#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkp s ASP 7 N 0.00 6.20 0.46 2.89 2.15 -1.26 -4.89 116.67 122.22 1wkp s ASP 7 Ca 0.00 2.04 0.20 0.00 0.43 0.00 0.00 52.55 55.22 1wkp s ASP 7 Cb 0.00 -2.57 1.11 0.00 -0.30 0.00 0.00 42.92 41.16 1wkp s ASP 7 CO 0.00 -0.88 1.97 -0.65 -0.17 0.00 0.00 175.17 175.43 1wkp h PRO 8 N 1.60 0.00 -0.03 4.34 0.11 -1.98 0.09 132.00 136.14 1wkp h PRO 8 Ca -0.50 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1wkp h PRO 8 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1wkp h PRO 8 CO 0.59 0.21 -0.65 -0.07 -0.21 0.00 0.00 178.00 177.88 1wkp h LEU 9 N 0.00 0.13 0.08 2.35 3.38 -1.97 -1.77 115.31 117.51 1wkp h LEU 9 Ca -0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1wkp h LEU 9 Cb 0.46 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wkp h LEU 9 CO 0.03 0.74 -0.59 0.40 0.09 0.00 0.00 178.44 179.11 1wkp h ILE 10 N 0.08 1.54 -0.85 1.22 2.04 -1.72 0.89 117.51 120.71 1wkp h ILE 10 Ca -0.01 -2.43 0.03 0.00 1.00 0.00 0.00 64.86 63.44 1wkp h ILE 10 Cb 1.15 3.18 -0.05 0.00 -0.74 0.00 0.00 36.82 40.37 1wkp h ILE 10 CO 0.09 0.65 0.56 0.58 0.00 0.00 0.00 178.15 180.03 1wkp h VAL 11 N -0.64 1.16 -0.00 1.67 2.07 -1.04 -0.16 116.25 119.31 1wkp h VAL 11 Ca -0.12 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wkp h VAL 11 Cb 1.39 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1wkp h VAL 11 CO 0.06 0.20 -0.06 -1.54 0.02 0.00 0.00 177.57 176.25 1wkp n SER 12 N -4.43 0.24 -1.81 0.57 3.41 -0.67 -4.91 113.62 106.02 1wkp n SER 12 Ca 0.11 -0.40 -0.17 0.00 -0.26 0.00 0.00 58.87 58.15 1wkp n SER 12 Cb 0.08 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1wkp n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wkp n ARG 13 N -1.11 -1.35 -0.02 4.33 1.74 -0.07 -4.91 116.66 115.27 1wkp n ARG 13 Ca 0.15 0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 1wkp n ARG 13 Cb 0.26 -5.33 -0.08 0.00 -1.02 0.00 0.00 32.46 26.28 1wkp n ARG 13 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1wkp h VAL 14 N 0.00 1.31 -3.44 1.55 2.07 -1.10 -1.09 116.25 115.54 1wkp h VAL 14 Ca -0.40 -0.97 -0.56 0.00 0.82 0.00 0.00 66.70 65.59 1wkp h VAL 14 Cb 1.26 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 1wkp h VAL 14 CO 0.50 0.27 1.02 -0.69 0.02 0.00 0.00 177.57 178.68 1wkp s VAL 15 N -4.64 4.01 0.00 2.57 1.01 -0.59 -1.01 120.40 121.76 1wkp s VAL 15 Ca -0.15 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1wkp s VAL 15 Cb 0.04 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1wkp s VAL 15 CO 0.69 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1wkp n GLY 16 N 5.00 1.43 0.29 4.51 0.00 0.12 -4.60 105.19 111.94 1wkp n GLY 16 Ca 0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1wkp n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wkp h ASP 17 N 0.00 0.89 0.00 1.61 3.32 -1.26 -3.40 116.42 117.59 1wkp h ASP 17 Ca 0.00 -0.25 -0.17 0.00 0.02 0.00 0.00 57.03 56.63 1wkp h ASP 17 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1wkp h ASP 17 CO 0.00 0.98 -1.51 0.52 -1.72 0.00 0.00 179.24 177.51 1wkp n VAL 18 N -4.18 0.64 -4.34 -1.35 0.31 -0.57 -5.07 118.33 103.77 1wkp n VAL 18 Ca 0.02 -0.12 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 1wkp n VAL 18 Cb 0.35 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 1wkp n VAL 18 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1wkp s LEU 19 N -6.63 2.89 0.53 7.52 1.43 -0.18 -4.31 118.68 119.93 1wkp s LEU 19 Ca -0.15 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1wkp s LEU 19 Cb 0.05 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1wkp s LEU 19 CO 0.18 0.07 0.87 -1.81 0.23 0.00 0.00 176.35 175.89 1wkp s ASP 20 N -3.10 6.23 0.35 2.29 1.01 -1.26 -0.70 116.67 121.48 1wkp s ASP 20 Ca 0.27 1.08 -0.27 0.00 0.71 0.00 0.00 52.55 54.33 1wkp s ASP 20 Cb -0.08 -2.30 -0.12 0.00 1.01 0.00 0.00 42.92 41.43 1wkp s ASP 20 CO 0.15 -0.68 1.21 -0.81 0.21 0.00 0.00 175.17 175.25 1wkp n PRO 21 N -2.43 1.90 -3.43 8.23 -0.04 -1.26 -4.88 135.00 133.10 1wkp n PRO 21 Ca 0.02 0.67 -0.12 0.00 -0.04 0.00 0.00 63.50 64.04 1wkp n PRO 21 Cb 0.55 -2.22 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1wkp n PRO 21 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1wkp s PHE 22 N -1.11 -0.53 -0.30 0.54 -0.71 -1.26 -5.01 117.98 109.60 1wkp s PHE 22 Ca 0.57 0.32 -0.11 0.00 -1.04 0.00 0.00 56.93 56.67 1wkp s PHE 22 Cb -0.58 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1wkp s PHE 22 CO 0.61 -0.84 0.18 1.21 -1.34 0.00 0.00 175.22 175.04 1wkp s ASN 23 N -2.74 5.82 0.20 1.98 2.47 -1.26 -5.05 114.94 116.36 1wkp s ASN 23 Ca 0.01 -0.28 -0.32 0.00 0.42 0.00 0.00 52.86 52.69 1wkp s ASN 23 Cb -0.01 -2.08 -0.13 0.00 -1.45 0.00 0.00 41.25 37.58 1wkp s ASN 23 CO -0.13 -0.14 1.58 0.54 -3.72 0.00 0.00 177.10 175.23 1wkp n ARG 24 N 5.04 2.33 0.00 0.43 1.74 -1.26 -4.78 116.66 120.16 1wkp n ARG 24 Ca -0.14 0.84 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1wkp n ARG 24 Cb 0.51 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.34 1wkp n ARG 24 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wkp n SER 25 N 3.14 1.60 -4.30 0.55 3.41 0.80 -5.01 113.62 113.79 1wkp n SER 25 Ca 0.15 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.44 1wkp n SER 25 Cb 0.32 0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.28 1wkp n SER 25 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wkp s ILE 26 N -1.25 2.19 0.16 -1.33 1.09 -1.04 -4.97 121.20 116.04 1wkp s ILE 26 Ca 0.00 -1.03 -0.33 0.00 -1.10 0.00 0.00 60.65 58.19 1wkp s ILE 26 Cb 0.00 -1.79 -0.16 0.00 -1.06 0.00 0.00 42.46 39.45 1wkp s ILE 26 CO 0.00 0.57 1.16 0.41 -0.10 0.00 0.00 174.94 176.98 1wkp n THR 27 N 2.78 0.79 -3.66 2.92 -1.04 -1.26 -4.54 114.28 110.26 1wkp n THR 27 Ca -0.17 -0.20 -0.24 0.00 -2.04 0.00 0.00 64.05 61.40 1wkp n THR 27 Cb 0.52 -0.78 -0.17 0.00 -1.82 0.00 0.00 70.33 68.07 1wkp n THR 27 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wkp s LEU 28 N 0.67 0.44 -0.18 -4.42 2.96 -1.26 -1.20 118.68 115.69 1wkp s LEU 28 Ca 0.75 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1wkp s LEU 28 Cb -0.88 -0.29 0.03 0.00 0.50 0.00 0.00 46.19 45.55 1wkp s LEU 28 CO 0.52 -0.30 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.57 1wkp s LYS 29 N 2.09 2.34 -0.17 1.98 -0.14 -0.54 -5.00 119.74 120.29 1wkp s LYS 29 Ca 0.03 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 53.82 1wkp s LYS 29 Cb -0.15 -2.38 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 1wkp s LYS 29 CO -0.07 -0.33 -0.07 0.08 -0.76 0.00 0.00 175.35 174.21 1wkp s VAL 30 N 1.38 3.47 -0.06 3.17 1.01 -1.26 -1.24 120.40 126.87 1wkp s VAL 30 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1wkp s VAL 30 Cb -0.15 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.73 1wkp s VAL 30 CO -0.10 0.48 -0.08 -0.89 0.00 0.00 0.00 175.10 174.51 1wkp s THR 31 N 0.71 0.86 -0.35 3.92 2.01 -0.06 -0.39 115.64 122.35 1wkp s THR 31 Ca -0.03 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1wkp s THR 31 Cb -0.15 -0.83 0.04 0.00 0.01 0.00 0.00 72.50 71.57 1wkp s THR 31 CO 0.02 0.30 0.13 -0.31 -0.69 0.00 0.00 174.62 174.07 1wkp s TYR 32 N 0.90 3.25 0.00 4.92 2.02 -0.28 0.03 117.35 128.19 1wkp s TYR 32 Ca -0.11 -1.30 0.00 0.00 -0.37 0.00 0.00 57.07 55.30 1wkp s TYR 32 Cb -0.15 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.10 1wkp s TYR 32 CO 0.01 -0.70 0.00 0.41 -1.57 0.00 0.00 175.55 173.69 1wkp n GLY 33 N 4.86 2.31 0.79 0.71 0.00 -1.26 -1.07 105.19 111.53 1wkp n GLY 33 Ca -0.12 0.33 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1wkp n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wkp n GLN 34 N 4.56 1.82 -3.56 1.61 6.02 -1.26 -4.94 117.38 121.64 1wkp n GLN 34 Ca 0.00 -1.78 -0.40 0.00 -0.01 0.00 0.00 57.00 54.81 1wkp n GLN 34 Cb 0.00 -1.36 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 1wkp n GLN 34 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wkp s ARG 35 N -1.35 3.51 0.04 -1.09 0.52 -0.23 -5.06 118.95 115.28 1wkp s ARG 35 Ca 0.25 -0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1wkp s ARG 35 Cb 0.16 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 1wkp s ARG 35 CO 0.23 -0.42 1.18 -2.00 0.02 0.00 0.00 175.30 174.31 1wkp s GLU 36 N 1.71 4.43 -0.33 3.54 2.12 -1.26 -1.12 118.70 127.79 1wkp s GLU 36 Ca 0.06 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.83 1wkp s GLU 36 Cb -0.17 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1wkp s GLU 36 CO 0.10 -0.26 1.71 0.08 -0.54 0.00 0.00 175.26 176.35 1wkp s VAL 37 N 1.20 3.57 0.14 3.70 1.01 0.48 -4.98 120.40 125.52 1wkp s VAL 37 Ca 0.58 0.59 0.07 0.00 0.00 0.00 0.00 61.98 63.21 1wkp s VAL 37 Cb -0.28 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wkp s VAL 37 CO 0.28 -0.46 -0.04 0.42 0.00 0.00 0.00 175.10 175.30 1wkp s THR 38 N 6.45 3.60 -0.09 3.92 -4.23 -1.26 -4.69 115.64 119.34 1wkp s THR 38 Ca 0.76 -1.34 -0.34 0.00 -1.18 0.00 0.00 61.69 59.58 1wkp s THR 38 Cb -0.21 -2.75 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 1wkp s THR 38 CO 0.33 -0.01 1.87 0.59 -0.54 0.00 0.00 174.62 176.86 1wkp n ASN 39 N 0.24 3.40 0.00 3.99 5.03 -1.25 -1.63 115.26 125.04 1wkp n ASN 39 Ca -0.11 0.98 0.00 0.00 0.87 0.00 0.00 54.58 56.32 1wkp n ASN 39 Cb 0.54 -1.36 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 1wkp n ASN 39 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wkp n GLY 40 N 4.37 0.72 3.77 7.41 0.00 -0.03 -5.01 105.19 116.42 1wkp n GLY 40 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1wkp n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wkp s LEU 41 N 0.00 4.37 -0.26 0.99 2.96 -0.64 -4.50 118.68 121.59 1wkp s LEU 41 Ca 0.00 2.88 -0.22 0.00 -0.22 0.00 0.00 54.13 56.57 1wkp s LEU 41 Cb 0.00 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1wkp s LEU 41 CO 0.00 -0.73 0.72 0.20 -1.32 0.00 0.00 176.35 175.22 1wkp s ASN 42 N -0.23 6.67 -0.06 3.68 0.01 -1.26 -0.28 114.94 123.47 1wkp s ASN 42 Ca 0.52 0.80 0.06 0.00 -0.71 0.00 0.00 52.86 53.53 1wkp s ASN 42 Cb -0.44 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 38.84 1wkp s ASN 42 CO 0.57 -0.45 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.70 1wkp s LEU 43 N 2.68 2.06 0.35 0.60 1.43 -0.03 -4.96 118.68 120.80 1wkp s LEU 43 Ca 0.30 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1wkp s LEU 43 Cb -0.15 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 1wkp s LEU 43 CO 0.09 0.24 1.00 -0.13 0.23 0.00 0.00 176.35 177.78 1wkp s ARG 44 N -0.16 4.44 0.45 1.70 0.52 -1.26 -4.24 118.95 120.39 1wkp s ARG 44 Ca -0.04 1.46 0.27 0.00 -0.52 0.00 0.00 55.73 56.90 1wkp s ARG 44 Cb -0.14 -2.76 1.31 0.00 0.52 0.00 0.00 34.95 33.89 1wkp s ARG 44 CO 0.04 0.12 1.75 -1.35 0.02 0.00 0.00 175.30 175.87 1wkp h PRO 45 N 3.01 0.21 0.00 3.54 0.11 -1.84 0.13 132.00 137.16 1wkp h PRO 45 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1wkp h PRO 45 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wkp h PRO 45 CO 0.64 0.14 -0.04 0.66 -0.21 0.00 0.00 178.00 179.19 1wkp h SER 46 N 0.21 0.00 1.16 -2.05 4.64 -1.92 -2.94 113.55 112.65 1wkp h SER 46 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1wkp h SER 46 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1wkp h SER 46 CO -0.23 0.04 -0.58 1.56 -0.87 0.00 0.00 176.83 176.76 1wkp h GLN 47 N 0.00 0.00 -0.30 4.77 4.20 -1.11 -3.34 115.11 119.33 1wkp h GLN 47 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wkp h GLN 47 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1wkp h GLN 47 CO 0.01 0.00 0.00 1.33 -0.67 0.00 0.00 178.83 179.50 1wkp n VAL 48 N -2.47 1.53 -0.34 -0.54 0.24 -1.12 -4.70 118.33 110.92 1wkp n VAL 48 Ca 0.03 -1.37 0.17 0.00 -2.04 0.00 0.00 64.34 61.13 1wkp n VAL 48 Cb 0.49 0.19 0.38 0.00 -1.47 0.00 0.00 33.84 33.43 1wkp n VAL 48 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1wkp h GLN 49 N 1.86 0.59 -6.20 7.34 4.20 -1.66 -3.42 115.11 117.82 1wkp h GLN 49 Ca 0.00 -0.04 -0.53 0.00 0.06 0.00 0.00 58.65 58.14 1wkp h GLN 49 Cb 1.02 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 1wkp h GLN 49 CO 0.09 0.39 -0.58 -0.80 -0.67 0.00 0.00 178.83 177.26 1wkp s ASN 50 N -5.26 5.03 0.40 1.46 -0.87 -1.26 -4.56 114.94 109.88 1wkp s ASN 50 Ca -0.11 -0.46 -0.27 0.00 -1.57 0.00 0.00 52.86 50.46 1wkp s ASN 50 Cb 0.27 -1.12 -0.10 0.00 -0.02 0.00 0.00 41.25 40.28 1wkp s ASN 50 CO 0.80 -0.02 1.41 -1.59 -2.57 0.00 0.00 177.10 175.12 1wkp s LYS 51 N -3.76 4.01 0.74 -0.60 -2.85 -1.26 -5.00 119.74 111.01 1wkp s LYS 51 Ca 0.32 2.40 -0.12 0.00 -1.00 0.00 0.00 55.97 57.57 1wkp s LYS 51 Cb -0.07 -2.86 0.03 0.00 -2.06 0.00 0.00 37.83 32.87 1wkp s LYS 51 CO 0.22 -0.55 1.11 -1.25 0.10 0.00 0.00 175.35 174.98 1wkp s PRO 52 N -2.17 2.58 0.16 1.78 0.04 -1.26 -4.96 135.00 131.17 1wkp s PRO 52 Ca 0.55 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 1wkp s PRO 52 Cb -0.43 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 1wkp s PRO 52 CO 0.57 -1.23 1.00 1.03 0.04 0.00 0.00 177.00 178.42 1wkp s ARG 53 N -5.35 4.70 -0.12 4.56 1.81 0.10 -4.87 118.95 119.78 1wkp s ARG 53 Ca 0.59 1.55 -0.01 0.00 -1.72 0.00 0.00 55.73 56.15 1wkp s ARG 53 Cb -0.12 -3.32 0.03 0.00 -0.45 0.00 0.00 34.95 31.09 1wkp s ARG 53 CO 0.52 0.23 -0.06 0.08 -0.68 0.00 0.00 175.30 175.39 1wkp s VAL 54 N -0.33 0.97 -0.10 3.52 1.01 -1.26 -0.88 120.40 123.33 1wkp s VAL 54 Ca 0.46 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1wkp s VAL 54 Cb -0.26 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1wkp s VAL 54 CO 0.32 0.29 0.04 -1.61 0.00 0.00 0.00 175.10 174.14 1wkp s GLU 55 N 1.72 3.12 0.21 2.72 2.02 -0.37 -2.63 118.70 125.49 1wkp s GLU 55 Ca 0.04 -0.33 0.08 0.00 0.02 0.00 0.00 54.97 54.78 1wkp s GLU 55 Cb -0.13 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 1wkp s GLU 55 CO -0.08 0.72 -0.16 0.96 0.02 0.00 0.00 175.26 176.72 1wkp s ILE 56 N -0.91 1.85 0.00 -1.63 -4.36 -0.32 -1.47 121.20 114.36 1wkp s ILE 56 Ca 0.14 -2.17 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1wkp s ILE 56 Cb -0.12 -2.03 0.00 0.00 1.25 0.00 0.00 42.46 41.57 1wkp s ILE 56 CO 0.03 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.31 1wkp n GLY 57 N -0.26 2.11 0.00 6.27 0.00 -0.34 -3.56 105.19 109.40 1wkp n GLY 57 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1wkp n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkp n GLY 58 N 5.00 3.24 0.90 -0.02 0.00 -1.26 -0.72 105.19 112.33 1wkp n GLY 58 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 1wkp n GLY 58 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wkp n GLU 59 N -1.74 0.03 -2.39 1.61 2.13 -1.26 -4.79 120.64 114.24 1wkp n GLU 59 Ca 0.00 0.01 -0.43 0.00 0.66 0.00 0.00 57.16 57.41 1wkp n GLU 59 Cb 0.00 -0.33 -0.02 0.00 0.27 0.00 0.00 31.44 31.35 1wkp n GLU 59 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1wkp s ASP 60 N -5.41 6.94 0.08 4.31 -1.08 -1.26 -4.91 116.67 115.33 1wkp s ASP 60 Ca -0.02 1.78 0.15 0.00 -0.52 0.00 0.00 52.55 53.94 1wkp s ASP 60 Cb 0.00 -2.54 0.66 0.00 -1.46 0.00 0.00 42.92 39.58 1wkp s ASP 60 CO 0.03 -0.74 1.48 0.18 0.52 0.00 0.00 175.17 176.63 1wkp n LEU 61 N 6.35 0.20 0.13 -1.34 4.77 -1.26 -3.08 117.00 122.78 1wkp n LEU 61 Ca 0.14 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.78 1wkp n LEU 61 Cb 0.45 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1wkp n LEU 61 CO 0.56 -0.40 0.23 0.03 -1.33 0.00 0.00 177.39 176.49 1wkp h ARG 62 N 0.00 0.00 -7.22 3.23 3.08 -1.95 -3.39 114.38 108.13 1wkp h ARG 62 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1wkp h ARG 62 Cb 0.24 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.44 1wkp h ARG 62 CO 0.00 0.04 0.35 -0.80 -1.07 0.00 0.00 179.97 178.49 1wkp s ASN 63 N -5.67 4.16 0.09 7.04 0.02 -1.18 -4.94 114.94 114.46 1wkp s ASN 63 Ca 0.02 2.19 0.06 0.00 -1.02 0.00 0.00 52.86 54.11 1wkp s ASN 63 Cb 0.08 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.75 1wkp s ASN 63 CO 0.76 -2.28 -0.16 -0.36 0.02 0.00 0.00 177.10 175.08 1wkp s PHE 64 N -2.30 1.42 0.10 2.20 0.08 -1.26 -2.25 117.98 115.98 1wkp s PHE 64 Ca 0.70 -0.46 0.07 0.00 0.12 0.00 0.00 56.93 57.35 1wkp s PHE 64 Cb -0.25 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1wkp s PHE 64 CO 0.48 0.12 -0.17 0.71 -0.10 0.00 0.00 175.22 176.26 1wkp s TYR 65 N -1.38 1.49 -0.09 0.36 1.51 0.15 -0.62 117.35 118.77 1wkp s TYR 65 Ca 0.02 -0.47 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1wkp s TYR 65 Cb -0.09 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1wkp s TYR 65 CO 0.03 0.15 -0.23 0.99 -1.11 0.00 0.00 175.55 175.38 1wkp s THR 66 N -1.48 2.18 -0.16 -0.71 2.01 0.11 -0.88 115.64 116.71 1wkp s THR 66 Ca 0.04 -0.99 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1wkp s THR 66 Cb -0.09 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 1wkp s THR 66 CO 0.03 0.56 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.27 1wkp s LEU 67 N 0.16 3.26 -0.09 4.42 2.96 0.73 -0.26 118.68 129.86 1wkp s LEU 67 Ca -0.13 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1wkp s LEU 67 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 1wkp s LEU 67 CO 0.07 0.17 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 1wkp s VAL 68 N 0.38 2.62 -0.20 1.68 1.01 0.41 -1.68 120.40 124.62 1wkp s VAL 68 Ca -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1wkp s VAL 68 Cb -0.14 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.24 1wkp s VAL 68 CO 0.03 0.55 -0.15 -0.32 0.00 0.00 0.00 175.10 175.21 1wkp s MET 69 N 0.06 2.50 0.17 2.72 1.75 -0.55 -0.18 119.30 125.77 1wkp s MET 69 Ca -0.07 -0.91 0.06 0.00 -1.25 0.00 0.00 55.69 53.51 1wkp s MET 69 Cb -0.15 -2.54 -0.05 0.00 2.84 0.00 0.00 34.83 34.93 1wkp s MET 69 CO 0.05 -0.34 -0.12 0.14 -0.65 0.00 0.00 175.02 174.10 1wkp s VAL 70 N 1.30 1.40 -0.29 10.11 -7.23 -0.12 -0.40 120.40 125.16 1wkp s VAL 70 Ca 0.00 -2.12 0.03 0.00 -1.81 0.00 0.00 61.98 58.09 1wkp s VAL 70 Cb -0.15 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 34.93 1wkp s VAL 70 CO -0.10 -0.68 -0.04 -0.62 -0.31 0.00 0.00 175.10 173.36 1wkp s ASP 71 N -3.23 4.55 0.00 4.85 -1.08 -0.00 -0.74 116.67 121.02 1wkp s ASP 71 Ca 0.19 -1.72 0.19 0.00 -0.52 0.00 0.00 52.55 50.70 1wkp s ASP 71 Cb 0.01 -1.55 0.87 0.00 -1.46 0.00 0.00 42.92 40.79 1wkp s ASP 71 CO 0.03 -0.28 1.62 -0.81 0.52 0.00 0.00 175.17 176.25 1wkp n PRO 72 N 4.37 0.08 -1.55 4.34 -0.04 -1.25 -0.65 135.00 140.30 1wkp n PRO 72 Ca -0.06 0.15 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 1wkp n PRO 72 Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1wkp n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wkp n ASP 73 N -1.44 5.91 -4.74 3.54 8.00 -1.26 -4.59 116.55 121.97 1wkp n ASP 73 Ca 0.06 -3.77 -0.35 0.00 0.71 0.00 0.00 54.79 51.44 1wkp n ASP 73 Cb 0.21 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1wkp n ASP 73 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wkp s VAL 74 N -4.51 5.19 -0.65 2.53 1.01 -1.26 -1.22 120.40 121.49 1wkp s VAL 74 Ca 0.57 0.10 0.25 0.00 0.00 0.00 0.00 61.98 62.91 1wkp s VAL 74 Cb 0.46 -3.32 0.30 0.00 0.00 0.00 0.00 36.38 33.82 1wkp s VAL 74 CO 0.02 0.50 1.73 1.55 0.00 0.00 0.00 175.10 178.90 1wkp h PRO 75 N 6.16 0.00 -2.70 2.72 0.13 -1.89 -1.07 132.00 135.35 1wkp h PRO 75 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1wkp h PRO 75 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1wkp h PRO 75 CO 0.69 0.00 -0.16 -1.54 -0.23 0.00 0.00 178.00 176.75 1wkp s SER 76 N -4.97 -0.39 0.44 1.44 1.04 -0.36 -4.22 113.70 106.68 1wkp s SER 76 Ca 0.10 0.54 0.18 0.00 0.48 0.00 0.00 55.95 57.25 1wkp s SER 76 Cb 0.10 0.61 1.12 0.00 0.10 0.00 0.00 66.02 67.95 1wkp s SER 76 CO 0.61 -0.35 1.91 -0.65 0.98 0.00 0.00 173.24 175.75 1wkp h PRO 77 N 4.41 0.34 0.00 4.02 0.11 -1.80 -1.60 132.00 137.48 1wkp h PRO 77 Ca -0.28 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 1wkp h PRO 77 Cb 1.17 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1wkp h PRO 77 CO 0.32 0.22 -0.32 0.66 -0.21 0.00 0.00 178.00 178.68 1wkp h SER 78 N 0.35 0.00 -2.28 -2.05 4.64 -1.97 -3.36 113.55 108.87 1wkp h SER 78 Ca 0.39 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.12 1wkp h SER 78 Cb 1.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.69 1wkp h SER 78 CO -0.11 0.32 -0.91 -3.20 -0.87 0.00 0.00 176.83 172.05 1wkp n ASN 79 N -3.20 0.97 -3.49 4.97 5.15 -0.67 -5.04 115.26 113.95 1wkp n ASN 79 Ca 0.02 -2.80 -0.40 0.00 -0.60 0.00 0.00 54.58 50.81 1wkp n ASN 79 Cb 0.64 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.25 1wkp n ASN 79 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1wkp n PRO 80 N 1.81 4.22 0.17 1.20 -0.04 -0.78 -3.75 135.00 137.82 1wkp n PRO 80 Ca 0.25 -3.14 0.13 0.00 -0.04 0.00 0.00 63.50 60.71 1wkp n PRO 80 Cb 0.47 -2.73 0.47 0.00 -0.04 0.00 0.00 33.50 31.68 1wkp n PRO 80 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1wkp h HIS 81 N 4.87 0.00 -0.40 0.54 2.07 -1.82 -2.80 115.15 117.61 1wkp h HIS 81 Ca 0.71 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.23 1wkp h HIS 81 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1wkp h HIS 81 CO 1.63 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 177.77 1wkp n LEU 82 N -2.53 3.00 -4.64 6.12 4.77 -0.42 -4.87 117.00 118.43 1wkp n LEU 82 Ca 0.03 -1.34 -0.49 0.00 -0.03 0.00 0.00 56.01 54.17 1wkp n LEU 82 Cb 0.33 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1wkp n LEU 82 CO 0.26 0.67 1.08 -1.14 -1.33 0.00 0.00 177.39 176.93 1wkp n ARG 83 N 1.17 1.70 -3.62 3.23 0.63 -1.06 -0.87 116.66 117.85 1wkp n ARG 83 Ca 0.19 0.61 -0.25 0.00 -0.92 0.00 0.00 57.85 57.48 1wkp n ARG 83 Cb 0.52 -2.33 -0.02 0.00 0.45 0.00 0.00 32.46 31.07 1wkp n ARG 83 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1wkp s GLU 84 N 0.92 3.50 -0.26 -0.14 2.02 0.13 -3.77 118.70 121.11 1wkp s GLU 84 Ca 0.82 -0.38 -0.12 0.00 0.02 0.00 0.00 54.97 55.31 1wkp s GLU 84 Cb -0.81 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 30.60 1wkp s GLU 84 CO 0.43 0.32 0.24 -0.47 0.02 0.00 0.00 175.26 175.80 1wkp s TYR 85 N -2.04 3.27 -0.34 1.61 5.04 0.17 -0.72 117.35 124.35 1wkp s TYR 85 Ca 0.39 0.27 -0.26 0.00 -2.44 0.00 0.00 57.07 55.03 1wkp s TYR 85 Cb -0.10 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 39.82 1wkp s TYR 85 CO 0.31 -0.08 0.94 -1.17 -1.34 0.00 0.00 175.55 174.21 1wkp s LEU 86 N 1.55 4.00 -0.02 6.97 2.96 -0.39 -0.82 118.68 132.92 1wkp s LEU 86 Ca 0.10 0.73 0.18 0.00 -0.22 0.00 0.00 54.13 54.92 1wkp s LEU 86 Cb -0.15 -3.30 -0.20 0.00 0.50 0.00 0.00 46.19 43.04 1wkp s LEU 86 CO 0.08 -0.81 0.58 1.41 -1.32 0.00 0.00 176.35 176.28 1wkp n HIS 87 N 6.68 0.57 -3.64 5.38 8.25 0.46 -4.86 115.22 128.08 1wkp n HIS 87 Ca 0.08 0.19 -0.10 0.00 -0.26 0.00 0.00 57.72 57.63 1wkp n HIS 87 Cb 0.48 -0.97 -0.07 0.00 1.12 0.00 0.00 29.99 30.55 1wkp n HIS 87 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1wkp s TRP 88 N -2.91 -0.60 -0.08 4.41 -0.00 -1.14 -0.95 118.94 117.66 1wkp s TRP 88 Ca -0.06 1.43 -0.03 0.00 -0.00 0.00 0.00 56.10 57.44 1wkp s TRP 88 Cb 0.09 0.35 0.05 0.00 -0.00 0.00 0.00 33.47 33.95 1wkp s TRP 88 CO 0.83 -0.29 0.16 -1.17 -0.00 0.00 0.00 176.95 176.49 1wkp s LEU 89 N 0.42 0.03 -0.04 5.86 0.20 -0.47 -1.48 118.68 123.20 1wkp s LEU 89 Ca 0.01 0.34 0.02 0.00 0.69 0.00 0.00 54.13 55.19 1wkp s LEU 89 Cb -0.05 0.31 0.01 0.00 -0.43 0.00 0.00 46.19 46.02 1wkp s LEU 89 CO -0.05 -0.23 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.99 1wkp s VAL 90 N 2.13 0.87 0.20 1.68 1.01 -0.68 -1.02 120.40 124.60 1wkp s VAL 90 Ca 0.01 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wkp s VAL 90 Cb -0.12 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1wkp s VAL 90 CO -0.06 0.28 -0.03 0.28 0.00 0.00 0.00 175.10 175.57 1wkp s THR 91 N 0.36 1.04 -1.43 3.92 -1.32 -0.74 -0.19 115.64 117.28 1wkp s THR 91 Ca -0.06 -2.04 -0.09 0.00 -1.21 0.00 0.00 61.69 58.29 1wkp s THR 91 Cb -0.11 -2.20 0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1wkp s THR 91 CO 0.01 -0.45 0.96 0.47 -2.21 0.00 0.00 174.62 173.40 1wkp n ASP 92 N -0.35 -4.08 -4.67 8.08 8.00 -1.08 -0.34 116.55 122.12 1wkp n ASP 92 Ca -0.06 -0.74 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 1wkp n ASP 92 Cb 0.63 -4.21 -0.02 0.00 -0.02 0.00 0.00 41.12 37.49 1wkp n ASP 92 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wkp s ILE 93 N -3.40 4.60 0.36 0.53 1.01 -0.06 -4.35 121.20 119.89 1wkp s ILE 93 Ca 0.45 1.91 -0.28 0.00 0.00 0.00 0.00 60.65 62.73 1wkp s ILE 93 Cb -0.22 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.92 1wkp s ILE 93 CO 0.80 -0.09 1.36 -2.84 0.00 0.00 0.00 174.94 174.18 1wkp s PRO 94 N 2.71 4.19 0.17 2.79 0.02 -1.26 0.33 135.00 143.95 1wkp s PRO 94 Ca 0.49 2.32 -0.32 0.00 0.02 0.00 0.00 61.00 63.51 1wkp s PRO 94 Cb -0.18 -2.97 -0.16 0.00 0.02 0.00 0.00 34.50 31.20 1wkp s PRO 94 CO 0.13 -0.37 0.98 0.00 -0.33 0.00 0.00 177.00 177.42 1wkp n ALA 95 N 0.54 -1.59 -1.22 -1.55 0.00 -0.95 -2.06 120.51 113.68 1wkp n ALA 95 Ca 0.01 0.47 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 1wkp n ALA 95 Cb 0.41 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 1wkp n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wkp n THR 96 N 0.97 0.00 0.00 0.00 -2.24 0.11 -4.92 114.28 108.20 1wkp n THR 96 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1wkp n THR 96 Cb 0.23 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 1wkp n THR 96 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wkp n THR 97 N -2.52 0.00 -3.83 4.28 -2.24 -0.87 -4.78 114.28 104.31 1wkp n THR 97 Ca -0.08 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1wkp n THR 97 Cb 0.38 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1wkp n THR 97 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wkp s GLY 98 N 0.00 -0.21 0.49 3.38 0.00 -1.26 -1.17 107.32 108.55 1wkp s GLY 98 Ca 0.00 0.25 0.17 0.00 0.00 0.00 0.00 44.72 45.14 1wkp s GLY 98 CO 0.00 3.06 2.04 -0.91 0.00 0.00 0.00 173.10 177.30 1wkp h THR 99 N 2.00 0.90 -0.20 0.90 1.35 -1.90 -0.79 112.91 115.16 1wkp h THR 99 Ca -0.26 -0.06 0.06 0.00 -0.55 0.00 0.00 66.41 65.60 1wkp h THR 99 Cb 1.20 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1wkp h THR 99 CO 0.31 0.03 0.29 0.74 -0.25 0.00 0.00 175.52 176.64 1wkp h THR 100 N 0.17 0.31 -0.02 6.82 2.02 -1.96 -1.95 112.91 118.30 1wkp h THR 100 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1wkp h THR 100 Cb 0.47 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1wkp h THR 100 CO -0.03 0.00 -0.31 0.49 0.37 0.00 0.00 175.52 176.04 1wkp n PHE 101 N -3.53 0.00 -1.77 3.16 3.01 -0.30 -4.97 117.46 113.05 1wkp n PHE 101 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1wkp n PHE 101 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1wkp n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wkp n GLY 102 N 1.38 2.11 3.00 1.37 0.00 -0.73 -4.58 105.19 107.74 1wkp n GLY 102 Ca 0.11 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.81 1wkp n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wkp s ASN 103 N -0.92 4.20 -0.73 1.61 3.84 0.54 -4.93 114.94 118.55 1wkp s ASN 103 Ca 0.00 -1.37 -0.26 0.00 0.21 0.00 0.00 52.86 51.44 1wkp s ASN 103 Cb 0.00 -1.38 -0.03 0.00 -0.55 0.00 0.00 41.25 39.29 1wkp s ASN 103 CO 0.00 -0.23 1.88 -0.70 -2.79 0.00 0.00 177.10 175.26 1wkp s GLU 104 N 1.23 2.62 0.04 0.43 2.12 -1.26 -1.79 118.70 122.08 1wkp s GLU 104 Ca -0.05 0.25 0.22 0.00 0.36 0.00 0.00 54.97 55.74 1wkp s GLU 104 Cb -0.19 -4.65 -0.16 0.00 0.26 0.00 0.00 34.13 29.39 1wkp s GLU 104 CO -0.06 -2.96 0.77 0.44 -0.54 0.00 0.00 175.26 172.91 1wkp n ILE 105 N 7.44 0.18 -3.76 -3.70 -5.35 -0.19 -4.63 119.36 109.36 1wkp n ILE 105 Ca 0.28 -0.41 -0.28 0.00 -0.27 0.00 0.00 62.75 62.06 1wkp n ILE 105 Cb 0.50 0.05 -0.16 0.00 -1.74 0.00 0.00 39.64 38.29 1wkp n ILE 105 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1wkp s VAL 106 N -3.37 0.66 0.75 7.28 1.01 -0.65 -4.87 120.40 121.21 1wkp s VAL 106 Ca -0.02 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1wkp s VAL 106 Cb 0.13 -1.13 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1wkp s VAL 106 CO 0.85 -0.19 1.24 -0.94 0.00 0.00 0.00 175.10 176.07 1wkp s SER 107 N 1.80 3.94 -0.06 3.32 1.04 -1.26 -1.37 113.70 121.10 1wkp s SER 107 Ca -0.02 2.48 -0.30 0.00 0.48 0.00 0.00 55.95 58.59 1wkp s SER 107 Cb -0.17 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.30 1wkp s SER 107 CO -0.08 -2.44 1.59 -0.47 0.98 0.00 0.00 173.24 172.82 1wkp s TYR 108 N -1.85 2.13 -0.19 5.02 6.14 -1.26 -4.35 117.35 122.98 1wkp s TYR 108 Ca 0.77 0.32 -0.04 0.00 0.64 0.00 0.00 57.07 58.76 1wkp s TYR 108 Cb -0.32 -3.86 -0.02 0.00 0.42 0.00 0.00 41.96 38.18 1wkp s TYR 108 CO 0.47 -3.53 -0.02 -2.00 0.64 0.00 0.00 175.55 171.10 1wkp s GLU 109 N 3.87 3.55 0.10 4.97 2.12 -0.12 -4.94 118.70 128.25 1wkp s GLU 109 Ca 0.71 -0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 1wkp s GLU 109 Cb -0.32 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1wkp s GLU 109 CO 0.28 0.00 1.26 0.54 -0.54 0.00 0.00 175.26 176.80 1wkp s ASN 110 N 0.99 7.00 0.17 -1.70 4.22 -1.26 -4.85 114.94 119.51 1wkp s ASN 110 Ca 0.01 2.15 -0.34 0.00 -2.14 0.00 0.00 52.86 52.54 1wkp s ASN 110 Cb -0.14 -2.59 -0.14 0.00 1.28 0.00 0.00 41.25 39.66 1wkp s ASN 110 CO 0.01 -0.51 1.58 -2.65 -2.04 0.00 0.00 177.10 173.49 1wkp n PRO 111 N 3.68 2.18 -3.25 3.55 -0.02 -1.26 -4.98 135.00 134.90 1wkp n PRO 111 Ca 0.09 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 62.11 1wkp n PRO 111 Cb 0.45 -2.55 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1wkp n PRO 111 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wkp n SER 112 N 3.38 0.49 -4.68 2.55 7.64 -1.26 -4.69 113.62 117.04 1wkp n SER 112 Ca 0.17 -2.73 -0.45 0.00 1.01 0.00 0.00 58.87 56.86 1wkp n SER 112 Cb 0.29 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 1wkp n SER 112 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1wkp n PRO 113 N 1.55 2.25 0.02 1.43 -0.02 -1.26 -4.92 135.00 134.05 1wkp n PRO 113 Ca 0.23 0.81 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 1wkp n PRO 113 Cb 0.51 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 1wkp n PRO 113 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1wkp h THR 114 N 3.53 0.86 -3.18 3.45 1.35 -1.98 -3.29 112.91 113.65 1wkp h THR 114 Ca -0.45 -2.40 -0.11 0.00 -0.55 0.00 0.00 66.41 62.90 1wkp h THR 114 Cb 1.25 2.63 -0.19 0.00 -1.73 0.00 0.00 68.15 70.11 1wkp h THR 114 CO 0.87 0.79 -0.30 0.00 -0.25 0.00 0.00 175.52 176.63 1wkp s ALA 115 N -2.53 -0.68 0.12 6.62 0.00 -1.26 -4.88 121.76 119.15 1wkp s ALA 115 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1wkp s ALA 115 Cb 0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1wkp s ALA 115 CO 0.78 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1wkp n GLY 116 N 1.08 -1.62 3.59 0.00 0.00 -1.26 -4.58 105.19 102.40 1wkp n GLY 116 Ca -0.21 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1wkp n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wkp s ILE 117 N -1.62 5.12 -0.10 -0.61 1.01 -1.26 -4.50 121.20 119.24 1wkp s ILE 117 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 1wkp s ILE 117 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1wkp s ILE 117 CO 0.00 0.05 0.17 -1.00 0.00 0.00 0.00 174.94 174.16 1wkp s HIS 118 N 2.19 3.61 -0.05 3.97 3.76 0.91 -4.70 115.29 124.97 1wkp s HIS 118 Ca 0.17 0.56 -0.22 0.00 -0.15 0.00 0.00 55.06 55.42 1wkp s HIS 118 Cb -0.16 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 1wkp s HIS 118 CO 0.10 0.72 0.64 1.03 -0.85 0.00 0.00 174.74 176.39 1wkp s ARG 119 N -1.09 4.40 -0.23 1.40 0.52 -1.26 -0.94 118.95 121.74 1wkp s ARG 119 Ca 0.17 0.79 -0.02 0.00 -0.52 0.00 0.00 55.73 56.14 1wkp s ARG 119 Cb -0.12 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.94 1wkp s ARG 119 CO 0.06 0.17 -0.07 0.08 0.02 0.00 0.00 175.30 175.56 1wkp s VAL 120 N 0.45 2.98 -0.15 3.52 1.01 0.12 -3.94 120.40 124.39 1wkp s VAL 120 Ca 0.34 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1wkp s VAL 120 Cb -0.18 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1wkp s VAL 120 CO 0.17 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 174.78 1wkp s VAL 121 N 1.39 2.82 -0.18 2.92 1.01 0.08 -1.21 120.40 127.22 1wkp s VAL 121 Ca 0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wkp s VAL 121 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1wkp s VAL 121 CO -0.05 0.51 0.06 -0.36 0.00 0.00 0.00 175.10 175.26 1wkp s PHE 122 N 0.72 3.24 -0.04 5.22 0.40 0.78 -0.95 117.98 127.34 1wkp s PHE 122 Ca -0.06 0.06 0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1wkp s PHE 122 Cb -0.15 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1wkp s PHE 122 CO 0.02 0.15 -0.10 0.42 0.70 0.00 0.00 175.22 176.41 1wkp s ILE 123 N 0.35 0.89 -0.10 0.64 1.09 0.75 -1.14 121.20 123.67 1wkp s ILE 123 Ca 0.03 -0.38 -0.00 0.00 -1.10 0.00 0.00 60.65 59.20 1wkp s ILE 123 Cb -0.12 -0.82 -0.03 0.00 -1.06 0.00 0.00 42.46 40.43 1wkp s ILE 123 CO 0.00 0.29 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.83 1wkp s LEU 124 N 0.48 3.06 0.07 2.97 2.96 -0.02 -0.45 118.68 127.76 1wkp s LEU 124 Ca -0.09 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 1wkp s LEU 124 Cb -0.12 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1wkp s LEU 124 CO 0.02 0.27 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.79 1wkp s PHE 125 N -0.26 1.40 -0.03 5.38 0.08 0.64 -0.95 117.98 124.24 1wkp s PHE 125 Ca 0.03 -0.43 -0.19 0.00 0.12 0.00 0.00 56.93 56.46 1wkp s PHE 125 Cb -0.13 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.48 1wkp s PHE 125 CO 0.03 0.10 0.54 0.50 -0.10 0.00 0.00 175.22 176.28 1wkp s ARG 126 N -1.68 4.26 0.44 0.44 3.52 -1.26 0.06 118.95 124.72 1wkp s ARG 126 Ca 0.01 0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 56.16 1wkp s ARG 126 Cb -0.10 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1wkp s ARG 126 CO 0.03 0.36 0.75 -0.65 -0.81 0.00 0.00 175.30 174.98 1wkp s GLN 127 N -0.11 3.61 0.35 5.12 -0.21 0.21 -4.60 119.66 124.03 1wkp s GLN 127 Ca 0.29 0.23 0.12 0.00 0.02 0.00 0.00 55.36 56.01 1wkp s GLN 127 Cb -0.17 -2.42 0.64 0.00 1.00 0.00 0.00 33.01 32.06 1wkp s GLN 127 CO 0.15 -0.10 1.78 -0.07 -2.12 0.00 0.00 175.29 174.93 1wkp h LEU 128 N 0.67 0.01 -7.78 2.90 3.38 -1.83 -3.43 115.31 109.24 1wkp h LEU 128 Ca -0.47 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.70 1wkp h LEU 128 Cb 1.20 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1wkp h LEU 128 CO 0.63 0.43 0.62 -0.83 0.09 0.00 0.00 178.44 179.38 1wkp s GLY 129 N -4.33 -0.07 0.31 0.83 0.00 -1.26 -5.07 107.32 97.73 1wkp s GLY 129 Ca -0.03 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1wkp s GLY 129 CO 0.73 1.79 1.33 -1.60 0.00 0.00 0.00 173.10 175.36 1wkp s ARG 130 N -2.48 4.33 -0.86 2.90 3.52 -1.26 -4.11 118.95 121.00 1wkp s ARG 130 Ca 0.19 2.23 -0.02 0.00 -0.13 0.00 0.00 55.73 58.01 1wkp s ARG 130 Cb -0.01 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.28 1wkp s ARG 130 CO 0.03 -0.24 0.73 1.04 -0.81 0.00 0.00 175.30 176.04 1wkp n GLN 131 N 1.12 -3.75 0.00 5.12 6.02 -1.26 -4.95 117.38 119.67 1wkp n GLN 131 Ca 0.01 0.64 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1wkp n GLN 131 Cb 0.41 -4.92 0.00 0.00 1.02 0.00 0.00 30.24 26.76 1wkp n GLN 131 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wkp n THR 132 N -3.14 0.00 -4.36 5.09 -2.24 -1.26 -5.02 114.28 103.36 1wkp n THR 132 Ca -0.16 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 1wkp n THR 132 Cb 0.61 1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 69.79 1wkp n THR 132 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1wkp s VAL 133 N -0.53 4.09 0.27 2.28 1.01 -1.26 -4.90 120.40 121.35 1wkp s VAL 133 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 61.80 1wkp s VAL 133 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1wkp s VAL 133 CO 0.00 0.52 -0.16 -0.31 0.00 0.00 0.00 175.10 175.14 1wkp s TYR 134 N 0.04 2.38 0.47 5.22 1.51 -1.26 -5.06 117.35 120.64 1wkp s TYR 134 Ca 0.01 -0.31 -0.22 0.00 -1.01 0.00 0.00 57.07 55.55 1wkp s TYR 134 Cb -0.13 -1.05 -0.08 0.00 -0.11 0.00 0.00 41.96 40.59 1wkp s TYR 134 CO 0.02 0.67 1.09 0.00 -1.11 0.00 0.00 175.55 176.23 1wkp s ALA 135 N -2.37 2.92 1.01 3.71 0.00 -1.26 -5.04 121.76 120.73 1wkp s ALA 135 Ca 0.29 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 1wkp s ALA 135 Cb -0.06 -3.32 0.21 0.00 0.00 0.00 0.00 23.12 19.96 1wkp s ALA 135 CO 0.15 -0.48 1.23 -1.25 0.00 0.00 0.00 175.76 175.42 1wkp s PRO 136 N -2.91 0.25 0.34 0.00 0.04 -1.26 -4.99 135.00 126.47 1wkp s PRO 136 Ca 0.65 -0.20 0.23 0.00 0.04 0.00 0.00 61.00 61.72 1wkp s PRO 136 Cb -0.23 -1.78 0.24 0.00 0.04 0.00 0.00 34.50 32.77 1wkp s PRO 136 CO 0.27 -2.71 1.41 0.78 0.04 0.00 0.00 177.00 176.80 1wkp h GLY 137 N -1.86 0.00 -1.35 0.56 0.00 -1.98 -3.47 103.07 94.97 1wkp h GLY 137 Ca -0.45 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1wkp h GLY 137 CO 0.42 0.00 0.30 0.66 0.00 0.00 0.00 176.54 177.91 1wkp s TRP 138 N -3.26 0.05 -0.11 5.60 -2.14 -1.26 -5.10 118.94 112.72 1wkp s TRP 138 Ca 0.04 -0.66 0.09 0.00 2.66 0.00 0.00 56.10 58.24 1wkp s TRP 138 Cb 0.07 0.80 -0.24 0.00 -3.10 0.00 0.00 33.47 31.00 1wkp s TRP 138 CO 0.71 -1.44 0.40 0.54 -2.66 0.00 0.00 176.95 174.50 1wkp n ARG 139 N -0.53 0.67 -1.76 3.25 1.74 -1.26 -4.87 116.66 113.89 1wkp n ARG 139 Ca -0.07 0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 1wkp n ARG 139 Cb 0.60 -1.70 0.04 0.00 -1.02 0.00 0.00 32.46 30.39 1wkp n ARG 139 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1wkp s GLN 140 N -2.56 2.87 -1.32 5.56 0.00 -1.26 -1.26 119.66 121.68 1wkp s GLN 140 Ca -0.12 1.31 -0.03 0.00 -0.00 0.00 0.00 55.36 56.52 1wkp s GLN 140 Cb 0.07 -1.96 0.02 0.00 0.00 0.00 0.00 33.01 31.13 1wkp s GLN 140 CO 0.80 -1.19 0.21 0.09 0.00 0.00 0.00 175.29 175.20 1wkp n ASN 141 N -2.47 -4.63 -4.77 12.60 5.03 -0.05 -4.86 115.26 116.12 1wkp n ASN 141 Ca 0.10 -0.05 -0.38 0.00 0.87 0.00 0.00 54.58 55.11 1wkp n ASN 141 Cb 0.52 -3.85 -0.01 0.00 -1.02 0.00 0.00 39.78 35.42 1wkp n ASN 141 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1wkp s PHE 142 N -2.86 2.93 -0.28 3.10 5.36 0.10 -4.52 117.98 121.81 1wkp s PHE 142 Ca 0.14 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 1wkp s PHE 142 Cb -0.07 -3.50 0.08 0.00 -0.34 0.00 0.00 43.02 39.19 1wkp s PHE 142 CO 0.17 -1.66 -0.01 1.21 -1.46 0.00 0.00 175.22 173.47 1wkp s ASN 143 N -1.03 4.19 0.21 6.13 3.84 -1.26 -0.70 114.94 126.32 1wkp s ASN 143 Ca 0.59 -1.53 -0.10 0.00 0.21 0.00 0.00 52.86 52.03 1wkp s ASN 143 Cb -0.33 -1.29 0.16 0.00 -0.55 0.00 0.00 41.25 39.24 1wkp s ASN 143 CO 0.42 -0.29 1.88 0.74 -2.79 0.00 0.00 177.10 177.05 1wkp h THR 144 N 6.64 1.19 -0.09 -5.21 2.02 -1.95 0.16 112.91 115.66 1wkp h THR 144 Ca -0.14 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1wkp h THR 144 Cb 1.05 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1wkp h THR 144 CO 0.45 0.19 -0.04 0.03 0.37 0.00 0.00 175.52 176.52 1wkp h ARG 145 N 1.02 -0.02 -0.72 6.66 3.08 -1.96 0.50 114.38 122.94 1wkp h ARG 145 Ca 0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.27 1wkp h ARG 145 Cb -0.11 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1wkp h ARG 145 CO -0.06 -0.02 0.23 0.93 -1.07 0.00 0.00 179.97 179.98 1wkp h GLU 146 N -0.02 1.10 0.12 0.04 5.08 -1.88 -1.89 114.58 117.14 1wkp h GLU 146 Ca 0.05 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1wkp h GLU 146 Cb 0.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wkp h GLU 146 CO -0.11 0.94 -0.06 0.35 -1.00 0.00 0.00 179.01 179.13 1wkp h PHE 147 N 1.06 -0.15 -0.99 4.33 3.57 -0.43 -1.57 116.94 122.76 1wkp h PHE 147 Ca 0.23 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.82 1wkp h PHE 147 Cb 0.29 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.01 1wkp h PHE 147 CO 0.02 -0.10 0.63 0.00 -2.23 0.00 0.00 178.31 176.64 1wkp h ALA 148 N 0.71 1.44 -0.13 2.41 0.00 -0.67 -2.46 119.26 120.56 1wkp h ALA 148 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wkp h ALA 148 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wkp h ALA 148 CO 0.03 0.31 0.01 1.49 0.00 0.00 0.00 179.25 181.09 1wkp h GLU 149 N 1.06 0.21 -0.74 0.00 4.81 -1.12 -0.55 114.58 118.25 1wkp h GLU 149 Ca 0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1wkp h GLU 149 Cb 0.34 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1wkp h GLU 149 CO -0.22 0.43 0.47 0.82 -0.73 0.00 0.00 179.01 179.77 1wkp h ILE 150 N -0.03 1.20 -0.51 2.32 2.04 -0.96 -2.83 117.51 118.74 1wkp h ILE 150 Ca 0.04 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1wkp h ILE 150 Cb 0.32 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1wkp h ILE 150 CO 0.00 0.20 0.00 -1.22 0.00 0.00 0.00 178.15 177.14 1wkp n TYR 151 N -4.40 1.53 -4.04 1.37 4.01 -0.96 -4.98 117.16 109.70 1wkp n TYR 151 Ca 0.08 -0.72 -0.30 0.00 -0.16 0.00 0.00 57.90 56.81 1wkp n TYR 151 Cb 0.05 -0.35 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 1wkp n TYR 151 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wkp n ASN 152 N 0.50 -1.88 -0.33 7.72 3.02 -0.90 -4.66 115.26 118.73 1wkp n ASN 152 Ca 0.25 -0.98 0.13 0.00 -0.03 0.00 0.00 54.58 53.95 1wkp n ASN 152 Cb 0.99 -3.06 0.42 0.00 -0.61 0.00 0.00 39.78 37.51 1wkp n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wkp n LEU 153 N -4.43 1.20 0.00 3.41 4.77 -0.26 -4.24 117.00 117.45 1wkp n LEU 153 Ca -0.14 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1wkp n LEU 153 Cb 0.60 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1wkp n LEU 153 CO 0.79 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 1wkp n GLY 154 N 1.29 2.20 3.87 -0.72 0.00 -1.26 -4.40 105.19 106.17 1wkp n GLY 154 Ca 0.14 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1wkp n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wkp s LEU 155 N 0.00 3.98 0.64 0.99 1.43 -1.26 -4.85 118.68 119.61 1wkp s LEU 155 Ca 0.00 1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 54.04 1wkp s LEU 155 Cb 0.00 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 1wkp s LEU 155 CO 0.00 -0.27 1.07 -2.65 0.23 0.00 0.00 176.35 174.73 1wkp n PRO 156 N -0.79 0.88 -0.00 1.29 -0.02 -1.26 -4.70 135.00 130.40 1wkp n PRO 156 Ca 0.02 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.93 1wkp n PRO 156 Cb 0.53 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1wkp n PRO 156 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1wkp n VAL 157 N -1.96 0.00 -3.54 -1.45 0.24 -0.12 -4.67 118.33 106.83 1wkp n VAL 157 Ca 0.15 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1wkp n VAL 157 Cb 0.48 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 1wkp n VAL 157 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wkp s ALA 158 N -2.54 -1.84 -0.16 2.33 0.00 -1.23 -0.14 121.76 118.17 1wkp s ALA 158 Ca 0.04 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 1wkp s ALA 158 Cb 0.11 -0.23 0.07 0.00 0.00 0.00 0.00 23.12 23.07 1wkp s ALA 158 CO 0.63 -0.40 0.70 0.00 0.00 0.00 0.00 175.76 176.69 1wkp s ALA 159 N -1.54 -1.78 0.05 0.00 0.00 -1.26 -0.84 121.76 116.39 1wkp s ALA 159 Ca -0.04 1.66 -0.12 0.00 0.00 0.00 0.00 51.96 53.46 1wkp s ALA 159 Cb -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1wkp s ALA 159 CO 0.02 -0.35 0.26 0.54 0.00 0.00 0.00 175.76 176.23 1wkp s VAL 160 N -0.44 0.10 -0.04 0.00 0.11 -0.30 -5.00 120.40 114.83 1wkp s VAL 160 Ca -0.06 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 58.01 1wkp s VAL 160 Cb -0.02 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1wkp s VAL 160 CO 0.06 -0.43 0.43 0.72 -3.33 0.00 0.00 175.10 172.54 1wkp s PHE 161 N -2.64 -0.35 0.38 1.54 -0.71 -1.26 -0.16 117.98 114.78 1wkp s PHE 161 Ca -0.04 0.62 0.05 0.00 -1.04 0.00 0.00 56.93 56.52 1wkp s PHE 161 Cb -0.01 0.19 -0.07 0.00 -1.21 0.00 0.00 43.02 41.93 1wkp s PHE 161 CO -0.04 -0.44 0.03 1.52 -1.34 0.00 0.00 175.22 174.96 1wkp s TYR 162 N -1.11 2.25 -0.05 3.49 -0.85 -0.35 -0.85 117.35 119.87 1wkp s TYR 162 Ca -0.11 -0.82 -0.01 0.00 -0.52 0.00 0.00 57.07 55.61 1wkp s TYR 162 Cb -0.04 -1.56 -0.04 0.00 0.38 0.00 0.00 41.96 40.71 1wkp s TYR 162 CO 0.05 0.24 0.02 -0.80 -1.52 0.00 0.00 175.55 173.55 1wkp s ASN 163 N -3.63 5.35 0.02 -0.18 0.02 0.61 0.15 114.94 117.28 1wkp s ASN 163 Ca 0.34 0.12 0.01 0.00 -1.02 0.00 0.00 52.86 52.31 1wkp s ASN 163 Cb 0.09 -1.50 -0.01 0.00 0.02 0.00 0.00 41.25 39.85 1wkp s ASN 163 CO 0.16 0.33 -0.05 -0.55 0.02 0.00 0.00 177.10 177.02 1wkp s SER 164 N -1.23 0.49 -0.12 -1.22 0.15 -0.12 -0.85 113.70 110.80 1wkp s SER 164 Ca 0.17 -0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.37 1wkp s SER 164 Cb -0.12 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1wkp s SER 164 CO 0.07 -0.10 0.41 0.00 1.20 0.00 0.00 173.24 174.82 1wkp s GLN 165 N -0.81 0.57 0.19 5.44 -2.07 -1.26 -0.06 119.66 121.66 1wkp s GLN 165 Ca -0.06 0.39 -0.31 0.00 -1.82 0.00 0.00 55.36 53.56 1wkp s GLN 165 Cb -0.06 0.27 -0.16 0.00 -1.09 0.00 0.00 33.01 31.97 1wkp s GLN 165 CO -0.00 -0.10 0.95 2.89 -1.32 0.00 0.00 175.29 177.70 1wkp n ARG 166 N 2.37 0.78 0.00 9.60 1.85 -1.24 -4.52 116.66 125.50 1wkp n ARG 166 Ca -0.15 0.28 0.06 0.00 -1.00 0.00 0.00 57.85 57.03 1wkp n ARG 166 Cb 0.57 -1.61 0.35 0.00 -1.05 0.00 0.00 32.46 30.72 1wkp n ARG 166 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01