 23 Ca 0.01 2.48 0.42 0.00 -0.52 0.00 0.00 52.55 54.94 1nwo s ASP 23 Cb -0.19 -2.59 2.25 0.00 -1.46 0.00 0.00 42.92 40.94 1nwo s ASP 23 CO 0.04 -0.76 2.32 0.11 0.52 0.00 0.00 175.17 177.40 1nwo h LYS 24 N 6.95 0.00 -0.17 4.34 1.57 -1.70 -1.88 116.57 125.69 1nwo h LYS 24 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1nwo h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1nwo h LYS 24 CO 0.90 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.65 1nwo n SER 25 N -3.15 0.17 -4.61 0.86 3.41 -1.26 -4.64 113.62 104.40 1nwo n SER 25 Ca -0.03 -1.64 -0.37 0.00 -0.26 0.00 0.00 58.87 56.58 1nwo n SER 25 Cb 0.10 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1nwo n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwo h LYS 27 N 7.89 0.04 -3.75 0.00 2.10 -1.90 -3.40 116.57 117.54 1nwo h LYS 27 Ca -0.37 -0.02 -0.24 0.00 -2.00 0.00 0.00 60.65 58.02 1nwo h LYS 27 Cb 1.18 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 32.23 1nwo h LYS 27 CO 0.61 0.60 -0.72 0.99 -2.00 0.00 0.00 179.45 178.93 1nwo s THR 28 N -3.72 0.02 -0.03 0.07 2.01 -1.26 -1.41 115.64 111.32 1nwo s THR 28 Ca -0.02 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1nwo s THR 28 Cb 0.13 -0.04 -0.00 0.00 0.01 0.00 0.00 72.50 72.60 1nwo s THR 28 CO 0.76 0.02 -0.14 0.12 -0.69 0.00 0.00 174.62 174.68 1nwo s PHE 29 N 0.10 1.41 -0.17 4.92 5.36 -0.36 -4.83 117.98 124.40 1nwo s PHE 29 Ca -0.01 -0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 1nwo s PHE 29 Cb -0.01 -0.95 -0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1nwo s PHE 29 CO -0.00 -0.11 -0.09 0.99 -1.46 0.00 0.00 175.22 174.55 1nwo s THR 30 N -0.03 3.21 -0.24 0.12 2.01 -0.75 -1.50 115.64 118.47 1nwo s THR 30 Ca -0.01 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 1nwo s THR 30 Cb -0.09 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1nwo s THR 30 CO 0.01 0.48 0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 1nwo s VAL 31 N 0.85 4.25 -0.17 3.82 1.01 -0.28 -1.25 120.40 128.63 1nwo s VAL 31 Ca -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 1nwo s VAL 31 Cb -0.15 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1nwo s VAL 31 CO 0.01 0.36 0.12 -0.70 0.00 0.00 0.00 175.10 174.89 1nwo s GLU 32 N 1.46 3.89 -0.14 2.72 2.12 0.16 -1.36 118.70 127.56 1nwo s GLU 32 Ca 0.06 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.17 1nwo s GLU 32 Cb -0.15 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1nwo s GLU 32 CO 0.03 0.46 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.90 1nwo s LEU 33 N -0.11 2.64 0.31 2.70 2.96 0.11 -0.35 118.68 126.94 1nwo s LEU 33 Ca 0.10 -0.38 0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1nwo s LEU 33 Cb -0.11 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 1nwo s LEU 33 CO 0.00 0.13 0.01 0.42 -1.32 0.00 0.00 176.35 175.59 1nwo s THR 34 N 0.54 2.89 -0.20 3.68 -4.23 -0.21 -1.47 115.64 116.64 1nwo s THR 34 Ca -0.09 -1.96 -0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1nwo s THR 34 Cb -0.16 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1nwo s THR 34 CO 0.04 -0.26 -0.00 -2.28 -0.54 0.00 0.00 174.62 171.57 1nwo s HIS 35 N -2.45 1.49 0.62 3.99 2.46 -1.14 -1.31 115.29 118.95 1nwo s HIS 35 Ca 0.34 -1.11 -0.09 0.00 0.47 0.00 0.00 55.06 54.67 1nwo s HIS 35 Cb -0.03 -1.21 0.14 0.00 -0.13 0.00 0.00 32.58 31.35 1nwo s HIS 35 CO 0.20 -0.65 0.85 -1.13 -2.47 0.00 0.00 174.74 171.54 1nwo n SER 36 N 4.92 0.24 0.00 9.88 3.41 -0.80 -1.62 113.62 129.66 1nwo n SER 36 Ca -0.10 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1nwo n SER 36 Cb 0.46 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1nwo n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwo n GLY 37 N -0.68 -0.52 0.00 5.00 0.00 -1.26 -4.33 105.19 103.40 1nwo n GLY 37 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1nwo n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwo n SER 38 N 0.78 0.00 -4.73 1.61 3.41 -1.26 -4.61 113.62 108.82 1nwo n SER 38 Ca 0.00 -0.80 -0.41 0.00 -0.26 0.00 0.00 58.87 57.39 1nwo n SER 38 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1nwo n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nwo s LEU 39 N -0.00 4.46 0.78 1.04 1.02 -1.26 -4.77 118.68 119.94 1nwo s LEU 39 Ca 0.00 1.88 -0.12 0.00 0.02 0.00 0.00 54.13 55.91 1nwo s LEU 39 Cb 0.00 -3.59 0.06 0.00 0.02 0.00 0.00 46.19 42.68 1nwo s LEU 39 CO 0.00 -0.19 1.14 -2.16 0.02 0.00 0.00 176.35 175.16 1nwo s PRO 40 N 0.21 2.26 0.50 1.29 0.04 -1.26 -1.13 135.00 136.91 1nwo s PRO 40 Ca 0.50 0.28 0.26 0.00 0.04 0.00 0.00 61.00 62.08 1nwo s PRO 40 Cb -0.25 -1.97 1.33 0.00 0.04 0.00 0.00 34.50 33.65 1nwo s PRO 40 CO 0.31 -1.42 2.02 1.57 0.04 0.00 0.00 177.00 179.52 1nwo h LYS 41 N -0.93 0.00 0.00 4.56 2.10 -1.83 -1.09 116.57 119.38 1nwo h LYS 41 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1nwo h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1nwo h LYS 41 CO 0.65 0.15 0.00 0.27 -2.00 0.00 0.00 179.45 178.51 1nwo n ASN 42 N -3.60 0.58 -0.06 7.07 6.94 -1.26 -1.47 115.26 123.46 1nwo n ASN 42 Ca -0.01 0.56 -0.08 0.00 -0.02 0.00 0.00 54.58 55.02 1nwo n ASN 42 Cb 0.28 -0.71 -0.07 0.00 -2.36 0.00 0.00 39.78 36.92 1nwo n ASN 42 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1nwo n VAL 43 N -2.05 0.76 -2.93 3.53 0.24 -0.73 -4.82 118.33 112.33 1nwo n VAL 43 Ca 0.06 -0.34 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 1nwo n VAL 43 Cb 0.40 -0.89 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 1nwo n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1nwo n MET 44 N -2.73 1.05 -2.00 7.34 0.00 -0.49 -5.03 117.12 115.26 1nwo n MET 44 Ca -0.22 -3.19 -0.32 0.00 -0.00 0.00 0.00 57.70 53.98 1nwo n MET 44 Cb 0.78 -1.41 0.01 0.00 0.00 0.00 0.00 33.22 32.59 1nwo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nwo s GLY 45 N -2.60 1.90 -0.01 -5.12 0.00 -0.54 -4.68 107.32 96.27 1nwo s GLY 45 Ca 0.33 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 1nwo s GLY 45 CO -0.03 0.45 0.05 0.30 0.00 0.00 0.00 173.10 173.87 1nwo s HIS 46 N -2.80 -0.02 0.43 1.90 3.76 -0.85 -4.75 115.29 112.96 1nwo s HIS 46 Ca 0.59 0.06 0.03 0.00 -0.15 0.00 0.00 55.06 55.59 1nwo s HIS 46 Cb -0.13 -0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.53 1nwo s HIS 46 CO 0.43 -0.06 0.07 0.54 -0.85 0.00 0.00 174.74 174.87 1nwo s ASN 47 N -0.23 3.27 -0.10 1.40 2.20 -1.26 -0.17 114.94 120.06 1nwo s ASN 47 Ca -0.03 -1.61 -0.01 0.00 -0.94 0.00 0.00 52.86 50.28 1nwo s ASN 47 Cb -0.02 0.38 0.03 0.00 -2.00 0.00 0.00 41.25 39.63 1nwo s ASN 47 CO 0.00 -0.83 -0.05 -0.22 -2.94 0.00 0.00 177.10 173.06 1nwo s LEU 48 N -3.69 1.02 -0.05 3.54 0.20 -1.26 -4.13 118.68 114.30 1nwo s LEU 48 Ca 0.20 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 54.84 1nwo s LEU 48 Cb 0.03 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 45.08 1nwo s LEU 48 CO 0.11 -0.13 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.15 1nwo s VAL 49 N 1.72 2.56 -0.13 1.68 1.01 0.87 -1.70 120.40 126.41 1nwo s VAL 49 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1nwo s VAL 49 Cb -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1nwo s VAL 49 CO -0.06 0.58 -0.15 -0.63 0.00 0.00 0.00 175.10 174.83 1nwo s ILE 50 N -0.45 2.84 0.35 2.22 1.01 -0.09 -1.13 121.20 125.95 1nwo s ILE 50 Ca 0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 1nwo s ILE 50 Cb -0.12 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.19 1nwo s ILE 50 CO 0.01 0.53 0.58 -0.94 0.00 0.00 0.00 174.94 175.12 1nwo s SER 51 N 0.47 0.55 0.42 3.58 1.04 -1.00 -0.01 113.70 118.75 1nwo s SER 51 Ca -0.11 -1.34 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 1nwo s SER 51 Cb -0.16 0.73 -0.10 0.00 0.10 0.00 0.00 66.02 66.59 1nwo s SER 51 CO 0.05 -1.43 1.32 0.29 0.98 0.00 0.00 173.24 174.45 1nwo n LYS 52 N -0.54 2.04 -0.37 4.02 5.02 -1.26 -1.04 118.16 126.03 1nwo n LYS 52 Ca -0.02 0.73 0.05 0.00 -2.02 0.00 0.00 58.31 57.04 1nwo n LYS 52 Cb 0.61 -2.45 0.20 0.00 -0.02 0.00 0.00 35.03 33.37 1nwo n LYS 52 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1nwo h GLU 53 N 2.18 1.06 0.00 1.97 4.81 -1.59 0.25 114.58 123.27 1nwo h GLU 53 Ca -0.49 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 1nwo h GLU 53 Cb 1.29 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 1nwo h GLU 53 CO 0.60 0.70 -0.06 0.00 -0.73 0.00 0.00 179.01 179.53 1nwo h ALA 54 N 1.49 1.27 -0.01 2.92 0.00 -1.90 -2.91 119.26 120.12 1nwo h ALA 54 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nwo h ALA 54 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nwo h ALA 54 CO -0.22 0.08 -0.48 -0.25 0.00 0.00 0.00 179.25 178.38 1nwo n ASP 55 N -3.55 1.22 0.24 0.00 8.00 0.87 -4.54 116.55 118.79 1nwo n ASP 55 Ca -0.02 -0.98 -0.15 0.00 0.71 0.00 0.00 54.79 54.35 1nwo n ASP 55 Cb 0.18 0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 41.59 1nwo n ASP 55 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nwo h MET 56 N 1.16 -0.62 -0.63 -1.24 2.86 -1.38 -1.67 114.93 113.42 1nwo h MET 56 Ca 0.00 0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 1nwo h MET 56 Cb 0.58 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1nwo h MET 56 CO 0.00 -0.41 0.04 0.37 1.06 0.00 0.00 176.91 177.97 1nwo h GLN 57 N -0.64 1.07 -0.92 1.72 5.75 -1.82 -1.30 115.11 118.98 1nwo h GLN 57 Ca -0.04 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1nwo h GLN 57 Cb 0.54 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 1nwo h GLN 57 CO 0.02 1.02 0.53 -1.35 -2.65 0.00 0.00 178.83 176.40 1nwo h PRO 58 N 0.99 1.26 -0.34 -2.39 0.11 -1.79 -0.12 132.00 129.72 1nwo h PRO 58 Ca 0.18 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1nwo h PRO 58 Cb 0.51 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1nwo h PRO 58 CO 0.02 0.90 0.12 0.82 -0.21 0.00 0.00 178.00 179.65 1nwo h ILE 59 N 1.27 1.19 -0.26 4.15 2.04 -0.96 -1.54 117.51 123.40 1nwo h ILE 59 Ca 0.33 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1nwo h ILE 59 Cb -0.02 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1nwo h ILE 59 CO -0.06 0.21 -0.01 0.00 0.00 0.00 0.00 178.15 178.29 1nwo h ALA 60 N 0.97 0.22 -0.90 1.87 0.00 -0.98 0.09 119.26 120.53 1nwo h ALA 60 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1nwo h ALA 60 Cb 0.21 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1nwo h ALA 60 CO -0.01 -0.43 0.53 1.15 0.00 0.00 0.00 179.25 180.49 1nwo h THR 61 N 0.06 1.25 0.00 0.00 2.02 -0.86 -1.59 112.91 113.80 1nwo h THR 61 Ca 0.12 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 1nwo h THR 61 Cb 0.17 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1nwo h THR 61 CO -0.22 0.27 -0.39 0.44 0.37 0.00 0.00 175.52 175.99 1nwo h ASP 62 N 1.24 0.00 1.26 4.18 3.32 -0.97 -3.00 116.42 122.45 1nwo h ASP 62 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 1nwo h ASP 62 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1nwo h ASP 62 CO -0.06 0.39 -0.15 1.23 -1.72 0.00 0.00 179.24 178.94 1nwo h GLY 63 N 2.04 0.00 -0.28 2.75 0.00 -0.02 -3.34 103.07 104.23 1nwo h GLY 63 Ca -0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.52 1nwo h GLY 63 CO 0.05 0.00 0.21 1.41 0.00 0.00 0.00 176.54 178.21 1nwo h LEU 64 N 0.00 0.00 -0.36 3.11 3.38 -1.27 -2.11 115.31 118.06 1nwo h LEU 64 Ca -0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1nwo h LEU 64 Cb 0.81 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1nwo h LEU 64 CO 0.02 -0.10 -0.47 -1.54 0.09 0.00 0.00 178.44 176.44 1nwo n SER 65 N -5.19 1.03 0.21 -0.43 3.41 -1.25 -3.95 113.62 107.45 1nwo n SER 65 Ca 0.18 -0.82 0.10 0.00 -0.26 0.00 0.00 58.87 58.07 1nwo n SER 65 Cb 0.57 0.34 0.31 0.00 -0.26 0.00 0.00 64.21 65.18 1nwo n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwo h ALA 66 N 3.42 0.93 -0.27 7.33 0.00 -1.55 -3.50 119.26 125.62 1nwo h ALA 66 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1nwo h ALA 66 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nwo h ALA 66 CO 0.00 0.25 -0.07 0.41 0.00 0.00 0.00 179.25 179.84 1nwo n GLY 67 N 0.65 -1.89 0.25 0.00 0.00 -1.24 -4.06 105.19 98.89 1nwo n GLY 67 Ca 0.02 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.70 1nwo n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwo h ILE 68 N -0.11 0.22 0.00 -0.61 2.10 -1.93 -1.62 117.51 115.56 1nwo h ILE 68 Ca -0.01 -0.82 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 1nwo h ILE 68 Cb 0.11 1.68 -0.00 0.00 -1.09 0.00 0.00 36.82 37.51 1nwo h ILE 68 CO 0.00 0.09 -0.08 0.44 -1.08 0.00 0.00 178.15 177.52 1nwo h ASP 69 N 0.00 0.00 -0.41 2.19 3.32 -2.02 -1.82 116.42 117.68 1nwo h ASP 69 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1nwo h ASP 69 Cb 0.67 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 1nwo h ASP 69 CO 0.01 0.08 0.05 0.29 -1.72 0.00 0.00 179.24 177.96 1nwo n LYS 70 N -3.17 2.57 -2.31 3.56 5.02 -0.92 -4.94 118.16 117.97 1nwo n LYS 70 Ca 0.01 -3.02 -0.21 0.00 -2.02 0.00 0.00 58.31 53.07 1nwo n LYS 70 Cb 0.41 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1nwo n LYS 70 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nwo n GLN 71 N -0.75 -1.67 -3.99 1.97 1.13 -0.68 -2.14 117.38 111.25 1nwo n GLN 71 Ca 0.31 1.03 -0.29 0.00 -1.94 0.00 0.00 57.00 56.12 1nwo n GLN 71 Cb 1.07 -5.67 -0.01 0.00 0.11 0.00 0.00 30.24 25.75 1nwo n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nwo n TYR 72 N -3.81 -1.83 -3.98 1.08 4.01 -0.66 -4.75 117.16 107.22 1nwo n TYR 72 Ca -0.24 0.80 -0.18 0.00 -0.16 0.00 0.00 57.90 58.12 1nwo n TYR 72 Cb 0.69 -3.64 -0.16 0.00 -0.31 0.00 0.00 39.34 35.91 1nwo n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nwo s LEU 73 N -7.08 1.19 0.01 7.72 2.01 -0.91 -4.36 118.68 117.26 1nwo s LEU 73 Ca 0.34 -0.05 -0.35 0.00 0.01 0.00 0.00 54.13 54.08 1nwo s LEU 73 Cb -0.18 -0.28 -0.13 0.00 0.01 0.00 0.00 46.19 45.61 1nwo s LEU 73 CO 0.88 -0.09 1.71 1.17 1.01 0.00 0.00 176.35 181.03 1nwo n LYS 74 N 4.13 2.02 -1.70 1.70 4.81 -1.26 -4.81 118.16 123.05 1nwo n LYS 74 Ca -0.26 0.73 -0.56 0.00 -0.87 0.00 0.00 58.31 57.35 1nwo n LYS 74 Cb 0.50 -2.52 -0.07 0.00 0.02 0.00 0.00 35.03 32.96 1nwo n LYS 74 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1nwo n ASP 75 N 4.95 2.51 -0.62 3.14 2.03 -1.26 -1.90 116.55 125.39 1nwo n ASP 75 Ca 0.20 1.03 -0.05 0.00 0.52 0.00 0.00 54.79 56.49 1nwo n ASP 75 Cb 0.27 -1.17 -0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1nwo n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwo n GLY 76 N 4.36 0.15 3.63 0.27 0.00 -1.26 -4.95 105.19 107.38 1nwo n GLY 76 Ca 0.27 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1nwo n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwo s ASP 77 N -2.75 6.29 0.23 1.61 -1.08 -0.80 -4.86 116.67 115.30 1nwo s ASP 77 Ca 0.00 1.64 0.24 0.00 -0.52 0.00 0.00 52.55 53.92 1nwo s ASP 77 Cb 0.00 -2.53 0.92 0.00 -1.46 0.00 0.00 42.92 39.85 1nwo s ASP 77 CO 0.00 -1.33 1.74 0.00 0.52 0.00 0.00 175.17 176.10 1nwo n ALA 78 N 8.75 1.91 0.34 3.66 0.00 -1.26 -2.25 120.51 131.66 1nwo n ALA 78 Ca 0.20 0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1nwo n ALA 78 Cb 0.45 -1.42 0.51 0.00 0.00 0.00 0.00 19.45 19.00 1nwo n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwo h ARG 79 N 0.00 0.00 -5.91 0.00 3.08 -1.99 -3.43 114.38 106.13 1nwo h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1nwo h ARG 79 Cb 0.50 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 1nwo h ARG 79 CO 0.00 0.00 0.60 0.08 -1.07 0.00 0.00 179.97 179.58 1nwo s VAL 80 N -3.43 4.77 -0.02 2.04 1.01 -0.95 -4.43 120.40 119.38 1nwo s VAL 80 Ca 0.04 1.74 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 1nwo s VAL 80 Cb 0.09 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 32.02 1nwo s VAL 80 CO 0.53 -0.12 1.04 0.40 0.00 0.00 0.00 175.10 176.95 1nwo h ILE 81 N 5.45 1.48 -1.96 2.22 1.08 -0.72 -3.48 117.51 121.57 1nwo h ILE 81 Ca -0.21 -2.12 0.06 0.00 -0.39 0.00 0.00 64.86 62.19 1nwo h ILE 81 Cb 1.08 2.75 -0.19 0.00 -3.07 0.00 0.00 36.82 37.38 1nwo h ILE 81 CO 0.92 0.60 0.44 0.00 -0.69 0.00 0.00 178.15 179.42 1nwo s ALA 82 N -3.05 -1.85 0.02 1.87 0.00 -1.17 -5.00 121.76 112.58 1nwo s ALA 82 Ca -0.14 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1nwo s ALA 82 Cb 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1nwo s ALA 82 CO 0.80 -0.47 0.40 -3.38 0.00 0.00 0.00 175.76 173.11 1nwo s HIS 83 N -1.93 -0.26 0.49 0.00 -3.43 -1.26 -0.92 115.29 107.98 1nwo s HIS 83 Ca -0.01 0.31 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 1nwo s HIS 83 Cb -0.01 0.19 0.03 0.00 -1.43 0.00 0.00 32.58 31.36 1nwo s HIS 83 CO -0.01 -0.51 0.68 0.95 -2.00 0.00 0.00 174.74 173.85 1nwo s THR 84 N -1.98 2.77 0.93 -5.38 -4.23 -0.69 -4.77 115.64 102.29 1nwo s THR 84 Ca -0.08 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1nwo s THR 84 Cb -0.02 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 71.07 1nwo s THR 84 CO 0.01 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.64 1nwo s LYS 85 N -4.56 0.98 -0.10 3.99 1.02 -1.26 -4.56 119.74 115.25 1nwo s LYS 85 Ca 0.57 1.07 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 1nwo s LYS 85 Cb -0.10 -1.76 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1nwo s LYS 85 CO 0.36 -2.50 1.19 0.08 -0.92 0.00 0.00 175.35 173.56 1nwo s VAL 86 N -2.78 4.34 0.15 3.17 1.01 -1.26 -4.27 120.40 120.76 1nwo s VAL 86 Ca 0.65 1.65 0.11 0.00 0.00 0.00 0.00 61.98 64.38 1nwo s VAL 86 Cb -0.20 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1nwo s VAL 86 CO 0.58 -0.05 -0.23 0.27 0.00 0.00 0.00 175.10 175.67 1nwo s ILE 87 N 2.61 2.46 0.56 2.22 -4.36 0.76 -4.87 121.20 120.58 1nwo s ILE 87 Ca 0.54 -1.80 0.07 0.00 -0.26 0.00 0.00 60.65 59.20 1nwo s ILE 87 Cb -0.23 -2.14 0.07 0.00 1.25 0.00 0.00 42.46 41.42 1nwo s ILE 87 CO 0.18 0.01 0.59 0.61 0.24 0.00 0.00 174.94 176.57 1nwo n GLY 88 N 0.61 2.37 3.65 6.27 0.00 -1.26 -2.01 105.19 114.82 1nwo n GLY 88 Ca -0.15 -2.26 -0.46 0.00 0.00 0.00 0.00 46.02 43.14 1nwo n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwo n ALA 89 N -2.10 0.77 0.00 4.61 0.00 -0.28 -1.65 120.51 121.86 1nwo n ALA 89 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1nwo n ALA 89 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1nwo n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwo n GLY 90 N 2.41 3.28 3.95 0.00 0.00 -0.64 -4.92 105.19 109.27 1nwo n GLY 90 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1nwo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwo s GLU 91 N -0.60 3.15 0.04 1.61 2.02 -0.66 -4.94 118.70 119.32 1nwo s GLU 91 Ca 0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1nwo s GLU 91 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 1nwo s GLU 91 CO 0.00 -0.22 -0.03 0.15 0.02 0.00 0.00 175.26 175.18 1nwo s LYS 92 N -4.55 0.45 0.06 1.61 1.02 -1.26 -2.88 119.74 114.19 1nwo s LYS 92 Ca 0.47 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.43 1nwo s LYS 92 Cb -0.10 0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1nwo s LYS 92 CO 0.38 -0.07 0.34 0.34 -0.92 0.00 0.00 175.35 175.42 1nwo s ASP 93 N -2.10 -0.16 0.07 2.83 2.15 -0.54 -5.01 116.67 113.91 1nwo s ASP 93 Ca -0.06 -0.18 0.01 0.00 0.43 0.00 0.00 52.55 52.75 1nwo s ASP 93 Cb -0.02 0.39 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 1nwo s ASP 93 CO -0.05 -0.66 -0.06 -0.94 -0.17 0.00 0.00 175.17 173.29 1nwo s SER 94 N -2.18 0.89 -0.01 -0.34 1.04 -1.26 0.06 113.70 111.89 1nwo s SER 94 Ca -0.03 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.50 1nwo s SER 94 Cb -0.00 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1nwo s SER 94 CO -0.05 -0.44 -0.02 0.54 0.98 0.00 0.00 173.24 174.25 1nwo s VAL 95 N -3.21 0.20 -0.09 5.02 0.11 -0.46 -4.91 120.40 117.07 1nwo s VAL 95 Ca 0.06 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1nwo s VAL 95 Cb 0.03 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1nwo s VAL 95 CO -0.05 0.10 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.71 1nwo s THR 96 N 0.39 2.31 0.09 5.04 2.01 -1.26 -1.13 115.64 123.09 1nwo s THR 96 Ca -0.04 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1nwo s THR 96 Cb -0.06 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1nwo s THR 96 CO -0.01 0.56 0.07 0.72 -0.69 0.00 0.00 174.62 175.27 1nwo s PHE 97 N 0.07 0.48 -0.08 4.92 -0.71 -0.56 -4.96 117.98 117.15 1nwo s PHE 97 Ca -0.10 -0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 54.55 1nwo s PHE 97 Cb -0.15 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 1nwo s PHE 97 CO 0.06 -0.48 1.34 -0.51 -1.34 0.00 0.00 175.22 174.29 1nwo s ASP 98 N -2.93 6.91 0.56 1.98 1.01 -1.26 -1.22 116.67 121.71 1nwo s ASP 98 Ca 0.11 1.91 0.38 0.00 0.71 0.00 0.00 52.55 55.65 1nwo s ASP 98 Cb 0.07 -2.55 1.99 0.00 1.01 0.00 0.00 42.92 43.44 1nwo s ASP 98 CO -0.07 -0.73 2.15 0.58 0.21 0.00 0.00 175.17 177.31 1nwo h VAL 99 N 5.22 0.00 0.00 -1.27 2.07 -1.46 -1.36 116.25 119.45 1nwo h VAL 99 Ca -0.33 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1nwo h VAL 99 Cb 1.15 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1nwo h VAL 99 CO 0.93 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.29 1nwo h SER 100 N 0.00 0.00 0.98 0.57 4.64 -1.86 -2.31 113.55 115.57 1nwo h SER 100 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1nwo h SER 100 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1nwo h SER 100 CO 0.00 0.00 -0.34 0.11 -0.87 0.00 0.00 176.83 175.73 1nwo h LYS 101 N 0.00 0.00 -6.06 4.77 1.57 -1.63 -3.41 116.57 111.82 1nwo h LYS 101 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1nwo h LYS 101 Cb 0.18 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.39 1nwo h LYS 101 CO 0.00 0.34 0.90 -0.51 -0.57 0.00 0.00 179.45 179.61 1nwo s LEU 102 N -6.87 3.57 -0.09 2.94 1.43 -0.87 -4.97 118.68 113.82 1nwo s LEU 102 Ca 0.01 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.16 1nwo s LEU 102 Cb 0.10 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1nwo s LEU 102 CO 0.68 -1.70 1.57 0.00 0.23 0.00 0.00 176.35 177.12 1nwo s ALA 103 N 5.18 3.61 0.60 4.21 0.00 -1.26 -4.98 121.76 129.12 1nwo s ALA 103 Ca 0.31 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 1nwo s ALA 103 Cb -0.11 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1nwo s ALA 103 CO 0.13 -1.38 1.31 0.00 0.00 0.00 0.00 175.76 175.82 1nwo s ALA 104 N 3.99 2.56 0.00 0.00 0.00 -1.26 -2.57 121.76 124.48 1nwo s ALA 104 Ca 0.69 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1nwo s ALA 104 Cb -0.30 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1nwo s ALA 104 CO 0.26 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1nwo n GLY 105 N 0.80 0.76 3.62 0.00 0.00 -1.26 -5.06 105.19 104.05 1nwo n GLY 105 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1nwo n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nwo s GLU 106 N -0.47 2.22 -0.21 1.61 2.56 -1.06 -5.12 118.70 118.23 1nwo s GLU 106 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 54.97 53.69 1nwo s GLU 106 Cb 0.00 -2.25 -0.04 0.00 2.00 0.00 0.00 34.13 33.85 1nwo s GLU 106 CO 0.00 0.44 0.07 0.15 -0.56 0.00 0.00 175.26 175.36 1nwo s LYS 107 N -2.93 3.85 0.13 4.30 1.02 -1.26 -5.01 119.74 119.85 1nwo s LYS 107 Ca 0.26 -0.39 0.10 0.00 0.02 0.00 0.00 55.97 55.96 1nwo s LYS 107 Cb -0.09 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 1nwo s LYS 107 CO 0.17 0.07 -0.24 0.71 -0.92 0.00 0.00 175.35 175.14 1nwo s TYR 108 N 0.92 2.37 0.31 3.18 2.02 -1.26 -1.67 117.35 123.22 1nwo s TYR 108 Ca 0.04 -0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1nwo s TYR 108 Cb -0.14 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.11 1nwo s TYR 108 CO 0.03 0.37 0.10 0.20 -1.57 0.00 0.00 175.55 174.68 1nwo s GLY 109 N -2.15 2.02 0.16 0.71 0.00 -0.20 -1.95 107.32 105.91 1nwo s GLY 109 Ca 0.16 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 43.15 1nwo s GLY 109 CO 0.08 -1.69 -0.18 -0.11 0.00 0.00 0.00 173.10 171.20 1nwo s PHE 110 N -3.52 1.76 0.25 1.90 -0.71 -0.81 -2.38 117.98 114.46 1nwo s PHE 110 Ca 0.35 -0.48 -0.21 0.00 -1.04 0.00 0.00 56.93 55.55 1nwo s PHE 110 Cb 0.07 -0.88 0.03 0.00 -1.21 0.00 0.00 43.02 41.03 1nwo s PHE 110 CO 0.15 0.30 0.67 -0.59 -1.34 0.00 0.00 175.22 174.41 1nwo s PHE 111 N -2.08 -0.23 -0.16 3.49 -0.71 -0.29 -1.55 117.98 116.46 1nwo s PHE 111 Ca 0.15 -0.17 -0.08 0.00 -1.04 0.00 0.00 56.93 55.79 1nwo s PHE 111 Cb -0.05 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1nwo s PHE 111 CO 0.06 -1.13 0.11 0.00 -1.34 0.00 0.00 175.22 172.93 1nwo n SER 113 N 2.83 3.03 -4.71 0.00 3.41 -1.26 -3.45 113.62 113.47 1nwo n SER 113 Ca -0.18 -1.95 -0.43 0.00 -0.26 0.00 0.00 58.87 56.05 1nwo n SER 113 Cb 0.53 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1nwo n SER 113 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1nwo n PHE 114 N 1.28 2.64 -1.71 7.33 -0.00 -1.26 -4.77 117.46 120.97 1nwo n PHE 114 Ca 0.17 0.14 -0.60 0.00 -0.00 0.00 0.00 57.45 57.16 1nwo n PHE 114 Cb 0.57 -2.62 -0.08 0.00 -0.00 0.00 0.00 39.48 37.35 1nwo n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1nwo n PRO 115 N 3.46 0.77 0.00 -7.13 -0.02 -1.26 -1.10 135.00 129.71 1nwo n PRO 115 Ca 0.15 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1nwo n PRO 115 Cb 0.34 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1nwo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwo n GLY 116 N 3.92 2.53 0.19 -1.23 0.00 -1.26 -4.88 105.19 104.46 1nwo n GLY 116 Ca 0.27 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.35 1nwo n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nwo h HIS 117 N 0.00 0.00 -0.12 1.61 3.86 -1.38 -3.20 115.15 115.92 1nwo h HIS 117 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1nwo h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1nwo h HIS 117 CO 0.00 0.37 0.09 0.97 0.86 0.00 0.00 177.93 180.22 1nwo h ILE 118 N 0.00 0.79 0.00 2.45 2.10 -1.75 0.80 117.51 121.91 1nwo h ILE 118 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 1nwo h ILE 118 Cb 0.95 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1nwo h ILE 118 CO 0.05 0.00 -0.09 0.77 -1.08 0.00 0.00 178.15 177.80 1nwo h SER 119 N 0.00 0.00 0.00 2.19 4.64 -1.91 -2.93 113.55 115.54 1nwo h SER 119 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.28 1nwo h SER 119 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1nwo h SER 119 CO -0.00 0.09 -1.37 0.23 -0.87 0.00 0.00 176.83 174.91 1nwo n MET 120 N -3.69 3.06 -3.55 4.77 2.81 -0.74 -4.89 117.12 114.88 1nwo n MET 120 Ca -0.02 -0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 1nwo n MET 120 Cb 0.19 -1.14 -0.05 0.00 -0.71 0.00 0.00 33.22 31.52 1nwo n MET 120 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1nwo s MET 121 N -2.14 3.51 0.10 0.03 -1.94 0.20 -4.84 119.30 114.23 1nwo s MET 121 Ca -0.03 -3.21 -0.17 0.00 -1.71 0.00 0.00 55.69 50.58 1nwo s MET 121 Cb 0.02 -4.13 0.04 0.00 2.01 0.00 0.00 34.83 32.77 1nwo s MET 121 CO 0.22 -1.25 0.41 -1.59 -0.01 0.00 0.00 175.02 172.80 1nwo s LYS 122 N -1.22 1.03 0.00 2.03 -2.85 -1.26 -2.17 119.74 115.30 1nwo s LYS 122 Ca 0.28 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.66 1nwo s LYS 122 Cb -0.09 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1nwo s LYS 122 CO -0.11 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.36 1nwo n GLY 123 N -0.00 2.69 3.56 0.59 0.00 -0.59 -4.90 105.19 106.53 1nwo n GLY 123 Ca -0.17 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1nwo n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwo s THR 124 N -2.83 3.15 -0.09 2.61 -4.23 -0.19 -1.93 115.64 112.12 1nwo s THR 124 Ca 0.00 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1nwo s THR 124 Cb 0.00 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1nwo s THR 124 CO 0.00 -0.04 -0.11 0.68 -0.54 0.00 0.00 174.62 174.61 1nwo s VAL 125 N -1.53 3.29 -0.14 2.29 -7.23 -0.82 -0.44 120.40 115.82 1nwo s VAL 125 Ca 0.23 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.79 1nwo s VAL 125 Cb -0.09 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.52 1nwo s VAL 125 CO 0.14 0.56 -0.11 -0.89 -0.31 0.00 0.00 175.10 174.49 1nwo s THR 126 N -0.25 1.32 -0.14 5.32 2.01 0.11 -4.34 115.64 119.66 1nwo s THR 126 Ca 0.02 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 1nwo s THR 126 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1nwo s THR 126 CO 0.03 0.37 0.64 -0.22 -0.69 0.00 0.00 174.62 174.75 1nwo s LEU 127 N 1.58 4.22 0.00 4.42 2.96 -1.26 0.51 118.68 131.11 1nwo s LEU 127 Ca 0.04 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.91 1nwo s LEU 127 Cb -0.13 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1nwo s LEU 127 CO -0.09 -0.18 0.00 2.29 -1.32 0.00 0.00 176.35 177.04