#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs s SER 2 N 0.00 5.24 0.10 1.61 0.15 -1.26 -4.80 113.70 114.74 1wgs s SER 2 Ca 0.00 -3.25 0.00 0.00 0.70 0.00 0.00 55.95 53.40 1wgs s SER 2 Cb 0.00 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1wgs s SER 2 CO 0.00 -0.26 0.00 -0.24 1.20 0.00 0.00 173.24 173.94 1wgs n SER 3 N 2.91 0.80 0.00 5.45 2.88 -1.26 -5.12 113.62 119.28 1wgs n SER 3 Ca 0.13 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1wgs n SER 3 Cb 0.36 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgs n GLY 4 N 3.21 4.37 3.55 0.46 0.00 -1.26 -5.07 105.19 110.44 1wgs n GLY 4 Ca 0.00 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.86 1wgs n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wgs n SER 5 N 0.00 0.74 -3.69 1.61 3.41 -1.26 -4.98 113.62 109.44 1wgs n SER 5 Ca 0.00 1.15 -0.15 0.00 -0.26 0.00 0.00 58.87 59.61 1wgs n SER 5 Cb 0.00 -1.22 -0.15 0.00 -0.26 0.00 0.00 64.21 62.58 1wgs n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wgs s SER 6 N -0.66 0.43 0.00 4.04 0.01 -1.26 -5.05 113.70 111.21 1wgs s SER 6 Ca 0.60 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1wgs s SER 6 Cb -0.73 0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1wgs s SER 6 CO 0.59 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1wgs n GLY 7 N 4.95 -0.88 3.64 3.44 0.00 -1.26 -5.15 105.19 109.92 1wgs n GLY 7 Ca -0.12 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgs s GLU 8 N -1.74 0.65 -0.31 1.61 -1.05 -1.26 -5.13 118.70 111.47 1wgs s GLU 8 Ca 0.00 1.04 -0.29 0.00 -0.15 0.00 0.00 54.97 55.57 1wgs s GLU 8 Cb 0.00 0.18 -0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1wgs s GLU 8 CO 0.00 -0.12 1.36 -1.25 0.95 0.00 0.00 175.26 176.19 1wgs s PRO 9 N 1.29 3.84 0.75 -4.83 0.04 -1.26 -5.00 135.00 129.84 1wgs s PRO 9 Ca -0.07 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.07 1wgs s PRO 9 Cb -0.05 -3.92 0.05 0.00 0.04 0.00 0.00 34.50 30.62 1wgs s PRO 9 CO -0.15 -1.22 1.13 -1.83 0.04 0.00 0.00 177.00 174.98 1wgs s GLU 10 N 4.36 2.17 0.32 4.56 -1.05 -1.26 -5.06 118.70 122.75 1wgs s GLU 10 Ca 0.59 1.45 0.03 0.00 -0.15 0.00 0.00 54.97 56.88 1wgs s GLU 10 Cb -0.17 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.61 1wgs s GLU 10 CO 0.25 -1.75 0.11 0.54 0.95 0.00 0.00 175.26 175.37 1wgs s VAL 11 N -2.46 0.65 0.23 1.83 0.11 -1.26 -5.17 120.40 114.32 1wgs s VAL 11 Ca 0.67 -2.00 -0.14 0.00 -2.93 0.00 0.00 61.98 57.58 1wgs s VAL 11 Cb -0.22 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1wgs s VAL 11 CO 0.49 0.00 0.49 -0.89 -3.33 0.00 0.00 175.10 171.86 1wgs s THR 12 N -3.49 0.01 0.17 5.04 2.01 -1.26 -5.18 115.64 112.95 1wgs s THR 12 Ca 0.34 -1.25 0.10 0.00 0.31 0.00 0.00 61.69 61.19 1wgs s THR 12 Cb 0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1wgs s THR 12 CO 0.15 -0.05 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.12 1wgs s VAL 13 N -3.98 2.11 -0.12 3.82 1.01 -1.26 -5.02 120.40 116.96 1wgs s VAL 13 Ca 0.18 -1.94 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1wgs s VAL 13 Cb -0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1wgs s VAL 13 CO 0.06 -0.18 -0.17 -1.61 0.00 0.00 0.00 175.10 173.20 1wgs s GLU 14 N -2.63 3.25 0.41 2.72 2.02 -1.26 -5.11 118.70 118.09 1wgs s GLU 14 Ca 0.18 -0.76 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 1wgs s GLU 14 Cb -0.07 -2.50 -0.11 0.00 0.10 0.00 0.00 34.13 31.55 1wgs s GLU 14 CO 0.08 0.20 0.92 0.42 0.02 0.00 0.00 175.26 176.90 1wgs s ILE 15 N 0.35 4.42 0.00 -1.63 -1.09 -1.26 -3.64 121.20 118.35 1wgs s ILE 15 Ca -0.14 1.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1wgs s ILE 15 Cb -0.17 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1wgs s ILE 15 CO 0.07 -0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.13 1wgs n GLY 16 N -0.50 2.81 3.90 6.18 0.00 -0.74 -5.02 105.19 111.81 1wgs n GLY 16 Ca 0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N 0.00 2.96 -0.07 1.61 2.02 -1.24 -4.77 118.70 119.21 1wgs s GLU 17 Ca 0.00 0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.26 1wgs s GLU 17 Cb 0.00 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1wgs s GLU 17 CO 0.00 -0.84 0.03 0.99 0.02 0.00 0.00 175.26 175.46 1wgs s THR 18 N -3.18 4.48 0.18 3.63 2.01 -1.26 -1.81 115.64 119.70 1wgs s THR 18 Ca 0.56 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1wgs s THR 18 Cb -0.11 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1wgs s THR 18 CO 0.49 0.56 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.66 1wgs s TYR 19 N -0.95 1.31 -0.38 4.92 1.51 0.24 -4.88 117.35 119.13 1wgs s TYR 19 Ca 0.15 -0.96 -0.25 0.00 -1.01 0.00 0.00 57.07 55.00 1wgs s TYR 19 Cb -0.11 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1wgs s TYR 19 CO 0.04 -0.12 0.91 -0.51 -1.11 0.00 0.00 175.55 174.76 1wgs s LEU 20 N -3.21 4.01 -0.16 -1.29 2.01 -1.26 0.18 118.68 118.96 1wgs s LEU 20 Ca 0.24 0.49 -0.08 0.00 0.01 0.00 0.00 54.13 54.79 1wgs s LEU 20 Cb 0.05 -3.23 -0.04 0.00 0.01 0.00 0.00 46.19 42.98 1wgs s LEU 20 CO 0.05 -0.87 0.10 0.00 1.01 0.00 0.00 176.35 176.64 1wgs s ARG 22 N -0.15 4.11 -0.09 0.00 3.52 -0.68 -0.94 118.95 124.72 1wgs s ARG 22 Ca 0.09 2.59 -0.04 0.00 -0.13 0.00 0.00 55.73 58.24 1wgs s ARG 22 Cb -0.12 -2.99 0.05 0.00 -1.56 0.00 0.00 34.95 30.33 1wgs s ARG 22 CO 0.01 -0.59 0.18 1.03 -0.81 0.00 0.00 175.30 175.12 1wgs s ARG 23 N -1.36 0.06 -1.21 5.12 0.52 -1.16 -4.86 118.95 116.06 1wgs s ARG 23 Ca 0.58 0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 56.19 1wgs s ARG 23 Cb -0.47 -0.22 -0.02 0.00 0.52 0.00 0.00 34.95 34.75 1wgs s ARG 23 CO 0.56 -0.30 1.90 -0.35 0.02 0.00 0.00 175.30 177.13 1wgs n PRO 24 N 5.33 2.34 0.00 3.54 -0.04 -1.26 -3.79 135.00 141.13 1wgs n PRO 24 Ca -0.05 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1wgs n PRO 24 Cb 0.50 -3.48 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 1wgs n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wgs n ASP 25 N 10.19 0.00 0.00 3.54 -0.08 -1.26 -5.04 116.55 123.90 1wgs n ASP 25 Ca 0.48 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1wgs n ASP 25 Cb 0.45 0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1wgs n ASP 25 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wgs n SER 26 N -2.33 0.00 0.00 1.67 2.88 -1.25 -5.16 113.62 109.43 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wgs n SER 26 Cb 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wgs n THR 27 N -1.92 0.00 -3.53 2.46 5.66 -1.25 -5.03 114.28 110.67 1wgs n THR 27 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1wgs n THR 27 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.31 3.40 -0.02 1.09 0.52 -1.26 -2.97 118.94 119.39 1wgs s TRP 28 Ca 0.00 0.15 0.01 0.00 0.02 0.00 0.00 56.10 56.28 1wgs s TRP 28 Cb 0.00 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1wgs s TRP 28 CO 0.00 0.15 -0.02 -1.01 0.02 0.00 0.00 176.95 176.09 1wgs s HIS 29 N -2.22 0.39 0.18 -1.98 3.76 -0.11 -4.91 115.29 110.40 1wgs s HIS 29 Ca 0.40 -0.05 -0.31 0.00 -0.15 0.00 0.00 55.06 54.95 1wgs s HIS 29 Cb -0.09 -0.38 -0.09 0.00 1.11 0.00 0.00 32.58 33.12 1wgs s HIS 29 CO 0.33 -0.09 1.45 -1.12 -0.85 0.00 0.00 174.74 174.46 1wgs s SER 30 N 0.61 6.71 0.10 1.40 0.01 -1.26 0.63 113.70 121.90 1wgs s SER 30 Ca -0.06 2.53 0.03 0.00 1.31 0.00 0.00 55.95 59.75 1wgs s SER 30 Cb -0.10 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 1wgs s SER 30 CO -0.01 -0.71 -0.08 0.00 0.41 0.00 0.00 173.24 172.85 1wgs s ALA 31 N 0.66 1.06 -0.24 1.44 0.00 0.49 -4.43 121.76 120.75 1wgs s ALA 31 Ca 0.64 -1.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1wgs s ALA 31 Cb -0.40 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1wgs s ALA 31 CO 0.35 -0.14 0.19 -1.83 0.00 0.00 0.00 175.76 174.33 1wgs s GLU 32 N -3.38 4.08 -0.95 0.00 -1.05 -0.82 0.82 118.70 117.40 1wgs s GLU 32 Ca 0.09 -0.22 -0.24 0.00 -0.15 0.00 0.00 54.97 54.45 1wgs s GLU 32 Cb 0.02 -3.54 0.03 0.00 -0.44 0.00 0.00 34.13 30.19 1wgs s GLU 32 CO -0.02 0.05 1.53 0.08 0.95 0.00 0.00 175.26 177.84 1wgs s VAL 33 N 1.09 3.79 0.07 1.83 1.01 -0.75 -0.94 120.40 126.50 1wgs s VAL 33 Ca 0.09 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1wgs s VAL 33 Cb -0.14 -4.81 -0.14 0.00 0.00 0.00 0.00 36.38 31.29 1wgs s VAL 33 CO 0.05 -1.72 1.45 0.40 0.00 0.00 0.00 175.10 175.28 1wgs h ILE 34 N 6.78 0.00 -2.92 2.22 2.04 -0.28 -1.98 117.51 123.37 1wgs h ILE 34 Ca 0.10 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 1wgs h ILE 34 Cb 1.02 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1wgs h ILE 34 CO 1.36 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 179.51 1wgs n GLN 35 N -4.89 0.47 -4.20 2.37 1.13 -1.24 -4.48 117.38 106.54 1wgs n GLN 35 Ca -0.10 -1.43 -0.14 0.00 -1.94 0.00 0.00 57.00 53.40 1wgs n GLN 35 Cb 0.37 1.49 -0.10 0.00 0.11 0.00 0.00 30.24 32.11 1wgs n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wgs s SER 36 N -2.17 1.53 0.12 1.08 1.04 -1.26 -1.17 113.70 112.87 1wgs s SER 36 Ca 0.14 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.41 1wgs s SER 36 Cb -0.01 0.02 0.07 0.00 0.10 0.00 0.00 66.02 66.19 1wgs s SER 36 CO 0.10 -0.32 0.60 0.00 0.98 0.00 0.00 173.24 174.60 1wgs s ARG 37 N -3.32 1.23 -0.07 4.02 1.70 0.12 -4.98 118.95 117.65 1wgs s ARG 37 Ca 0.11 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 55.03 1wgs s ARG 37 Cb 0.00 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1wgs s ARG 37 CO -0.01 -0.51 -0.13 0.08 -1.08 0.00 0.00 175.30 173.65 1wgs s VAL 38 N -3.32 3.18 -0.33 4.99 1.01 -1.26 0.89 120.40 125.56 1wgs s VAL 38 Ca -0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1wgs s VAL 38 Cb -0.01 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1wgs s VAL 38 CO -0.09 0.58 0.29 0.20 0.00 0.00 0.00 175.10 176.08 1wgs s ASN 39 N -0.54 6.11 -0.11 3.32 -0.87 0.47 -4.95 114.94 118.37 1wgs s ASN 39 Ca 0.08 -0.25 -0.27 0.00 -1.57 0.00 0.00 52.86 50.84 1wgs s ASN 39 Cb -0.12 -2.16 -0.24 0.00 -0.02 0.00 0.00 41.25 38.71 1wgs s ASN 39 CO 0.02 -0.25 0.86 0.44 -2.57 0.00 0.00 177.10 175.60 1wgs h ASP 40 N 8.44 -0.01 -0.33 -1.22 5.19 -1.95 1.42 116.42 127.97 1wgs h ASP 40 Ca -0.31 -0.84 0.07 0.00 -0.62 0.00 0.00 57.03 55.33 1wgs h ASP 40 Cb 1.16 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.60 1wgs h ASP 40 CO 0.65 0.86 -0.16 1.56 -3.12 0.00 0.00 179.24 179.02 1wgs h GLN 41 N -0.89 -0.10 0.19 3.56 1.08 -1.97 -2.77 115.11 114.21 1wgs h GLN 41 Ca -0.00 0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.94 1wgs h GLN 41 Cb 0.85 0.02 0.03 0.00 -0.05 0.00 0.00 27.48 28.33 1wgs h GLN 41 CO 0.00 -0.07 -1.20 0.93 -0.95 0.00 0.00 178.83 177.54 1wgs h GLU 42 N -0.11 0.39 -1.48 1.46 4.39 -1.99 -3.49 114.58 113.77 1wgs h GLU 42 Ca 0.17 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1wgs h GLU 42 Cb 0.36 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wgs h GLU 42 CO -0.40 1.32 0.00 0.41 -1.16 0.00 0.00 179.01 179.18 1wgs n GLY 43 N 1.71 0.58 3.58 -3.84 0.00 0.47 -5.07 105.19 102.63 1wgs n GLY 43 Ca -0.17 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1wgs n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wgs s ARG 44 N -2.36 1.46 0.66 1.61 1.70 -0.34 -4.95 118.95 116.74 1wgs s ARG 44 Ca 0.00 -0.83 -0.09 0.00 -0.47 0.00 0.00 55.73 54.34 1wgs s ARG 44 Cb 0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 1wgs s ARG 44 CO 0.00 -0.64 1.01 -1.21 -1.08 0.00 0.00 175.30 173.38 1wgs s GLU 45 N -3.87 2.76 -0.21 3.89 2.02 -1.26 0.18 118.70 122.21 1wgs s GLU 45 Ca 0.09 0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.12 1wgs s GLU 45 Cb -0.02 -2.14 0.07 0.00 0.10 0.00 0.00 34.13 32.14 1wgs s GLU 45 CO -0.02 -0.95 0.52 -1.21 0.02 0.00 0.00 175.26 173.62 1wgs s GLU 46 N -5.21 0.52 -0.17 1.61 2.02 0.26 -4.60 118.70 113.13 1wgs s GLU 46 Ca 0.57 0.93 0.01 0.00 0.02 0.00 0.00 54.97 56.49 1wgs s GLU 46 Cb -0.11 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.19 1wgs s GLU 46 CO 0.48 -0.15 -0.17 -0.06 0.02 0.00 0.00 175.26 175.38 1wgs s PHE 47 N 1.37 2.77 -0.89 1.61 0.08 0.55 0.11 117.98 123.59 1wgs s PHE 47 Ca -0.09 -1.30 -0.25 0.00 0.12 0.00 0.00 56.93 55.42 1wgs s PHE 47 Cb -0.07 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.50 1wgs s PHE 47 CO -0.14 -0.62 1.48 -0.47 -0.10 0.00 0.00 175.22 175.37 1wgs s TYR 48 N 1.04 2.31 -0.09 0.36 5.04 -0.32 0.87 117.35 126.56 1wgs s TYR 48 Ca -0.01 -0.31 -0.12 0.00 -2.44 0.00 0.00 57.07 54.18 1wgs s TYR 48 Cb -0.14 -4.56 -0.05 0.00 0.35 0.00 0.00 41.96 37.55 1wgs s TYR 48 CO -0.05 -1.99 0.29 0.14 -1.34 0.00 0.00 175.55 172.60 1wgs s VAL 49 N 6.06 5.26 -0.19 3.14 -7.23 -1.14 0.50 120.40 126.80 1wgs s VAL 49 Ca 0.47 0.56 -0.02 0.00 -1.81 0.00 0.00 61.98 61.17 1wgs s VAL 49 Cb -0.04 -3.60 -0.00 0.00 0.56 0.00 0.00 36.38 33.30 1wgs s VAL 49 CO 0.01 0.52 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.95 1wgs s HIS 50 N -0.48 2.90 -1.08 2.82 2.46 -0.11 -3.89 115.29 117.90 1wgs s HIS 50 Ca 0.19 -1.00 -0.22 0.00 0.47 0.00 0.00 55.06 54.49 1wgs s HIS 50 Cb -0.14 -2.02 -0.02 0.00 -0.13 0.00 0.00 32.58 30.27 1wgs s HIS 50 CO 0.07 -0.52 1.80 0.71 -2.47 0.00 0.00 174.74 174.33 1wgs s TYR 51 N 1.21 2.18 0.10 3.88 2.02 -1.25 -1.95 117.35 123.53 1wgs s TYR 51 Ca 0.02 -0.14 -0.31 0.00 -0.37 0.00 0.00 57.07 56.27 1wgs s TYR 51 Cb -0.14 -4.30 -0.10 0.00 -0.40 0.00 0.00 41.96 37.02 1wgs s TYR 51 CO -0.03 -1.65 1.85 0.14 -1.57 0.00 0.00 175.55 174.29 1wgs s VAL 52 N 8.19 2.69 0.00 0.71 -7.23 -1.26 -2.46 120.40 121.04 1wgs s VAL 52 Ca 0.61 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 1wgs s VAL 52 Cb -0.02 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1wgs s VAL 52 CO 0.03 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1wgs n GLY 53 N 4.30 3.06 0.61 2.32 0.00 -1.26 -5.02 105.19 109.18 1wgs n GLY 53 Ca 0.18 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 1wgs n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgs n PHE 54 N 0.00 -2.59 -0.49 1.61 3.01 -1.03 -4.97 117.46 113.01 1wgs n PHE 54 Ca 0.00 -0.16 -0.29 0.00 1.01 0.00 0.00 57.45 58.01 1wgs n PHE 54 Cb 0.00 -0.22 0.25 0.00 -0.01 0.00 0.00 39.48 39.50 1wgs n PHE 54 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wgs n ASN 55 N -3.47 -1.79 -0.30 4.37 4.13 -1.26 -4.92 115.26 112.02 1wgs n ASN 55 Ca 0.03 -0.16 0.12 0.00 1.68 0.00 0.00 54.58 56.24 1wgs n ASN 55 Cb 0.11 -1.24 0.24 0.00 -1.54 0.00 0.00 39.78 37.35 1wgs n ASN 55 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1wgs n ARG 56 N -4.80 0.87 -0.89 3.52 5.12 -1.26 -3.96 116.66 115.26 1wgs n ARG 56 Ca 0.03 -0.59 -0.16 0.00 -1.93 0.00 0.00 57.85 55.20 1wgs n ARG 56 Cb 0.54 -1.49 0.15 0.00 -1.16 0.00 0.00 32.46 30.51 1wgs n ARG 56 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1wgs n ARG 57 N -0.55 2.11 -3.55 5.56 1.85 -1.26 -4.55 116.66 116.27 1wgs n ARG 57 Ca 0.11 -2.24 -0.27 0.00 -1.00 0.00 0.00 57.85 54.45 1wgs n ARG 57 Cb 0.38 -1.89 -0.10 0.00 -1.05 0.00 0.00 32.46 29.80 1wgs n ARG 57 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wgs n LEU 58 N -0.61 1.58 -3.68 2.89 4.77 -1.25 -5.04 117.00 115.65 1wgs n LEU 58 Ca 0.42 -4.90 -0.26 0.00 -0.03 0.00 0.00 56.01 51.24 1wgs n LEU 58 Cb 1.33 -0.11 -0.17 0.00 -2.33 0.00 0.00 43.42 42.15 1wgs n LEU 58 CO 0.43 1.89 -0.35 -1.81 -1.33 0.00 0.00 177.39 176.22 1wgs s ASP 59 N -1.10 2.34 0.10 -1.43 1.01 -1.26 -3.90 116.67 112.44 1wgs s ASP 59 Ca 0.32 -0.55 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 1wgs s ASP 59 Cb 0.05 -0.39 0.01 0.00 1.01 0.00 0.00 42.92 43.59 1wgs s ASP 59 CO -0.14 -0.30 0.25 -1.83 0.21 0.00 0.00 175.17 173.35 1wgs s GLU 60 N 2.01 0.93 0.53 8.23 -1.05 -1.25 -5.06 118.70 123.03 1wgs s GLU 60 Ca 0.02 -0.91 -0.16 0.00 -0.15 0.00 0.00 54.97 53.76 1wgs s GLU 60 Cb -0.16 0.38 -0.07 0.00 -0.44 0.00 0.00 34.13 33.84 1wgs s GLU 60 CO -0.08 -0.32 0.99 -1.58 0.95 0.00 0.00 175.26 175.23 1wgs s TRP 61 N -3.85 3.42 0.06 4.83 0.52 -1.26 -2.90 118.94 119.75 1wgs s TRP 61 Ca 0.05 1.46 -0.03 0.00 0.02 0.00 0.00 56.10 57.61 1wgs s TRP 61 Cb 0.04 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.52 1wgs s TRP 61 CO -0.10 -0.44 0.03 0.14 0.02 0.00 0.00 176.95 176.59 1wgs s VAL 62 N -2.63 0.19 0.17 4.03 -7.23 0.25 -4.80 120.40 110.38 1wgs s VAL 62 Ca 0.59 -1.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1wgs s VAL 62 Cb -0.10 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1wgs s VAL 62 CO 0.33 -0.87 0.11 -1.81 -0.31 0.00 0.00 175.10 172.54 1wgs s ASP 63 N -2.79 5.37 0.36 4.85 1.11 -1.26 0.21 116.67 124.52 1wgs s ASP 63 Ca 0.05 -0.18 0.19 0.00 0.18 0.00 0.00 52.55 52.78 1wgs s ASP 63 Cb 0.06 -1.36 1.27 0.00 1.07 0.00 0.00 42.92 43.96 1wgs s ASP 63 CO -0.09 0.07 1.58 0.50 1.18 0.00 0.00 175.17 178.41 1wgs h LYS 64 N 2.46 0.02 -0.23 8.23 3.64 -1.89 1.50 116.57 130.30 1wgs h LYS 64 Ca -0.47 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1wgs h LYS 64 Cb 1.20 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 1wgs h LYS 64 CO 0.62 0.02 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.78 1wgs h ASN 65 N 0.02 -0.41 0.68 4.20 2.35 -2.00 0.35 115.58 120.78 1wgs h ASN 65 Ca 0.82 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.66 1wgs h ASN 65 Cb 2.11 0.22 0.00 0.00 0.05 0.00 0.00 38.32 40.70 1wgs h ASN 65 CO -0.77 -0.16 0.00 0.03 -1.65 0.00 0.00 177.43 174.88 1wgs h ARG 66 N -0.10 0.00 -6.32 0.81 3.08 0.16 -3.43 114.38 108.58 1wgs h ARG 66 Ca 0.13 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.73 1wgs h ARG 66 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1wgs h ARG 66 CO -0.29 0.00 -0.34 -0.51 -1.07 0.00 0.00 179.97 177.76 1wgs s LEU 67 N -4.74 3.84 -0.27 3.04 1.43 0.12 -1.69 118.68 120.41 1wgs s LEU 67 Ca 0.03 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1wgs s LEU 67 Cb 0.09 -2.64 0.08 0.00 0.03 0.00 0.00 46.19 43.75 1wgs s LEU 67 CO 0.39 -0.50 0.03 0.00 0.23 0.00 0.00 176.35 176.50 1wgs s ALA 68 N -2.24 1.81 -0.39 4.21 0.00 -0.99 -4.84 121.76 119.33 1wgs s ALA 68 Ca 0.47 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1wgs s ALA 68 Cb -0.09 -1.55 0.10 0.00 0.00 0.00 0.00 23.12 21.59 1wgs s ALA 68 CO 0.31 -1.44 0.16 -0.48 0.00 0.00 0.00 175.76 174.31 1wgs s LEU 69 N 1.47 5.06 0.06 0.00 2.34 -1.26 -4.28 118.68 122.06 1wgs s LEU 69 Ca 0.03 -2.00 0.00 0.00 0.06 0.00 0.00 54.13 52.22 1wgs s LEU 69 Cb -0.18 -1.78 0.00 0.00 -0.56 0.00 0.00 46.19 43.67 1wgs s LEU 69 CO -0.14 -0.49 0.00 0.41 -1.06 0.00 0.00 176.35 175.07 1wgs n THR 70 N 4.53 0.00 -2.63 5.48 -1.04 -1.26 -4.47 114.28 114.88 1wgs n THR 70 Ca -0.02 0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1wgs n THR 70 Cb 0.42 -0.10 -0.01 0.00 -1.82 0.00 0.00 70.33 68.82 1wgs n THR 70 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wgs s LYS 71 N -1.35 3.85 0.00 -2.82 3.01 -1.26 -4.05 119.74 117.11 1wgs s LYS 71 Ca 0.00 -1.77 0.00 0.00 -1.01 0.00 0.00 55.97 53.19 1wgs s LYS 71 Cb 0.00 -5.39 0.00 0.00 -1.01 0.00 0.00 37.83 31.43 1wgs s LYS 71 CO 0.00 -2.16 0.00 2.41 0.51 0.00 0.00 175.35 176.11 1wgs n THR 72 N 6.31 0.00 -0.05 2.17 -1.04 -1.26 -4.99 114.28 115.42 1wgs n THR 72 Ca 0.41 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.39 1wgs n THR 72 Cb 0.47 -0.16 -0.01 0.00 -1.82 0.00 0.00 70.33 68.82 1wgs n THR 72 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1wgs h VAL 73 N 0.00 0.00 -0.67 12.58 2.07 -1.84 -3.43 116.25 124.97 1wgs h VAL 73 Ca 0.00 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 1wgs h VAL 73 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1wgs h VAL 73 CO 0.00 0.00 0.43 -0.75 0.02 0.00 0.00 177.57 177.27 1wgs s LYS 74 N -1.83 1.84 1.07 1.57 2.36 -1.26 -4.91 119.74 118.58 1wgs s LYS 74 Ca -0.09 0.54 -0.12 0.00 -2.55 0.00 0.00 55.97 53.74 1wgs s LYS 74 Cb 0.01 -4.78 0.23 0.00 -1.05 0.00 0.00 37.83 32.25 1wgs s LYS 74 CO 0.14 -4.06 1.06 -0.51 1.55 0.00 0.00 175.35 173.53 1wgs s ASP 75 N 10.62 1.80 -0.13 1.43 1.01 -1.26 -4.92 116.67 125.23 1wgs s ASP 75 Ca 0.89 1.59 -0.15 0.00 0.71 0.00 0.00 52.55 55.60 1wgs s ASP 75 Cb -0.13 -2.28 -0.25 0.00 1.01 0.00 0.00 42.92 41.27 1wgs s ASP 75 CO 0.10 -3.70 0.43 0.00 0.21 0.00 0.00 175.17 172.21 1wgs h ALA 76 N -2.28 0.27 -0.18 5.23 0.00 -1.93 -3.30 119.26 117.06 1wgs h ALA 76 Ca -0.56 -1.19 0.05 0.00 0.00 0.00 0.00 54.91 53.21 1wgs h ALA 76 Cb 1.32 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1wgs h ALA 76 CO 0.50 0.93 0.44 -0.24 0.00 0.00 0.00 179.25 180.88 1wgs h VAL 77 N -0.35 0.13 -3.25 0.00 3.04 -1.94 -3.40 116.25 110.48 1wgs h VAL 77 Ca -0.35 0.00 -0.53 0.00 -1.01 0.00 0.00 66.70 64.82 1wgs h VAL 77 Cb 1.74 0.60 0.04 0.00 -2.01 0.00 0.00 31.29 31.65 1wgs h VAL 77 CO 0.01 0.00 0.72 -1.58 -1.01 0.00 0.00 177.57 175.71 1wgs s GLN 78 N -4.28 4.33 0.45 4.17 2.00 -1.25 -4.93 119.66 120.15 1wgs s GLN 78 Ca -0.03 2.15 -0.22 0.00 -2.00 0.00 0.00 55.36 55.26 1wgs s GLN 78 Cb 0.11 -3.18 -0.11 0.00 0.80 0.00 0.00 33.01 30.62 1wgs s GLN 78 CO 0.36 -0.37 0.63 1.63 -0.50 0.00 0.00 175.29 177.04 1wgs n LYS 79 N 2.96 0.70 -1.21 1.67 5.02 -1.26 -4.58 118.16 121.45 1wgs n LYS 79 Ca 0.08 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1wgs n LYS 79 Cb 0.42 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1wgs n LYS 79 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wgs n ASN 80 N 0.95 -6.59 0.10 4.39 5.15 -1.26 -4.97 115.26 113.02 1wgs n ASN 80 Ca 0.11 1.34 0.00 0.00 -0.60 0.00 0.00 54.58 55.43 1wgs n ASN 80 Cb 0.41 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 36.02 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wgs n SER 81 N -2.04 0.28 -2.19 1.20 2.88 -1.26 -4.98 113.62 107.52 1wgs n SER 81 Ca 0.00 0.32 -0.04 0.00 -1.33 0.00 0.00 58.87 57.83 1wgs n SER 81 Cb 0.29 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1wgs n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wgs n GLU 82 N -3.41 -1.31 -3.63 -1.46 2.13 -1.26 -5.09 120.64 106.61 1wgs n GLU 82 Ca 0.00 1.39 -0.05 0.00 0.66 0.00 0.00 57.16 59.16 1wgs n GLU 82 Cb 0.02 -3.61 -0.06 0.00 0.27 0.00 0.00 31.44 28.07 1wgs n GLU 82 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1wgs s LYS 83 N -1.69 0.23 0.73 5.31 2.47 -1.26 -5.18 119.74 120.34 1wgs s LYS 83 Ca 0.11 0.16 -0.05 0.00 -1.56 0.00 0.00 55.97 54.64 1wgs s LYS 83 Cb -0.03 0.11 0.11 0.00 -1.46 0.00 0.00 37.83 36.55 1wgs s LYS 83 CO 0.40 -0.05 1.02 -0.47 0.16 0.00 0.00 175.35 176.41 1wgs s TYR 84 N -0.42 2.16 0.28 4.03 5.04 -1.26 -5.07 117.35 122.11 1wgs s TYR 84 Ca 0.06 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1wgs s TYR 84 Cb -0.03 -3.19 0.06 0.00 0.35 0.00 0.00 41.96 39.15 1wgs s TYR 84 CO -0.09 -1.64 0.14 1.28 -1.34 0.00 0.00 175.55 173.90 1wgs n LEU 85 N -2.93 0.00 -2.66 6.97 4.32 -1.26 -5.03 117.00 116.41 1wgs n LEU 85 Ca 0.12 -0.14 -0.04 0.00 -0.02 0.00 0.00 56.01 55.92 1wgs n LEU 85 Cb 0.60 -0.20 0.07 0.00 -1.62 0.00 0.00 43.42 42.27 1wgs n LEU 85 CO 0.46 -1.64 0.60 -0.24 -1.22 0.00 0.00 177.39 175.35 1wgs n SER 86 N -2.33 -1.20 -3.64 -1.43 2.88 -1.26 -5.16 113.62 101.48 1wgs n SER 86 Ca 0.02 -1.45 -0.03 0.00 -1.33 0.00 0.00 58.87 56.09 1wgs n SER 86 Cb 0.10 0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 64.14 1wgs n SER 86 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1wgs s GLU 87 N 0.30 0.08 0.00 -1.46 2.12 -1.26 -5.18 118.70 113.30 1wgs s GLU 87 Ca 0.25 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1wgs s GLU 87 Cb 0.19 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1wgs s GLU 87 CO -0.08 -0.02 0.00 -0.11 -0.54 0.00 0.00 175.26 174.51 1wgs n LEU 88 N 0.79 0.00 -3.55 2.70 -0.00 -1.26 -5.19 117.00 110.50 1wgs n LEU 88 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.92 1wgs n LEU 88 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.98 1wgs n LEU 88 CO 0.06 0.00 0.84 0.00 -0.00 0.00 0.00 177.39 178.29 1wgs s ALA 89 N -1.63 -1.94 0.40 1.96 0.00 -1.26 -5.14 121.76 114.15 1wgs s ALA 89 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1wgs s ALA 89 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1wgs s ALA 89 CO 0.00 -0.64 0.00 -1.91 0.00 0.00 0.00 175.76 173.21 1wgs n GLU 90 N -0.17 -4.42 -1.29 0.00 2.13 -1.26 -4.94 120.64 110.69 1wgs n GLU 90 Ca -0.04 3.24 -0.30 0.00 0.66 0.00 0.00 57.16 60.71 1wgs n GLU 90 Cb 0.60 -3.60 0.11 0.00 0.27 0.00 0.00 31.44 28.82 1wgs n GLU 90 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1wgs s GLN 91 N -3.08 1.82 0.02 5.31 1.11 -1.26 -4.97 119.66 118.61 1wgs s GLN 91 Ca 0.00 0.93 -0.30 0.00 0.01 0.00 0.00 55.36 55.99 1wgs s GLN 91 Cb 0.00 -1.87 -0.05 0.00 -1.01 0.00 0.00 33.01 30.09 1wgs s GLN 91 CO 0.00 -1.88 1.18 -1.25 0.01 0.00 0.00 175.29 173.36 1wgs s PRO 92 N -4.96 4.42 -0.22 2.91 0.04 -1.26 -5.01 135.00 130.93 1wgs s PRO 92 Ca 0.62 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 63.10 1wgs s PRO 92 Cb -0.17 -3.42 0.12 0.00 0.04 0.00 0.00 34.50 31.06 1wgs s PRO 92 CO 0.56 -0.30 0.97 -2.00 0.04 0.00 0.00 177.00 176.27 1wgs s GLU 93 N 1.41 0.61 0.20 4.56 -6.30 -1.26 -5.18 118.70 112.74 1wgs s GLU 93 Ca 0.57 0.43 0.11 0.00 -2.50 0.00 0.00 54.97 53.58 1wgs s GLU 93 Cb -0.27 0.29 -0.04 0.00 0.00 0.00 0.00 34.13 34.10 1wgs s GLU 93 CO 0.27 -0.13 -0.18 1.03 0.02 0.00 0.00 175.26 176.26 1wgs s ARG 94 N -0.38 1.73 -0.37 4.30 0.52 -1.26 -5.09 118.95 118.40 1wgs s ARG 94 Ca -0.00 -1.46 -0.03 0.00 -0.52 0.00 0.00 55.73 53.72 1wgs s ARG 94 Cb -0.03 -1.95 0.19 0.00 0.52 0.00 0.00 34.95 33.68 1wgs s ARG 94 CO -0.01 0.40 0.93 0.21 0.02 0.00 0.00 175.30 176.84 1wgs s LYS 95 N -2.83 0.44 1.16 3.54 2.36 -1.26 -5.16 119.74 117.98 1wgs s LYS 95 Ca 0.23 -0.25 -0.13 0.00 -2.55 0.00 0.00 55.97 53.27 1wgs s LYS 95 Cb -0.08 0.02 0.28 0.00 -1.05 0.00 0.00 37.83 37.00 1wgs s LYS 95 CO 0.12 -0.60 1.03 -1.50 1.55 0.00 0.00 175.35 175.96 1wgs s ILE 96 N 1.60 1.99 -0.11 5.43 2.07 -1.26 -5.06 121.20 125.86 1wgs s ILE 96 Ca 0.19 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.13 1wgs s ILE 96 Cb 0.03 -2.14 0.11 0.00 0.13 0.00 0.00 42.46 40.59 1wgs s ILE 96 CO -0.11 0.00 0.90 0.28 -1.91 0.00 0.00 174.94 174.10 1wgs s THR 97 N -2.55 0.00 0.00 4.00 -1.32 -1.26 -5.18 115.64 109.33 1wgs s THR 97 Ca 0.68 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1wgs s THR 97 Cb -0.24 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 1wgs s THR 97 CO 0.63 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.93 1wgs n ARG 98 N 0.64 0.00 0.00 7.08 1.85 -1.26 -5.18 116.66 119.79 1wgs n ARG 98 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 1wgs n ARG 98 Cb 0.58 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.99 1wgs n ARG 98 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1wgs n ASN 99 N 0.00 0.00 -3.60 2.89 3.02 -1.26 -5.19 115.26 111.12 1wgs n ASN 99 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1wgs n ASN 99 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wgs n ASN 99 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1wgs s GLN 100 N -1.45 0.33 0.00 3.52 0.74 -1.26 -5.19 119.66 116.35 1wgs s GLN 100 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.37 1wgs s GLN 100 Cb 0.00 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.26 1wgs s GLN 100 CO 0.00 -0.13 0.00 1.17 -0.55 0.00 0.00 175.29 175.78 1wgs n LYS 101 N 0.23 0.00 -3.64 1.67 4.81 -1.26 -5.19 118.16 114.78 1wgs n LYS 101 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.39 1wgs n LYS 101 Cb 0.58 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.61 1wgs n LYS 101 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1wgs s ARG 102 N -2.00 0.08 -0.08 1.64 6.06 -1.26 -5.19 118.95 118.20 1wgs s ARG 102 Ca 0.00 -0.01 -0.32 0.00 -2.50 0.00 0.00 55.73 52.90 1wgs s ARG 102 Cb 0.00 0.04 0.12 0.00 0.06 0.00 0.00 34.95 35.17 1wgs s ARG 102 CO 0.00 -0.03 1.21 -1.59 -2.50 0.00 0.00 175.30 172.38 1wgs s LYS 103 N -1.62 0.44 -0.08 5.12 -2.85 -1.26 -5.19 119.74 114.30 1wgs s LYS 103 Ca 0.10 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.56 1wgs s LYS 103 Cb -0.01 0.17 0.11 0.00 -2.06 0.00 0.00 37.83 36.04 1wgs s LYS 103 CO -0.05 -0.20 0.94 -3.38 0.10 0.00 0.00 175.35 172.77 1wgs s HIS 104 N -2.52 -0.36 0.00 1.78 -3.43 -1.26 -5.16 115.29 104.34 1wgs s HIS 104 Ca 0.11 0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 1wgs s HIS 104 Cb 0.01 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1wgs s HIS 104 CO -0.04 -0.45 0.00 -3.47 -2.00 0.00 0.00 174.74 168.78 1wgs n ASP 105 N 0.21 0.00 -3.58 7.38 -0.08 -1.26 -5.19 116.55 114.02 1wgs n ASP 105 Ca -0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.14 1wgs n ASP 105 Cb 0.60 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.04 1wgs n ASP 105 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1wgs s GLU 106 N 0.00 0.55 0.22 -0.67 2.56 -1.26 -5.13 118.70 114.97 1wgs s GLU 106 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.74 1wgs s GLU 106 Cb 0.00 0.24 0.00 0.00 2.00 0.00 0.00 34.13 36.37 1wgs s GLU 106 CO 0.00 -0.24 0.00 -0.89 -0.56 0.00 0.00 175.26 173.57 1wgs n ILE 107 N -0.22 -9.43 0.00 -3.70 5.41 -1.26 -5.08 119.36 105.08 1wgs n ILE 107 Ca -0.04 2.62 0.00 0.00 1.00 0.00 0.00 62.75 66.33 1wgs n ILE 107 Cb 0.60 -4.31 0.00 0.00 -0.71 0.00 0.00 39.64 35.22 1wgs n ILE 107 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wgs n ASN 108 N 1.17 0.00 -3.63 4.38 2.85 -1.26 -5.18 115.26 113.59 1wgs n ASN 108 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1wgs n ASN 108 Cb 0.00 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 40.97 1wgs n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1wgs s HIS 109 N 0.00 -0.12 0.32 1.20 2.46 -1.26 -5.18 115.29 112.70 1wgs s HIS 109 Ca 0.00 0.22 0.08 0.00 0.47 0.00 0.00 55.06 55.83 1wgs s HIS 109 Cb 0.00 0.48 -0.06 0.00 -0.13 0.00 0.00 32.58 32.87 1wgs s HIS 109 CO 0.00 -0.11 -0.07 0.54 -2.47 0.00 0.00 174.74 172.64 1wgs s VAL 110 N -0.95 1.91 0.48 0.89 0.11 -1.26 -5.16 120.40 116.42 1wgs s VAL 110 Ca 0.06 -2.15 0.04 0.00 -2.93 0.00 0.00 61.98 57.00 1wgs s VAL 110 Cb -0.01 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.23 1wgs s VAL 110 CO -0.06 -0.22 0.11 0.00 -3.33 0.00 0.00 175.10 171.60 1wgs s GLN 111 N -3.68 2.17 -0.30 1.54 1.03 -1.26 -5.13 119.66 114.03 1wgs s GLN 111 Ca 0.32 -2.17 -0.15 0.00 0.04 0.00 0.00 55.36 53.40 1wgs s GLN 111 Cb 0.04 -1.74 0.18 0.00 0.03 0.00 0.00 33.01 31.51 1wgs s GLN 111 CO 0.15 -0.31 1.12 0.21 -2.54 0.00 0.00 175.29 173.91 1wgs s LYS 112 N -3.93 0.11 0.18 9.60 2.20 -1.26 -5.17 119.74 121.47 1wgs s LYS 112 Ca 0.23 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 1wgs s LYS 112 Cb 0.03 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1wgs s LYS 112 CO 0.13 -0.15 0.17 0.95 -0.36 0.00 0.00 175.35 176.09 1wgs s THR 113 N 2.97 4.59 -0.25 3.43 -4.23 -1.26 -5.12 115.64 115.77 1wgs s THR 113 Ca 0.07 -1.11 -0.28 0.00 -1.18 0.00 0.00 61.69 59.19 1wgs s THR 113 Cb -0.06 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.56 1wgs s THR 113 CO -0.14 -0.17 1.23 -0.47 -0.54 0.00 0.00 174.62 174.54 1wgs s TYR 114 N -1.84 -0.19 -0.30 3.99 6.14 -1.26 -5.15 117.35 118.75 1wgs s TYR 114 Ca 0.32 0.36 -0.16 0.00 0.64 0.00 0.00 57.07 58.23 1wgs s TYR 114 Cb -0.10 0.47 0.18 0.00 0.42 0.00 0.00 41.96 42.92 1wgs s TYR 114 CO 0.24 -0.14 1.16 0.00 0.64 0.00 0.00 175.55 177.44 1wgs s ALA 115 N -0.72 -3.86 -0.35 3.97 0.00 -1.26 -5.12 121.76 114.41 1wgs s ALA 115 Ca 0.05 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.35 1wgs s ALA 115 Cb -0.02 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.57 1wgs s ALA 115 CO -0.06 -1.63 0.15 -1.21 0.00 0.00 0.00 175.76 173.01 1wgs s GLU 116 N 2.98 0.80 0.42 0.00 2.02 -1.26 -5.12 118.70 118.54 1wgs s GLU 116 Ca 0.01 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 53.75 1wgs s GLU 116 Cb -0.07 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 1wgs s GLU 116 CO -0.11 -1.06 0.10 -1.64 0.02 0.00 0.00 175.26 172.56 1wgs s MET 117 N 1.25 2.10 -0.30 1.61 -1.94 -1.26 -5.14 119.30 115.62 1wgs s MET 117 Ca 0.13 -2.00 -0.17 0.00 -1.71 0.00 0.00 55.69 51.94 1wgs s MET 117 Cb -0.20 -1.80 0.18 0.00 2.01 0.00 0.00 34.83 35.02 1wgs s MET 117 CO -0.16 -0.11 1.10 0.16 -0.01 0.00 0.00 175.02 176.01 1wgs s ASP 118 N -3.82 -0.37 0.00 3.03 1.47 -1.26 -5.10 116.67 110.62 1wgs s ASP 118 Ca 0.36 0.52 0.00 0.00 1.18 0.00 0.00 52.55 54.61 1wgs s ASP 118 Cb 0.07 1.38 0.00 0.00 -0.34 0.00 0.00 42.92 44.03 1wgs s ASP 118 CO 0.19 -0.07 0.20 -0.81 0.68 0.00 0.00 175.17 175.36 1wgs n PRO 119 N 4.58 0.00 -3.51 2.11 -0.04 -1.26 -5.05 135.00 131.84 1wgs n PRO 119 Ca -0.10 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1wgs n PRO 119 Cb 0.54 -0.94 -0.02 0.00 -0.04 0.00 0.00 33.50 33.05 1wgs n PRO 119 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wgs s THR 120 N -1.03 0.00 -0.30 0.52 -1.32 -1.26 -5.14 115.64 107.11 1wgs s THR 120 Ca 0.00 -0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.30 1wgs s THR 120 Cb 0.00 -1.16 0.10 0.00 -1.51 0.00 0.00 72.50 69.93 1wgs s THR 120 CO 0.00 0.00 0.13 0.42 -2.21 0.00 0.00 174.62 172.96 1wgs s THR 121 N -3.61 0.16 0.00 5.08 -4.23 -1.26 -5.10 115.64 106.68 1wgs s THR 121 Ca 0.04 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1wgs s THR 121 Cb -0.02 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1wgs s THR 121 CO -0.09 -0.74 0.00 0.00 -0.54 0.00 0.00 174.62 173.25 1wgs n ALA 122 N 5.04 0.00 -3.78 3.99 0.00 -1.26 -5.19 120.51 119.32 1wgs n ALA 122 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1wgs n ALA 122 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1wgs n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgs n ALA 123 N -0.28 0.09 -2.00 0.00 0.00 -1.26 -5.16 120.51 111.90 1wgs n ALA 123 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1wgs n ALA 123 Cb 0.00 0.98 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1wgs n ALA 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wgs n LEU 124 N 0.00 0.00 -1.13 0.00 -0.00 -1.26 -5.13 117.00 109.48 1wgs n LEU 124 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1wgs n LEU 124 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1wgs n LEU 124 CO 0.21 0.00 -0.30 1.21 -0.00 0.00 0.00 177.39 178.51 1wgs n GLU 125 N 0.00 -3.20 -2.88 1.47 4.07 -1.26 -5.11 120.64 113.73 1wgs n GLU 125 Ca 0.00 2.33 -0.02 0.00 -0.06 0.00 0.00 57.16 59.41 1wgs n GLU 125 Cb 0.00 -2.58 0.01 0.00 -0.06 0.00 0.00 31.44 28.81 1wgs n GLU 125 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wgs n LYS 126 N -0.18 0.39 -3.58 5.31 4.76 -1.26 -5.18 118.16 118.41 1wgs n LYS 126 Ca 0.00 -0.88 -0.13 0.00 -2.87 0.00 0.00 58.31 54.42 1wgs n LYS 126 Cb 0.00 1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 34.32 1wgs n LYS 126 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wgs s GLU 127 N -2.03 0.78 -0.30 1.97 -1.05 -1.26 -5.17 118.70 111.64 1wgs s GLU 127 Ca 0.14 0.47 -0.24 0.00 -0.15 0.00 0.00 54.97 55.19 1wgs s GLU 127 Cb -0.02 0.37 0.18 0.00 -0.44 0.00 0.00 34.13 34.22 1wgs s GLU 127 CO 0.03 -0.18 1.35 -1.54 0.95 0.00 0.00 175.26 175.87 1wgs s SER 128 N -0.51 -0.13 -0.18 0.83 1.04 -1.26 -5.19 113.70 108.30 1wgs s SER 128 Ca -0.03 0.24 -0.32 0.00 0.48 0.00 0.00 55.95 56.32 1wgs s SER 128 Cb -0.02 0.32 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1wgs s SER 128 CO 0.02 -0.04 1.15 -0.83 0.98 0.00 0.00 173.24 174.53 1wgs s GLY 129 N 0.16 -0.24 0.53 7.32 0.00 -1.26 -5.18 107.32 108.65 1wgs s GLY 129 Ca 0.05 1.85 -0.09 0.00 0.00 0.00 0.00 44.72 46.53 1wgs s GLY 129 CO -0.14 0.72 0.58 -1.55 0.00 0.00 0.00 173.10 172.72 1wgs n PRO 130 N 0.18 -1.33 0.04 2.90 -0.04 -1.26 -5.06 135.00 130.43 1wgs n PRO 130 Ca -0.03 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1wgs n PRO 130 Cb 0.59 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wgs n SER 131 N -3.66 0.30 -3.57 3.54 3.41 -1.26 -5.15 113.62 107.23 1wgs n SER 131 Ca 0.08 0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.76 1wgs n SER 131 Cb 0.28 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1wgs n SER 131 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wgs s SER 132 N -5.11 -0.23 0.00 4.04 0.15 -1.26 -5.38 113.70 105.91 1wgs s SER 132 Ca 0.00 -0.05 0.31 0.00 0.70 0.00 0.00 55.95 56.91 1wgs s SER 132 Cb 0.00 0.28 1.66 0.00 -1.71 0.00 0.00 66.02 66.25 1wgs s SER 132 CO 0.00 -0.47 2.09 0.61 1.20 0.00 0.00 173.24 176.67