#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 -0.51 0.70 1.61 0.15 -1.26 -5.16 113.70 109.22 1wgs s SER 2 Ca 0.00 0.83 -0.12 0.00 0.70 0.00 0.00 55.95 57.36 1wgs s SER 2 Cb 0.00 0.85 0.01 0.00 -1.71 0.00 0.00 66.02 65.17 1wgs s SER 2 CO 0.00 -0.32 1.08 -0.44 1.20 0.00 0.00 173.24 174.76 1wgs s SER 3 N -0.31 5.09 -0.10 5.45 0.01 -1.26 -5.05 113.70 117.54 1wgs s SER 3 Ca -0.05 1.81 0.02 0.00 1.31 0.00 0.00 55.95 59.04 1wgs s SER 3 Cb -0.03 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1wgs s SER 3 CO 0.03 -1.64 -0.14 -0.83 0.41 0.00 0.00 173.24 171.07 1wgs s GLY 4 N -3.21 1.52 0.13 3.44 0.00 -1.26 -5.11 107.32 102.83 1wgs s GLY 4 Ca 0.62 -0.93 -0.24 0.00 0.00 0.00 0.00 44.72 44.17 1wgs s GLY 4 CO 0.49 -0.41 0.62 -0.56 0.00 0.00 0.00 173.10 173.24 1wgs s SER 5 N -0.04 -0.57 0.13 1.64 0.01 -1.26 -5.08 113.70 108.53 1wgs s SER 5 Ca -0.03 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wgs s SER 5 Cb -0.14 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1wgs s SER 5 CO 0.04 -0.92 0.00 -1.20 0.41 0.00 0.00 173.24 171.57 1wgs n SER 6 N -0.27 0.06 0.00 2.44 7.64 -1.26 -5.15 113.62 117.08 1wgs n SER 6 Ca -0.17 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1wgs n SER 6 Cb 0.64 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 1wgs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgs n GLY 7 N 1.90 5.63 3.43 0.23 0.00 -1.26 -5.14 105.19 109.99 1wgs n GLY 7 Ca 0.00 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 1.62 3.57 -0.15 1.61 4.04 -1.26 -5.08 118.70 123.05 1wgs s GLU 8 Ca 0.00 -0.56 -0.29 0.00 0.04 0.00 0.00 54.97 54.15 1wgs s GLU 8 Cb 0.00 -2.92 -0.02 0.00 0.02 0.00 0.00 34.13 31.21 1wgs s GLU 8 CO 0.00 0.11 1.27 -1.25 -1.84 0.00 0.00 175.26 173.55 1wgs s PRO 9 N 0.70 4.24 -0.12 -4.83 0.04 -1.26 -4.94 135.00 128.82 1wgs s PRO 9 Ca -0.02 1.68 -0.35 0.00 0.04 0.00 0.00 61.00 62.34 1wgs s PRO 9 Cb -0.15 -3.75 -0.12 0.00 0.04 0.00 0.00 34.50 30.52 1wgs s PRO 9 CO 0.02 -0.69 1.88 0.39 0.04 0.00 0.00 177.00 178.64 1wgs n GLU 10 N 6.51 2.03 -1.85 4.56 4.71 -1.26 -4.95 120.64 130.39 1wgs n GLU 10 Ca 0.14 0.74 -0.30 0.00 -0.01 0.00 0.00 57.16 57.73 1wgs n GLU 10 Cb 0.45 -2.58 0.18 0.00 -1.01 0.00 0.00 31.44 28.48 1wgs n GLU 10 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1wgs s VAL 11 N 4.12 1.97 0.09 2.62 0.11 -1.26 -5.10 120.40 122.94 1wgs s VAL 11 Ca 0.94 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.85 1wgs s VAL 11 Cb -0.74 -2.95 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 1wgs s VAL 11 CO 0.54 0.00 0.33 -0.89 -3.33 0.00 0.00 175.10 171.75 1wgs s THR 12 N -3.78 0.09 0.09 5.04 2.01 -1.26 -5.17 115.64 112.66 1wgs s THR 12 Ca 0.72 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.08 1wgs s THR 12 Cb -0.05 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1wgs s THR 12 CO 0.53 -0.39 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.20 1wgs s VAL 13 N -3.31 1.45 -0.04 3.82 1.01 -1.26 -5.01 120.40 117.06 1wgs s VAL 13 Ca 0.00 -1.45 0.05 0.00 0.00 0.00 0.00 61.98 60.58 1wgs s VAL 13 Cb 0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1wgs s VAL 13 CO -0.08 -0.14 -0.18 -1.61 0.00 0.00 0.00 175.10 173.09 1wgs s GLU 14 N -1.86 1.77 0.44 2.72 2.02 -1.26 -5.14 118.70 117.39 1wgs s GLU 14 Ca 0.03 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 54.30 1wgs s GLU 14 Cb -0.10 -1.57 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 1wgs s GLU 14 CO 0.03 0.29 0.77 0.42 0.02 0.00 0.00 175.26 176.79 1wgs s ILE 15 N -0.09 4.86 0.00 -1.63 -1.09 -1.26 -3.94 121.20 118.06 1wgs s ILE 15 Ca -0.01 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 1wgs s ILE 15 Cb -0.11 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1wgs s ILE 15 CO 0.02 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 173.65 1wgs n GLY 16 N -1.78 2.82 3.86 6.18 0.00 -1.14 -5.01 105.19 110.11 1wgs n GLY 16 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1wgs n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgs s GLU 17 N -0.48 3.11 -0.03 1.61 2.56 -1.25 -4.92 118.70 119.30 1wgs s GLU 17 Ca 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 54.97 54.11 1wgs s GLU 17 Cb 0.00 -2.77 -0.05 0.00 2.00 0.00 0.00 34.13 33.31 1wgs s GLU 17 CO 0.00 0.50 0.28 0.99 -0.56 0.00 0.00 175.26 176.47 1wgs s THR 18 N -1.76 5.27 0.19 -1.70 2.01 -1.26 -2.35 115.64 116.03 1wgs s THR 18 Ca 0.32 0.42 0.04 0.00 0.31 0.00 0.00 61.69 62.78 1wgs s THR 18 Cb -0.10 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1wgs s THR 18 CO 0.25 0.51 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.35 1wgs s TYR 19 N -1.15 1.40 -0.30 4.92 1.51 0.08 -4.94 117.35 118.88 1wgs s TYR 19 Ca 0.23 -0.87 -0.23 0.00 -1.01 0.00 0.00 57.07 55.18 1wgs s TYR 19 Cb -0.14 -0.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1wgs s TYR 19 CO 0.11 -0.02 0.77 -0.51 -1.11 0.00 0.00 175.55 174.79 1wgs s LEU 20 N -3.23 4.09 -0.11 -1.29 2.01 -1.26 -0.54 118.68 118.34 1wgs s LEU 20 Ca 0.23 0.68 -0.06 0.00 0.01 0.00 0.00 54.13 54.99 1wgs s LEU 20 Cb 0.05 -3.05 -0.04 0.00 0.01 0.00 0.00 46.19 43.16 1wgs s LEU 20 CO 0.05 -0.58 0.13 0.00 1.01 0.00 0.00 176.35 176.96 1wgs s ARG 22 N -1.07 4.51 -0.04 0.00 3.52 -0.37 -0.29 118.95 125.21 1wgs s ARG 22 Ca 0.16 1.97 -0.02 0.00 -0.13 0.00 0.00 55.73 57.71 1wgs s ARG 22 Cb -0.12 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1wgs s ARG 22 CO 0.05 0.00 0.07 1.03 -0.81 0.00 0.00 175.30 175.64 1wgs s ARG 23 N -1.29 -0.07 -1.22 5.12 0.52 -1.22 -4.86 118.95 115.92 1wgs s ARG 23 Ca 0.48 0.39 -0.08 0.00 -0.52 0.00 0.00 55.73 56.00 1wgs s ARG 23 Cb -0.35 -0.49 -0.07 0.00 0.52 0.00 0.00 34.95 34.56 1wgs s ARG 23 CO 0.44 -0.32 2.46 -0.35 0.02 0.00 0.00 175.30 177.55 1wgs n PRO 24 N 5.27 2.75 0.00 3.54 -0.04 -1.26 -3.53 135.00 141.74 1wgs n PRO 24 Ca -0.04 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1wgs n PRO 24 Cb 0.50 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 4.06 0.97 0.00 3.54 -0.08 -1.26 -5.04 116.55 118.74 1wgs n ASP 25 Ca 0.59 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1wgs n ASP 25 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wgs n SER 26 N -2.51 0.00 -0.91 1.67 7.64 -1.23 -5.16 113.62 113.12 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgs n SER 26 Cb 0.30 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wgs n THR 27 N -1.51 0.00 -1.77 0.44 -2.24 -1.25 -5.08 114.28 102.86 1wgs n THR 27 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1wgs n THR 27 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wgs s TRP 28 N -6.82 3.28 -0.02 4.78 0.52 -1.26 -3.46 118.94 115.96 1wgs s TRP 28 Ca 0.00 1.19 0.01 0.00 0.02 0.00 0.00 56.10 57.31 1wgs s TRP 28 Cb 0.00 -2.96 0.01 0.00 -1.15 0.00 0.00 33.47 29.37 1wgs s TRP 28 CO 0.00 -1.17 -0.02 -1.01 0.02 0.00 0.00 176.95 174.77 1wgs s HIS 29 N -3.23 0.41 0.26 -1.98 3.76 0.60 -4.90 115.29 110.21 1wgs s HIS 29 Ca 0.58 -0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 55.12 1wgs s HIS 29 Cb -0.12 -0.38 -0.11 0.00 1.11 0.00 0.00 32.58 33.08 1wgs s HIS 29 CO 0.53 -0.09 1.59 -1.54 -0.85 0.00 0.00 174.74 174.39 1wgs s SER 30 N 0.52 6.43 -0.11 1.40 1.04 -1.26 -0.92 113.70 120.80 1wgs s SER 30 Ca -0.06 2.87 -0.07 0.00 0.48 0.00 0.00 55.95 59.17 1wgs s SER 30 Cb -0.09 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.45 1wgs s SER 30 CO -0.01 -0.89 0.27 0.00 0.98 0.00 0.00 173.24 173.60 1wgs s ALA 31 N 0.32 -0.64 0.11 5.32 0.00 0.29 -3.78 121.76 123.38 1wgs s ALA 31 Ca 0.65 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 53.32 1wgs s ALA 31 Cb -0.47 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 1wgs s ALA 31 CO 0.43 -0.18 0.87 -1.83 0.00 0.00 0.00 175.76 175.04 1wgs s GLU 32 N 0.93 4.64 -0.51 0.00 -1.05 0.22 -0.74 118.70 122.18 1wgs s GLU 32 Ca -0.06 1.29 -0.25 0.00 -0.15 0.00 0.00 54.97 55.79 1wgs s GLU 32 Cb -0.08 -3.35 0.03 0.00 -0.44 0.00 0.00 34.13 30.30 1wgs s GLU 32 CO -0.06 0.32 0.97 0.08 0.95 0.00 0.00 175.26 177.52 1wgs s VAL 33 N -0.32 4.37 -0.00 1.83 1.01 -0.99 0.19 120.40 126.49 1wgs s VAL 33 Ca 0.42 0.60 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 1wgs s VAL 33 Cb -0.23 -4.52 -0.11 0.00 0.00 0.00 0.00 36.38 31.52 1wgs s VAL 33 CO 0.27 -1.01 0.91 0.40 0.00 0.00 0.00 175.10 175.67 1wgs h ILE 34 N 6.08 0.00 -2.22 2.22 1.08 0.24 -3.03 117.51 121.87 1wgs h ILE 34 Ca -0.25 -0.36 -0.03 0.00 -0.39 0.00 0.00 64.86 63.84 1wgs h ILE 34 Cb 1.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 1wgs h ILE 34 CO 1.07 0.00 -0.00 0.00 -0.69 0.00 0.00 178.15 178.53 1wgs n GLN 35 N -5.00 0.11 -4.28 2.37 1.13 -1.24 -4.62 117.38 105.86 1wgs n GLN 35 Ca -0.09 -0.35 -0.15 0.00 -1.94 0.00 0.00 57.00 54.47 1wgs n GLN 35 Cb 0.29 0.37 -0.10 0.00 0.11 0.00 0.00 30.24 30.91 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 -1.29 1.80 0.16 1.08 1.04 -1.26 -1.90 113.70 113.33 1wgs s SER 36 Ca 0.03 -1.09 -0.24 0.00 0.48 0.00 0.00 55.95 55.13 1wgs s SER 36 Cb -0.00 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.18 1wgs s SER 36 CO 0.02 -0.40 0.86 0.00 0.98 0.00 0.00 173.24 174.70 1wgs s ARG 37 N -3.79 1.29 0.05 4.02 1.70 -0.03 -4.96 118.95 117.23 1wgs s ARG 37 Ca 0.21 -0.66 0.05 0.00 -0.47 0.00 0.00 55.73 54.86 1wgs s ARG 37 Cb 0.04 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1wgs s ARG 37 CO 0.04 -0.58 -0.15 0.08 -1.08 0.00 0.00 175.30 173.60 1wgs s VAL 38 N -3.46 1.20 -0.10 4.99 1.01 -1.26 -1.28 120.40 121.49 1wgs s VAL 38 Ca 0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1wgs s VAL 38 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1wgs s VAL 38 CO 0.00 -0.02 -0.02 0.20 0.00 0.00 0.00 175.10 175.26 1wgs s ASN 39 N -1.29 5.01 -0.16 3.32 -0.87 -0.17 -4.99 114.94 115.79 1wgs s ASN 39 Ca 0.02 0.04 0.03 0.00 -1.57 0.00 0.00 52.86 51.38 1wgs s ASN 39 Cb -0.08 -1.48 -0.23 0.00 -0.02 0.00 0.00 41.25 39.44 1wgs s ASN 39 CO 0.02 0.32 0.20 0.47 -2.57 0.00 0.00 177.10 175.54 1wgs n ASP 40 N 2.51 1.55 0.37 -1.22 9.92 -1.26 -2.02 116.55 126.40 1wgs n ASP 40 Ca -0.18 0.11 -0.17 0.00 -0.53 0.00 0.00 54.79 54.02 1wgs n ASP 40 Cb 0.53 -0.32 -0.09 0.00 -0.64 0.00 0.00 41.12 40.61 1wgs n ASP 40 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1wgs h GLN 41 N 0.03 -0.89 0.13 -1.24 4.20 -1.98 -3.25 115.11 112.11 1wgs h GLN 41 Ca -0.46 0.06 -0.30 0.00 0.06 0.00 0.00 58.65 58.01 1wgs h GLN 41 Cb 2.02 0.20 0.03 0.00 0.30 0.00 0.00 27.48 30.03 1wgs h GLN 41 CO 0.03 -0.57 -1.26 0.93 -0.67 0.00 0.00 178.83 177.28 1wgs h GLU 42 N -1.00 0.61 -2.07 1.46 4.39 -2.00 -3.48 114.58 112.47 1wgs h GLU 42 Ca -0.09 -0.83 0.00 0.00 0.34 0.00 0.00 59.36 58.78 1wgs h GLU 42 Cb 0.73 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1wgs h GLU 42 CO 0.15 1.38 0.00 0.41 -1.16 0.00 0.00 179.01 179.79 1wgs n GLY 43 N 1.40 0.57 3.50 -3.84 0.00 -0.86 -5.08 105.19 100.88 1wgs n GLY 43 Ca -0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.40 1.52 0.26 1.61 1.70 -1.13 -4.98 118.95 114.53 1wgs s ARG 44 Ca 0.00 -1.38 -0.02 0.00 -0.47 0.00 0.00 55.73 53.85 1wgs s ARG 44 Cb 0.00 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1wgs s ARG 44 CO 0.00 -0.61 0.48 -1.21 -1.08 0.00 0.00 175.30 172.88 1wgs s GLU 45 N -3.93 3.56 -0.03 3.89 2.02 -1.26 -1.00 118.70 121.95 1wgs s GLU 45 Ca 0.27 -0.20 -0.16 0.00 0.02 0.00 0.00 54.97 54.90 1wgs s GLU 45 Cb 0.01 -2.74 0.03 0.00 0.10 0.00 0.00 34.13 31.53 1wgs s GLU 45 CO 0.11 0.29 0.35 -1.21 0.02 0.00 0.00 175.26 174.81 1wgs s GLU 46 N -3.56 0.68 -0.04 1.61 2.02 -0.41 -4.56 118.70 114.44 1wgs s GLU 46 Ca 0.41 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.31 1wgs s GLU 46 Cb -0.11 0.30 0.03 0.00 0.10 0.00 0.00 34.13 34.46 1wgs s GLU 46 CO 0.30 -0.18 0.02 -0.06 0.02 0.00 0.00 175.26 175.36 1wgs s PHE 47 N -1.16 0.35 -0.78 1.61 0.40 -0.16 -0.85 117.98 117.38 1wgs s PHE 47 Ca -0.12 0.02 -0.25 0.00 -0.60 0.00 0.00 56.93 55.98 1wgs s PHE 47 Cb -0.05 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 1wgs s PHE 47 CO 0.04 -0.21 1.78 -0.47 0.70 0.00 0.00 175.22 177.07 1wgs s TYR 48 N 1.62 1.88 -0.08 0.36 5.04 -0.80 -0.69 117.35 124.69 1wgs s TYR 48 Ca -0.01 0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 54.95 1wgs s TYR 48 Cb -0.13 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 37.93 1wgs s TYR 48 CO -0.03 -2.03 0.29 0.14 -1.34 0.00 0.00 175.55 172.59 1wgs s VAL 49 N 8.64 5.25 -0.21 3.14 -7.23 -0.72 0.95 120.40 130.23 1wgs s VAL 49 Ca 0.62 0.56 -0.05 0.00 -1.81 0.00 0.00 61.98 61.31 1wgs s VAL 49 Cb -0.08 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 1wgs s VAL 49 CO 0.08 0.54 0.00 -2.28 -0.31 0.00 0.00 175.10 173.14 1wgs s HIS 50 N -0.67 3.03 -1.07 2.82 2.46 0.51 -3.01 115.29 119.36 1wgs s HIS 50 Ca 0.19 -0.53 -0.21 0.00 0.47 0.00 0.00 55.06 54.98 1wgs s HIS 50 Cb -0.14 -2.10 0.07 0.00 -0.13 0.00 0.00 32.58 30.27 1wgs s HIS 50 CO 0.08 -0.30 1.47 0.71 -2.47 0.00 0.00 174.74 174.23 1wgs s TYR 51 N 1.14 2.67 -0.16 3.88 2.02 -1.26 0.68 117.35 126.32 1wgs s TYR 51 Ca 0.03 -1.08 -0.35 0.00 -0.37 0.00 0.00 57.07 55.30 1wgs s TYR 51 Cb -0.14 -4.65 -0.12 0.00 -0.40 0.00 0.00 41.96 36.64 1wgs s TYR 51 CO 0.01 -1.85 1.93 1.33 -1.57 0.00 0.00 175.55 175.40 1wgs n VAL 52 N 6.59 0.48 0.00 0.71 0.24 -1.25 -1.58 118.33 123.52 1wgs n VAL 52 Ca 0.35 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.50 1wgs n VAL 52 Cb 0.50 -1.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.06 1wgs n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgs n GLY 53 N 4.78 3.00 0.00 7.63 0.00 -1.26 -4.96 105.19 114.38 1wgs n GLY 53 Ca 0.26 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.55 -1.25 1.61 3.72 -0.62 -4.98 117.46 114.39 1wgs n PHE 54 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 1wgs n PHE 54 Cb 0.00 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 1wgs n PHE 54 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wgs s ASN 55 N -1.93 2.01 0.00 4.37 3.84 -1.26 -4.96 114.94 117.02 1wgs s ASN 55 Ca 0.00 0.81 0.24 0.00 0.21 0.00 0.00 52.86 54.13 1wgs s ASN 55 Cb 0.00 -1.22 0.32 0.00 -0.55 0.00 0.00 41.25 39.80 1wgs s ASN 55 CO 0.00 -3.47 1.29 0.54 -2.79 0.00 0.00 177.10 172.67 1wgs n ARG 56 N -4.35 0.38 0.10 0.43 5.12 -1.26 -3.85 116.66 113.23 1wgs n ARG 56 Ca 0.10 -0.26 0.04 0.00 -1.93 0.00 0.00 57.85 55.79 1wgs n ARG 56 Cb 0.59 -1.49 -0.00 0.00 -1.16 0.00 0.00 32.46 30.39 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1wgs h ARG 57 N 0.64 0.00 -0.61 5.56 0.11 -2.00 -3.30 114.38 114.78 1wgs h ARG 57 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1wgs h ARG 57 Cb 0.54 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.59 1wgs h ARG 57 CO 0.00 0.29 0.23 -0.07 0.10 0.00 0.00 179.97 180.53 1wgs h LEU 58 N 0.00 0.86 -8.03 0.08 4.07 -1.96 -3.41 115.31 106.91 1wgs h LEU 58 Ca -0.06 -0.18 -0.53 0.00 0.08 0.00 0.00 57.88 57.19 1wgs h LEU 58 Cb 1.36 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 42.79 1wgs h LEU 58 CO 0.04 0.81 1.70 0.47 -1.08 0.00 0.00 178.44 180.38 1wgs n ASP 59 N -4.43 0.44 -3.66 -0.43 8.00 -1.25 -4.82 116.55 110.41 1wgs n ASP 59 Ca 0.04 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.59 1wgs n ASP 59 Cb 0.18 -0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 40.25 1wgs n ASP 59 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wgs s GLU 60 N 8.62 1.60 -0.01 -1.24 -1.05 -1.16 -4.98 118.70 120.47 1wgs s GLU 60 Ca 1.32 -1.76 -0.25 0.00 -0.15 0.00 0.00 54.97 54.14 1wgs s GLU 60 Cb -1.24 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 32.76 1wgs s GLU 60 CO 0.50 -0.60 0.78 -1.58 0.95 0.00 0.00 175.26 175.30 1wgs s TRP 61 N -3.63 3.65 0.48 4.83 0.52 -1.26 -1.76 118.94 121.77 1wgs s TRP 61 Ca 0.36 1.42 0.05 0.00 0.02 0.00 0.00 56.10 57.94 1wgs s TRP 61 Cb 0.03 -2.87 -0.02 0.00 -1.15 0.00 0.00 33.47 29.46 1wgs s TRP 61 CO 0.19 0.14 0.16 0.14 0.02 0.00 0.00 176.95 177.59 1wgs s VAL 62 N 0.53 1.69 0.35 4.03 -7.23 0.14 -4.81 120.40 115.10 1wgs s VAL 62 Ca 0.41 -1.78 0.07 0.00 -1.81 0.00 0.00 61.98 58.86 1wgs s VAL 62 Cb -0.19 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1wgs s VAL 62 CO 0.22 0.00 0.42 -1.81 -0.31 0.00 0.00 175.10 173.62 1wgs s ASP 63 N -3.97 5.62 0.25 4.85 1.11 -1.26 -0.99 116.67 122.28 1wgs s ASP 63 Ca 0.26 -0.37 -0.04 0.00 0.18 0.00 0.00 52.55 52.58 1wgs s ASP 63 Cb 0.02 -1.01 0.29 0.00 1.07 0.00 0.00 42.92 43.29 1wgs s ASP 63 CO 0.15 -0.47 1.77 0.11 1.18 0.00 0.00 175.17 177.90 1wgs h LYS 64 N 0.98 0.91 -0.30 8.23 1.57 -1.93 -1.74 116.57 124.30 1wgs h LYS 64 Ca -0.44 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.06 1wgs h LYS 64 Cb 1.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1wgs h LYS 64 CO 0.54 0.84 -0.05 -0.97 -0.57 0.00 0.00 179.45 179.24 1wgs h ASN 65 N 0.86 0.56 0.02 0.86 -1.24 -1.97 -2.34 115.58 112.34 1wgs h ASN 65 Ca 0.18 -0.35 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 1wgs h ASN 65 Cb 0.38 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 1wgs h ASN 65 CO 0.01 0.78 -0.00 0.03 -1.29 0.00 0.00 177.43 176.96 1wgs h ARG 66 N 0.33 0.00 -7.08 6.67 3.08 -1.87 -3.42 114.38 112.09 1wgs h ARG 66 Ca 0.08 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.67 1wgs h ARG 66 Cb 0.53 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.65 1wgs h ARG 66 CO 0.03 0.00 0.09 -0.51 -1.07 0.00 0.00 179.97 178.51 1wgs s LEU 67 N -7.13 3.03 -0.41 3.04 1.43 -0.69 -1.23 118.68 116.73 1wgs s LEU 67 Ca -0.05 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1wgs s LEU 67 Cb 0.14 -2.36 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1wgs s LEU 67 CO 0.50 -1.66 0.26 0.00 0.23 0.00 0.00 176.35 175.68 1wgs s ALA 68 N -3.07 3.30 -0.45 4.21 0.00 -0.84 -4.94 121.76 119.98 1wgs s ALA 68 Ca 0.63 -2.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.50 1wgs s ALA 68 Cb -0.07 -2.67 0.12 0.00 0.00 0.00 0.00 23.12 20.50 1wgs s ALA 68 CO 0.43 -1.61 0.25 -0.51 0.00 0.00 0.00 175.76 174.32 1wgs s LEU 69 N 1.46 5.25 0.11 0.00 1.43 -1.26 -4.72 118.68 120.95 1wgs s LEU 69 Ca 0.03 -2.18 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 1wgs s LEU 69 Cb -0.22 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1wgs s LEU 69 CO 0.03 -0.51 0.00 0.41 0.23 0.00 0.00 176.35 176.51 1wgs n THR 70 N 4.40 -0.05 -1.80 5.49 -1.04 -1.26 -4.41 114.28 115.60 1wgs n THR 70 Ca -0.01 0.13 -0.40 0.00 -2.04 0.00 0.00 64.05 61.73 1wgs n THR 70 Cb 0.41 -0.23 -0.03 0.00 -1.82 0.00 0.00 70.33 68.66 1wgs n THR 70 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wgs n LYS 71 N -2.78 2.33 0.01 -2.82 4.01 -1.26 -4.04 118.16 113.61 1wgs n LYS 71 Ca -0.01 -2.51 0.00 0.00 -0.51 0.00 0.00 58.31 55.28 1wgs n LYS 71 Cb 0.14 -3.30 0.00 0.00 -0.51 0.00 0.00 35.03 31.36 1wgs n LYS 71 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1wgs n THR 72 N 6.09 0.07 -4.47 -0.18 5.66 -1.26 -5.02 114.28 115.16 1wgs n THR 72 Ca 0.50 0.02 -0.26 0.00 -3.05 0.00 0.00 64.05 61.26 1wgs n THR 72 Cb 0.42 -1.08 -0.10 0.00 -1.55 0.00 0.00 70.33 68.03 1wgs n THR 72 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1wgs s VAL 73 N -2.00 2.37 0.00 1.08 -7.23 -1.26 -4.96 120.40 108.40 1wgs s VAL 73 Ca 0.00 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1wgs s VAL 73 Cb 0.00 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1wgs s VAL 73 CO 0.00 -0.20 0.00 0.29 -0.31 0.00 0.00 175.10 174.88 1wgs n LYS 74 N -0.85 0.00 0.01 4.82 5.02 -1.26 -4.85 118.16 121.05 1wgs n LYS 74 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1wgs n LYS 74 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.64 1wgs n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wgs n ASP 75 N 0.00 -0.18 0.00 4.39 -0.08 -1.26 -4.66 116.55 114.76 1wgs n ASP 75 Ca 0.00 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1wgs n ASP 75 Cb 0.00 0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgs n ALA 76 N -2.50 -1.35 0.00 -1.67 0.00 -1.26 -4.74 120.51 108.99 1wgs n ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgs n ALA 76 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1wgs n ALA 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wgs n VAL 77 N -0.78 0.00 -2.53 0.00 0.31 -1.26 -4.86 118.33 109.20 1wgs n VAL 77 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1wgs n VAL 77 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1wgs n VAL 77 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wgs s GLN 78 N 0.00 4.53 -0.20 5.55 1.11 -1.26 -4.27 119.66 125.11 1wgs s GLN 78 Ca 0.00 1.66 -0.04 0.00 0.01 0.00 0.00 55.36 56.98 1wgs s GLN 78 Cb 0.00 -3.35 0.01 0.00 -1.01 0.00 0.00 33.01 28.66 1wgs s GLN 78 CO 0.00 -0.07 0.10 1.17 0.01 0.00 0.00 175.29 176.50 1wgs n LYS 79 N 3.32 -1.99 -1.54 2.91 4.81 -1.26 -4.79 118.16 119.63 1wgs n LYS 79 Ca 0.06 1.82 -0.43 0.00 -0.87 0.00 0.00 58.31 58.89 1wgs n LYS 79 Cb 0.47 -3.37 -0.00 0.00 0.02 0.00 0.00 35.03 32.15 1wgs n LYS 79 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wgs n ASN 80 N 0.80 0.39 -3.15 3.14 5.15 -1.26 -4.87 115.26 115.46 1wgs n ASN 80 Ca 0.00 1.06 0.05 0.00 -0.60 0.00 0.00 54.58 55.09 1wgs n ASN 80 Cb 0.29 -1.22 -0.03 0.00 -0.53 0.00 0.00 39.78 38.29 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wgs s SER 81 N -0.76 -0.01 -0.06 1.20 0.15 -1.26 -5.13 113.70 107.83 1wgs s SER 81 Ca 0.62 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.23 1wgs s SER 81 Cb -0.66 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1wgs s SER 81 CO 0.58 -0.00 0.15 -1.83 1.20 0.00 0.00 173.24 173.34 1wgs s GLU 82 N 2.45 0.16 0.00 5.44 4.04 -1.26 -4.92 118.70 124.61 1wgs s GLU 82 Ca -0.05 0.24 0.00 0.00 0.04 0.00 0.00 54.97 55.20 1wgs s GLU 82 Cb -0.04 0.04 0.00 0.00 0.02 0.00 0.00 34.13 34.15 1wgs s GLU 82 CO -0.12 -0.05 0.00 1.17 -1.84 0.00 0.00 175.26 174.43 1wgs n LYS 83 N 3.22 0.00 -1.14 -4.83 4.81 -1.26 -4.97 118.16 113.99 1wgs n LYS 83 Ca -0.15 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.42 1wgs n LYS 83 Cb 0.58 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.58 1wgs n LYS 83 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1wgs n TYR 84 N 0.00 -2.59 0.00 5.64 4.19 -1.26 -4.58 117.16 118.56 1wgs n TYR 84 Ca 0.00 1.35 0.00 0.00 3.31 0.00 0.00 57.90 62.56 1wgs n TYR 84 Cb 0.00 -2.36 0.00 0.00 0.49 0.00 0.00 39.34 37.47 1wgs n TYR 84 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1wgs n LEU 85 N -3.53 0.00 -2.26 2.98 7.94 -1.26 -4.72 117.00 116.15 1wgs n LEU 85 Ca -0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 1wgs n LEU 85 Cb 0.63 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 1wgs n LEU 85 CO 0.02 0.00 -0.48 -1.20 -1.11 0.00 0.00 177.39 174.62 1wgs n SER 86 N 1.72 -0.78 -3.66 1.96 7.64 -1.26 -5.09 113.62 114.15 1wgs n SER 86 Ca 0.00 0.95 0.02 0.00 1.01 0.00 0.00 58.87 60.85 1wgs n SER 86 Cb 0.00 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1wgs n SER 86 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1wgs s GLU 87 N -0.77 0.37 0.28 1.43 -1.05 -1.26 -5.14 118.70 112.55 1wgs s GLU 87 Ca -0.21 -0.21 -0.26 0.00 -0.15 0.00 0.00 54.97 54.14 1wgs s GLU 87 Cb 0.01 0.12 -0.16 0.00 -0.44 0.00 0.00 34.13 33.66 1wgs s GLU 87 CO 0.56 -0.17 0.39 1.28 0.95 0.00 0.00 175.26 178.28 1wgs n LEU 88 N -0.61 -1.65 -3.82 1.83 7.99 -1.26 -4.95 117.00 114.53 1wgs n LEU 88 Ca -0.05 1.02 -0.07 0.00 -0.01 0.00 0.00 56.01 56.89 1wgs n LEU 88 Cb 0.62 -0.94 0.01 0.00 -0.11 0.00 0.00 43.42 43.00 1wgs n LEU 88 CO 0.13 -3.33 0.56 0.00 -1.51 0.00 0.00 177.39 173.23 1wgs s ALA 89 N -1.24 -0.99 -0.59 -1.18 0.00 -1.26 -5.09 121.76 111.41 1wgs s ALA 89 Ca 0.62 -0.56 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 1wgs s ALA 89 Cb -0.82 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1wgs s ALA 89 CO 0.58 -1.01 2.09 -2.00 0.00 0.00 0.00 175.76 175.42 1wgs s GLU 90 N -2.71 2.38 0.83 0.00 2.12 -1.26 -4.94 118.70 115.12 1wgs s GLU 90 Ca 0.15 0.85 -0.12 0.00 0.36 0.00 0.00 54.97 56.21 1wgs s GLU 90 Cb -0.05 -4.51 0.10 0.00 0.26 0.00 0.00 34.13 29.93 1wgs s GLU 90 CO 0.09 -3.04 1.16 -0.65 -0.54 0.00 0.00 175.26 172.28 1wgs s GLN 91 N 7.57 1.54 0.99 4.30 -0.21 -1.26 -5.01 119.66 127.59 1wgs s GLN 91 Ca 0.79 1.59 -0.15 0.00 0.02 0.00 0.00 55.36 57.62 1wgs s GLN 91 Cb -0.14 -1.78 0.19 0.00 1.00 0.00 0.00 33.01 32.28 1wgs s GLN 91 CO 0.21 -2.25 1.18 -1.25 -2.12 0.00 0.00 175.29 171.06 1wgs s PRO 92 N -4.41 0.44 0.32 2.91 0.04 -1.26 -5.10 135.00 127.95 1wgs s PRO 92 Ca 0.69 0.03 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 1wgs s PRO 92 Cb -0.25 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1wgs s PRO 92 CO 0.53 -2.62 0.44 -1.21 0.04 0.00 0.00 177.00 174.18 1wgs s GLU 93 N -5.47 1.82 0.49 4.56 2.02 -1.26 -5.12 118.70 115.74 1wgs s GLU 93 Ca 0.68 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1wgs s GLU 93 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.55 1wgs s GLU 93 CO 0.54 -0.74 0.00 -2.13 0.02 0.00 0.00 175.26 172.95 1wgs n ARG 94 N -0.53 -3.96 -4.12 1.61 0.63 -1.26 -4.94 116.66 104.08 1wgs n ARG 94 Ca 0.01 2.99 -0.15 0.00 -0.92 0.00 0.00 57.85 59.78 1wgs n ARG 94 Cb 0.62 -3.47 -0.13 0.00 0.45 0.00 0.00 32.46 29.93 1wgs n ARG 94 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1wgs s LYS 95 N -4.38 0.51 1.17 -0.14 2.20 -1.26 -4.99 119.74 112.85 1wgs s LYS 95 Ca 0.00 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.95 1wgs s LYS 95 Cb 0.00 -0.38 0.24 0.00 -1.51 0.00 0.00 37.83 36.19 1wgs s LYS 95 CO 0.00 0.09 0.72 1.51 -0.36 0.00 0.00 175.35 177.31 1wgs n ILE 96 N 2.12 0.00 -4.15 5.43 3.06 -1.26 -5.05 119.36 119.52 1wgs n ILE 96 Ca -0.18 -0.42 -0.10 0.00 -2.50 0.00 0.00 62.75 59.54 1wgs n ILE 96 Cb 0.56 -0.88 -0.10 0.00 0.54 0.00 0.00 39.64 39.76 1wgs n ILE 96 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1wgs s THR 97 N -2.35 0.08 -0.26 9.51 -1.32 -1.26 -5.17 115.64 114.88 1wgs s THR 97 Ca 0.65 -1.89 -0.19 0.00 -1.21 0.00 0.00 61.69 59.05 1wgs s THR 97 Cb -0.22 -2.11 0.07 0.00 -1.51 0.00 0.00 72.50 68.74 1wgs s THR 97 CO 0.66 -0.38 0.66 -0.60 -2.21 0.00 0.00 174.62 172.75 1wgs s ARG 98 N -4.06 0.72 0.34 7.08 3.52 -1.26 -5.17 118.95 120.12 1wgs s ARG 98 Ca 0.26 1.06 0.05 0.00 -0.13 0.00 0.00 55.73 56.97 1wgs s ARG 98 Cb 0.07 0.24 -0.07 0.00 -1.56 0.00 0.00 34.95 33.63 1wgs s ARG 98 CO 0.03 -0.12 0.02 -0.80 -0.81 0.00 0.00 175.30 173.62 1wgs s ASN 99 N 1.02 2.95 0.32 -2.12 -0.87 -1.26 -5.16 114.94 109.81 1wgs s ASN 99 Ca -0.05 -1.34 -0.06 0.00 -1.57 0.00 0.00 52.86 49.85 1wgs s ASN 99 Cb -0.05 -0.21 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 1wgs s ASN 99 CO -0.10 -0.50 0.48 -1.58 -2.57 0.00 0.00 177.10 172.83 1wgs s GLN 100 N -3.80 1.81 0.33 -0.60 0.74 -1.26 -5.19 119.66 111.70 1wgs s GLN 100 Ca 0.35 -1.62 -0.04 0.00 0.05 0.00 0.00 55.36 54.10 1wgs s GLN 100 Cb 0.08 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.64 1wgs s GLN 100 CO 0.16 -0.75 0.47 -1.59 -0.55 0.00 0.00 175.29 173.02 1wgs s LYS 101 N -3.28 1.86 0.00 1.67 -2.85 -1.26 -5.18 119.74 110.70 1wgs s LYS 101 Ca 0.28 -1.70 0.00 0.00 -1.00 0.00 0.00 55.97 53.55 1wgs s LYS 101 Cb -0.00 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 1wgs s LYS 101 CO 0.17 -0.77 0.00 -2.13 0.10 0.00 0.00 175.35 172.72 1wgs n ARG 102 N -0.54 0.00 -4.06 1.78 0.00 -1.26 -5.19 116.66 107.40 1wgs n ARG 102 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.75 1wgs n ARG 102 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 33.00 1wgs n ARG 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1wgs s LYS 103 N -2.00 1.31 0.02 -0.14 2.20 -1.26 -5.18 119.74 114.70 1wgs s LYS 103 Ca 0.00 -1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 54.10 1wgs s LYS 103 Cb 0.00 0.37 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1wgs s LYS 103 CO 0.00 -0.49 0.69 0.72 -0.36 0.00 0.00 175.35 175.91 1wgs n HIS 104 N -0.29 -0.47 0.00 4.03 8.25 -1.26 -5.19 115.22 120.29 1wgs n HIS 104 Ca -0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 1wgs n HIS 104 Cb 0.64 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.97 1wgs n HIS 104 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wgs n ASP 105 N -0.76 0.00 -3.59 0.41 2.03 -1.26 -5.18 116.55 108.21 1wgs n ASP 105 Ca 0.02 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.19 1wgs n ASP 105 Cb 0.33 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.67 1wgs n ASP 105 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1wgs s GLU 106 N -2.00 0.82 0.79 -0.67 2.12 -1.26 -5.17 118.70 113.33 1wgs s GLU 106 Ca 0.00 0.56 -0.13 0.00 0.36 0.00 0.00 54.97 55.75 1wgs s GLU 106 Cb 0.00 0.39 0.19 0.00 0.26 0.00 0.00 34.13 34.97 1wgs s GLU 106 CO 0.00 -0.18 0.97 0.44 -0.54 0.00 0.00 175.26 175.95 1wgs n ILE 107 N 1.72 0.00 -3.50 -3.70 -6.64 -1.26 -5.10 119.36 100.87 1wgs n ILE 107 Ca -0.15 -0.66 -0.08 0.00 -1.77 0.00 0.00 62.75 60.09 1wgs n ILE 107 Cb 0.56 -1.52 -0.02 0.00 -1.44 0.00 0.00 39.64 37.22 1wgs n ILE 107 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1wgs s ASN 108 N -4.49 -0.37 -0.29 7.28 3.84 -1.26 -5.18 114.94 114.47 1wgs s ASN 108 Ca 0.57 -0.01 -0.23 0.00 0.21 0.00 0.00 52.86 53.40 1wgs s ASN 108 Cb -0.02 0.40 0.14 0.00 -0.55 0.00 0.00 41.25 41.22 1wgs s ASN 108 CO 0.41 -0.65 1.10 -2.28 -2.79 0.00 0.00 177.10 172.89 1wgs s HIS 109 N -3.16 -0.41 0.08 0.43 2.46 -1.26 -5.17 115.29 108.26 1wgs s HIS 109 Ca 0.05 0.95 0.05 0.00 0.47 0.00 0.00 55.06 56.58 1wgs s HIS 109 Cb -0.01 0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.77 1wgs s HIS 109 CO -0.09 -0.20 -0.03 0.08 -2.47 0.00 0.00 174.74 172.03 1wgs s VAL 110 N 0.48 3.80 1.03 0.89 1.01 -1.26 -5.11 120.40 121.24 1wgs s VAL 110 Ca 0.01 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.83 1wgs s VAL 110 Cb -0.05 -2.79 0.21 0.00 0.00 0.00 0.00 36.38 33.76 1wgs s VAL 110 CO -0.10 0.15 1.08 0.00 0.00 0.00 0.00 175.10 176.22 1wgs s GLN 111 N -2.18 0.11 -0.32 2.72 1.03 -1.26 -5.04 119.66 114.72 1wgs s GLN 111 Ca 0.24 1.02 0.05 0.00 0.04 0.00 0.00 55.36 56.71 1wgs s GLN 111 Cb -0.11 -1.66 0.18 0.00 0.03 0.00 0.00 33.01 31.45 1wgs s GLN 111 CO 0.16 -3.08 0.53 -1.59 -2.54 0.00 0.00 175.29 168.77 1wgs s LYS 112 N -4.63 0.58 0.00 9.60 -2.85 -1.26 -5.16 119.74 116.02 1wgs s LYS 112 Ca 0.67 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.80 1wgs s LYS 112 Cb -0.23 -0.00 0.00 0.00 -2.06 0.00 0.00 37.83 35.54 1wgs s LYS 112 CO 0.61 -1.09 0.00 0.25 0.10 0.00 0.00 175.35 175.22 1wgs n THR 113 N 5.11 0.00 -3.96 3.79 -2.24 -1.26 -5.17 114.28 110.56 1wgs n THR 113 Ca 0.06 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1wgs n THR 113 Cb 0.53 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1wgs s TYR 114 N 0.15 0.43 -0.04 4.78 -0.85 -1.26 -5.17 117.35 115.40 1wgs s TYR 114 Ca 0.00 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1wgs s TYR 114 Cb 0.00 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.69 1wgs s TYR 114 CO 0.00 -1.21 -0.07 0.00 -1.52 0.00 0.00 175.55 172.75 1wgs s ALA 115 N -3.31 0.82 -0.16 9.51 0.00 -1.26 -5.12 121.76 122.23 1wgs s ALA 115 Ca 0.21 -0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 1wgs s ALA 115 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1wgs s ALA 115 CO 0.13 0.08 0.57 -1.83 0.00 0.00 0.00 175.76 174.70 1wgs s GLU 116 N 0.54 4.26 0.46 0.00 -1.05 -1.26 -5.07 118.70 116.58 1wgs s GLU 116 Ca -0.08 0.54 0.03 0.00 -0.15 0.00 0.00 54.97 55.31 1wgs s GLU 116 Cb -0.12 -3.52 0.01 0.00 -0.44 0.00 0.00 34.13 30.06 1wgs s GLU 116 CO 0.01 -0.08 0.65 0.00 0.95 0.00 0.00 175.26 176.79 1wgs s MET 117 N 1.40 2.88 0.33 -4.83 0.23 -1.26 -5.08 119.30 112.96 1wgs s MET 117 Ca 0.28 -0.78 -0.26 0.00 -1.03 0.00 0.00 55.69 53.89 1wgs s MET 117 Cb -0.16 -2.61 -0.10 0.00 -1.53 0.00 0.00 34.83 30.43 1wgs s MET 117 CO 0.11 -0.35 0.94 0.16 -2.03 0.00 0.00 175.02 173.86 1wgs s ASP 118 N -4.29 7.31 -0.00 -1.18 -4.77 -1.26 -5.02 116.67 107.46 1wgs s ASP 118 Ca 0.51 1.83 -0.01 0.00 -3.30 0.00 0.00 52.55 51.58 1wgs s ASP 118 Cb -0.10 -2.58 -0.00 0.00 -1.09 0.00 0.00 42.92 39.15 1wgs s ASP 118 CO 0.36 -0.09 0.26 1.55 0.70 0.00 0.00 175.17 177.95 1wgs h PRO 119 N 3.09 -0.02 -1.50 2.11 0.13 -2.07 -3.49 132.00 130.25 1wgs h PRO 119 Ca -0.47 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1wgs h PRO 119 Cb 1.19 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 1wgs h PRO 119 CO 0.65 -0.01 0.58 -0.08 -0.23 0.00 0.00 178.00 178.90 1wgs s THR 120 N -1.57 0.00 0.17 1.56 -1.32 -1.26 -5.18 115.64 108.04 1wgs s THR 120 Ca -0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 1wgs s THR 120 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1wgs s THR 120 CO 0.01 0.00 0.00 0.28 -2.21 0.00 0.00 174.62 172.70 1wgs s THR 121 N -0.77 0.66 0.00 5.08 -1.32 -1.26 -5.16 115.64 112.87 1wgs s THR 121 Ca 0.01 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 1wgs s THR 121 Cb -0.02 -2.10 0.00 0.00 -1.51 0.00 0.00 72.50 68.87 1wgs s THR 121 CO -0.02 -0.49 0.00 0.00 -2.21 0.00 0.00 174.62 171.90 1wgs n ALA 122 N -0.23 0.00 -3.00 11.08 0.00 -1.26 -5.19 120.51 121.91 1wgs n ALA 122 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wgs n ALA 122 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.45 0.00 -3.64 0.00 0.00 -1.26 -5.18 120.51 109.98 1wgs n ALA 123 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1wgs n ALA 123 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1wgs n ALA 123 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wgs s LEU 124 N 0.00 -0.42 -0.08 0.00 2.34 -1.26 -5.16 118.68 114.10 1wgs s LEU 124 Ca 0.00 0.70 0.03 0.00 0.06 0.00 0.00 54.13 54.92 1wgs s LEU 124 Cb 0.00 1.66 0.01 0.00 -0.56 0.00 0.00 46.19 47.30 1wgs s LEU 124 CO 0.00 -0.11 -0.17 -0.70 -1.06 0.00 0.00 176.35 174.31 1wgs s GLU 125 N 1.03 2.27 -0.02 1.48 2.12 -1.26 -5.13 118.70 119.19 1wgs s GLU 125 Ca -0.06 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.68 1wgs s GLU 125 Cb -0.04 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 1wgs s GLU 125 CO -0.13 0.07 -0.01 0.21 -0.54 0.00 0.00 175.26 174.86 1wgs s LYS 126 N 0.59 2.79 0.26 4.30 2.47 -1.26 -5.12 119.74 123.77 1wgs s LYS 126 Ca -0.15 -0.58 0.05 0.00 -1.56 0.00 0.00 55.97 53.73 1wgs s LYS 126 Cb -0.16 -2.66 -0.06 0.00 -1.46 0.00 0.00 37.83 33.49 1wgs s LYS 126 CO 0.05 0.64 -0.02 -1.83 0.16 0.00 0.00 175.35 174.35 1wgs s GLU 127 N -1.36 1.46 0.28 4.03 -1.05 -1.26 -5.16 118.70 115.63 1wgs s GLU 127 Ca 0.18 -1.75 -0.16 0.00 -0.15 0.00 0.00 54.97 53.08 1wgs s GLU 127 Cb -0.11 -0.87 0.01 0.00 -0.44 0.00 0.00 34.13 32.72 1wgs s GLU 127 CO 0.08 -0.05 0.61 -1.54 0.95 0.00 0.00 175.26 175.30 1wgs s SER 128 N -3.38 -0.12 -0.26 0.83 1.04 -1.26 -5.18 113.70 105.37 1wgs s SER 128 Ca 0.30 -0.83 -0.20 0.00 0.48 0.00 0.00 55.95 55.70 1wgs s SER 128 Cb 0.05 0.67 0.07 0.00 0.10 0.00 0.00 66.02 66.91 1wgs s SER 128 CO 0.11 -1.28 0.67 -0.83 0.98 0.00 0.00 173.24 172.89 1wgs s GLY 129 N -2.99 -0.54 0.91 7.32 0.00 -1.26 -5.17 107.32 105.59 1wgs s GLY 129 Ca 0.17 2.06 -0.15 0.00 0.00 0.00 0.00 44.72 46.79 1wgs s GLY 129 CO 0.09 1.89 1.00 -1.55 0.00 0.00 0.00 173.10 174.53 1wgs n PRO 130 N 3.29 -1.92 -3.81 2.90 -0.04 -1.26 -5.11 135.00 129.06 1wgs n PRO 130 Ca -0.16 -1.57 -0.09 0.00 -0.04 0.00 0.00 63.50 61.64 1wgs n PRO 130 Cb 0.56 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgs s SER 131 N -4.48 -0.25 0.27 3.54 1.04 -1.26 -5.19 113.70 107.36 1wgs s SER 131 Ca 0.60 -0.57 -0.16 0.00 0.48 0.00 0.00 55.95 56.31 1wgs s SER 131 Cb -0.04 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1wgs s SER 131 CO 0.44 -1.17 0.58 -0.55 0.98 0.00 0.00 173.24 173.52 1wgs s SER 132 N -2.91 -0.12 0.00 7.02 0.15 -1.26 -5.39 113.70 111.20 1wgs s SER 132 Ca 0.12 -0.84 0.08 0.00 0.70 0.00 0.00 55.95 56.00 1wgs s SER 132 Cb -0.03 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 64.99 1wgs s SER 132 CO 0.02 -1.25 0.74 0.61 1.20 0.00 0.00 173.24 174.57