#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwp s GLU 2 N 0.00 3.94 -0.22 0.00 8.01 -1.26 -4.97 118.70 124.20 1nwp s GLU 2 Ca 0.00 0.16 0.13 0.00 0.01 0.00 0.00 54.97 55.27 1nwp s GLU 2 Cb 0.00 -3.69 0.45 0.00 -4.31 0.00 0.00 34.13 26.57 1nwp s GLU 2 CO 0.00 -0.42 1.19 0.00 0.01 0.00 0.00 175.26 176.04 1nwp s LYS 4 N -3.05 0.55 -0.00 0.00 2.36 -1.26 -0.95 119.74 117.39 1nwp s LYS 4 Ca 0.41 0.01 -0.11 0.00 -2.55 0.00 0.00 55.97 53.74 1nwp s LYS 4 Cb 0.38 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 37.42 1nwp s LYS 4 CO -0.04 -0.13 0.21 0.54 1.55 0.00 0.00 175.35 177.49 1nwp s VAL 5 N -0.81 0.07 -0.11 4.02 0.11 -0.53 -4.97 120.40 118.18 1nwp s VAL 5 Ca -0.09 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 1nwp s VAL 5 Cb -0.04 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1nwp s VAL 5 CO 0.03 -0.34 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.45 1nwp s THR 6 N -1.46 3.22 -0.06 5.04 2.01 -1.26 -1.30 115.64 121.82 1nwp s THR 6 Ca -0.14 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1nwp s THR 6 Cb -0.06 -2.34 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 1nwp s THR 6 CO 0.02 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.61 1nwp s VAL 7 N 0.00 1.64 0.08 3.82 1.01 0.33 -4.97 120.40 122.32 1nwp s VAL 7 Ca -0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1nwp s VAL 7 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1nwp s VAL 7 CO 0.04 0.46 0.20 -0.62 0.00 0.00 0.00 175.10 175.18 1nwp s ASP 8 N 0.21 6.19 0.07 3.32 2.15 -1.26 -0.78 116.67 126.57 1nwp s ASP 8 Ca -0.10 0.19 0.04 0.00 0.43 0.00 0.00 52.55 53.12 1nwp s ASP 8 Cb -0.14 -1.86 -0.03 0.00 -0.30 0.00 0.00 42.92 40.59 1nwp s ASP 8 CO 0.04 0.15 -0.12 -0.94 -0.17 0.00 0.00 175.17 174.14 1nwp s SER 9 N -2.64 1.43 0.33 -0.34 1.04 0.09 -1.63 113.70 111.98 1nwp s SER 9 Ca 0.34 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 56.17 1nwp s SER 9 Cb -0.12 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 65.92 1nwp s SER 9 CO 0.27 -0.15 0.00 0.42 0.98 0.00 0.00 173.24 174.76 1nwp s THR 10 N -1.60 1.55 0.05 2.02 -4.23 -0.82 -1.25 115.64 111.36 1nwp s THR 10 Ca -0.02 -2.05 0.32 0.00 -1.18 0.00 0.00 61.69 58.76 1nwp s THR 10 Cb -0.08 -2.71 0.35 0.00 1.34 0.00 0.00 72.50 71.40 1nwp s THR 10 CO 0.01 -0.12 1.96 0.44 -0.54 0.00 0.00 174.62 176.38 1nwp h ASP 11 N 2.10 0.00 -0.33 3.99 3.32 -1.91 -2.75 116.42 120.84 1nwp h ASP 11 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1nwp h ASP 11 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1nwp h ASP 11 CO 0.71 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 178.23 1nwp n GLN 12 N -2.76 1.85 -3.34 3.56 3.00 -1.26 -4.94 117.38 113.49 1nwp n GLN 12 Ca -0.00 -1.21 -0.17 0.00 -0.01 0.00 0.00 57.00 55.61 1nwp n GLN 12 Cb 0.20 -1.31 0.07 0.00 0.00 0.00 0.00 30.24 29.20 1nwp n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1nwp n MET 13 N 0.45 -2.94 -3.77 -1.09 1.56 -1.04 -5.02 117.12 105.27 1nwp n MET 13 Ca 0.11 0.81 -0.13 0.00 -0.27 0.00 0.00 57.70 58.23 1nwp n MET 13 Cb 0.31 -5.64 -0.09 0.00 2.15 0.00 0.00 33.22 29.96 1nwp n MET 13 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1nwp s SER 14 N -3.59 -0.17 0.36 6.12 1.04 -1.26 -4.54 113.70 111.66 1nwp s SER 14 Ca 0.37 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.81 1nwp s SER 14 Cb -0.06 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.32 1nwp s SER 14 CO 0.75 -0.43 0.65 -0.36 0.98 0.00 0.00 173.24 174.83 1nwp s PHE 15 N -1.30 3.50 -1.19 5.02 0.08 -1.26 -1.94 117.98 120.89 1nwp s PHE 15 Ca -0.13 0.72 0.13 0.00 0.12 0.00 0.00 56.93 57.77 1nwp s PHE 15 Cb -0.05 -2.18 0.54 0.00 -0.57 0.00 0.00 43.02 40.75 1nwp s PHE 15 CO 0.04 0.01 1.40 0.27 -0.10 0.00 0.00 175.22 176.84 1nwp n ASN 16 N -1.41 3.70 -3.97 1.36 6.94 -0.65 -4.84 115.26 116.40 1nwp n ASN 16 Ca -0.01 -2.36 -0.08 0.00 -0.02 0.00 0.00 54.58 52.11 1nwp n ASN 16 Cb 0.54 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 37.37 1nwp n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1nwp s THR 17 N -1.81 0.16 -1.05 5.53 -1.32 -1.26 -4.94 115.64 110.95 1nwp s THR 17 Ca 0.38 -1.33 0.12 0.00 -1.21 0.00 0.00 61.69 59.65 1nwp s THR 17 Cb 0.25 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 70.10 1nwp s THR 17 CO 0.18 -0.73 0.69 0.29 -2.21 0.00 0.00 174.62 172.83 1nwp n LYS 18 N 0.47 2.02 -3.77 7.08 5.02 -1.26 -4.89 118.16 122.83 1nwp n LYS 18 Ca -0.17 -0.63 -0.13 0.00 -2.02 0.00 0.00 58.31 55.36 1nwp n LYS 18 Cb 0.60 -1.13 -0.12 0.00 -0.02 0.00 0.00 35.03 34.35 1nwp n LYS 18 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nwp s ASP 19 N -1.54 -0.25 -0.25 4.39 2.15 -1.26 -1.31 116.67 118.61 1nwp s ASP 19 Ca 0.09 0.48 -0.00 0.00 0.43 0.00 0.00 52.55 53.55 1nwp s ASP 19 Cb 0.09 0.45 0.04 0.00 -0.30 0.00 0.00 42.92 43.20 1nwp s ASP 19 CO 0.30 -0.10 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.49 1nwp s ILE 20 N 0.44 2.65 -0.27 4.11 1.01 -0.46 -4.97 121.20 123.72 1nwp s ILE 20 Ca -0.03 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.26 1nwp s ILE 20 Cb -0.04 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1nwp s ILE 20 CO -0.02 0.13 0.35 0.00 0.00 0.00 0.00 174.94 175.40 1nwp s ALA 21 N 1.26 3.56 -0.20 9.38 0.00 -1.26 -1.04 121.76 133.46 1nwp s ALA 21 Ca -0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1nwp s ALA 21 Cb -0.18 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1nwp s ALA 21 CO -0.05 -0.62 -0.05 0.42 0.00 0.00 0.00 175.76 175.46 1nwp s ILE 22 N 1.98 3.42 -0.04 0.00 1.01 0.55 -4.95 121.20 123.17 1nwp s ILE 22 Ca 0.14 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 1nwp s ILE 22 Cb -0.16 -2.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1nwp s ILE 22 CO 0.10 0.45 1.44 -0.62 0.00 0.00 0.00 174.94 176.30 1nwp s ASP 23 N 1.16 6.82 0.60 3.58 -1.08 -1.26 -0.12 116.67 126.37 1nwp s ASP 23 Ca 0.02 2.07 0.32 0.00 -0.52 0.00 0.00 52.55 54.45 1nwp s ASP 23 Cb -0.14 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.65 1nwp s ASP 23 CO -0.01 -0.78 2.25 0.11 0.52 0.00 0.00 175.17 177.27 1nwp h LYS 24 N 8.29 0.00 0.00 4.34 1.57 -1.42 -1.20 116.57 128.15 1nwp h LYS 24 Ca -0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1nwp h LYS 24 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1nwp h LYS 24 CO 0.93 0.02 -0.07 0.77 -0.57 0.00 0.00 179.45 180.52 1nwp h SER 25 N 0.00 0.00 -3.37 0.86 0.02 -1.91 -3.44 113.55 105.71 1nwp h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1nwp h SER 25 Cb 0.06 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.65 1nwp h SER 25 CO 0.00 0.07 0.76 0.00 -1.14 0.00 0.00 176.83 176.52 1nwp h LYS 27 N 5.06 0.26 -5.89 0.00 3.11 -1.88 -3.42 116.57 113.81 1nwp h LYS 27 Ca -0.46 -0.25 -0.52 0.00 -2.81 0.00 0.00 60.65 56.61 1nwp h LYS 27 Cb 1.22 0.06 -0.16 0.00 -1.00 0.00 0.00 32.23 32.35 1nwp h LYS 27 CO 0.78 0.94 -0.77 0.95 -2.81 0.00 0.00 179.45 178.54 1nwp s THR 28 N -3.33 1.91 -0.01 1.00 -4.23 -1.26 -1.33 115.64 108.39 1nwp s THR 28 Ca -0.15 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.33 1nwp s THR 28 Cb 0.02 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.87 1nwp s THR 28 CO 0.76 -0.40 -0.16 0.12 -0.54 0.00 0.00 174.62 174.40 1nwp s PHE 29 N -2.37 1.45 -0.15 3.99 5.36 -0.08 -4.83 117.98 121.34 1nwp s PHE 29 Ca 0.20 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1nwp s PHE 29 Cb -0.04 -0.93 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1nwp s PHE 29 CO 0.08 -0.02 -0.19 0.99 -1.46 0.00 0.00 175.22 174.62 1nwp s THR 30 N -0.39 2.32 -0.23 0.12 2.01 -0.13 -1.17 115.64 118.18 1nwp s THR 30 Ca 0.06 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.13 1nwp s THR 30 Cb -0.06 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1nwp s THR 30 CO -0.01 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.76 1nwp s VAL 31 N 0.90 3.68 -0.14 3.82 1.01 -0.09 -1.46 120.40 128.13 1nwp s VAL 31 Ca -0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 1nwp s VAL 31 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1nwp s VAL 31 CO -0.03 0.40 0.10 -0.70 0.00 0.00 0.00 175.10 174.87 1nwp s GLU 32 N 1.49 3.56 -0.09 2.72 2.12 -0.42 -1.00 118.70 127.08 1nwp s GLU 32 Ca 0.06 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.18 1nwp s GLU 32 Cb -0.14 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 1nwp s GLU 32 CO -0.01 0.60 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.94 1nwp s LEU 33 N -0.54 2.31 0.35 2.70 2.96 0.66 -0.51 118.68 126.61 1nwp s LEU 33 Ca 0.11 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1nwp s LEU 33 Cb -0.12 -1.47 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 1nwp s LEU 33 CO 0.02 0.20 -0.04 0.42 -1.32 0.00 0.00 176.35 175.62 1nwp s THR 34 N 0.14 2.38 -0.23 3.68 -4.23 0.04 -1.74 115.64 115.68 1nwp s THR 34 Ca -0.11 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.28 1nwp s THR 34 Cb -0.16 -2.73 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1nwp s THR 34 CO 0.06 -0.19 0.05 -2.28 -0.54 0.00 0.00 174.62 171.73 1nwp s HIS 35 N -2.58 1.20 0.78 3.99 2.46 -1.14 -0.73 115.29 119.27 1nwp s HIS 35 Ca 0.34 -1.12 -0.08 0.00 0.47 0.00 0.00 55.06 54.67 1nwp s HIS 35 Cb 0.02 -1.21 0.12 0.00 -0.13 0.00 0.00 32.58 31.37 1nwp s HIS 35 CO 0.18 -0.70 1.10 -1.54 -2.47 0.00 0.00 174.74 171.31 1nwp s SER 36 N 1.80 4.22 0.00 9.88 1.04 -0.38 -0.78 113.70 129.48 1nwp s SER 36 Ca 0.02 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1nwp s SER 36 Cb -0.17 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1nwp s SER 36 CO -0.14 -1.98 0.00 0.61 0.98 0.00 0.00 173.24 172.70 1nwp n GLY 37 N -3.15 -1.68 0.00 7.32 0.00 -1.26 -4.09 105.19 102.33 1nwp n GLY 37 Ca 0.12 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1nwp n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nwp n SER 38 N 0.08 0.16 -4.73 1.61 3.41 -1.26 -4.38 113.62 108.51 1nwp n SER 38 Ca 0.00 -0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 57.38 1nwp n SER 38 Cb 0.00 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 63.95 1nwp n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nwp s LEU 39 N -0.08 4.51 0.78 1.04 1.02 -1.26 -4.83 118.68 119.86 1nwp s LEU 39 Ca 0.00 1.89 -0.11 0.00 0.02 0.00 0.00 54.13 55.94 1nwp s LEU 39 Cb 0.00 -3.59 0.06 0.00 0.02 0.00 0.00 46.19 42.68 1nwp s LEU 39 CO 0.00 -0.10 1.09 -2.16 0.02 0.00 0.00 176.35 175.21 1nwp s PRO 40 N -0.19 2.17 0.50 1.29 0.04 -1.26 -2.06 135.00 135.49 1nwp s PRO 40 Ca 0.47 1.14 0.23 0.00 0.04 0.00 0.00 61.00 62.88 1nwp s PRO 40 Cb -0.25 -1.89 1.30 0.00 0.04 0.00 0.00 34.50 33.70 1nwp s PRO 40 CO 0.31 -1.70 2.05 1.57 0.04 0.00 0.00 177.00 179.28 1nwp h LYS 41 N -1.17 0.00 0.00 4.56 2.10 -1.86 0.41 116.57 120.61 1nwp h LYS 41 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1nwp h LYS 41 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1nwp h LYS 41 CO 0.52 0.14 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 1nwp n ASN 42 N -3.89 0.17 -0.11 7.07 6.94 -1.26 -1.39 115.26 122.79 1nwp n ASN 42 Ca -0.02 0.52 -0.18 0.00 -0.02 0.00 0.00 54.58 54.88 1nwp n ASN 42 Cb 0.24 -0.56 -0.09 0.00 -2.36 0.00 0.00 39.78 37.00 1nwp n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1nwp n VAL 43 N -1.66 1.22 -2.73 3.53 0.31 0.00 -4.82 118.33 114.18 1nwp n VAL 43 Ca 0.06 -0.40 -0.05 0.00 -0.01 0.00 0.00 64.34 63.94 1nwp n VAL 43 Cb 0.32 -1.47 0.06 0.00 -0.91 0.00 0.00 33.84 31.84 1nwp n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1nwp n MET 44 N -3.48 1.38 -2.55 5.55 0.00 -0.43 -5.03 117.12 112.56 1nwp n MET 44 Ca -0.40 -2.96 -0.35 0.00 -0.00 0.00 0.00 57.70 53.99 1nwp n MET 44 Cb 0.86 -1.05 -0.04 0.00 0.00 0.00 0.00 33.22 32.99 1nwp n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1nwp s GLY 45 N -2.93 2.59 0.01 -5.12 0.00 -0.48 -4.78 107.32 96.61 1nwp s GLY 45 Ca 0.25 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1nwp s GLY 45 CO -0.02 1.00 -0.08 0.30 0.00 0.00 0.00 173.10 174.31 1nwp s HIS 46 N -1.86 0.67 0.51 1.90 3.76 -0.54 -4.77 115.29 114.97 1nwp s HIS 46 Ca 0.64 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 55.36 1nwp s HIS 46 Cb -0.18 -0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.07 1nwp s HIS 46 CO 0.23 -0.02 0.01 0.54 -0.85 0.00 0.00 174.74 174.65 1nwp s ASN 47 N -0.47 4.04 -0.09 1.40 4.22 -1.26 -0.62 114.94 122.16 1nwp s ASN 47 Ca 0.01 -1.68 0.00 0.00 -2.14 0.00 0.00 52.86 49.05 1nwp s ASN 47 Cb -0.04 0.58 0.02 0.00 1.28 0.00 0.00 41.25 43.09 1nwp s ASN 47 CO -0.00 -0.89 -0.08 -0.22 -2.04 0.00 0.00 177.10 173.88 1nwp s LEU 48 N -3.87 1.24 -0.03 3.54 0.20 -1.26 -4.16 118.68 114.34 1nwp s LEU 48 Ca 0.05 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 54.67 1nwp s LEU 48 Cb 0.01 -0.77 -0.01 0.00 -0.43 0.00 0.00 46.19 44.98 1nwp s LEU 48 CO 0.03 -0.09 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.09 1nwp s VAL 49 N 1.45 1.78 -0.13 1.68 1.01 0.39 -1.43 120.40 125.15 1nwp s VAL 49 Ca -0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1nwp s VAL 49 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1nwp s VAL 49 CO -0.05 0.50 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 1nwp s ILE 50 N -0.42 3.32 0.35 2.22 1.01 0.18 -1.30 121.20 126.57 1nwp s ILE 50 Ca 0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 1nwp s ILE 50 Cb -0.10 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 40.00 1nwp s ILE 50 CO 0.00 0.52 0.65 -0.94 0.00 0.00 0.00 174.94 175.17 1nwp s SER 51 N 0.23 0.32 0.46 3.58 1.04 -0.83 -1.20 113.70 117.30 1nwp s SER 51 Ca -0.07 -1.22 -0.25 0.00 0.48 0.00 0.00 55.95 54.89 1nwp s SER 51 Cb -0.15 0.75 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 1nwp s SER 51 CO 0.04 -1.48 1.37 0.29 0.98 0.00 0.00 173.24 174.44 1nwp n LYS 52 N -0.53 2.08 -0.35 4.02 5.02 -1.26 -0.72 118.16 126.42 1nwp n LYS 52 Ca -0.04 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.07 1nwp n LYS 52 Cb 0.61 -2.55 0.24 0.00 -0.02 0.00 0.00 35.03 33.31 1nwp n LYS 52 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1nwp h GLU 53 N 2.11 0.87 0.00 1.97 4.81 -1.30 0.40 114.58 123.44 1nwp h GLU 53 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1nwp h GLU 53 Cb 1.28 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1nwp h GLU 53 CO 0.60 0.58 0.00 0.00 -0.73 0.00 0.00 179.01 179.46 1nwp h ALA 54 N 1.55 1.00 -0.00 2.92 0.00 -1.90 -2.94 119.26 119.88 1nwp h ALA 54 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1nwp h ALA 54 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nwp h ALA 54 CO -0.29 0.00 -0.70 -0.25 0.00 0.00 0.00 179.25 178.01 1nwp n ASP 55 N -2.62 0.96 0.12 0.00 8.00 0.12 -4.54 116.55 118.59 1nwp n ASP 55 Ca 0.01 -0.80 -0.13 0.00 0.71 0.00 0.00 54.79 54.58 1nwp n ASP 55 Cb 0.27 0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 41.89 1nwp n ASP 55 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nwp h MET 56 N 0.41 -0.22 -0.25 -1.24 2.86 -1.47 -1.36 114.93 113.66 1nwp h MET 56 Ca 0.00 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1nwp h MET 56 Cb 0.53 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1nwp h MET 56 CO 0.00 -0.13 -0.04 0.37 1.06 0.00 0.00 176.91 178.17 1nwp h GLN 57 N -0.24 0.47 -0.80 1.72 5.75 -1.82 -1.54 115.11 118.65 1nwp h GLN 57 Ca -0.02 -0.17 0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1nwp h GLN 57 Cb 0.19 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.63 1nwp h GLN 57 CO 0.04 0.67 0.45 -1.35 -2.65 0.00 0.00 178.83 175.99 1nwp h PRO 58 N 0.22 0.74 -0.49 -2.39 0.11 -1.80 0.36 132.00 128.75 1nwp h PRO 58 Ca 0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1nwp h PRO 58 Cb 0.48 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1nwp h PRO 58 CO 0.02 0.49 0.31 0.82 -0.21 0.00 0.00 178.00 179.43 1nwp h ILE 59 N 0.77 1.14 -0.67 4.15 2.04 -1.08 -0.96 117.51 122.89 1nwp h ILE 59 Ca 0.38 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1nwp h ILE 59 Cb 0.34 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1nwp h ILE 59 CO -0.24 0.14 0.21 0.00 0.00 0.00 0.00 178.15 178.26 1nwp h ALA 60 N 1.15 0.88 -0.52 1.87 0.00 -0.62 -0.58 119.26 121.44 1nwp h ALA 60 Ca 0.18 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1nwp h ALA 60 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1nwp h ALA 60 CO -0.03 0.56 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 1nwp h THR 61 N 0.98 1.27 0.00 0.00 2.02 -0.74 -2.33 112.91 114.10 1nwp h THR 61 Ca 0.22 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1nwp h THR 61 Cb 0.30 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1nwp h THR 61 CO -0.01 0.40 -0.21 0.44 0.37 0.00 0.00 175.52 176.51 1nwp h ASP 62 N 0.80 0.00 1.54 4.18 5.19 -0.93 -2.87 116.42 124.34 1nwp h ASP 62 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1nwp h ASP 62 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1nwp h ASP 62 CO 0.03 0.21 0.00 1.23 -3.12 0.00 0.00 179.24 177.59 1nwp h GLY 63 N 1.12 0.00 0.52 2.75 0.00 -0.55 -3.27 103.07 103.64 1nwp h GLY 63 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1nwp h GLY 63 CO 0.03 0.00 0.41 1.41 0.00 0.00 0.00 176.54 178.39 1nwp h LEU 64 N 0.00 0.57 -0.11 3.11 3.38 -1.35 -1.47 115.31 119.44 1nwp h LEU 64 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nwp h LEU 64 Cb 0.77 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nwp h LEU 64 CO 0.00 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.32 1nwp n SER 65 N -4.80 0.78 0.06 -0.43 3.41 -1.23 -3.40 113.62 108.01 1nwp n SER 65 Ca 0.12 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1nwp n SER 65 Cb 0.26 -0.79 0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1nwp n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nwp h ALA 66 N 2.49 0.62 0.00 7.33 0.00 -1.43 -3.50 119.26 124.78 1nwp h ALA 66 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1nwp h ALA 66 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nwp h ALA 66 CO 0.00 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.43 1nwp n GLY 67 N 0.56 -0.86 0.25 0.00 0.00 -1.21 -4.10 105.19 99.83 1nwp n GLY 67 Ca -0.04 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.44 1nwp n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwp h ILE 68 N 0.00 0.71 0.00 -0.61 2.10 -1.92 -0.82 117.51 116.96 1nwp h ILE 68 Ca 0.00 -0.70 -0.04 0.00 1.08 0.00 0.00 64.86 65.20 1nwp h ILE 68 Cb 0.00 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.16 1nwp h ILE 68 CO 0.00 0.16 -0.20 -0.78 -1.08 0.00 0.00 178.15 176.26 1nwp h ASP 69 N 0.00 0.00 -0.44 2.19 3.58 -2.02 -1.82 116.42 117.91 1nwp h ASP 69 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1nwp h ASP 69 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1nwp h ASP 69 CO 0.02 0.20 0.02 0.29 -2.88 0.00 0.00 179.24 176.89 1nwp n LYS 70 N -3.46 3.90 -2.04 0.28 5.02 -0.74 -4.94 118.16 116.17 1nwp n LYS 70 Ca -0.00 -3.03 -0.19 0.00 -2.02 0.00 0.00 58.31 53.07 1nwp n LYS 70 Cb 0.37 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 1nwp n LYS 70 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nwp n GLN 71 N 0.03 -1.44 -3.81 1.97 1.13 -0.68 -2.83 117.38 111.75 1nwp n GLN 71 Ca 0.26 1.02 -0.26 0.00 -1.94 0.00 0.00 57.00 56.08 1nwp n GLN 71 Cb 1.08 -5.47 0.03 0.00 0.11 0.00 0.00 30.24 25.98 1nwp n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1nwp n TYR 72 N -3.40 -2.11 -3.80 1.08 4.01 -0.39 -4.76 117.16 107.79 1nwp n TYR 72 Ca -0.21 0.87 -0.14 0.00 -0.16 0.00 0.00 57.90 58.26 1nwp n TYR 72 Cb 0.65 -4.18 -0.15 0.00 -0.31 0.00 0.00 39.34 35.35 1nwp n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nwp s LEU 73 N -6.99 1.33 0.23 7.72 1.02 -1.13 -4.36 118.68 116.50 1nwp s LEU 73 Ca 0.33 0.08 -0.30 0.00 0.02 0.00 0.00 54.13 54.25 1nwp s LEU 73 Cb -0.16 0.04 -0.10 0.00 0.02 0.00 0.00 46.19 45.99 1nwp s LEU 73 CO 0.82 -0.09 1.48 -0.75 0.02 0.00 0.00 176.35 177.84 1nwp s LYS 74 N 0.70 4.25 0.22 1.70 2.20 -1.26 -4.80 119.74 122.74 1nwp s LYS 74 Ca -0.06 2.33 -0.31 0.00 -0.36 0.00 0.00 55.97 57.57 1nwp s LYS 74 Cb -0.08 -3.12 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 1nwp s LYS 74 CO -0.02 -0.48 1.65 0.34 -0.36 0.00 0.00 175.35 176.48 1nwp s ASP 75 N 0.60 6.42 -0.96 1.43 2.15 -1.26 -2.34 116.67 122.71 1nwp s ASP 75 Ca 0.63 2.84 0.00 0.00 0.43 0.00 0.00 52.55 56.44 1nwp s ASP 75 Cb -0.43 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.59 1nwp s ASP 75 CO 0.40 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 175.09 1nwp n GLY 76 N 3.42 1.07 3.60 2.66 0.00 -1.26 -4.94 105.19 109.75 1nwp n GLY 76 Ca 0.13 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1nwp n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwp s ASP 77 N -2.84 5.53 0.19 1.61 -1.08 -0.99 -4.83 116.67 114.27 1nwp s ASP 77 Ca 0.00 1.91 0.23 0.00 -0.52 0.00 0.00 52.55 54.17 1nwp s ASP 77 Cb 0.00 -2.51 0.90 0.00 -1.46 0.00 0.00 42.92 39.85 1nwp s ASP 77 CO 0.00 -1.90 1.69 0.00 0.52 0.00 0.00 175.17 175.48 1nwp n ALA 78 N 11.38 1.79 0.74 3.66 0.00 -1.26 -2.66 120.51 134.17 1nwp n ALA 78 Ca 0.29 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.89 1nwp n ALA 78 Cb 0.45 -1.38 0.49 0.00 0.00 0.00 0.00 19.45 19.01 1nwp n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nwp n ARG 79 N -2.08 0.14 -3.01 0.00 1.74 -1.26 -4.75 116.66 107.43 1nwp n ARG 79 Ca 0.03 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1nwp n ARG 79 Cb 0.26 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1nwp n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nwp s VAL 80 N -3.07 4.95 -0.15 1.55 1.01 -1.09 -4.42 120.40 119.18 1nwp s VAL 80 Ca 0.11 1.37 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 1nwp s VAL 80 Cb 0.14 -4.03 -0.25 0.00 0.00 0.00 0.00 36.38 32.25 1nwp s VAL 80 CO 0.53 0.05 0.64 0.40 0.00 0.00 0.00 175.10 176.71 1nwp h ILE 81 N 5.25 1.53 -2.93 2.22 2.04 -1.45 -3.49 117.51 120.68 1nwp h ILE 81 Ca -0.29 -2.32 -0.06 0.00 1.00 0.00 0.00 64.86 63.19 1nwp h ILE 81 Cb 1.13 3.07 -0.16 0.00 -0.74 0.00 0.00 36.82 40.13 1nwp h ILE 81 CO 0.81 0.55 0.00 0.00 0.00 0.00 0.00 178.15 179.51 1nwp s ALA 82 N -2.28 -1.22 0.00 1.87 0.00 -1.22 -5.00 121.76 113.92 1nwp s ALA 82 Ca -0.21 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 1nwp s ALA 82 Cb -0.00 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.65 1nwp s ALA 82 CO 0.68 -0.53 0.70 -3.38 0.00 0.00 0.00 175.76 173.23 1nwp s HIS 83 N -2.73 -0.57 0.62 0.00 -3.43 -1.26 -0.64 115.29 107.28 1nwp s HIS 83 Ca -0.04 0.78 0.02 0.00 -0.80 0.00 0.00 55.06 55.01 1nwp s HIS 83 Cb -0.00 0.47 0.08 0.00 -1.43 0.00 0.00 32.58 31.69 1nwp s HIS 83 CO -0.04 -0.65 0.86 0.95 -2.00 0.00 0.00 174.74 173.86 1nwp s THR 84 N -2.08 2.41 0.88 -5.38 -4.23 -0.51 -4.77 115.64 101.95 1nwp s THR 84 Ca -0.05 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.66 1nwp s THR 84 Cb -0.00 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.23 1nwp s THR 84 CO 0.01 0.00 1.10 -0.54 -0.54 0.00 0.00 174.62 174.65 1nwp s LYS 85 N -4.89 1.41 -0.10 3.99 1.02 -1.26 -4.58 119.74 115.33 1nwp s LYS 85 Ca 0.61 0.72 -0.30 0.00 0.02 0.00 0.00 55.97 57.02 1nwp s LYS 85 Cb -0.08 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1nwp s LYS 85 CO 0.41 -2.11 1.11 0.08 -0.92 0.00 0.00 175.35 173.92 1nwp s VAL 86 N -3.02 4.52 0.23 3.17 1.01 -1.26 -4.29 120.40 120.76 1nwp s VAL 86 Ca 0.63 1.82 0.11 0.00 0.00 0.00 0.00 61.98 64.54 1nwp s VAL 86 Cb -0.17 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 1nwp s VAL 86 CO 0.56 -0.03 -0.18 0.27 0.00 0.00 0.00 175.10 175.72 1nwp s ILE 87 N 2.34 2.64 0.35 2.22 -4.36 0.21 -4.88 121.20 119.72 1nwp s ILE 87 Ca 0.51 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1nwp s ILE 87 Cb -0.21 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.19 1nwp s ILE 87 CO 0.18 -0.24 0.16 0.61 0.24 0.00 0.00 174.94 175.89 1nwp n GLY 88 N -0.19 3.23 3.65 6.27 0.00 -1.26 -1.46 105.19 115.43 1nwp n GLY 88 Ca -0.09 -2.28 -0.46 0.00 0.00 0.00 0.00 46.02 43.19 1nwp n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwp n ALA 89 N -2.13 0.81 -0.28 4.61 0.00 -0.87 -1.57 120.51 121.06 1nwp n ALA 89 Ca -0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1nwp n ALA 89 Cb 0.41 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1nwp n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwp n GLY 90 N 2.52 1.80 3.97 0.00 0.00 0.04 -4.98 105.19 108.53 1nwp n GLY 90 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1nwp n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwp s GLU 91 N -0.22 2.93 0.18 1.61 2.02 -0.61 -4.96 118.70 119.65 1nwp s GLU 91 Ca 0.00 -0.72 -0.12 0.00 0.02 0.00 0.00 54.97 54.14 1nwp s GLU 91 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1nwp s GLU 91 CO 0.00 -0.30 0.39 -1.59 0.02 0.00 0.00 175.26 173.77 1nwp s LYS 92 N -4.51 1.27 0.17 1.61 -2.85 -1.26 -2.89 119.74 111.29 1nwp s LYS 92 Ca 0.50 -1.07 -0.22 0.00 -1.00 0.00 0.00 55.97 54.18 1nwp s LYS 92 Cb -0.10 0.44 0.06 0.00 -2.06 0.00 0.00 37.83 36.17 1nwp s LYS 92 CO 0.36 -0.50 0.60 0.34 0.10 0.00 0.00 175.35 176.25 1nwp s ASP 93 N -2.94 -0.51 0.03 0.03 2.15 -0.71 -5.01 116.67 109.72 1nwp s ASP 93 Ca 0.15 -0.10 -0.07 0.00 0.43 0.00 0.00 52.55 52.95 1nwp s ASP 93 Cb 0.01 0.61 -0.00 0.00 -0.30 0.00 0.00 42.92 43.24 1nwp s ASP 93 CO -0.00 -1.01 0.14 -0.94 -0.17 0.00 0.00 175.17 173.18 1nwp s SER 94 N -2.78 0.11 -0.01 -0.34 1.04 -1.26 -0.25 113.70 110.21 1nwp s SER 94 Ca 0.03 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1nwp s SER 94 Cb -0.01 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1nwp s SER 94 CO -0.10 -0.51 -0.04 0.54 0.98 0.00 0.00 173.24 174.11 1nwp s VAL 95 N -2.43 0.33 -0.09 5.02 0.11 -0.17 -4.94 120.40 118.23 1nwp s VAL 95 Ca -0.06 -0.13 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 1nwp s VAL 95 Cb -0.02 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1nwp s VAL 95 CO -0.03 0.12 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.79 1nwp s THR 96 N 0.21 2.72 0.11 5.04 2.01 -1.26 -0.91 115.64 123.57 1nwp s THR 96 Ca -0.02 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1nwp s THR 96 Cb -0.05 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 1nwp s THR 96 CO -0.00 0.55 0.03 0.72 -0.69 0.00 0.00 174.62 175.23 1nwp s PHE 97 N 0.01 0.78 -0.10 4.92 -0.71 -0.31 -4.96 117.98 117.60 1nwp s PHE 97 Ca -0.06 -1.19 -0.29 0.00 -1.04 0.00 0.00 56.93 54.35 1nwp s PHE 97 Cb -0.15 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1nwp s PHE 97 CO 0.05 -0.48 0.98 -0.51 -1.34 0.00 0.00 175.22 173.91 1nwp s ASP 98 N -3.02 7.22 0.39 1.98 1.11 -1.26 -0.90 116.67 122.19 1nwp s ASP 98 Ca 0.20 1.50 0.28 0.00 0.18 0.00 0.00 52.55 54.71 1nwp s ASP 98 Cb 0.08 -2.54 1.18 0.00 1.07 0.00 0.00 42.92 42.71 1nwp s ASP 98 CO -0.01 -0.41 1.84 0.58 1.18 0.00 0.00 175.17 178.34 1nwp h VAL 99 N 5.07 0.00 0.00 -1.27 2.07 -1.45 -2.20 116.25 118.47 1nwp h VAL 99 Ca -0.32 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1nwp h VAL 99 Cb 1.15 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1nwp h VAL 99 CO 0.84 0.00 0.00 0.77 0.02 0.00 0.00 177.57 179.20 1nwp h SER 100 N 0.00 0.00 1.02 0.57 4.64 -1.88 -1.24 113.55 116.67 1nwp h SER 100 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nwp h SER 100 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1nwp h SER 100 CO 0.00 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 176.03 1nwp h LYS 101 N 0.00 0.00 -5.82 4.77 1.57 -1.79 -3.41 116.57 111.89 1nwp h LYS 101 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1nwp h LYS 101 Cb 0.21 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.43 1nwp h LYS 101 CO 0.00 0.04 0.50 -0.51 -0.57 0.00 0.00 179.45 178.90 1nwp s LEU 102 N -6.29 4.08 -0.31 2.94 1.02 -0.47 -5.03 118.68 114.62 1nwp s LEU 102 Ca 0.01 1.02 -0.20 0.00 0.02 0.00 0.00 54.13 54.98 1nwp s LEU 102 Cb 0.09 -3.21 -0.01 0.00 0.02 0.00 0.00 46.19 43.08 1nwp s LEU 102 CO 0.56 -0.55 0.64 0.00 0.02 0.00 0.00 176.35 177.02 1nwp s ALA 103 N 2.90 3.53 0.21 4.21 0.00 -1.26 -5.04 121.76 126.30 1nwp s ALA 103 Ca 0.35 -0.65 -0.32 0.00 0.00 0.00 0.00 51.96 51.35 1nwp s ALA 103 Cb -0.15 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1nwp s ALA 103 CO 0.08 -1.10 1.70 0.00 0.00 0.00 0.00 175.76 176.44 1nwp n ALA 104 N 5.91 2.63 0.00 0.00 0.00 -1.26 -1.40 120.51 126.39 1nwp n ALA 104 Ca -0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1nwp n ALA 104 Cb 0.49 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1nwp n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwp n GLY 105 N 3.78 2.99 3.86 0.00 0.00 -1.26 -5.05 105.19 109.51 1nwp n GLY 105 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1nwp n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nwp s GLU 106 N -0.52 3.88 -0.23 1.61 2.56 -0.49 -5.07 118.70 120.44 1nwp s GLU 106 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 54.97 55.34 1nwp s GLU 106 Cb 0.00 -2.50 -0.05 0.00 2.00 0.00 0.00 34.13 33.58 1nwp s GLU 106 CO 0.00 0.18 0.14 0.15 -0.56 0.00 0.00 175.26 175.17 1nwp s LYS 107 N -3.11 4.01 0.21 4.30 -0.14 -1.26 -4.90 119.74 118.84 1nwp s LYS 107 Ca 0.51 -0.30 0.11 0.00 -1.36 0.00 0.00 55.97 54.92 1nwp s LYS 107 Cb -0.11 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 1nwp s LYS 107 CO 0.22 0.06 -0.19 0.71 -0.76 0.00 0.00 175.35 175.38 1nwp s TYR 108 N 1.05 2.38 0.14 3.18 2.02 -1.26 -0.92 117.35 123.94 1nwp s TYR 108 Ca 0.07 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.37 1nwp s TYR 108 Cb -0.14 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1nwp s TYR 108 CO 0.04 0.55 0.23 0.20 -1.57 0.00 0.00 175.55 174.99 1nwp s GLY 109 N -2.89 0.50 0.14 0.71 0.00 0.10 -1.46 107.32 104.42 1nwp s GLY 109 Ca 0.24 -0.94 0.10 0.00 0.00 0.00 0.00 44.72 44.11 1nwp s GLY 109 CO 0.12 -0.93 -0.24 -0.11 0.00 0.00 0.00 173.10 171.95 1nwp s PHE 110 N -3.96 2.14 0.29 1.90 -0.71 -0.45 -1.97 117.98 115.23 1nwp s PHE 110 Ca 0.16 -0.39 -0.18 0.00 -1.04 0.00 0.00 56.93 55.48 1nwp s PHE 110 Cb 0.04 -1.13 0.02 0.00 -1.21 0.00 0.00 43.02 40.75 1nwp s PHE 110 CO -0.02 0.35 0.67 -0.59 -1.34 0.00 0.00 175.22 174.30 1nwp s PHE 111 N -1.35 0.03 -0.15 3.49 -0.71 -0.42 -0.52 117.98 118.35 1nwp s PHE 111 Ca 0.14 -0.50 -0.04 0.00 -1.04 0.00 0.00 56.93 55.49 1nwp s PHE 111 Cb -0.09 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1nwp s PHE 111 CO 0.07 -1.24 -0.01 0.00 -1.34 0.00 0.00 175.22 172.69 1nwp n SER 113 N 3.40 3.23 -4.75 0.00 3.41 -1.26 -3.58 113.62 114.07 1nwp n SER 113 Ca -0.17 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.05 1nwp n SER 113 Cb 0.52 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1nwp n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1nwp s PHE 114 N -1.65 2.73 -0.25 7.33 2.19 -1.26 -4.79 117.98 122.28 1nwp s PHE 114 Ca 0.36 0.78 -0.41 0.00 0.33 0.00 0.00 56.93 57.99 1nwp s PHE 114 Cb 0.22 -4.08 -0.17 0.00 -1.31 0.00 0.00 43.02 37.68 1nwp s PHE 114 CO 0.31 -3.64 1.64 -2.30 1.83 0.00 0.00 175.22 173.07 1nwp n PRO 115 N 2.12 0.93 -0.10 10.12 -0.02 -1.26 -1.46 135.00 145.33 1nwp n PRO 115 Ca 0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1nwp n PRO 115 Cb 0.37 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1nwp n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwp n GLY 116 N 3.84 1.80 0.15 -1.23 0.00 -1.26 -4.89 105.19 103.59 1nwp n GLY 116 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.31 1nwp n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1nwp h HIS 117 N 0.00 0.00 -0.97 1.61 3.86 -1.51 -3.39 115.15 114.76 1nwp h HIS 117 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1nwp h HIS 117 Cb 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 1nwp h HIS 117 CO 0.00 0.44 0.63 0.97 0.86 0.00 0.00 177.93 180.83 1nwp h ILE 118 N 0.00 1.14 0.00 2.45 2.10 -1.76 -0.33 117.51 121.11 1nwp h ILE 118 Ca -0.01 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.51 1nwp h ILE 118 Cb 1.34 -0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1nwp h ILE 118 CO 0.06 0.22 -0.07 0.77 -1.08 0.00 0.00 178.15 178.04 1nwp h SER 119 N 1.19 0.00 0.00 2.19 4.64 -1.92 -2.51 113.55 117.15 1nwp h SER 119 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1nwp h SER 119 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1nwp h SER 119 CO -0.13 0.07 -1.22 0.23 -0.87 0.00 0.00 176.83 174.91 1nwp n MET 120 N -3.32 1.07 -3.53 4.77 2.81 -0.33 -4.78 117.12 113.81 1nwp n MET 120 Ca -0.01 -0.07 -0.27 0.00 -1.81 0.00 0.00 57.70 55.54 1nwp n MET 120 Cb 0.25 -1.34 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 1nwp n MET 120 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1nwp n MET 121 N -1.70 0.87 -3.84 0.03 2.81 -0.29 -4.64 117.12 110.37 1nwp n MET 121 Ca 0.00 -3.67 -0.09 0.00 -1.81 0.00 0.00 57.70 52.13 1nwp n MET 121 Cb 0.34 -1.86 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 1nwp n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1nwp s LYS 122 N -0.67 1.44 0.04 0.03 -2.85 -1.25 -2.03 119.74 114.46 1nwp s LYS 122 Ca 0.31 -1.01 -0.05 0.00 -1.00 0.00 0.00 55.97 54.23 1nwp s LYS 122 Cb 0.03 0.50 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 1nwp s LYS 122 CO -0.17 -0.61 0.22 0.41 0.10 0.00 0.00 175.35 175.30 1nwp n GLY 123 N -0.35 1.18 3.86 0.59 0.00 0.32 -4.86 105.19 105.93 1nwp n GLY 123 Ca -0.07 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1nwp n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwp s THR 124 N -2.48 4.76 -0.20 2.61 -4.23 -0.42 -1.34 115.64 114.34 1nwp s THR 124 Ca 0.05 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1nwp s THR 124 Cb -0.01 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1nwp s THR 124 CO 0.01 -0.20 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.08 1nwp s VAL 125 N -1.88 2.74 -0.16 2.29 1.01 -0.54 -1.35 120.40 122.51 1nwp s VAL 125 Ca 0.33 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1nwp s VAL 125 Cb -0.09 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 1nwp s VAL 125 CO 0.26 0.48 -0.15 -0.89 0.00 0.00 0.00 175.10 174.80 1nwp s THR 126 N 1.33 2.71 0.12 3.92 2.01 -0.21 -4.33 115.64 121.19 1nwp s THR 126 Ca 0.04 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 1nwp s THR 126 Cb -0.14 -2.15 -0.07 0.00 0.01 0.00 0.00 72.50 70.16 1nwp s THR 126 CO -0.07 0.51 0.82 -0.76 -0.69 0.00 0.00 174.62 174.43 1nwp s LEU 127 N 0.80 4.53 0.00 4.42 1.02 -1.26 -0.33 118.68 127.86 1nwp s LEU 127 Ca -0.05 1.63 0.00 0.00 0.02 0.00 0.00 54.13 55.73 1nwp s LEU 127 Cb -0.15 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.70 1nwp s LEU 127 CO 0.00 0.08 0.09 2.29 0.02 0.00 0.00 176.35 178.83