#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 1.06 0.43 -1.24 -2.85 -0.75 -4.78 119.74 111.61 2nwu s LYS 3 Ca 0.00 -0.51 0.07 0.00 -1.00 0.00 0.00 55.97 54.53 2nwu s LYS 3 Cb 0.00 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2nwu s LYS 3 CO 0.00 -0.48 0.19 0.08 0.10 0.00 0.00 175.35 175.25 2nwu s VAL 4 N -3.26 2.17 -0.30 1.79 1.01 -0.16 -0.65 120.40 121.00 2nwu s VAL 4 Ca 0.09 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.21 2nwu s VAL 4 Cb -0.01 -2.86 0.18 0.00 0.00 0.00 0.00 36.38 33.69 2nwu s VAL 4 CO -0.03 0.00 1.14 -0.69 0.00 0.00 0.00 175.10 175.52 2nwu s VAL 6 N -2.63 -0.04 -0.10 2.92 1.01 0.25 -0.26 120.40 121.55 2nwu s VAL 6 Ca 0.38 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2nwu s VAL 6 Cb 0.03 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.42 2nwu s VAL 6 CO 0.21 0.00 -0.21 -0.69 0.00 0.00 0.00 175.10 174.41 2nwu s VAL 7 N 1.31 1.83 -0.00 2.92 1.01 -0.23 0.60 120.40 127.84 2nwu s VAL 7 Ca -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 2nwu s VAL 7 Cb -0.03 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2nwu s VAL 7 CO -0.13 0.51 0.07 0.00 0.00 0.00 0.00 175.10 175.55 2nwu s ALA 8 N 0.53 -0.14 0.23 5.51 0.00 -0.51 -1.14 121.76 126.24 2nwu s ALA 8 Ca -0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 2nwu s ALA 8 Cb -0.17 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 2nwu s ALA 8 CO 0.06 -0.14 0.61 -1.21 0.00 0.00 0.00 175.76 175.07 2nwu s GLU 9 N -1.00 3.93 -0.31 0.00 2.02 -1.26 0.25 118.70 122.33 2nwu s GLU 9 Ca -0.11 0.48 0.01 0.00 0.02 0.00 0.00 54.97 55.37 2nwu s GLU 9 Cb -0.06 -2.68 0.09 0.00 0.10 0.00 0.00 34.13 31.58 2nwu s GLU 9 CO 0.00 0.32 0.07 0.08 0.02 0.00 0.00 175.26 175.75 2nwu s VAL 10 N -1.75 1.35 0.73 2.63 1.01 0.27 -4.91 120.40 119.73 2nwu s VAL 10 Ca 0.47 -1.64 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 2nwu s VAL 10 Cb -0.12 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.32 2nwu s VAL 10 CO 0.20 -0.58 1.08 -0.13 0.00 0.00 0.00 175.10 175.66 2nwu s ARG 11 N 1.39 2.67 0.55 2.72 1.81 -1.26 -1.76 118.95 125.07 2nwu s ARG 11 Ca 0.08 0.74 0.27 0.00 -1.72 0.00 0.00 55.73 55.10 2nwu s ARG 11 Cb -0.18 -1.98 1.46 0.00 -0.45 0.00 0.00 34.95 33.81 2nwu s ARG 11 CO -0.18 -1.23 2.00 -1.35 -0.68 0.00 0.00 175.30 173.86 2nwu h PRO 12 N -0.81 0.00 -0.00 3.54 0.11 -2.00 0.15 132.00 132.99 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nwu h PRO 12 CO 0.59 0.00 -0.30 -1.13 -0.21 0.00 0.00 178.00 176.96 2nwu n SER 13 N -4.15 0.49 -4.95 -2.05 3.41 -1.26 -4.92 113.62 100.19 2nwu n SER 13 Ca 0.08 -0.27 -0.24 0.00 -0.26 0.00 0.00 58.87 58.18 2nwu n SER 13 Cb 0.56 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.82 3.48 -0.29 4.33 2.02 0.52 -5.09 118.70 120.85 2nwu s GLU 14 Ca 0.17 -0.42 -0.07 0.00 0.02 0.00 0.00 54.97 54.67 2nwu s GLU 14 Cb 0.19 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2nwu s GLU 14 CO 0.60 0.24 0.09 0.34 0.02 0.00 0.00 175.26 176.54 2nwu s ASP 15 N -3.91 5.17 0.48 -0.19 2.15 -1.26 -4.78 116.67 114.34 2nwu s ASP 15 Ca 0.39 -0.64 0.26 0.00 0.43 0.00 0.00 52.55 52.98 2nwu s ASP 15 Cb -0.10 -1.90 1.32 0.00 -0.30 0.00 0.00 42.92 41.94 2nwu s ASP 15 CO 0.34 -0.18 1.85 1.62 -0.17 0.00 0.00 175.17 178.62 2nwu h VAL 16 N 5.81 0.56 -0.25 1.11 3.04 -1.97 0.33 116.25 124.89 2nwu h VAL 16 Ca -0.32 -0.06 -0.10 0.00 -1.01 0.00 0.00 66.70 65.21 2nwu h VAL 16 Cb 1.13 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2nwu h VAL 16 CO 0.60 0.03 -0.27 0.78 -1.01 0.00 0.00 177.57 177.71 2nwu h ASN 17 N 0.18 0.48 0.25 3.17 2.35 -1.98 0.11 115.58 120.13 2nwu h ASN 17 Ca 0.49 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 2nwu h ASN 17 Cb 1.61 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.84 2nwu h ASN 17 CO -0.11 0.74 -0.66 0.11 -1.65 0.00 0.00 177.43 175.86 2nwu h LYS 18 N 0.42 0.38 -0.25 0.81 1.57 -0.77 -0.48 116.57 118.25 2nwu h LYS 18 Ca 0.06 -0.28 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 2nwu h LYS 18 Cb 0.69 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2nwu h LYS 18 CO 0.05 0.91 -0.59 0.28 -0.57 0.00 0.00 179.45 179.53 2nwu h VAL 19 N 0.27 1.28 -0.44 0.50 2.07 -1.10 -0.85 116.25 117.99 2nwu h VAL 19 Ca -0.02 -1.79 -0.11 0.00 0.82 0.00 0.00 66.70 65.61 2nwu h VAL 19 Cb 1.21 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2nwu h VAL 19 CO 0.11 0.58 -0.16 -0.07 0.02 0.00 0.00 177.57 178.05 2nwu h LEU 20 N 0.61 0.84 -0.58 2.57 3.38 -0.71 -2.10 115.31 119.31 2nwu h LEU 20 Ca 0.00 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 2nwu h LEU 20 Cb 1.19 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2nwu h LEU 20 CO 0.13 1.00 0.05 -1.28 0.09 0.00 0.00 178.44 178.43 2nwu h SER 21 N 0.75 0.96 -0.57 -0.43 0.87 -0.99 -0.18 113.55 113.96 2nwu h SER 21 Ca 0.11 -0.28 0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2nwu h SER 21 Cb 0.68 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 2nwu h SER 21 CO 0.05 1.00 0.24 0.00 -0.53 0.00 0.00 176.83 177.59 2nwu h ALA 22 N 0.99 0.73 -0.24 6.23 0.00 -0.81 -1.99 119.26 124.18 2nwu h ALA 22 Ca 0.17 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 2nwu h ALA 22 Cb 0.48 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nwu h ALA 22 CO 0.02 -0.15 -0.53 0.82 0.00 0.00 0.00 179.25 179.41 2nwu h ILE 23 N 0.44 1.30 -0.16 0.00 2.04 -1.16 -3.06 117.51 116.91 2nwu h ILE 23 Ca 0.27 -1.74 0.05 0.00 1.00 0.00 0.00 64.86 64.44 2nwu h ILE 23 Cb 0.28 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2nwu h ILE 23 CO -0.25 0.55 0.29 0.28 0.00 0.00 0.00 178.15 179.02 2nwu h SER 24 N 0.53 0.00 0.46 1.72 0.02 -0.26 -0.04 113.55 115.98 2nwu h SER 24 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 2nwu h SER 24 Cb 1.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 2nwu h SER 24 CO 0.11 0.00 -0.08 0.78 -1.14 0.00 0.00 176.83 176.50 2nwu h ASN 25 N 0.00 0.00 0.00 3.07 -0.26 -1.40 -3.33 115.58 113.66 2nwu h ASN 25 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2nwu h ASN 25 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 2nwu h ASN 25 CO -0.00 0.08 0.00 0.49 -1.06 0.00 0.00 177.43 176.94 2nwu n PHE 26 N -3.41 0.00 -3.77 1.19 3.72 -0.20 -4.59 117.46 110.40 2nwu n PHE 26 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2nwu n PHE 26 Cb 0.23 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.16 -0.30 -0.41 1.38 5.36 -0.22 -3.13 117.98 120.49 2nwu s PHE 27 Ca 0.00 0.74 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2nwu s PHE 27 Cb 0.00 0.10 0.11 0.00 -0.34 0.00 0.00 43.02 42.88 2nwu s PHE 27 CO 0.00 -0.16 0.20 -0.51 -1.46 0.00 0.00 175.22 173.29 2nwu s ASP 28 N 0.36 5.26 0.62 6.13 1.01 -0.73 -3.96 116.67 125.36 2nwu s ASP 28 Ca -0.02 -2.01 -0.15 0.00 0.71 0.00 0.00 52.55 51.08 2nwu s ASP 28 Cb -0.03 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 2nwu s ASP 28 CO -0.01 -0.54 1.07 0.72 0.21 0.00 0.00 175.17 176.62 2nwu s PHE 29 N 1.15 2.89 -0.11 4.23 -0.12 -1.26 -4.72 117.98 120.04 2nwu s PHE 29 Ca 0.08 1.52 0.16 0.00 -0.05 0.00 0.00 56.93 58.63 2nwu s PHE 29 Cb -0.23 -3.04 -0.23 0.00 -0.63 0.00 0.00 43.02 38.89 2nwu s PHE 29 CO -0.04 -1.30 0.38 0.39 -0.05 0.00 0.00 175.22 174.61 2nwu n GLU 30 N -2.27 0.67 -1.80 1.99 1.02 -0.29 -4.97 120.64 114.99 2nwu n GLU 30 Ca 0.09 -0.12 -0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2nwu n GLU 30 Cb 0.53 -1.35 0.01 0.00 -0.02 0.00 0.00 31.44 30.60 2nwu n GLU 30 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2nwu n LYS 31 N -1.95 0.18 -3.59 3.49 2.85 -1.11 -5.05 118.16 112.98 2nwu n LYS 31 Ca -0.02 -0.37 -0.06 0.00 -1.05 0.00 0.00 58.31 56.80 2nwu n LYS 31 Cb 0.38 0.48 -0.02 0.00 -0.65 0.00 0.00 35.03 35.23 2nwu n LYS 31 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2nwu s ASN 33 N -1.48 -0.29 0.05 -5.58 0.01 -0.59 -2.24 114.94 104.81 2nwu s ASN 33 Ca 0.04 -0.13 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2nwu s ASN 33 Cb -0.01 0.41 -0.03 0.00 0.41 0.00 0.00 41.25 42.03 2nwu s ASN 33 CO 0.02 -0.70 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.01 2nwu s THR 34 N -3.15 0.20 0.00 1.60 2.01 -1.26 -2.18 115.64 112.86 2nwu s THR 34 Ca 0.08 -1.64 0.00 0.00 0.31 0.00 0.00 61.69 60.44 2nwu s THR 34 Cb -0.01 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.15 2nwu s THR 34 CO -0.05 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 173.58 2nwu n GLY 38 N 0.29 0.00 0.81 4.40 0.00 -1.26 -4.55 105.19 104.88 2nwu n GLY 38 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.31 -4.34 -0.61 -5.35 -1.26 -4.87 119.36 103.23 2nwu n ILE 39 Ca 0.00 -0.51 -0.34 0.00 -0.27 0.00 0.00 62.75 61.63 2nwu n ILE 39 Cb 0.00 0.68 -0.12 0.00 -1.74 0.00 0.00 39.64 38.47 2nwu n ILE 39 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 2nwu s ILE 40 N -1.69 4.07 0.32 7.28 -4.36 -1.26 -4.31 121.20 121.23 2nwu s ILE 40 Ca 0.35 -0.30 -0.16 0.00 -0.26 0.00 0.00 60.65 60.28 2nwu s ILE 40 Cb 0.20 -2.78 -0.09 0.00 1.25 0.00 0.00 42.46 41.03 2nwu s ILE 40 CO 0.29 0.50 0.74 -1.81 0.24 0.00 0.00 174.94 174.90 2nwu s ASP 41 N 0.26 6.81 -0.19 4.36 1.11 -0.72 -4.91 116.67 123.38 2nwu s ASP 41 Ca -0.02 1.31 -0.01 0.00 0.18 0.00 0.00 52.55 54.01 2nwu s ASP 41 Cb -0.14 -2.38 0.01 0.00 1.07 0.00 0.00 42.92 41.48 2nwu s ASP 41 CO 0.02 -0.19 -0.14 -0.63 1.18 0.00 0.00 175.17 175.41 2nwu s ILE 42 N -1.94 2.55 -0.24 0.77 -1.09 -1.26 -0.56 121.20 119.42 2nwu s ILE 42 Ca 0.53 -0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 58.03 2nwu s ILE 42 Cb -0.11 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2nwu s ILE 42 CO 0.18 0.50 0.35 -0.22 -1.23 0.00 0.00 174.94 174.52 2nwu s LEU 43 N 1.31 4.09 -0.27 2.97 2.96 0.14 -4.34 118.68 125.53 2nwu s LEU 43 Ca 0.04 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2nwu s LEU 43 Cb -0.14 -2.41 0.05 0.00 0.50 0.00 0.00 46.19 44.19 2nwu s LEU 43 CO -0.08 -0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.10 2nwu s VAL 44 N 1.64 2.73 -0.05 1.68 1.01 -0.93 -1.43 120.40 125.06 2nwu s VAL 44 Ca 0.15 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.79 2nwu s VAL 44 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 2nwu s VAL 44 CO 0.08 0.00 -0.06 -0.76 0.00 0.00 0.00 175.10 174.36 2nwu s LEU 45 N 1.23 3.21 0.04 3.92 1.02 0.20 -1.55 118.68 126.76 2nwu s LEU 45 Ca -0.05 -0.03 -0.14 0.00 0.02 0.00 0.00 54.13 53.93 2nwu s LEU 45 Cb -0.19 -1.73 0.02 0.00 0.02 0.00 0.00 46.19 44.31 2nwu s LEU 45 CO -0.03 0.35 0.31 -1.83 0.02 0.00 0.00 176.35 175.17 2nwu s GLU 46 N -0.95 0.82 0.06 1.70 -1.05 -0.95 0.85 118.70 119.18 2nwu s GLU 46 Ca 0.14 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 2nwu s GLU 46 Cb -0.11 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2nwu s GLU 46 CO 0.03 -0.26 -0.04 0.00 0.95 0.00 0.00 175.26 175.93 2nwu s ALA 47 N -2.55 0.57 -0.29 -0.84 0.00 0.64 -1.14 121.76 118.13 2nwu s ALA 47 Ca -0.05 -1.10 0.19 0.00 0.00 0.00 0.00 51.96 51.01 2nwu s ALA 47 Cb -0.01 0.20 -0.27 0.00 0.00 0.00 0.00 23.12 23.04 2nwu s ALA 47 CO -0.03 -0.27 0.55 -2.13 0.00 0.00 0.00 175.76 173.88 2nwu n ARG 48 N 0.45 0.63 -4.19 0.00 3.00 -1.26 -0.99 116.66 114.30 2nwu n ARG 48 Ca -0.16 -0.12 -0.31 0.00 -0.00 0.00 0.00 57.85 57.25 2nwu n ARG 48 Cb 0.59 -1.45 -0.08 0.00 0.00 0.00 0.00 32.46 31.53 2nwu n ARG 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2nwu s THR 49 N -3.19 4.10 -0.83 5.15 -1.32 -1.26 -4.65 115.64 113.64 2nwu s THR 49 Ca -0.03 -0.82 0.23 0.00 -1.21 0.00 0.00 61.69 59.86 2nwu s THR 49 Cb 0.13 -2.90 0.21 0.00 -1.51 0.00 0.00 72.50 68.43 2nwu s THR 49 CO 0.81 0.23 1.70 0.18 -2.21 0.00 0.00 174.62 175.33 2nwu n LEU 50 N 0.90 0.31 0.16 9.08 4.77 -1.25 -2.51 117.00 128.46 2nwu n LEU 50 Ca -0.12 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2nwu n LEU 50 Cb 0.52 -0.48 0.57 0.00 -2.33 0.00 0.00 43.42 41.70 2nwu n LEU 50 CO 0.37 -0.24 0.87 0.11 -1.33 0.00 0.00 177.39 177.17 2nwu h LYS 51 N 0.00 0.00 0.00 3.23 1.57 -1.92 -1.60 116.57 117.85 2nwu h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2nwu h LYS 51 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2nwu h LYS 51 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 2nwu n SER 52 N -2.34 0.00 -0.76 0.86 3.41 -1.04 -1.97 113.62 111.77 2nwu n SER 52 Ca 0.01 0.42 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 2nwu n SER 52 Cb 0.16 -0.46 0.19 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.46 3.23 0.12 1.04 4.77 -0.60 -1.78 117.00 122.32 2nwu n LEU 53 Ca 0.04 -2.20 0.07 0.00 -0.03 0.00 0.00 56.01 53.88 2nwu n LEU 53 Cb 0.14 -0.32 0.54 0.00 -2.33 0.00 0.00 43.42 41.45 2nwu n LEU 53 CO 0.11 0.74 1.12 -0.07 -1.33 0.00 0.00 177.39 177.96 2nwu h LEU 54 N 2.19 0.23 -0.47 2.23 3.38 -1.55 -0.19 115.31 121.13 2nwu h LEU 54 Ca 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2nwu h LEU 54 Cb 0.90 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2nwu h LEU 54 CO 0.05 0.16 -0.29 0.11 0.09 0.00 0.00 178.44 178.57 2nwu h LYS 55 N 0.27 0.95 -0.01 1.13 1.57 -1.82 -0.26 116.57 118.40 2nwu h LYS 55 Ca 0.09 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2nwu h LYS 55 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 2nwu h LYS 55 CO -0.02 1.11 0.00 0.35 -0.57 0.00 0.00 179.45 180.32 2nwu h PHE 56 N 0.80 0.01 -0.79 -1.35 3.57 -1.29 -0.58 116.94 117.32 2nwu h PHE 56 Ca 0.09 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2nwu h PHE 56 Cb 0.87 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 2nwu h PHE 56 CO 0.06 0.04 0.44 1.25 -2.23 0.00 0.00 178.31 177.86 2nwu h HIS 57 N -0.03 0.79 -0.21 0.41 2.76 -0.86 -2.04 115.15 115.97 2nwu h HIS 57 Ca 0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 2nwu h HIS 57 Cb 0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 2nwu h HIS 57 CO -0.07 0.32 -0.06 -0.09 -1.30 0.00 0.00 177.93 176.74 2nwu h ARG 58 N 0.74 0.42 -0.93 5.26 1.12 -0.45 -3.22 114.38 117.32 2nwu h ARG 58 Ca 0.38 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 59.09 2nwu h ARG 58 Cb 0.35 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.24 2nwu h ARG 58 CO -0.25 0.66 0.60 0.28 -3.11 0.00 0.00 179.97 178.15 2nwu h VAL 59 N 0.14 1.24 -0.44 0.20 2.07 -0.76 -0.50 116.25 118.20 2nwu h VAL 59 Ca 0.05 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2nwu h VAL 59 Cb 0.51 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2nwu h VAL 59 CO 0.02 0.24 0.16 -0.07 0.02 0.00 0.00 177.57 177.95 2nwu h LEU 60 N 1.26 0.58 0.06 2.57 3.38 -1.41 -1.11 115.31 120.64 2nwu h LEU 60 Ca 0.34 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 2nwu h LEU 60 Cb -0.12 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.50 2nwu h LEU 60 CO -0.07 0.53 -0.48 0.03 0.09 0.00 0.00 178.44 178.54 2nwu h ARG 61 N 0.63 0.23 -0.22 1.13 3.08 -1.48 -1.59 114.38 116.16 2nwu h ARG 61 Ca 0.15 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2nwu h ARG 61 Cb 0.15 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2nwu h ARG 61 CO -0.01 1.09 0.10 -0.91 -1.07 0.00 0.00 179.97 179.17 2nwu h ASN 62 N -0.48 0.15 -0.00 7.04 4.21 -0.95 -2.24 115.58 123.31 2nwu h ASN 62 Ca -0.08 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2nwu h ASN 62 Cb 1.31 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2nwu h ASN 62 CO 0.09 0.12 -0.00 -0.62 -1.29 0.00 0.00 177.43 175.73 2nwu n GLU 63 N -5.00 1.23 -3.75 0.81 -0.58 -0.43 -4.95 120.64 107.96 2nwu n GLU 63 Ca -0.02 -0.34 -0.34 0.00 -0.42 0.00 0.00 57.16 56.04 2nwu n GLU 63 Cb 0.06 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2nwu n GLU 63 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2nwu n ARG 64 N -0.59 -1.03 -0.79 3.49 1.74 -0.84 -4.92 116.66 113.72 2nwu n ARG 64 Ca 0.22 0.42 0.06 0.00 -0.77 0.00 0.00 57.85 57.78 2nwu n ARG 64 Cb 0.20 -3.76 0.14 0.00 -1.02 0.00 0.00 32.46 28.01 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 -4.23 1.45 -0.19 0.55 -5.35 -0.63 -4.87 119.36 106.08 2nwu n ILE 65 Ca -0.10 -2.35 -0.02 0.00 -0.27 0.00 0.00 62.75 60.01 2nwu n ILE 65 Cb 0.59 0.14 0.08 0.00 -1.74 0.00 0.00 39.64 38.71 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 0.84 0.34 -0.56 7.28 3.38 -1.91 -1.23 115.31 123.45 2nwu h LEU 66 Ca -0.06 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2nwu h LEU 66 Cb 1.27 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2nwu h LEU 66 CO 0.03 0.22 0.31 0.44 0.09 0.00 0.00 178.44 179.53 2nwu h ASP 67 N 0.49 0.47 -0.39 -0.43 3.45 -1.89 -0.56 116.42 117.56 2nwu h ASP 67 Ca 0.27 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.70 2nwu h ASP 67 Cb 0.25 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 2nwu h ASP 67 CO -0.23 0.32 0.03 -1.28 -1.57 0.00 0.00 179.24 176.51 2nwu h SER 68 N 0.60 0.65 -0.44 6.45 0.87 -1.84 -2.81 113.55 117.01 2nwu h SER 68 Ca 0.24 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2nwu h SER 68 Cb 0.11 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2nwu h SER 68 CO -0.15 0.77 0.16 0.00 -0.53 0.00 0.00 176.83 177.09 2nwu h ALA 69 N 0.90 0.57 -0.40 6.23 0.00 -0.84 -2.62 119.26 123.10 2nwu h ALA 69 Ca 0.11 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2nwu h ALA 69 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2nwu h ALA 69 CO 0.01 0.19 0.11 -0.09 0.00 0.00 0.00 179.25 179.48 2nwu h ARG 70 N 0.57 0.24 0.21 0.00 2.43 -1.09 0.39 114.38 117.13 2nwu h ARG 70 Ca 0.15 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2nwu h ARG 70 Cb 0.21 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2nwu h ARG 70 CO -0.01 0.16 -0.36 -0.22 -1.51 0.00 0.00 179.97 178.04 2nwu h LYS 71 N 0.25 -0.62 -0.65 0.20 3.64 -1.34 -2.95 116.57 115.10 2nwu h LYS 71 Ca 0.19 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2nwu h LYS 71 Cb 0.20 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2nwu h LYS 71 CO -0.22 -0.41 0.18 1.88 -2.27 0.00 0.00 179.45 178.60 2nwu h TYR 72 N -0.64 1.05 0.00 1.91 0.05 -1.12 -2.43 116.97 115.79 2nwu h TYR 72 Ca 0.01 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2nwu h TYR 72 Cb 0.63 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.07 2nwu h TYR 72 CO -0.28 0.85 0.00 1.28 -1.05 0.00 0.00 178.16 178.97 2nwu n LEU 73 N -4.26 1.04 0.00 3.88 4.77 0.13 -1.94 117.00 120.62 2nwu n LEU 73 Ca 0.05 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2nwu n LEU 73 Cb 0.23 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2nwu n LEU 73 CO 0.41 0.20 0.00 2.29 -1.33 0.00 0.00 177.39 178.96 2nwu n LYS 75 N 0.42 0.00 0.17 3.23 2.85 -0.92 -2.81 118.16 121.11 2nwu n LYS 75 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 2nwu n LYS 75 Cb 0.20 0.00 0.55 0.00 -0.65 0.00 0.00 35.03 35.13 2nwu n LYS 75 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2nwu h GLY 76 N 0.00 0.00 -4.15 2.58 0.00 -1.58 -3.44 103.07 96.49 2nwu h GLY 76 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2nwu h GLY 76 CO 0.00 0.00 0.62 -0.42 0.00 0.00 0.00 176.54 176.74 2nwu s ILE 77 N -3.42 3.22 0.00 2.60 1.01 -1.12 -0.72 121.20 122.76 2nwu s ILE 77 Ca 0.03 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.73 2nwu s ILE 77 Cb 0.09 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2nwu s ILE 77 CO 0.43 0.18 0.00 1.21 0.00 0.00 0.00 174.94 176.76 2nwu n GLU 78 N 2.26 0.00 0.00 2.79 4.07 -0.90 -4.96 120.64 123.90 2nwu n GLU 78 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2nwu n GLU 78 Cb 0.43 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 31.79 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 3.60 0.99 1.54 8.31 0.00 -1.26 -4.90 105.19 113.47 2nwu n GLY 79 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 5.07 -4.40 1.61 3.02 -1.26 -4.80 115.26 114.50 2nwu n ASN 80 Ca 0.00 -2.94 -0.21 0.00 -0.03 0.00 0.00 54.58 51.40 2nwu n ASN 80 Cb 0.00 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 38.44 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 -2.74 2.08 -0.07 3.41 -4.23 -1.26 -1.09 115.64 111.74 2nwu s THR 81 Ca 0.50 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2nwu s THR 81 Cb 0.39 -2.16 0.02 0.00 1.34 0.00 0.00 72.50 72.09 2nwu s THR 81 CO 0.14 -0.50 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.03 2nwu s ILE 82 N -2.74 0.79 -0.07 2.99 1.01 -0.07 -2.11 121.20 121.00 2nwu s ILE 82 Ca 0.26 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2nwu s ILE 82 Cb -0.03 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2nwu s ILE 82 CO 0.11 0.30 -0.13 0.00 0.00 0.00 0.00 174.94 175.22 2nwu s ALA 83 N 1.30 1.32 0.00 9.38 0.00 0.10 -1.29 121.76 132.56 2nwu s ALA 83 Ca -0.04 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2nwu s ALA 83 Cb -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2nwu s ALA 83 CO -0.03 0.13 0.00 1.97 0.00 0.00 0.00 175.76 177.84 2nwu n PHE 84 N 3.76 0.00 -3.48 0.00 1.16 -1.08 -4.31 117.46 113.51 2nwu n PHE 84 Ca -0.22 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.22 2nwu n PHE 84 Cb 0.52 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.35 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 -2.28 0.00 0.00 1.97 -4.36 -0.42 -1.03 121.20 115.09 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 -0.07 0.00 1.25 0.00 0.00 42.46 42.64 2nwu s ILE 86 CO 0.00 0.00 1.62 -2.28 0.24 0.00 0.00 174.94 174.52 2nwu s HIS 87 N -2.47 2.26 0.06 1.37 5.65 0.90 -2.36 115.29 120.70 2nwu s HIS 87 Ca -0.03 0.32 -0.29 0.00 0.25 0.00 0.00 55.06 55.31 2nwu s HIS 87 Cb -0.01 -3.90 -0.15 0.00 -1.18 0.00 0.00 32.58 27.34 2nwu s HIS 87 CO -0.03 -3.68 1.44 -0.22 -0.65 0.00 0.00 174.74 171.60 2nwu h LYS 88 N 8.84 -0.90 -1.01 2.88 1.63 -1.92 -1.21 116.57 124.88 2nwu h LYS 88 Ca -0.41 0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.47 2nwu h LYS 88 Cb 1.19 0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 32.97 2nwu h LYS 88 CO 0.94 -0.60 0.67 1.96 -3.45 0.00 0.00 179.45 178.97 2nwu h GLN 89 N -0.93 1.32 -0.01 1.90 1.08 -1.97 0.12 115.11 116.62 2nwu h GLN 89 Ca -0.08 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2nwu h GLN 89 Cb 0.75 -0.30 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 2nwu h GLN 89 CO 0.06 0.88 0.01 0.00 -0.95 0.00 0.00 178.83 178.82 2nwu h ALA 90 N 1.37 0.02 -0.32 3.87 0.00 -1.83 -2.17 119.26 120.20 2nwu h ALA 90 Ca 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2nwu h ALA 90 Cb -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2nwu h ALA 90 CO -0.08 -0.48 0.15 0.00 0.00 0.00 0.00 179.25 178.84 2nwu h ALA 91 N 0.99 1.67 -0.15 0.00 0.00 -0.52 -0.25 119.26 121.00 2nwu h ALA 91 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2nwu h ALA 91 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nwu h ALA 91 CO -0.00 0.27 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 2nwu h ALA 92 N 1.73 1.71 -0.55 0.00 0.00 -0.14 -1.54 119.26 120.47 2nwu h ALA 92 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nwu h ALA 92 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2nwu h ALA 92 CO -0.02 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.78 2nwu n VAL 93 N -4.40 2.34 -0.79 0.00 0.24 -0.41 -4.72 118.33 110.59 2nwu n VAL 93 Ca -0.01 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.05 2nwu n VAL 93 Cb 0.17 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.70 0.69 3.82 7.63 0.00 -0.58 -5.05 105.19 112.40 2nwu n GLY 94 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.48 5.39 -0.42 1.61 1.01 -0.24 -4.95 120.40 120.33 2nwu s VAL 95 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2nwu s VAL 95 Cb 0.00 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 33.04 2nwu s VAL 95 CO 0.00 0.56 0.29 -0.22 0.00 0.00 0.00 175.10 175.73 2nwu s LEU 96 N -0.55 5.14 -0.11 3.92 0.20 -1.26 -1.92 118.68 124.09 2nwu s LEU 96 Ca 0.12 -1.09 -0.00 0.00 0.69 0.00 0.00 54.13 53.85 2nwu s LEU 96 Cb -0.12 -2.11 0.02 0.00 -0.43 0.00 0.00 46.19 43.56 2nwu s LEU 96 CO 0.02 -0.49 -0.08 -0.55 -0.29 0.00 0.00 176.35 174.96 2nwu s SER 97 N 1.91 2.16 0.49 3.68 0.15 -1.26 -5.05 113.70 115.78 2nwu s SER 97 Ca 0.04 -0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.18 2nwu s SER 97 Cb -0.21 -0.84 -0.07 0.00 -1.71 0.00 0.00 66.02 63.19 2nwu s SER 97 CO 0.07 -0.11 1.10 -0.36 1.20 0.00 0.00 173.24 175.14 2nwu s PHE 98 N 1.67 2.90 0.00 3.44 0.08 -1.26 -0.07 117.98 124.74 2nwu s PHE 98 Ca 0.04 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2nwu s PHE 98 Cb -0.13 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2nwu s PHE 98 CO -0.08 -1.22 0.00 0.28 -0.10 0.00 0.00 175.22 174.10 2nwu n VAL 99 N -0.83 0.00 0.79 -0.44 0.31 -1.26 -4.72 118.33 112.18 2nwu n VAL 99 Ca 0.09 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.55 2nwu n VAL 99 Cb 0.50 0.00 0.42 0.00 -0.91 0.00 0.00 33.84 33.85 2nwu n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nwu n ALA 109 N -3.00 2.56 -2.47 3.52 0.00 -1.14 -5.06 120.51 114.93 2nwu n ALA 109 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2nwu n ALA 109 Cb 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.07 5.24 -0.17 0.00 1.01 -1.00 -4.40 121.20 118.82 2nwu s ILE 110 Ca 0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 2nwu s ILE 110 Cb 0.15 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2nwu s ILE 110 CO 0.61 -0.31 0.22 -0.54 0.00 0.00 0.00 174.94 174.92 2nwu s LYS 111 N 1.75 4.16 -0.13 2.79 1.02 -0.29 -1.30 119.74 127.75 2nwu s LYS 111 Ca 0.06 -0.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.98 2nwu s LYS 111 Cb -0.19 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 2nwu s LYS 111 CO 0.11 0.32 0.01 -0.06 -0.92 0.00 0.00 175.35 174.80 2nwu s PHE 112 N 0.26 3.16 -0.09 3.18 0.08 -0.20 -1.07 117.98 123.30 2nwu s PHE 112 Ca 0.13 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.22 2nwu s PHE 112 Cb -0.12 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 2nwu s PHE 112 CO 0.02 0.28 -0.02 0.71 -0.10 0.00 0.00 175.22 176.11 2nwu s TYR 113 N -0.29 0.89 -0.14 0.36 2.02 -1.26 -2.63 117.35 116.31 2nwu s TYR 113 Ca 0.06 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2nwu s TYR 113 Cb -0.12 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.53 2nwu s TYR 113 CO 0.02 -0.39 -0.18 0.42 -1.57 0.00 0.00 175.55 173.85 2nwu s ILE 114 N 1.90 1.82 -0.19 2.71 1.01 -0.41 -4.34 121.20 123.69 2nwu s ILE 114 Ca 0.05 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2nwu s ILE 114 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2nwu s ILE 114 CO -0.06 0.50 0.04 -1.61 0.00 0.00 0.00 174.94 173.81 2nwu s GLU 115 N 1.05 3.83 -0.26 2.79 2.02 0.17 -0.90 118.70 127.41 2nwu s GLU 115 Ca -0.03 -0.42 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 2nwu s GLU 115 Cb -0.15 -3.18 0.11 0.00 0.10 0.00 0.00 34.13 31.02 2nwu s GLU 115 CO -0.05 0.15 0.97 -0.47 0.02 0.00 0.00 175.26 175.89 2nwu s TYR 116 N 0.68 -0.51 0.42 1.61 5.04 -0.25 -1.81 117.35 122.53 2nwu s TYR 116 Ca 0.02 1.21 0.23 0.00 -2.44 0.00 0.00 57.07 56.09 2nwu s TYR 116 Cb -0.13 0.36 1.29 0.00 0.35 0.00 0.00 41.96 43.83 2nwu s TYR 116 CO 0.02 -0.27 2.04 -0.56 -1.34 0.00 0.00 175.55 175.43 2nwu h GLN 117 N 4.10 0.00 -2.66 4.97 -0.00 -1.98 -3.32 115.11 116.22 2nwu h GLN 117 Ca -0.27 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 57.77 2nwu h GLN 117 Cb 1.17 0.00 -0.41 0.00 -0.00 0.00 0.00 27.48 28.24 2nwu h GLN 117 CO 0.13 0.15 -0.73 0.09 -0.00 0.00 0.00 178.83 178.47 2nwu n ASN 118 N -3.84 1.93 -0.32 0.06 5.03 -1.26 -4.92 115.26 111.93 2nwu n ASN 118 Ca -0.02 -2.97 0.06 0.00 0.87 0.00 0.00 54.58 52.52 2nwu n ASN 118 Cb 0.25 -0.68 0.22 0.00 -1.02 0.00 0.00 39.78 38.55 2nwu n ASN 118 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2nwu h PRO 119 N 5.16 0.79 -0.33 3.52 0.13 -1.87 -2.18 132.00 137.21 2nwu h PRO 119 Ca 0.18 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.36 2nwu h PRO 119 Cb 0.79 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2nwu h PRO 119 CO 0.62 0.52 0.24 0.87 -0.23 0.00 0.00 178.00 180.02 2nwu h LYS 120 N 0.81 0.00 -0.67 0.86 1.57 -1.95 -0.12 116.57 117.07 2nwu h LYS 120 Ca 0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.20 2nwu h LYS 120 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2nwu h LYS 120 CO -0.30 0.00 0.23 0.93 -0.57 0.00 0.00 179.45 179.74 2nwu h GLU 121 N 0.00 1.02 0.07 3.15 5.08 -1.82 0.47 114.58 122.56 2nwu h GLU 121 Ca 0.16 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2nwu h GLU 121 Cb 0.64 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2nwu h GLU 121 CO -0.00 0.86 -0.07 0.82 -1.00 0.00 0.00 179.01 179.61 2nwu h ILE 122 N 0.99 0.83 -0.60 3.13 1.08 -1.12 -0.22 117.51 121.60 2nwu h ILE 122 Ca 0.22 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.74 2nwu h ILE 122 Cb 0.25 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 2nwu h ILE 122 CO -0.01 0.00 0.33 0.58 -0.69 0.00 0.00 178.15 178.36 2nwu h VAL 123 N -0.16 1.00 0.00 1.67 2.07 -1.15 0.94 116.25 120.62 2nwu h VAL 123 Ca 0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2nwu h VAL 123 Cb 0.16 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2nwu h VAL 123 CO -0.02 0.12 -0.02 0.44 0.02 0.00 0.00 177.57 178.11 2nwu h ASP 124 N 0.64 0.00 0.00 0.57 3.32 -0.67 0.44 116.42 120.72 2nwu h ASP 124 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2nwu h ASP 124 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2nwu h ASP 124 CO -0.15 0.02 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.10 2nwu h TRP 125 N 0.00 0.00 -0.04 4.55 7.01 0.08 -3.31 115.95 124.23 2nwu h TRP 125 Ca -0.00 0.00 -0.13 0.00 2.11 0.00 0.00 58.89 60.86 2nwu h TRP 125 Cb 0.60 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.67 2nwu h TRP 125 CO 0.00 0.90 -0.50 -0.07 -2.79 0.00 0.00 178.44 175.98 2nwu h LEU 126 N -1.00 0.52 -6.30 0.65 3.38 -0.81 -3.41 115.31 108.33 2nwu h LEU 126 Ca -0.01 -0.70 -0.59 0.00 0.09 0.00 0.00 57.88 56.67 2nwu h LEU 126 Cb 0.90 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 41.08 2nwu h LEU 126 CO -0.01 1.14 -0.78 0.00 0.09 0.00 0.00 178.44 178.89 2nwu n ALA 127 N -2.56 3.36 -1.64 1.53 0.00 0.15 -4.89 120.51 116.47 2nwu n ALA 127 Ca -0.09 -4.16 -0.38 0.00 0.00 0.00 0.00 53.44 48.81 2nwu n ALA 127 Cb 0.61 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 19.23 2nwu n ALA 127 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2nwu n PRO 128 N 1.40 1.09 -2.06 0.00 -0.02 -1.25 -4.58 135.00 129.60 2nwu n PRO 128 Ca 0.26 0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2nwu n PRO 128 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2nwu n PRO 128 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nwu s LYS 129 N -2.68 3.73 0.15 -0.52 2.47 -1.26 -4.71 119.74 116.91 2nwu s LYS 129 Ca 0.73 2.06 0.11 0.00 -1.56 0.00 0.00 55.97 57.31 2nwu s LYS 129 Cb -0.44 -2.55 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 2nwu s LYS 129 CO 0.49 -0.66 -0.23 0.95 0.16 0.00 0.00 175.35 176.05 2nwu s THR 130 N -1.35 2.47 -0.11 3.43 -4.23 -1.26 -0.94 115.64 113.64 2nwu s THR 130 Ca 0.62 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2nwu s THR 130 Cb -0.36 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.37 2nwu s THR 130 CO 0.44 0.02 -0.06 0.00 -0.54 0.00 0.00 174.62 174.48 2nwu s ALA 131 N -1.30 1.26 -1.35 3.99 0.00 -0.60 -4.75 121.76 119.02 2nwu s ALA 131 Ca 0.18 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 2nwu s ALA 131 Cb -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2nwu s ALA 131 CO 0.09 -0.46 0.69 1.58 0.00 0.00 0.00 175.76 177.66 2nwu n HIS 132 N 4.96 -2.00 -1.02 0.00 -0.00 -1.26 -2.29 115.22 113.62 2nwu n HIS 132 Ca -0.12 0.59 -0.01 0.00 0.46 0.00 0.00 57.72 58.65 2nwu n HIS 132 Cb 0.50 -4.28 -0.00 0.00 -0.12 0.00 0.00 29.99 26.08 2nwu n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2nwu n GLY 133 N -1.56 0.41 3.18 1.57 0.00 -1.26 -5.02 105.19 102.51 2nwu n GLY 133 Ca -0.07 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2nwu n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nwu s VAL 134 N -1.76 1.59 0.21 1.61 0.11 -0.97 -5.08 120.40 116.11 2nwu s VAL 134 Ca 0.00 -0.82 -0.32 0.00 -2.93 0.00 0.00 61.98 57.90 2nwu s VAL 134 Cb 0.00 -1.35 -0.13 0.00 -1.53 0.00 0.00 36.38 33.36 2nwu s VAL 134 CO 0.00 0.45 1.49 -2.65 -3.33 0.00 0.00 175.10 171.06 2nwu n PRO 135 N 2.96 2.12 0.09 1.54 -0.02 -1.26 -1.55 135.00 138.88 2nwu n PRO 135 Ca -0.17 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 2nwu n PRO 135 Cb 0.53 -2.47 0.44 0.00 -0.02 0.00 0.00 33.50 31.97 2nwu n PRO 135 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nwu n LEU 136 N 2.69 0.69 -3.63 2.45 4.77 -0.12 -4.87 117.00 118.99 2nwu n LEU 136 Ca 0.14 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.59 2nwu n LEU 136 Cb 0.31 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2nwu n LEU 136 CO 0.63 -0.18 0.40 -1.66 -1.33 0.00 0.00 177.39 175.26 2nwu s TRP 137 N -3.10 -0.35 -0.42 -1.77 -2.14 -1.26 -5.06 118.94 104.84 2nwu s TRP 137 Ca 0.11 0.03 0.05 0.00 2.66 0.00 0.00 56.10 58.95 2nwu s TRP 137 Cb 0.13 0.58 0.19 0.00 -3.10 0.00 0.00 33.47 31.28 2nwu s TRP 137 CO 0.58 -1.00 0.40 -3.47 -2.66 0.00 0.00 176.95 170.80 2nwu n ASP 138 N -0.40 -0.08 -4.80 -2.66 4.64 -1.26 -4.81 116.55 107.18 2nwu n ASP 138 Ca -0.11 -2.51 -0.32 0.00 -1.38 0.00 0.00 54.79 50.46 2nwu n ASP 138 Cb 0.62 -0.58 0.02 0.00 -1.04 0.00 0.00 41.12 40.14 2nwu n ASP 138 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 2nwu s ASN 139 N -0.37 5.64 0.81 1.67 0.01 -1.26 -5.05 114.94 116.40 2nwu s ASN 139 Ca 0.33 1.81 -0.12 0.00 -0.71 0.00 0.00 52.86 54.17 2nwu s ASN 139 Cb 0.07 -2.53 0.08 0.00 0.41 0.00 0.00 41.25 39.28 2nwu s ASN 139 CO -0.17 -1.26 1.17 -2.16 -1.51 0.00 0.00 177.10 173.16 2nwu s PRO 140 N -4.21 1.95 0.20 -0.60 0.04 -1.26 -4.90 135.00 126.22 2nwu s PRO 140 Ca 0.63 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 61.52 2nwu s PRO 140 Cb -0.16 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 2nwu s PRO 140 CO 0.40 -1.62 1.64 0.14 0.04 0.00 0.00 177.00 177.60 2nwu s VAL 141 N -3.53 2.28 0.49 -0.36 -7.23 -1.26 -4.92 120.40 105.88 2nwu s VAL 141 Ca 0.62 0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 60.77 2nwu s VAL 141 Cb -0.11 -3.13 -0.08 0.00 0.56 0.00 0.00 36.38 33.61 2nwu s VAL 141 CO 0.50 0.02 1.16 -2.65 -0.31 0.00 0.00 175.10 173.81 2nwu n PRO 142 N 3.76 1.52 -1.68 4.82 -0.02 -1.26 -4.87 135.00 137.26 2nwu n PRO 142 Ca 0.14 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.74 2nwu n PRO 142 Cb 0.37 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 2nwu n PRO 142 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2nwu n PRO 143 N -0.37 2.06 -0.03 0.52 -0.04 -1.26 -4.80 135.00 131.07 2nwu n PRO 143 Ca 0.10 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2nwu n PRO 143 Cb 0.42 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2nwu n PRO 143 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21