#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwu s LYS 3 N 0.00 1.99 0.19 -1.24 0.00 -1.22 -4.40 119.74 115.06 2nwu s LYS 3 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 55.97 53.85 2nwu s LYS 3 Cb 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 37.83 36.19 2nwu s LYS 3 CO 0.00 -0.08 0.01 1.33 0.00 0.00 0.00 175.35 176.61 2nwu n VAL 4 N -1.00 0.00 -3.64 1.79 0.24 -0.79 -1.21 118.33 113.72 2nwu n VAL 4 Ca -0.06 -0.92 -0.05 0.00 -2.04 0.00 0.00 64.34 61.27 2nwu n VAL 4 Cb 0.67 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.18 2nwu n VAL 4 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2nwu s VAL 6 N -1.76 0.00 -0.04 3.34 1.01 0.30 -2.37 120.40 120.87 2nwu s VAL 6 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.06 2nwu s VAL 6 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2nwu s VAL 6 CO 0.01 0.00 -0.24 -0.69 0.00 0.00 0.00 175.10 174.17 2nwu s VAL 7 N 1.03 1.98 -0.12 2.92 1.01 -0.14 -0.37 120.40 126.72 2nwu s VAL 7 Ca -0.05 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 2nwu s VAL 7 Cb -0.04 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.73 2nwu s VAL 7 CO -0.13 0.55 0.53 0.00 0.00 0.00 0.00 175.10 176.06 2nwu s ALA 8 N -0.31 -1.35 0.35 5.51 0.00 -0.66 -0.58 121.76 124.72 2nwu s ALA 8 Ca 0.01 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2nwu s ALA 8 Cb -0.12 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 2nwu s ALA 8 CO 0.02 -0.29 0.58 -1.21 0.00 0.00 0.00 175.76 174.85 2nwu s GLU 9 N -0.47 3.51 -0.22 0.00 8.01 -1.26 0.16 118.70 128.44 2nwu s GLU 9 Ca -0.06 -0.22 -0.03 0.00 0.01 0.00 0.00 54.97 54.67 2nwu s GLU 9 Cb -0.03 -2.63 0.07 0.00 -4.31 0.00 0.00 34.13 27.23 2nwu s GLU 9 CO 0.04 0.11 0.06 0.08 0.01 0.00 0.00 175.26 175.56 2nwu s VAL 10 N -2.34 0.46 0.72 2.63 1.01 0.24 -4.91 120.40 118.22 2nwu s VAL 10 Ca 0.41 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2nwu s VAL 10 Cb -0.10 -1.07 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2nwu s VAL 10 CO 0.36 -0.33 1.05 -0.13 0.00 0.00 0.00 175.10 176.06 2nwu s ARG 11 N 1.87 2.29 0.56 2.72 3.00 -1.26 -1.17 118.95 126.96 2nwu s ARG 11 Ca 0.02 -0.05 0.25 0.00 0.00 0.00 0.00 55.73 55.95 2nwu s ARG 11 Cb -0.17 -2.11 1.52 0.00 0.00 0.00 0.00 34.95 34.19 2nwu s ARG 11 CO -0.13 -1.25 2.09 -1.35 0.00 0.00 0.00 175.30 174.66 2nwu h PRO 12 N -0.68 0.00 -0.00 3.54 0.11 -2.00 -0.21 132.00 132.75 2nwu h PRO 12 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nwu h PRO 12 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2nwu h PRO 12 CO 0.62 0.00 -0.27 -1.13 -0.21 0.00 0.00 178.00 177.02 2nwu n SER 13 N -4.10 0.76 -4.93 -2.05 3.41 -1.26 -4.90 113.62 100.55 2nwu n SER 13 Ca 0.03 -0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.74 2nwu n SER 13 Cb 0.34 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2nwu n SER 13 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2nwu s GLU 14 N -2.62 3.53 -0.34 4.33 2.02 -0.09 -5.07 118.70 120.47 2nwu s GLU 14 Ca 0.22 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.81 2nwu s GLU 14 Cb 0.19 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.66 2nwu s GLU 14 CO 0.55 0.30 0.20 0.34 0.02 0.00 0.00 175.26 176.67 2nwu s ASP 15 N -3.43 5.80 0.41 -0.19 3.68 -1.26 -4.78 116.67 116.90 2nwu s ASP 15 Ca 0.40 -0.58 0.20 0.00 2.13 0.00 0.00 52.55 54.70 2nwu s ASP 15 Cb -0.10 -2.07 1.15 0.00 -1.45 0.00 0.00 42.92 40.45 2nwu s ASP 15 CO 0.31 -0.25 1.76 1.62 0.13 0.00 0.00 175.17 178.74 2nwu h VAL 16 N 5.63 0.49 0.00 1.11 3.04 -1.97 0.61 116.25 125.15 2nwu h VAL 16 Ca -0.31 -0.12 -0.08 0.00 -1.01 0.00 0.00 66.70 65.19 2nwu h VAL 16 Cb 1.14 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 2nwu h VAL 16 CO 0.64 0.06 -0.38 0.78 -1.01 0.00 0.00 177.57 177.66 2nwu h ASN 17 N 0.35 0.00 0.43 3.17 2.35 -1.99 -1.62 115.58 118.28 2nwu h ASN 17 Ca 0.61 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.15 2nwu h ASN 17 Cb 1.63 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.99 2nwu h ASN 17 CO -0.29 0.38 -0.87 0.11 -1.65 0.00 0.00 177.43 175.11 2nwu h LYS 18 N 0.00 0.31 -0.09 0.81 1.57 -1.30 0.10 116.57 117.97 2nwu h LYS 18 Ca -0.00 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2nwu h LYS 18 Cb 0.87 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 2nwu h LYS 18 CO 0.05 1.01 -0.04 0.28 -0.57 0.00 0.00 179.45 180.18 2nwu h VAL 19 N 0.18 1.32 -0.80 0.50 2.07 -1.21 -0.80 116.25 117.51 2nwu h VAL 19 Ca -0.06 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2nwu h VAL 19 Cb 1.49 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 2nwu h VAL 19 CO 0.14 0.29 0.39 -0.07 0.02 0.00 0.00 177.57 178.34 2nwu h LEU 20 N -0.19 1.04 -0.79 2.57 3.38 -1.31 -1.97 115.31 118.05 2nwu h LEU 20 Ca 0.02 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2nwu h LEU 20 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2nwu h LEU 20 CO 0.01 0.87 -0.18 -1.28 0.09 0.00 0.00 178.44 177.95 2nwu h SER 21 N 1.14 0.72 -0.35 -0.43 0.87 -0.89 -0.86 113.55 113.75 2nwu h SER 21 Ca 0.28 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2nwu h SER 21 Cb 0.11 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2nwu h SER 21 CO -0.04 0.90 0.01 0.00 -0.53 0.00 0.00 176.83 177.18 2nwu h ALA 22 N 1.16 1.19 -0.09 6.23 0.00 -0.60 -2.83 119.26 124.32 2nwu h ALA 22 Ca 0.10 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 2nwu h ALA 22 Cb 0.66 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nwu h ALA 22 CO 0.05 0.53 -0.76 0.82 0.00 0.00 0.00 179.25 179.89 2nwu h ILE 23 N 0.67 1.35 0.00 0.00 2.04 -1.11 -3.16 117.51 117.30 2nwu h ILE 23 Ca 0.14 -2.11 -0.00 0.00 1.00 0.00 0.00 64.86 63.88 2nwu h ILE 23 Cb 0.40 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2nwu h ILE 23 CO 0.01 0.65 -0.00 0.28 0.00 0.00 0.00 178.15 179.09 2nwu h SER 24 N 0.35 0.00 -0.79 1.72 0.02 -0.91 0.35 113.55 114.30 2nwu h SER 24 Ca -0.04 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2nwu h SER 24 Cb 1.36 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 2nwu h SER 24 CO 0.14 0.00 0.52 0.78 -1.14 0.00 0.00 176.83 177.13 2nwu h ASN 25 N 0.00 0.85 0.00 3.07 -0.26 -1.50 -3.27 115.58 114.47 2nwu h ASN 25 Ca -0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 2nwu h ASN 25 Cb 0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 2nwu h ASN 25 CO 0.00 0.59 -0.18 0.49 -1.06 0.00 0.00 177.43 177.27 2nwu n PHE 26 N -4.45 0.00 -3.78 1.19 3.72 -0.44 -4.67 117.46 109.03 2nwu n PHE 26 Ca 0.10 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.29 2nwu n PHE 26 Cb 0.11 -0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.47 2nwu n PHE 26 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2nwu s PHE 27 N -1.27 0.41 -1.16 1.38 5.36 0.11 -3.23 117.98 119.59 2nwu s PHE 27 Ca 0.01 -0.00 -0.10 0.00 -0.96 0.00 0.00 56.93 55.87 2nwu s PHE 27 Cb 0.01 -0.62 0.24 0.00 -0.34 0.00 0.00 43.02 42.31 2nwu s PHE 27 CO 0.08 -0.24 1.35 -0.25 -1.46 0.00 0.00 175.22 174.70 2nwu n ASP 28 N 4.96 5.50 -4.76 6.13 8.00 -0.59 -4.00 116.55 131.79 2nwu n ASP 28 Ca -0.10 -3.07 -0.34 0.00 0.71 0.00 0.00 54.79 51.98 2nwu n ASP 28 Cb 0.50 -1.44 0.04 0.00 -0.02 0.00 0.00 41.12 40.20 2nwu n ASP 28 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2nwu s PHE 29 N -0.37 2.51 -0.11 1.24 -0.12 -1.26 -4.74 117.98 115.13 2nwu s PHE 29 Ca 0.36 1.55 0.05 0.00 -0.05 0.00 0.00 56.93 58.83 2nwu s PHE 29 Cb -0.04 -3.29 -0.10 0.00 -0.63 0.00 0.00 43.02 38.96 2nwu s PHE 29 CO -0.02 -1.87 -0.04 0.39 -0.05 0.00 0.00 175.22 173.63 2nwu n GLU 30 N -2.03 1.35 -2.77 1.99 1.02 0.11 -4.97 120.64 115.35 2nwu n GLU 30 Ca 0.12 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.18 2nwu n GLU 30 Cb 0.51 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.67 2nwu n GLU 30 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nwu n LYS 31 N -2.61 1.51 -3.64 3.49 5.02 0.12 -4.98 118.16 117.08 2nwu n LYS 31 Ca -0.18 -1.22 -0.02 0.00 -2.02 0.00 0.00 58.31 54.86 2nwu n LYS 31 Cb 0.77 0.29 -0.03 0.00 -0.02 0.00 0.00 35.03 36.03 2nwu n LYS 31 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2nwu s ASN 33 N -1.97 -0.03 -0.01 4.39 2.20 -1.13 -2.08 114.94 116.32 2nwu s ASN 33 Ca 0.02 0.02 0.07 0.00 -0.94 0.00 0.00 52.86 52.03 2nwu s ASN 33 Cb -0.00 0.03 -0.02 0.00 -2.00 0.00 0.00 41.25 39.26 2nwu s ASN 33 CO 0.01 -0.04 -0.22 -0.89 -2.94 0.00 0.00 177.10 173.02 2nwu s THR 34 N -1.59 1.76 0.31 0.54 2.01 -1.26 -2.46 115.64 114.95 2nwu s THR 34 Ca 0.10 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2nwu s THR 34 Cb -0.01 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.98 2nwu s THR 34 CO -0.05 0.48 0.07 -0.13 -0.69 0.00 0.00 174.62 174.30 2nwu s ARG 35 N -0.57 1.60 0.16 4.92 0.52 0.00 -4.93 118.95 120.65 2nwu s ARG 35 Ca 0.09 -1.89 0.07 0.00 -0.52 0.00 0.00 55.73 53.47 2nwu s ARG 35 Cb -0.09 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.66 2nwu s ARG 35 CO -0.01 -0.24 -0.14 0.15 0.02 0.00 0.00 175.30 175.09 2nwu s LYS 36 N -3.92 1.17 -0.44 3.54 1.02 -1.26 0.54 119.74 120.39 2nwu s LYS 36 Ca 0.36 -1.43 0.07 0.00 0.02 0.00 0.00 55.97 54.99 2nwu s LYS 36 Cb 0.08 -0.96 0.24 0.00 -0.52 0.00 0.00 37.83 36.67 2nwu s LYS 36 CO 0.15 0.17 0.66 -1.91 -0.92 0.00 0.00 175.35 173.50 2nwu n GLU 37 N 0.02 0.70 0.00 1.68 2.13 -0.65 -4.94 120.64 119.58 2nwu n GLU 37 Ca -0.11 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.12 2nwu n GLU 37 Cb 0.59 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.95 2nwu n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nwu n GLY 38 N 1.64 0.80 0.97 8.31 0.00 -1.26 -3.42 105.19 112.24 2nwu n GLY 38 Ca 0.17 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 45.37 2nwu n GLY 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2nwu n ILE 39 N 0.00 0.93 -4.34 -0.61 -5.35 -1.26 -4.84 119.36 103.89 2nwu n ILE 39 Ca 0.00 -0.66 -0.34 0.00 -0.27 0.00 0.00 62.75 61.48 2nwu n ILE 39 Cb 0.00 0.06 -0.13 0.00 -1.74 0.00 0.00 39.64 37.82 2nwu n ILE 39 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2nwu s ILE 40 N -1.63 3.50 0.23 7.28 1.01 -1.22 -4.04 121.20 126.32 2nwu s ILE 40 Ca 0.30 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2nwu s ILE 40 Cb 0.18 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 2nwu s ILE 40 CO 0.16 0.48 0.53 -1.81 0.00 0.00 0.00 174.94 174.29 2nwu s ASP 41 N 0.73 6.57 -0.13 3.58 1.01 -0.32 -1.63 116.67 126.48 2nwu s ASP 41 Ca -0.03 0.83 0.01 0.00 0.71 0.00 0.00 52.55 54.07 2nwu s ASP 41 Cb -0.15 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.61 2nwu s ASP 41 CO 0.02 -0.08 -0.14 -0.63 0.21 0.00 0.00 175.17 174.55 2nwu s ILE 42 N -1.85 1.48 -0.12 0.77 1.01 0.19 -0.59 121.20 122.09 2nwu s ILE 42 Ca 0.46 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 2nwu s ILE 42 Cb -0.11 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2nwu s ILE 42 CO 0.23 0.44 0.38 -0.76 0.00 0.00 0.00 174.94 175.24 2nwu s LEU 43 N 1.30 4.29 -0.29 2.97 1.43 0.12 -0.82 118.68 127.69 2nwu s LEU 43 Ca 0.00 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2nwu s LEU 43 Cb -0.14 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.63 2nwu s LEU 43 CO -0.07 0.09 -0.04 -0.69 0.23 0.00 0.00 176.35 175.88 2nwu s VAL 44 N 0.31 2.08 -0.12 -1.59 1.01 -1.03 -1.65 120.40 119.40 2nwu s VAL 44 Ca 0.21 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.34 2nwu s VAL 44 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2nwu s VAL 44 CO 0.08 -0.26 -0.01 -0.76 0.00 0.00 0.00 175.10 174.15 2nwu s LEU 45 N 1.09 3.44 0.08 3.92 1.43 0.50 -2.82 118.68 126.33 2nwu s LEU 45 Ca -0.01 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2nwu s LEU 45 Cb -0.19 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2nwu s LEU 45 CO -0.07 0.27 -0.10 -1.61 0.23 0.00 0.00 176.35 175.07 2nwu s GLU 46 N -0.24 0.78 0.01 1.70 2.02 -0.88 -0.54 118.70 121.55 2nwu s GLU 46 Ca 0.05 -1.07 -0.06 0.00 0.02 0.00 0.00 54.97 53.91 2nwu s GLU 46 Cb -0.13 -0.49 -0.00 0.00 0.10 0.00 0.00 34.13 33.62 2nwu s GLU 46 CO 0.02 0.08 0.11 0.00 0.02 0.00 0.00 175.26 175.49 2nwu s ALA 47 N -2.21 -0.22 -0.04 5.21 0.00 -1.00 0.05 121.76 123.55 2nwu s ALA 47 Ca 0.02 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 51.81 2nwu s ALA 47 Cb -0.04 0.15 -0.23 0.00 0.00 0.00 0.00 23.12 22.99 2nwu s ALA 47 CO -0.00 -0.23 0.68 -0.09 0.00 0.00 0.00 175.76 176.12 2nwu h ARG 48 N 4.16 0.02 -6.38 0.00 9.65 -1.87 -2.09 114.38 117.87 2nwu h ARG 48 Ca -0.31 -0.04 -0.66 0.00 -1.10 0.00 0.00 59.98 57.86 2nwu h ARG 48 Cb 1.19 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.64 2nwu h ARG 48 CO 0.43 0.58 -0.70 0.95 2.80 0.00 0.00 179.97 184.04 2nwu s THR 49 N -2.60 3.72 -0.59 0.20 -4.23 -1.26 -4.08 115.64 106.80 2nwu s THR 49 Ca -0.06 -0.99 0.11 0.00 -1.18 0.00 0.00 61.69 59.57 2nwu s THR 49 Cb 0.08 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.31 2nwu s THR 49 CO 0.82 0.21 1.33 0.18 -0.54 0.00 0.00 174.62 176.62 2nwu n LEU 50 N 0.93 0.28 0.27 4.79 4.32 -1.26 -0.58 117.00 125.76 2nwu n LEU 50 Ca -0.13 0.63 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 2nwu n LEU 50 Cb 0.52 -0.67 0.78 0.00 -1.62 0.00 0.00 43.42 42.43 2nwu n LEU 50 CO 0.35 -0.73 1.05 0.11 -1.22 0.00 0.00 177.39 176.95 2nwu h LYS 51 N 0.00 0.00 0.00 3.23 6.56 -1.93 0.32 116.57 124.75 2nwu h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2nwu h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2nwu h LYS 51 CO 0.00 0.05 0.00 -1.13 -2.06 0.00 0.00 179.45 176.31 2nwu n SER 52 N -3.97 0.14 -1.01 0.86 3.41 0.26 -1.22 113.62 112.09 2nwu n SER 52 Ca -0.03 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2nwu n SER 52 Cb 0.14 -0.58 0.28 0.00 -0.26 0.00 0.00 64.21 63.79 2nwu n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nwu n LEU 53 N -1.68 4.10 -0.17 1.04 4.77 0.10 -1.55 117.00 123.61 2nwu n LEU 53 Ca 0.00 -3.01 -0.03 0.00 -0.03 0.00 0.00 56.01 52.95 2nwu n LEU 53 Cb 0.05 -0.56 0.18 0.00 -2.33 0.00 0.00 43.42 40.76 2nwu n LEU 53 CO 0.05 0.67 1.04 0.25 -1.33 0.00 0.00 177.39 178.07 2nwu h LEU 54 N 2.05 0.85 -1.15 2.23 5.85 -1.30 -0.88 115.31 122.97 2nwu h LEU 54 Ca 0.00 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 2nwu h LEU 54 Cb 1.51 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2nwu h LEU 54 CO 0.25 0.77 -0.27 0.11 -0.34 0.00 0.00 178.44 178.96 2nwu h LYS 55 N 0.90 0.00 -0.08 1.25 1.57 -1.83 -1.04 116.57 117.34 2nwu h LYS 55 Ca 0.21 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 2nwu h LYS 55 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 2nwu h LYS 55 CO -0.02 0.27 -0.53 0.35 -0.57 0.00 0.00 179.45 178.95 2nwu h PHE 56 N 0.00 0.69 -0.41 -1.35 -0.00 -1.33 -1.88 116.94 112.67 2nwu h PHE 56 Ca -0.00 -0.32 0.03 0.00 -0.00 0.00 0.00 57.97 57.68 2nwu h PHE 56 Cb 0.75 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 36.56 2nwu h PHE 56 CO 0.00 1.10 0.19 1.25 -0.00 0.00 0.00 178.31 180.86 2nwu h HIS 57 N 0.09 0.35 -0.50 0.41 2.76 -0.77 -2.65 115.15 114.84 2nwu h HIS 57 Ca -0.04 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 2nwu h HIS 57 Cb 1.18 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 2nwu h HIS 57 CO 0.12 0.18 0.09 -0.09 -1.30 0.00 0.00 177.93 176.92 2nwu h ARG 58 N 0.39 0.82 -0.45 5.26 2.43 -1.16 -3.22 114.38 118.46 2nwu h ARG 58 Ca 0.18 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2nwu h ARG 58 Cb 0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2nwu h ARG 58 CO -0.13 0.82 0.00 -0.24 -1.51 0.00 0.00 179.97 178.90 2nwu h VAL 59 N 0.70 1.23 -0.18 0.20 3.04 -1.17 -1.22 116.25 118.85 2nwu h VAL 59 Ca 0.15 -0.96 0.04 0.00 -1.01 0.00 0.00 66.70 64.92 2nwu h VAL 59 Cb 0.39 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2nwu h VAL 59 CO 0.01 0.34 0.12 -0.07 -1.01 0.00 0.00 177.57 176.96 2nwu h LEU 60 N 0.69 0.04 0.07 3.16 3.38 -1.48 -0.49 115.31 120.69 2nwu h LEU 60 Ca 0.14 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 2nwu h LEU 60 Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2nwu h LEU 60 CO 0.02 0.03 -1.17 0.03 0.09 0.00 0.00 178.44 177.43 2nwu h ARG 61 N 0.05 0.16 0.00 1.13 3.08 -1.48 -2.27 114.38 115.05 2nwu h ARG 61 Ca 0.08 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2nwu h ARG 61 Cb 0.26 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2nwu h ARG 61 CO -0.01 1.13 -0.08 -0.91 -1.07 0.00 0.00 179.97 179.04 2nwu h ASN 62 N -0.55 0.00 0.52 7.04 -0.26 -0.97 -0.96 115.58 120.40 2nwu h ASN 62 Ca -0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.47 2nwu h ASN 62 Cb 1.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 2nwu h ASN 62 CO -0.01 0.08 -0.69 -0.62 -1.06 0.00 0.00 177.43 175.14 2nwu n GLU 63 N -4.12 0.13 -3.56 0.81 1.02 -0.22 -4.98 120.64 109.72 2nwu n GLU 63 Ca -0.03 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.93 2nwu n GLU 63 Cb 0.16 -1.56 0.07 0.00 -0.02 0.00 0.00 31.44 30.09 2nwu n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nwu n ARG 64 N -1.73 -6.30 -1.50 3.49 1.74 -0.36 -4.93 116.66 107.06 2nwu n ARG 64 Ca 0.04 0.77 -0.09 0.00 -0.77 0.00 0.00 57.85 57.80 2nwu n ARG 64 Cb 0.38 -5.66 0.10 0.00 -1.02 0.00 0.00 32.46 26.26 2nwu n ARG 64 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2nwu n ILE 65 N -4.35 2.14 0.02 0.55 -5.35 -0.87 -4.80 119.36 106.70 2nwu n ILE 65 Ca -0.22 -3.53 0.00 0.00 -0.27 0.00 0.00 62.75 58.73 2nwu n ILE 65 Cb 0.64 -0.46 0.32 0.00 -1.74 0.00 0.00 39.64 38.41 2nwu n ILE 65 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2nwu h LEU 66 N 1.68 0.44 0.55 7.28 3.38 -1.92 -0.86 115.31 125.86 2nwu h LEU 66 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2nwu h LEU 66 Cb 1.33 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2nwu h LEU 66 CO 0.38 0.52 -0.34 -2.24 0.09 0.00 0.00 178.44 176.85 2nwu h ASP 67 N 0.46 -0.84 -0.78 -0.43 2.03 -1.87 -1.78 116.42 113.21 2nwu h ASP 67 Ca 0.10 0.05 -0.03 0.00 -0.73 0.00 0.00 57.03 56.42 2nwu h ASP 67 Cb 0.32 0.25 -0.04 0.00 -0.83 0.00 0.00 39.33 39.03 2nwu h ASP 67 CO 0.01 -0.53 0.38 -1.28 -1.03 0.00 0.00 179.24 176.79 2nwu h SER 68 N -0.84 1.02 -0.26 4.15 0.87 -1.90 -2.95 113.55 113.64 2nwu h SER 68 Ca -0.07 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2nwu h SER 68 Cb 0.68 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2nwu h SER 68 CO 0.07 0.86 -0.07 0.00 -0.53 0.00 0.00 176.83 177.17 2nwu h ALA 69 N 1.20 1.19 -0.52 6.23 0.00 -1.06 -2.69 119.26 123.61 2nwu h ALA 69 Ca 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2nwu h ALA 69 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2nwu h ALA 69 CO -0.03 0.53 0.15 -0.09 0.00 0.00 0.00 179.25 179.80 2nwu h ARG 70 N 0.58 0.81 -0.37 0.00 2.43 -1.15 -0.41 114.38 116.28 2nwu h ARG 70 Ca 0.11 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2nwu h ARG 70 Cb 0.47 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2nwu h ARG 70 CO 0.02 0.76 -0.08 1.57 -1.51 0.00 0.00 179.97 180.73 2nwu h LYS 71 N 0.71 0.71 -0.73 0.20 2.10 -1.52 -3.13 116.57 114.90 2nwu h LYS 71 Ca 0.16 -0.27 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 2nwu h LYS 71 Cb 0.30 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.55 2nwu h LYS 71 CO -0.00 0.85 0.32 1.88 -2.00 0.00 0.00 179.45 180.50 2nwu h TYR 72 N 0.51 1.08 0.00 0.07 0.05 -1.35 -0.40 116.97 116.93 2nwu h TYR 72 Ca 0.09 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2nwu h TYR 72 Cb 0.59 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2nwu h TYR 72 CO 0.05 0.81 0.00 1.28 -1.05 0.00 0.00 178.16 179.25 2nwu n LEU 73 N -4.38 1.44 0.00 3.88 4.77 -0.18 -1.82 117.00 120.72 2nwu n LEU 73 Ca 0.06 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2nwu n LEU 73 Cb 0.16 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2nwu n LEU 73 CO 0.39 0.26 0.00 1.17 -1.33 0.00 0.00 177.39 177.89 2nwu n LYS 75 N 0.48 0.00 0.00 3.23 4.81 -0.16 -2.96 118.16 123.56 2nwu n LYS 75 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 2nwu n LYS 75 Cb 0.26 0.00 0.67 0.00 0.02 0.00 0.00 35.03 35.98 2nwu n LYS 75 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nwu n GLY 76 N 0.00 -1.20 3.76 3.14 0.00 -0.75 -4.84 105.19 105.30 2nwu n GLY 76 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2nwu n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nwu s ILE 77 N -2.62 3.53 0.18 -0.61 1.01 -1.16 -0.88 121.20 120.66 2nwu s ILE 77 Ca 0.26 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2nwu s ILE 77 Cb 0.20 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2nwu s ILE 77 CO 0.49 0.31 0.00 1.21 0.00 0.00 0.00 174.94 176.95 2nwu n GLU 78 N 1.02 0.00 0.00 2.79 4.07 -0.73 -4.97 120.64 122.82 2nwu n GLU 78 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2nwu n GLU 78 Cb 0.45 -0.28 0.00 0.00 -0.06 0.00 0.00 31.44 31.55 2nwu n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2nwu n GLY 79 N 2.64 1.68 1.66 8.31 0.00 -1.26 -4.91 105.19 113.31 2nwu n GLY 79 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2nwu n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2nwu n ASN 80 N 0.00 3.29 -3.99 1.61 3.02 -1.26 -4.78 115.26 113.15 2nwu n ASN 80 Ca 0.00 -3.73 -0.09 0.00 -0.03 0.00 0.00 54.58 50.74 2nwu n ASN 80 Cb 0.00 -0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 38.35 2nwu n ASN 80 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2nwu s THR 81 N -3.40 0.15 -0.08 3.41 -4.23 -1.26 -0.72 115.64 109.51 2nwu s THR 81 Ca 0.51 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 2nwu s THR 81 Cb 0.44 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 73.46 2nwu s THR 81 CO 0.04 -0.67 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.67 2nwu s ILE 82 N -2.54 1.33 -0.04 2.99 1.01 -0.69 -1.77 121.20 121.47 2nwu s ILE 82 Ca -0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2nwu s ILE 82 Cb -0.02 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.25 2nwu s ILE 82 CO -0.05 0.40 -0.14 0.00 0.00 0.00 0.00 174.94 175.16 2nwu s ALA 83 N 0.73 1.27 0.00 9.38 0.00 -0.06 -0.63 121.76 132.45 2nwu s ALA 83 Ca -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2nwu s ALA 83 Cb -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2nwu s ALA 83 CO 0.03 0.20 0.00 1.97 0.00 0.00 0.00 175.76 177.96 2nwu n PHE 84 N 3.35 0.00 -3.47 0.00 1.16 -0.74 -4.31 117.46 113.46 2nwu n PHE 84 Ca -0.19 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.28 2nwu n PHE 84 Cb 0.53 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.37 2nwu n PHE 84 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2nwu s ILE 86 N -0.92 0.00 -0.00 1.97 -4.36 -0.68 -0.40 121.20 116.80 2nwu s ILE 86 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.09 2nwu s ILE 86 Cb 0.00 -1.00 -0.06 0.00 1.25 0.00 0.00 42.46 42.65 2nwu s ILE 86 CO 0.00 0.00 1.49 -2.28 0.24 0.00 0.00 174.94 174.39 2nwu s HIS 87 N -3.13 2.61 0.08 1.37 5.65 0.16 -1.74 115.29 120.28 2nwu s HIS 87 Ca 0.01 0.62 -0.21 0.00 0.25 0.00 0.00 55.06 55.73 2nwu s HIS 87 Cb -0.01 -3.76 -0.11 0.00 -1.18 0.00 0.00 32.58 27.52 2nwu s HIS 87 CO -0.09 -2.94 1.58 -0.22 -0.65 0.00 0.00 174.74 172.43 2nwu h LYS 88 N 8.25 0.23 -0.41 2.88 3.64 -1.90 -1.26 116.57 128.00 2nwu h LYS 88 Ca -0.38 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2nwu h LYS 88 Cb 1.18 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2nwu h LYS 88 CO 0.92 0.36 -0.08 1.96 -2.27 0.00 0.00 179.45 180.34 2nwu h GLN 89 N 0.06 0.77 0.05 1.90 1.08 -1.96 -0.81 115.11 116.20 2nwu h GLN 89 Ca 0.05 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 56.98 2nwu h GLN 89 Cb 0.22 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2nwu h GLN 89 CO -0.00 0.89 -0.21 0.00 -0.95 0.00 0.00 178.83 178.56 2nwu h ALA 90 N 0.86 -0.31 -0.84 3.87 0.00 -1.82 -1.17 119.26 119.84 2nwu h ALA 90 Ca 0.11 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.17 2nwu h ALA 90 Cb 0.59 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 2nwu h ALA 90 CO 0.04 -0.73 0.39 0.00 0.00 0.00 0.00 179.25 178.95 2nwu h ALA 91 N 0.47 1.26 -0.10 0.00 0.00 -0.46 0.16 119.26 120.58 2nwu h ALA 91 Ca 0.05 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2nwu h ALA 91 Cb 0.42 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2nwu h ALA 91 CO -0.16 -0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.04 2nwu h ALA 92 N 1.59 1.65 -0.54 0.00 0.00 0.11 -0.95 119.26 121.12 2nwu h ALA 92 Ca 0.47 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 2nwu h ALA 92 Cb 0.74 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2nwu h ALA 92 CO -0.41 -0.18 0.14 1.33 0.00 0.00 0.00 179.25 180.13 2nwu n VAL 93 N -3.74 2.69 -1.00 0.00 0.24 0.48 -4.83 118.33 112.17 2nwu n VAL 93 Ca -0.00 -1.99 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 2nwu n VAL 93 Cb 0.23 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2nwu n VAL 93 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2nwu n GLY 94 N -0.55 0.53 3.50 7.63 0.00 -0.36 -5.04 105.19 110.90 2nwu n GLY 94 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 2nwu n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwu s VAL 95 N -2.17 3.86 -0.23 1.61 1.01 -0.74 -4.97 120.40 118.77 2nwu s VAL 95 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 2nwu s VAL 95 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2nwu s VAL 95 CO 0.00 0.50 0.28 -0.22 0.00 0.00 0.00 175.10 175.65 2nwu s LEU 96 N 0.32 4.12 -0.06 3.92 0.20 -1.26 -1.85 118.68 124.07 2nwu s LEU 96 Ca -0.04 0.28 -0.02 0.00 0.69 0.00 0.00 54.13 55.04 2nwu s LEU 96 Cb -0.14 -2.30 0.04 0.00 -0.43 0.00 0.00 46.19 43.36 2nwu s LEU 96 CO 0.03 -0.02 0.10 -0.55 -0.29 0.00 0.00 176.35 175.62 2nwu s SER 97 N 1.16 0.57 0.58 3.68 0.15 -1.26 -5.03 113.70 113.54 2nwu s SER 97 Ca 0.13 0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.82 2nwu s SER 97 Cb -0.14 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.19 2nwu s SER 97 CO 0.07 -0.21 1.04 -0.36 1.20 0.00 0.00 173.24 174.98 2nwu s PHE 98 N 1.81 3.15 0.00 3.44 0.08 -1.26 0.38 117.98 125.58 2nwu s PHE 98 Ca -0.01 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.52 2nwu s PHE 98 Cb -0.12 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.40 2nwu s PHE 98 CO -0.04 -0.91 0.00 1.33 -0.10 0.00 0.00 175.22 175.50 2nwu n VAL 99 N -2.05 0.00 0.00 -0.44 0.24 -1.26 -4.71 118.33 110.10 2nwu n VAL 99 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2nwu n VAL 99 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2nwu n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nwu n ALA 109 N -3.00 0.00 -2.60 2.33 0.00 -1.26 -5.00 120.51 110.98 2nwu n ALA 109 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2nwu n ALA 109 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2nwu n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nwu s ILE 110 N -1.79 4.97 -0.16 0.00 -1.09 -0.71 -4.62 121.20 117.80 2nwu s ILE 110 Ca 0.00 0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 59.06 2nwu s ILE 110 Cb 0.00 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2nwu s ILE 110 CO 0.00 -0.12 0.31 -0.54 -1.23 0.00 0.00 174.94 173.37 2nwu s LYS 111 N 2.53 4.27 -0.09 2.79 3.01 0.25 -1.69 119.74 130.79 2nwu s LYS 111 Ca 0.24 0.13 0.01 0.00 -1.01 0.00 0.00 55.97 55.33 2nwu s LYS 111 Cb -0.15 -3.43 -0.02 0.00 -1.01 0.00 0.00 37.83 33.22 2nwu s LYS 111 CO 0.12 0.22 -0.11 -0.06 0.51 0.00 0.00 175.35 176.02 2nwu s PHE 112 N 0.52 2.82 -0.06 3.18 0.08 0.46 -0.96 117.98 124.01 2nwu s PHE 112 Ca 0.17 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 2nwu s PHE 112 Cb -0.13 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 2nwu s PHE 112 CO 0.04 0.04 -0.00 0.71 -0.10 0.00 0.00 175.22 175.91 2nwu s TYR 113 N -0.23 0.56 -0.13 0.36 2.02 -1.26 -1.79 117.35 116.89 2nwu s TYR 113 Ca 0.02 -0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2nwu s TYR 113 Cb -0.13 -0.68 -0.00 0.00 -0.40 0.00 0.00 41.96 40.75 2nwu s TYR 113 CO 0.03 -0.25 -0.19 0.42 -1.57 0.00 0.00 175.55 173.99 2nwu s ILE 114 N 1.62 2.45 -0.49 2.71 1.01 0.20 -4.40 121.20 124.30 2nwu s ILE 114 Ca -0.01 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2nwu s ILE 114 Cb -0.13 -1.99 0.09 0.00 0.01 0.00 0.00 42.46 40.44 2nwu s ILE 114 CO -0.03 0.54 0.42 -0.70 0.00 0.00 0.00 174.94 175.16 2nwu s GLU 115 N 0.54 2.98 -0.19 2.79 2.56 -0.35 -1.71 118.70 125.32 2nwu s GLU 115 Ca -0.12 -1.43 -0.16 0.00 0.00 0.00 0.00 54.97 53.26 2nwu s GLU 115 Cb -0.16 -4.17 0.05 0.00 2.00 0.00 0.00 34.13 31.85 2nwu s GLU 115 CO 0.04 -1.09 0.50 -0.47 -0.56 0.00 0.00 175.26 173.68 2nwu s TYR 116 N 1.63 -0.58 0.20 5.30 5.04 0.11 -3.41 117.35 125.63 2nwu s TYR 116 Ca 0.04 1.37 -0.11 0.00 -2.44 0.00 0.00 57.07 55.93 2nwu s TYR 116 Cb -0.26 0.22 0.14 0.00 0.35 0.00 0.00 41.96 42.41 2nwu s TYR 116 CO 0.06 -0.29 1.85 0.37 -1.34 0.00 0.00 175.55 176.21 2nwu h GLN 117 N 5.64 0.84 -3.18 4.97 5.75 -1.96 -3.32 115.11 123.85 2nwu h GLN 117 Ca -0.29 -0.05 -0.68 0.00 -0.15 0.00 0.00 58.65 57.48 2nwu h GLN 117 Cb 1.18 -0.19 -0.37 0.00 1.07 0.00 0.00 27.48 29.17 2nwu h GLN 117 CO 0.20 0.55 -0.21 0.09 -2.65 0.00 0.00 178.83 176.81 2nwu n ASN 118 N -4.65 3.96 -0.35 -0.69 4.13 -1.26 -4.80 115.26 111.59 2nwu n ASN 118 Ca 0.06 -3.18 0.13 0.00 1.68 0.00 0.00 54.58 53.27 2nwu n ASN 118 Cb 0.04 -0.96 0.32 0.00 -1.54 0.00 0.00 39.78 37.64 2nwu n ASN 118 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2nwu h PRO 119 N 5.71 0.75 -0.86 3.52 0.13 -1.86 -1.18 132.00 138.21 2nwu h PRO 119 Ca 0.16 -0.05 0.13 0.00 -0.87 0.00 0.00 66.00 65.38 2nwu h PRO 119 Cb 0.78 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.67 2nwu h PRO 119 CO 0.84 0.50 0.56 -0.22 -0.23 0.00 0.00 178.00 179.44 2nwu h LYS 120 N 0.78 0.68 0.00 0.86 1.63 -1.94 0.11 116.57 118.69 2nwu h LYS 120 Ca 0.58 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.33 2nwu h LYS 120 Cb 0.88 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2nwu h LYS 120 CO -0.38 0.45 -0.02 0.93 -3.45 0.00 0.00 179.45 176.99 2nwu h GLU 121 N 0.70 0.00 0.24 1.90 5.08 -1.64 -2.03 114.58 118.83 2nwu h GLU 121 Ca 0.42 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.44 2nwu h GLU 121 Cb 0.63 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.91 2nwu h GLU 121 CO -0.18 0.02 -1.57 0.82 -1.00 0.00 0.00 179.01 177.09 2nwu h ILE 122 N 0.00 1.17 -0.52 3.13 2.04 -0.86 -2.45 117.51 120.02 2nwu h ILE 122 Ca -0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 64.86 63.17 2nwu h ILE 122 Cb 0.30 2.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 2nwu h ILE 122 CO 0.00 0.83 0.11 0.58 0.00 0.00 0.00 178.15 179.66 2nwu h VAL 123 N 0.13 1.25 0.00 1.67 2.07 -1.17 -2.42 116.25 117.78 2nwu h VAL 123 Ca -0.29 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.23 2nwu h VAL 123 Cb 2.15 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2nwu h VAL 123 CO 0.25 0.33 -0.48 0.44 0.02 0.00 0.00 177.57 178.12 2nwu h ASP 124 N 0.74 0.00 -0.15 0.57 3.32 -1.49 0.77 116.42 120.18 2nwu h ASP 124 Ca 0.16 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2nwu h ASP 124 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2nwu h ASP 124 CO 0.01 0.48 -0.07 -0.25 -1.72 0.00 0.00 179.24 177.69 2nwu h TRP 125 N 0.00 0.35 0.00 4.55 7.01 -1.13 -3.32 115.95 123.41 2nwu h TRP 125 Ca -0.00 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.91 2nwu h TRP 125 Cb 0.94 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2nwu h TRP 125 CO 0.00 0.63 -1.70 1.47 -2.79 0.00 0.00 178.44 176.05 2nwu n LEU 126 N -4.65 0.22 -3.40 0.65 -0.00 -0.94 -4.69 117.00 104.19 2nwu n LEU 126 Ca -0.06 -0.12 -0.26 0.00 -0.00 0.00 0.00 56.01 55.58 2nwu n LEU 126 Cb 0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.63 2nwu n LEU 126 CO 0.38 0.05 -0.15 0.00 -0.00 0.00 0.00 177.39 177.67 2nwu n ALA 127 N -2.04 3.16 -1.53 1.47 0.00 0.27 -4.89 120.51 116.95 2nwu n ALA 127 Ca -0.02 -3.94 -0.31 0.00 0.00 0.00 0.00 53.44 49.16 2nwu n ALA 127 Cb 0.48 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.12 2nwu n ALA 127 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2nwu s PRO 128 N -1.42 2.90 0.83 0.00 0.02 -1.25 -4.38 135.00 131.70 2nwu s PRO 128 Ca 0.35 1.07 -0.11 0.00 0.02 0.00 0.00 61.00 62.33 2nwu s PRO 128 Cb 0.11 -1.98 0.10 0.00 0.02 0.00 0.00 34.50 32.75 2nwu s PRO 128 CO -0.10 -1.14 1.12 0.15 -0.33 0.00 0.00 177.00 176.70 2nwu s LYS 129 N -4.75 1.70 0.06 5.54 1.02 -1.26 -4.71 119.74 117.34 2nwu s LYS 129 Ca 0.60 1.37 0.01 0.00 0.02 0.00 0.00 55.97 57.97 2nwu s LYS 129 Cb -0.15 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 2nwu s LYS 129 CO 0.50 -2.09 -0.06 0.95 -0.92 0.00 0.00 175.35 173.73 2nwu s THR 130 N -2.75 0.49 -0.25 2.17 -4.23 -1.26 -1.36 115.64 108.45 2nwu s THR 130 Ca 0.64 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 2nwu s THR 130 Cb -0.20 -1.00 0.06 0.00 1.34 0.00 0.00 72.50 72.71 2nwu s THR 130 CO 0.56 -0.62 -0.06 0.00 -0.54 0.00 0.00 174.62 173.96 2nwu s ALA 131 N -2.38 2.22 -1.46 3.99 0.00 -0.16 -4.70 121.76 119.27 2nwu s ALA 131 Ca -0.02 -1.59 -0.08 0.00 0.00 0.00 0.00 51.96 50.27 2nwu s ALA 131 Cb -0.03 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.58 2nwu s ALA 131 CO -0.03 -1.25 0.90 0.72 0.00 0.00 0.00 175.76 176.11 2nwu n HIS 132 N 4.57 -2.40 0.00 0.00 8.25 -1.26 -1.48 115.22 122.90 2nwu n HIS 132 Ca -0.11 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.13 2nwu n HIS 132 Cb 0.43 -4.58 0.00 0.00 1.12 0.00 0.00 29.99 26.96 2nwu n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nwu n GLY 133 N -1.74 2.62 3.70 -1.41 0.00 -1.26 -5.02 105.19 102.08 2nwu n GLY 133 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2nwu n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwu s VAL 134 N -2.17 4.95 0.14 1.61 1.01 -0.55 -5.00 120.40 120.40 2nwu s VAL 134 Ca 0.00 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 2nwu s VAL 134 Cb 0.00 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 2nwu s VAL 134 CO 0.00 0.14 1.68 -2.84 0.00 0.00 0.00 175.10 174.09 2nwu s PRO 135 N 1.37 4.17 0.24 2.72 0.02 -1.26 -0.99 135.00 141.27 2nwu s PRO 135 Ca 0.41 2.46 0.24 0.00 0.02 0.00 0.00 61.00 64.13 2nwu s PRO 135 Cb -0.18 -3.34 0.92 0.00 0.02 0.00 0.00 34.50 31.93 2nwu s PRO 135 CO 0.18 -0.72 1.73 1.28 -0.33 0.00 0.00 177.00 179.14 2nwu n LEU 136 N 4.73 0.70 -3.59 -5.54 4.77 -0.46 -4.84 117.00 112.77 2nwu n LEU 136 Ca 0.16 0.63 -0.10 0.00 -0.03 0.00 0.00 56.01 56.67 2nwu n LEU 136 Cb 0.38 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2nwu n LEU 136 CO 0.63 -0.42 0.41 -1.66 -1.33 0.00 0.00 177.39 175.01 2nwu s TRP 137 N -3.24 -0.39 -0.42 -1.77 -2.14 -1.26 -5.05 118.94 104.67 2nwu s TRP 137 Ca 0.06 0.09 0.05 0.00 2.66 0.00 0.00 56.10 58.97 2nwu s TRP 137 Cb 0.10 0.58 0.19 0.00 -3.10 0.00 0.00 33.47 31.25 2nwu s TRP 137 CO 0.46 -0.97 0.44 -3.47 -2.66 0.00 0.00 176.95 170.74 2nwu n ASP 138 N -0.40 -0.66 -4.80 -2.66 2.03 -1.26 -4.83 116.55 103.96 2nwu n ASP 138 Ca -0.12 -2.53 -0.32 0.00 0.52 0.00 0.00 54.79 52.33 2nwu n ASP 138 Cb 0.63 -0.30 0.02 0.00 -0.72 0.00 0.00 41.12 40.75 2nwu n ASP 138 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2nwu s ASN 139 N -0.24 5.65 0.70 1.67 0.01 -1.26 -5.05 114.94 116.43 2nwu s ASN 139 Ca 0.33 1.79 -0.11 0.00 -0.71 0.00 0.00 52.86 54.16 2nwu s ASN 139 Cb 0.08 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.22 2nwu s ASN 139 CO -0.17 -1.26 1.07 -2.16 -1.51 0.00 0.00 177.10 173.08 2nwu s PRO 140 N -4.25 2.89 0.16 -0.60 0.04 -1.26 -4.89 135.00 127.09 2nwu s PRO 140 Ca 0.63 0.74 -0.34 0.00 0.04 0.00 0.00 61.00 62.07 2nwu s PRO 140 Cb -0.16 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.24 2nwu s PRO 140 CO 0.41 -1.07 1.55 1.33 0.04 0.00 0.00 177.00 179.26 2nwu n VAL 141 N -3.08 0.08 -1.66 -0.36 0.24 -1.26 -4.88 118.33 107.41 2nwu n VAL 141 Ca 0.07 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.97 2nwu n VAL 141 Cb 0.55 -1.50 0.05 0.00 -1.47 0.00 0.00 33.84 31.46 2nwu n VAL 141 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2nwu n PRO 142 N 3.26 1.16 0.00 7.34 -0.02 -1.26 -5.12 135.00 140.36 2nwu n PRO 142 Ca 0.17 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2nwu n PRO 142 Cb 0.29 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2nwu n PRO 142 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13