#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 4.94 -0.19 1.61 0.01 -1.26 -5.06 113.70 113.76 1wgs s SER 2 Ca 0.00 -2.08 -0.13 0.00 1.31 0.00 0.00 55.95 55.05 1wgs s SER 2 Cb 0.00 -1.70 0.06 0.00 0.21 0.00 0.00 66.02 64.58 1wgs s SER 2 CO 0.00 -0.43 0.46 -0.55 0.41 0.00 0.00 173.24 173.13 1wgs s SER 3 N 1.24 -0.56 0.00 2.44 0.15 -1.26 -5.08 113.70 110.64 1wgs s SER 3 Ca 0.09 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1wgs s SER 3 Cb -0.20 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1wgs s SER 3 CO -0.06 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1wgs n GLY 4 N 3.77 0.73 2.95 9.45 0.00 -1.26 -4.93 105.19 115.90 1wgs n GLY 4 Ca -0.19 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.84 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgs s SER 5 N -4.00 -0.64 0.15 1.61 0.15 -1.26 -5.17 113.70 104.54 1wgs s SER 5 Ca 0.00 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.49 1wgs s SER 5 Cb 0.00 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.23 1wgs s SER 5 CO 0.00 -0.08 -0.14 -0.55 1.20 0.00 0.00 173.24 173.66 1wgs s SER 6 N 2.18 2.23 0.00 5.45 0.15 -1.26 -5.11 113.70 117.34 1wgs s SER 6 Ca 0.17 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1wgs s SER 6 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 1wgs s SER 6 CO -0.16 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wgs n GLY 7 N 0.19 -0.91 3.41 9.45 0.00 -1.26 -5.15 105.19 110.92 1wgs n GLY 7 Ca -0.13 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgs n GLU 8 N 0.00 0.35 -2.39 1.61 0.28 -1.26 -4.84 120.64 114.40 1wgs n GLU 8 Ca 0.00 0.14 -0.43 0.00 -0.16 0.00 0.00 57.16 56.71 1wgs n GLU 8 Cb 0.00 -1.58 -0.02 0.00 1.43 0.00 0.00 31.44 31.27 1wgs n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1wgs s PRO 9 N -2.05 3.98 -0.58 3.44 0.04 -1.26 -4.95 135.00 133.63 1wgs s PRO 9 Ca 0.65 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1wgs s PRO 9 Cb -0.42 -3.87 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 1wgs s PRO 9 CO 0.58 -1.03 1.76 -1.21 0.04 0.00 0.00 177.00 177.14 1wgs s GLU 10 N 4.06 2.84 0.70 4.56 0.41 -1.26 -4.97 118.70 125.04 1wgs s GLU 10 Ca 0.58 0.64 -0.01 0.00 -0.41 0.00 0.00 54.97 55.76 1wgs s GLU 10 Cb -0.19 -4.32 0.11 0.00 -1.78 0.00 0.00 34.13 27.96 1wgs s GLU 10 CO 0.22 -2.48 0.97 0.54 -0.49 0.00 0.00 175.26 174.02 1wgs s VAL 11 N 8.20 2.21 -0.11 2.63 0.11 -1.26 -5.12 120.40 127.06 1wgs s VAL 11 Ca 0.65 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 1wgs s VAL 11 Cb -0.13 -2.63 0.12 0.00 -1.53 0.00 0.00 36.38 32.21 1wgs s VAL 11 CO 0.22 0.00 1.00 -0.89 -3.33 0.00 0.00 175.10 172.10 1wgs s THR 12 N -3.11 0.00 0.07 5.04 2.01 -1.26 -5.17 115.64 113.22 1wgs s THR 12 Ca 0.65 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.73 1wgs s THR 12 Cb -0.06 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1wgs s THR 12 CO 0.44 0.00 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.49 1wgs s VAL 13 N -2.13 2.76 -0.06 3.82 1.01 -1.26 -5.04 120.40 119.51 1wgs s VAL 13 Ca 0.03 -1.32 0.06 0.00 0.00 0.00 0.00 61.98 60.75 1wgs s VAL 13 Cb -0.01 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wgs s VAL 13 CO -0.04 0.25 -0.24 -1.61 0.00 0.00 0.00 175.10 173.46 1wgs s GLU 14 N -1.68 2.46 0.36 2.72 2.02 -1.26 -5.12 118.70 118.20 1wgs s GLU 14 Ca 0.16 -0.86 -0.17 0.00 0.02 0.00 0.00 54.97 54.12 1wgs s GLU 14 Cb -0.10 -2.08 -0.10 0.00 0.10 0.00 0.00 34.13 31.95 1wgs s GLU 14 CO 0.07 0.35 0.81 0.42 0.02 0.00 0.00 175.26 176.93 1wgs s ILE 15 N -0.10 4.59 0.00 -1.63 -1.09 -1.26 -3.71 121.20 118.00 1wgs s ILE 15 Ca -0.05 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1wgs s ILE 15 Cb -0.14 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1wgs s ILE 15 CO 0.04 -0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.11 1wgs n GLY 16 N -0.52 3.30 3.97 6.18 0.00 -0.88 -5.02 105.19 112.22 1wgs n GLY 16 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.62 3.16 -0.06 1.61 8.01 -1.24 -4.84 118.70 124.72 1wgs s GLU 17 Ca 0.00 -0.69 -0.01 0.00 0.01 0.00 0.00 54.97 54.27 1wgs s GLU 17 Cb 0.00 -2.70 -0.04 0.00 -4.31 0.00 0.00 34.13 27.09 1wgs s GLU 17 CO 0.00 -0.04 0.03 0.99 0.01 0.00 0.00 175.26 176.25 1wgs s THR 18 N -2.33 4.48 0.13 3.63 2.01 -1.26 -1.35 115.64 120.94 1wgs s THR 18 Ca 0.45 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.18 1wgs s THR 18 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1wgs s THR 18 CO 0.34 0.52 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.43 1wgs s TYR 19 N -0.99 1.06 -0.33 4.92 1.51 -0.59 -4.93 117.35 118.00 1wgs s TYR 19 Ca 0.16 -0.91 -0.27 0.00 -1.01 0.00 0.00 57.07 55.05 1wgs s TYR 19 Cb -0.12 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1wgs s TYR 19 CO 0.06 -0.12 0.95 -0.51 -1.11 0.00 0.00 175.55 174.82 1wgs s LEU 20 N -3.11 3.99 -0.22 -1.29 2.01 -1.26 -1.08 118.68 117.72 1wgs s LEU 20 Ca 0.16 0.80 -0.09 0.00 0.01 0.00 0.00 54.13 55.01 1wgs s LEU 20 Cb 0.05 -3.33 -0.04 0.00 0.01 0.00 0.00 46.19 42.88 1wgs s LEU 20 CO -0.01 -0.80 0.12 0.00 1.01 0.00 0.00 176.35 176.66 1wgs s ARG 22 N 0.95 4.19 -0.07 0.00 3.52 0.47 -1.38 118.95 126.63 1wgs s ARG 22 Ca 0.06 2.43 -0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1wgs s ARG 22 Cb -0.13 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1wgs s ARG 22 CO 0.03 -0.63 -0.03 1.03 -0.81 0.00 0.00 175.30 174.89 1wgs s ARG 23 N 0.96 0.89 -1.15 5.12 0.52 -1.14 -4.92 118.95 119.23 1wgs s ARG 23 Ca 0.70 -0.05 -0.19 0.00 -0.52 0.00 0.00 55.73 55.67 1wgs s ARG 23 Cb -0.45 -1.05 -0.05 0.00 0.52 0.00 0.00 34.95 33.92 1wgs s ARG 23 CO 0.33 -0.21 1.99 -0.35 0.02 0.00 0.00 175.30 177.09 1wgs n PRO 24 N 4.67 2.24 0.00 3.54 -0.04 -1.26 -3.67 135.00 140.48 1wgs n PRO 24 Ca -0.15 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1wgs n PRO 24 Cb 0.50 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 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 8.35 0.00 0.14 3.54 2.03 -1.26 -5.06 116.55 124.30 1wgs n ASP 25 Ca 0.49 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1wgs n ASP 25 Cb 0.42 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1wgs n ASP 25 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wgs n SER 26 N -2.42 -1.88 0.00 1.67 2.88 -1.24 -5.17 113.62 107.46 1wgs n SER 26 Ca 0.00 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1wgs n SER 26 Cb 0.00 1.90 0.00 0.00 -0.75 0.00 0.00 64.21 65.36 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 -3.19 0.00 -3.10 2.46 5.66 -1.26 -5.08 114.28 109.78 1wgs n THR 27 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1wgs n THR 27 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 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 0.13 3.47 -0.03 1.09 0.52 -1.26 -2.88 118.94 119.98 1wgs s TRP 28 Ca 0.00 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.00 1wgs s TRP 28 Cb 0.00 -2.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.04 1wgs s TRP 28 CO 0.00 0.04 -0.03 -1.01 0.02 0.00 0.00 176.95 175.97 1wgs s HIS 29 N -2.21 0.50 0.58 -1.98 3.76 -0.48 -4.92 115.29 110.54 1wgs s HIS 29 Ca 0.48 -0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 55.09 1wgs s HIS 29 Cb -0.10 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 1wgs s HIS 29 CO 0.30 -0.12 1.32 -1.13 -0.85 0.00 0.00 174.74 174.26 1wgs n SER 30 N 3.79 2.43 -3.63 1.40 3.41 -1.26 -0.66 113.62 119.09 1wgs n SER 30 Ca -0.23 0.93 -0.03 0.00 -0.26 0.00 0.00 58.87 59.28 1wgs n SER 30 Cb 0.52 -1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 62.86 1wgs n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgs s ALA 31 N -1.32 -2.06 0.18 7.33 0.00 -0.24 -4.10 121.76 121.55 1wgs s ALA 31 Ca 0.75 2.34 -0.30 0.00 0.00 0.00 0.00 51.96 54.75 1wgs s ALA 31 Cb -0.41 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.93 1wgs s ALA 31 CO 0.47 -0.76 1.11 -1.83 0.00 0.00 0.00 175.76 174.75 1wgs s GLU 32 N 2.46 4.59 -0.56 0.00 -1.05 0.41 -1.54 118.70 123.01 1wgs s GLU 32 Ca -0.07 1.74 -0.26 0.00 -0.15 0.00 0.00 54.97 56.23 1wgs s GLU 32 Cb -0.09 -3.27 0.04 0.00 -0.44 0.00 0.00 34.13 30.36 1wgs s GLU 32 CO -0.19 0.07 1.06 0.08 0.95 0.00 0.00 175.26 177.23 1wgs s VAL 33 N -0.27 4.21 0.01 1.83 1.01 -0.45 0.15 120.40 126.89 1wgs s VAL 33 Ca 0.49 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.82 1wgs s VAL 33 Cb -0.30 -4.63 -0.15 0.00 0.00 0.00 0.00 36.38 31.31 1wgs s VAL 33 CO 0.35 -1.21 1.11 0.40 0.00 0.00 0.00 175.10 175.76 1wgs h ILE 34 N 6.09 0.04 -2.32 2.22 1.08 0.89 -2.34 117.51 123.17 1wgs h ILE 34 Ca -0.25 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 1wgs h ILE 34 Cb 1.07 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1wgs h ILE 34 CO 1.13 0.01 -0.00 0.00 -0.69 0.00 0.00 178.15 178.60 1wgs n GLN 35 N -5.40 0.16 -4.13 2.37 1.13 -1.21 -4.58 117.38 105.73 1wgs n GLN 35 Ca -0.12 -0.50 -0.10 0.00 -1.94 0.00 0.00 57.00 54.34 1wgs n GLN 35 Cb 0.37 0.52 -0.10 0.00 0.11 0.00 0.00 30.24 31.14 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 -1.41 0.89 0.18 1.08 1.04 -1.26 -2.03 113.70 112.18 1wgs s SER 36 Ca 0.05 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.32 1wgs s SER 36 Cb -0.00 0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.29 1wgs s SER 36 CO 0.03 -0.46 0.86 0.00 0.98 0.00 0.00 173.24 174.65 1wgs s ARG 37 N -3.45 1.35 0.01 4.02 1.70 -0.73 -4.98 118.95 116.87 1wgs s ARG 37 Ca 0.06 -0.72 0.04 0.00 -0.47 0.00 0.00 55.73 54.65 1wgs s ARG 37 Cb 0.03 0.48 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1wgs s ARG 37 CO -0.05 -0.61 -0.13 0.08 -1.08 0.00 0.00 175.30 173.50 1wgs s VAL 38 N -3.49 1.00 -0.18 4.99 1.01 -1.26 -2.08 120.40 120.38 1wgs s VAL 38 Ca 0.11 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1wgs s VAL 38 Cb -0.03 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1wgs s VAL 38 CO 0.02 0.15 0.26 0.20 0.00 0.00 0.00 175.10 175.73 1wgs s ASN 39 N -0.65 6.37 -0.18 3.32 -0.87 0.12 -4.97 114.94 118.08 1wgs s ASN 39 Ca 0.03 0.42 -0.18 0.00 -1.57 0.00 0.00 52.86 51.56 1wgs s ASN 39 Cb -0.06 -2.16 -0.21 0.00 -0.02 0.00 0.00 41.25 38.79 1wgs s ASN 39 CO 0.00 0.09 0.27 -0.78 -2.57 0.00 0.00 177.10 174.11 1wgs h ASP 40 N 6.82 0.11 -0.40 -1.22 3.58 -1.95 0.55 116.42 123.91 1wgs h ASP 40 Ca -0.40 -0.63 0.02 0.00 0.42 0.00 0.00 57.03 56.44 1wgs h ASP 40 Cb 1.16 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1wgs h ASP 40 CO 0.75 1.58 0.22 1.56 -2.88 0.00 0.00 179.24 180.46 1wgs h GLN 41 N -0.73 0.43 0.16 0.28 1.08 -1.98 -3.10 115.11 111.25 1wgs h GLN 41 Ca -0.36 -0.03 -0.28 0.00 -1.45 0.00 0.00 58.65 56.53 1wgs h GLN 41 Cb 1.49 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1wgs h GLN 41 CO -0.13 0.29 -1.38 0.93 -0.95 0.00 0.00 178.83 177.59 1wgs h GLU 42 N 0.45 0.33 -1.72 1.46 4.39 -1.99 -3.49 114.58 114.00 1wgs h GLU 42 Ca 0.16 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1wgs h GLU 42 Cb 0.03 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1wgs h GLU 42 CO -0.09 1.27 0.00 0.41 -1.16 0.00 0.00 179.01 179.44 1wgs n GLY 43 N 1.75 0.47 3.42 -3.84 0.00 0.14 -5.06 105.19 102.07 1wgs n GLY 43 Ca -0.22 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 1wgs n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgs s ARG 44 N -3.20 1.68 0.15 1.61 0.52 -0.97 -4.95 118.95 113.79 1wgs s ARG 44 Ca 0.00 -1.68 0.04 0.00 -0.52 0.00 0.00 55.73 53.57 1wgs s ARG 44 Cb 0.00 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 1wgs s ARG 44 CO 0.00 -0.67 0.17 -1.21 0.02 0.00 0.00 175.30 173.62 1wgs s GLU 45 N -3.50 3.06 -0.20 3.54 2.02 -1.26 0.16 118.70 122.51 1wgs s GLU 45 Ca 0.32 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.42 1wgs s GLU 45 Cb 0.01 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1wgs s GLU 45 CO 0.18 0.51 0.51 -1.21 0.02 0.00 0.00 175.26 175.26 1wgs s GLU 46 N -3.04 0.52 -0.15 1.61 2.02 -0.89 -4.56 118.70 114.20 1wgs s GLU 46 Ca 0.32 0.89 0.02 0.00 0.02 0.00 0.00 54.97 56.22 1wgs s GLU 46 Cb -0.11 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1wgs s GLU 46 CO 0.25 -0.14 -0.21 -0.06 0.02 0.00 0.00 175.26 175.12 1wgs s PHE 47 N 1.26 2.71 -0.81 1.61 0.40 0.68 -1.77 117.98 122.06 1wgs s PHE 47 Ca -0.08 -1.43 -0.25 0.00 -0.60 0.00 0.00 56.93 54.56 1wgs s PHE 47 Cb -0.07 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 1wgs s PHE 47 CO -0.12 -0.67 1.72 -0.47 0.70 0.00 0.00 175.22 176.38 1wgs s TYR 48 N 0.96 1.97 0.03 0.36 5.04 -0.86 -0.44 117.35 124.41 1wgs s TYR 48 Ca -0.03 0.30 -0.08 0.00 -2.44 0.00 0.00 57.07 54.82 1wgs s TYR 48 Cb -0.15 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.84 1wgs s TYR 48 CO -0.05 -2.00 0.31 0.14 -1.34 0.00 0.00 175.55 172.60 1wgs s VAL 49 N 8.14 5.24 -0.20 3.14 -7.23 -1.16 0.14 120.40 128.48 1wgs s VAL 49 Ca 0.59 0.25 -0.03 0.00 -1.81 0.00 0.00 61.98 60.99 1wgs s VAL 49 Cb -0.07 -3.59 -0.01 0.00 0.56 0.00 0.00 36.38 33.27 1wgs s VAL 49 CO 0.06 0.35 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.84 1wgs s HIS 50 N -1.32 2.91 -0.79 2.82 2.46 0.40 -3.67 115.29 118.10 1wgs s HIS 50 Ca 0.29 -0.97 -0.25 0.00 0.47 0.00 0.00 55.06 54.60 1wgs s HIS 50 Cb -0.13 -2.03 0.04 0.00 -0.13 0.00 0.00 32.58 30.33 1wgs s HIS 50 CO 0.17 -0.51 1.26 0.71 -2.47 0.00 0.00 174.74 173.89 1wgs s TYR 51 N 1.23 2.42 -0.55 3.88 2.02 -1.26 -0.45 117.35 124.64 1wgs s TYR 51 Ca 0.03 -0.32 -0.28 0.00 -0.37 0.00 0.00 57.07 56.13 1wgs s TYR 51 Cb -0.14 -4.58 0.01 0.00 -0.40 0.00 0.00 41.96 36.84 1wgs s TYR 51 CO -0.03 -1.97 1.50 0.14 -1.57 0.00 0.00 175.55 173.62 1wgs s VAL 52 N 5.24 3.71 0.00 0.71 -7.23 -1.26 -3.41 120.40 118.16 1wgs s VAL 52 Ca 0.35 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 61.12 1wgs s VAL 52 Cb -0.08 -4.32 0.00 0.00 0.56 0.00 0.00 36.38 32.55 1wgs s VAL 52 CO 0.09 -1.08 0.00 0.61 -0.31 0.00 0.00 175.10 174.41 1wgs n GLY 53 N 5.33 3.02 0.00 2.32 0.00 -1.26 -4.96 105.19 109.63 1wgs n GLY 53 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -3.77 1.61 3.01 -1.22 -4.96 117.46 112.13 1wgs n PHE 54 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 1wgs n PHE 54 Cb 0.00 -0.06 -0.01 0.00 -0.01 0.00 0.00 39.48 39.41 1wgs n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1wgs s ASN 55 N -2.56 -0.12 -0.23 4.37 0.01 -1.25 -5.07 114.94 110.09 1wgs s ASN 55 Ca 0.00 -0.43 -0.17 0.00 -0.71 0.00 0.00 52.86 51.55 1wgs s ASN 55 Cb 0.00 0.45 -0.17 0.00 0.41 0.00 0.00 41.25 41.94 1wgs s ASN 55 CO 0.00 -0.84 0.02 -1.14 -1.51 0.00 0.00 177.10 173.62 1wgs n ARG 56 N -0.53 0.59 -0.46 -0.60 0.63 -1.26 -4.16 116.66 110.88 1wgs n ARG 56 Ca -0.06 0.43 0.41 0.00 -0.92 0.00 0.00 57.85 57.72 1wgs n ARG 56 Cb 0.61 -1.65 0.66 0.00 0.45 0.00 0.00 32.46 32.53 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1wgs h ARG 57 N -0.88 0.00 0.00 -0.14 0.11 -1.99 -3.02 114.38 108.45 1wgs h ARG 57 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1wgs h ARG 57 Cb 1.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.56 1wgs h ARG 57 CO -0.26 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.09 1wgs n LEU 58 N -3.67 0.00 -2.79 0.08 4.32 -1.26 -4.94 117.00 108.74 1wgs n LEU 58 Ca 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.29 1wgs n LEU 58 Cb 1.73 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 43.50 1wgs n LEU 58 CO 0.35 0.00 -0.41 0.47 -1.22 0.00 0.00 177.39 176.58 1wgs n ASP 59 N 0.00 -3.23 -3.72 -1.43 8.00 -1.14 -5.04 116.55 109.98 1wgs n ASP 59 Ca 0.00 1.20 -0.14 0.00 0.71 0.00 0.00 54.79 56.56 1wgs n ASP 59 Cb 0.00 -3.79 -0.09 0.00 -0.02 0.00 0.00 41.12 37.23 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 -0.40 0.63 0.61 -1.24 -1.05 -1.24 -5.06 118.70 110.95 1wgs s GLU 60 Ca -0.18 0.18 -0.15 0.00 -0.15 0.00 0.00 54.97 54.68 1wgs s GLU 60 Cb 0.01 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 1wgs s GLU 60 CO 0.48 -0.14 1.05 -1.58 0.95 0.00 0.00 175.26 176.02 1wgs s TRP 61 N -0.65 3.06 0.21 4.83 0.52 -1.26 -2.96 118.94 122.69 1wgs s TRP 61 Ca -0.07 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.54 1wgs s TRP 61 Cb -0.04 -2.96 -0.05 0.00 -1.15 0.00 0.00 33.47 29.28 1wgs s TRP 61 CO 0.03 -1.08 0.08 0.14 0.02 0.00 0.00 176.95 176.15 1wgs s VAL 62 N -2.61 0.38 0.22 4.03 -7.23 0.41 -4.82 120.40 110.78 1wgs s VAL 62 Ca 0.62 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1wgs s VAL 62 Cb -0.15 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1wgs s VAL 62 CO 0.41 -0.14 0.30 -1.81 -0.31 0.00 0.00 175.10 173.54 1wgs s ASP 63 N -3.22 6.10 0.54 4.85 1.11 -1.26 -0.23 116.67 124.57 1wgs s ASP 63 Ca 0.34 0.01 0.23 0.00 0.18 0.00 0.00 52.55 53.31 1wgs s ASP 63 Cb 0.07 -1.75 1.43 0.00 1.07 0.00 0.00 42.92 43.74 1wgs s ASP 63 CO 0.10 -0.03 2.08 0.11 1.18 0.00 0.00 175.17 178.61 1wgs h LYS 64 N 1.52 0.00 -0.11 8.23 1.57 -1.92 -0.08 116.57 125.78 1wgs h LYS 64 Ca -0.50 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1wgs h LYS 64 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1wgs h LYS 64 CO 0.63 0.00 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.33 1wgs h ASN 65 N 0.00 0.41 0.03 0.86 4.21 -1.98 -2.92 115.58 116.19 1wgs h ASN 65 Ca 0.12 -0.58 -0.00 0.00 1.21 0.00 0.00 56.30 57.04 1wgs h ASN 65 Cb 0.50 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1wgs h ASN 65 CO -0.00 0.92 -0.01 0.03 -1.29 0.00 0.00 177.43 177.08 1wgs h ARG 66 N -0.08 0.00 -7.09 0.81 3.08 -1.44 -3.42 114.38 106.24 1wgs h ARG 66 Ca -0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 1wgs h ARG 66 Cb 0.87 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.00 1wgs h ARG 66 CO 0.06 0.01 0.10 -0.51 -1.07 0.00 0.00 179.97 178.55 1wgs s LEU 67 N -7.25 3.02 -0.35 3.04 1.43 -0.58 -0.40 118.68 117.59 1wgs s LEU 67 Ca -0.05 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1wgs s LEU 67 Cb 0.14 -2.33 0.07 0.00 0.03 0.00 0.00 46.19 44.11 1wgs s LEU 67 CO 0.51 -1.69 0.10 0.00 0.23 0.00 0.00 176.35 175.50 1wgs s ALA 68 N -3.09 2.99 -0.43 4.21 0.00 -0.82 -4.90 121.76 119.72 1wgs s ALA 68 Ca 0.64 -2.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1wgs s ALA 68 Cb -0.07 -2.18 0.12 0.00 0.00 0.00 0.00 23.12 20.99 1wgs s ALA 68 CO 0.43 -1.51 0.22 -0.51 0.00 0.00 0.00 175.76 174.39 1wgs s LEU 69 N 1.22 5.20 0.00 0.00 1.43 -1.26 -4.67 118.68 120.59 1wgs s LEU 69 Ca 0.01 -2.15 0.00 0.00 -1.03 0.00 0.00 54.13 50.96 1wgs s LEU 69 Cb -0.21 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wgs s LEU 69 CO -0.02 -0.51 0.00 1.07 0.23 0.00 0.00 176.35 177.12 1wgs n THR 70 N 4.42 0.00 -0.32 5.49 5.66 -1.26 -4.99 114.28 123.27 1wgs n THR 70 Ca -0.00 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.17 1wgs n THR 70 Cb 0.41 0.00 0.42 0.00 -1.55 0.00 0.00 70.33 69.60 1wgs n THR 70 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1wgs h LYS 71 N 0.00 0.56 0.00 1.09 5.09 -1.95 -3.41 116.57 117.95 1wgs h LYS 71 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1wgs h LYS 71 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 32.23 32.20 1wgs h LYS 71 CO 0.00 0.37 0.00 2.41 -2.09 0.00 0.00 179.45 180.14 1wgs n THR 72 N -4.68 0.00 0.16 0.07 -1.04 -1.26 -5.07 114.28 102.45 1wgs n THR 72 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1wgs n THR 72 Cb 0.69 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1wgs n THR 72 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1wgs n VAL 73 N -3.16 0.00 0.00 12.58 3.14 -1.26 -4.80 118.33 124.83 1wgs n VAL 73 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1wgs n VAL 73 Cb 0.00 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 1wgs n VAL 73 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1wgs n LYS 74 N -3.42 0.00 -3.45 1.45 4.76 -1.26 -4.21 118.16 112.03 1wgs n LYS 74 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1wgs n LYS 74 Cb 0.00 -0.04 0.03 0.00 -1.84 0.00 0.00 35.03 33.17 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wgs n ASP 75 N -1.86 -1.99 -4.58 4.39 9.92 -1.26 -4.74 116.55 116.44 1wgs n ASP 75 Ca 0.00 -2.35 -0.39 0.00 -0.53 0.00 0.00 54.79 51.53 1wgs n ASP 75 Cb 0.00 3.30 -0.02 0.00 -0.64 0.00 0.00 41.12 43.76 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgs s ALA 76 N -1.95 2.81 -0.19 2.24 0.00 -1.26 -4.52 121.76 118.90 1wgs s ALA 76 Ca 0.14 -2.58 -0.10 0.00 0.00 0.00 0.00 51.96 49.42 1wgs s ALA 76 Cb -0.04 -4.63 -0.08 0.00 0.00 0.00 0.00 23.12 18.36 1wgs s ALA 76 CO 0.10 -3.86 -0.26 0.28 0.00 0.00 0.00 175.76 172.03 1wgs n VAL 77 N 6.86 1.13 -1.50 0.00 0.31 -1.26 -5.12 118.33 118.75 1wgs n VAL 77 Ca 0.45 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 1wgs n VAL 77 Cb 0.47 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1wgs n VAL 77 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1wgs n GLN 78 N -3.93 -4.27 -1.80 5.55 7.27 -1.26 -4.99 117.38 113.95 1wgs n GLN 78 Ca -0.35 3.15 -0.00 0.00 0.07 0.00 0.00 57.00 59.86 1wgs n GLN 78 Cb 0.73 -3.52 -0.00 0.00 2.41 0.00 0.00 30.24 29.86 1wgs n GLN 78 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1wgs n LYS 79 N -0.49 -2.99 -3.40 3.69 5.02 -1.26 -4.96 118.16 113.77 1wgs n LYS 79 Ca 0.00 2.39 -0.38 0.00 -2.02 0.00 0.00 58.31 58.29 1wgs n LYS 79 Cb 0.00 -2.97 -0.08 0.00 -0.02 0.00 0.00 35.03 31.96 1wgs n LYS 79 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wgs s ASN 80 N -0.35 6.33 0.09 4.39 2.47 -1.26 -4.98 114.94 121.62 1wgs s ASN 80 Ca -0.01 0.38 -0.33 0.00 0.42 0.00 0.00 52.86 53.32 1wgs s ASN 80 Cb 0.00 -2.21 -0.16 0.00 -1.45 0.00 0.00 41.25 37.43 1wgs s ASN 80 CO 0.03 -0.12 1.60 0.77 -3.72 0.00 0.00 177.10 175.65 1wgs h SER 81 N 7.76 -1.05 -1.07 -4.21 4.64 -2.02 -3.42 113.55 114.18 1wgs h SER 81 Ca -0.34 0.08 -0.83 0.00 -0.47 0.00 0.00 61.79 60.23 1wgs h SER 81 Cb 1.16 0.33 0.01 0.00 -0.31 0.00 0.00 62.40 63.59 1wgs h SER 81 CO 0.68 -0.58 0.82 -0.62 -0.87 0.00 0.00 176.83 176.26 1wgs n GLU 82 N -5.51 0.34 -2.06 4.77 4.71 -1.26 -4.83 120.64 116.80 1wgs n GLU 82 Ca -0.12 0.12 -0.41 0.00 -0.01 0.00 0.00 57.16 56.75 1wgs n GLU 82 Cb 0.41 -1.69 -0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1wgs n GLU 82 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1wgs s LYS 83 N 3.48 4.31 0.15 3.49 2.47 -1.26 -5.02 119.74 127.36 1wgs s LYS 83 Ca 1.05 2.27 0.02 0.00 -1.56 0.00 0.00 55.97 57.74 1wgs s LYS 83 Cb -1.37 -3.07 -0.04 0.00 -1.46 0.00 0.00 37.83 31.89 1wgs s LYS 83 CO 0.76 -0.28 -0.01 -0.47 0.16 0.00 0.00 175.35 175.50 1wgs s TYR 84 N -0.85 1.10 -0.25 4.03 5.04 -1.26 -5.00 117.35 120.16 1wgs s TYR 84 Ca 0.52 -1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 54.08 1wgs s TYR 84 Cb -0.41 -0.63 0.03 0.00 0.35 0.00 0.00 41.96 41.30 1wgs s TYR 84 CO 0.52 -0.21 0.13 -0.11 -1.34 0.00 0.00 175.55 174.54 1wgs n LEU 85 N -0.18 -7.04 -3.59 6.97 7.94 -1.26 -5.04 117.00 114.80 1wgs n LEU 85 Ca -0.08 1.89 -0.20 0.00 -1.11 0.00 0.00 56.01 56.50 1wgs n LEU 85 Cb 0.63 -3.31 -0.15 0.00 0.53 0.00 0.00 43.42 41.11 1wgs n LEU 85 CO 0.32 -3.64 -0.26 -0.55 -1.11 0.00 0.00 177.39 172.15 1wgs s SER 86 N -1.13 1.48 -0.28 1.96 0.15 -1.26 -5.13 113.70 109.48 1wgs s SER 86 Ca -0.15 -0.16 -0.38 0.00 0.70 0.00 0.00 55.95 55.95 1wgs s SER 86 Cb 0.01 0.12 0.16 0.00 -1.71 0.00 0.00 66.02 64.60 1wgs s SER 86 CO 0.79 -0.30 1.38 -0.70 1.20 0.00 0.00 173.24 175.61 1wgs s GLU 87 N 2.25 0.03 1.03 5.44 2.12 -1.26 -5.16 118.70 123.14 1wgs s GLU 87 Ca 0.04 -0.01 -0.17 0.00 0.36 0.00 0.00 54.97 55.19 1wgs s GLU 87 Cb -0.14 0.01 0.08 0.00 0.26 0.00 0.00 34.13 34.34 1wgs s GLU 87 CO -0.09 -0.01 -0.12 1.47 -0.54 0.00 0.00 175.26 175.97 1wgs n LEU 88 N -0.03 -2.03 0.00 2.70 -0.00 -1.26 -5.03 117.00 111.35 1wgs n LEU 88 Ca 0.05 -0.21 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 1wgs n LEU 88 Cb 0.56 -0.78 -0.02 0.00 -0.00 0.00 0.00 43.42 43.18 1wgs n LEU 88 CO 0.08 -3.00 0.12 0.00 -0.00 0.00 0.00 177.39 174.59 1wgs n ALA 89 N -4.22 -0.22 -2.17 1.47 0.00 -1.26 -5.07 120.51 109.05 1wgs n ALA 89 Ca 0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 53.44 51.94 1wgs n ALA 89 Cb 0.50 0.98 -0.05 0.00 0.00 0.00 0.00 19.45 20.89 1wgs n ALA 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wgs s GLU 90 N -2.61 2.80 0.04 0.00 2.12 -1.26 -4.90 118.70 114.89 1wgs s GLU 90 Ca 0.22 -0.73 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1wgs s GLU 90 Cb -0.01 -5.18 -0.02 0.00 0.26 0.00 0.00 34.13 29.18 1wgs s GLU 90 CO 0.16 -3.25 -0.07 -0.65 -0.54 0.00 0.00 175.26 170.91 1wgs s GLN 91 N 6.38 0.49 0.30 4.30 -0.21 -1.26 -5.14 119.66 124.52 1wgs s GLN 91 Ca 0.65 -0.73 -0.28 0.00 0.02 0.00 0.00 55.36 55.02 1wgs s GLN 91 Cb -0.04 -0.24 -0.09 0.00 1.00 0.00 0.00 33.01 33.64 1wgs s GLN 91 CO 0.01 0.04 1.07 -1.25 -2.12 0.00 0.00 175.29 173.04 1wgs s PRO 92 N -1.54 4.57 -0.28 2.91 0.04 -1.26 -5.03 135.00 134.41 1wgs s PRO 92 Ca -0.11 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1wgs s PRO 92 Cb -0.10 -3.07 0.15 0.00 0.04 0.00 0.00 34.50 31.52 1wgs s PRO 92 CO 0.00 0.18 0.40 -1.83 0.04 0.00 0.00 177.00 175.79 1wgs s GLU 93 N -1.62 0.40 -0.10 4.56 4.04 -1.26 -5.14 118.70 119.57 1wgs s GLU 93 Ca 0.47 0.21 -0.33 0.00 0.04 0.00 0.00 54.97 55.36 1wgs s GLU 93 Cb -0.29 -0.36 0.13 0.00 0.02 0.00 0.00 34.13 33.63 1wgs s GLU 93 CO 0.38 -0.94 1.27 -0.98 -1.84 0.00 0.00 175.26 173.14 1wgs s ARG 94 N 2.54 0.33 -0.42 -4.83 1.70 -1.26 -5.11 118.95 111.90 1wgs s ARG 94 Ca 0.10 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.25 1wgs s ARG 94 Cb -0.13 0.13 0.17 0.00 -0.57 0.00 0.00 34.95 34.54 1wgs s ARG 94 CO -0.27 -0.15 0.37 0.21 -1.08 0.00 0.00 175.30 174.38 1wgs s LYS 95 N -2.39 0.89 1.13 3.89 2.20 -1.26 -5.13 119.74 119.07 1wgs s LYS 95 Ca 0.12 -1.91 -0.13 0.00 -0.36 0.00 0.00 55.97 53.69 1wgs s LYS 95 Cb 0.02 -1.25 0.27 0.00 -1.51 0.00 0.00 37.83 35.36 1wgs s LYS 95 CO -0.04 -1.37 1.04 -1.50 -0.36 0.00 0.00 175.35 173.13 1wgs s ILE 96 N 0.25 2.00 0.18 5.43 2.07 -1.26 -5.06 121.20 124.82 1wgs s ILE 96 Ca 0.31 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.40 1wgs s ILE 96 Cb 0.01 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.43 1wgs s ILE 96 CO -0.16 -0.00 0.45 0.28 -1.91 0.00 0.00 174.94 173.59 1wgs s THR 97 N -2.61 0.04 0.21 4.00 -1.32 -1.26 -5.18 115.64 109.52 1wgs s THR 97 Ca 0.68 -0.94 -0.23 0.00 -1.21 0.00 0.00 61.69 59.98 1wgs s THR 97 Cb -0.23 -1.63 0.04 0.00 -1.51 0.00 0.00 72.50 69.17 1wgs s THR 97 CO 0.63 -0.18 0.76 -0.60 -2.21 0.00 0.00 174.62 173.01 1wgs s ARG 98 N -3.90 1.50 0.24 7.08 3.52 -1.26 -5.19 118.95 120.95 1wgs s ARG 98 Ca 0.11 -0.78 -0.21 0.00 -0.13 0.00 0.00 55.73 54.73 1wgs s ARG 98 Cb 0.00 0.55 0.03 0.00 -1.56 0.00 0.00 34.95 33.98 1wgs s ARG 98 CO -0.03 -0.68 0.66 1.21 -0.81 0.00 0.00 175.30 175.65 1wgs s ASN 99 N -2.86 -0.33 0.29 -2.12 2.47 -1.26 -5.19 114.94 105.93 1wgs s ASN 99 Ca 0.09 -0.45 -0.17 0.00 0.42 0.00 0.00 52.86 52.75 1wgs s ASN 99 Cb -0.04 0.67 0.02 0.00 -1.45 0.00 0.00 41.25 40.45 1wgs s ASN 99 CO 0.01 -1.21 0.65 -1.10 -3.72 0.00 0.00 177.10 171.73 1wgs s GLN 100 N -3.87 1.79 0.16 0.43 -0.21 -1.26 -5.19 119.66 111.52 1wgs s GLN 100 Ca 0.09 -1.18 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 1wgs s GLN 100 Cb -0.04 0.56 0.05 0.00 1.00 0.00 0.00 33.01 34.58 1wgs s GLN 100 CO 0.01 -0.80 0.53 0.21 -2.12 0.00 0.00 175.29 173.11 1wgs s LYS 101 N -3.66 1.26 -0.02 2.91 2.20 -1.26 -5.18 119.74 115.98 1wgs s LYS 101 Ca 0.16 -0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 1wgs s LYS 101 Cb -0.04 0.54 0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1wgs s LYS 101 CO 0.09 -0.53 0.27 0.50 -0.36 0.00 0.00 175.35 175.32 1wgs s ARG 102 N -3.80 0.59 0.16 4.03 3.52 -1.26 -5.17 118.95 117.02 1wgs s ARG 102 Ca 0.04 -0.15 -0.22 0.00 -0.13 0.00 0.00 55.73 55.27 1wgs s ARG 102 Cb -0.00 0.26 0.06 0.00 -1.56 0.00 0.00 34.95 33.71 1wgs s ARG 102 CO -0.09 -0.15 0.58 -1.59 -0.81 0.00 0.00 175.30 173.24 1wgs s LYS 103 N -1.13 1.27 -0.21 5.12 0.00 -1.26 -5.18 119.74 118.35 1wgs s LYS 103 Ca -0.12 -0.51 -0.36 0.00 0.00 0.00 0.00 55.97 54.98 1wgs s LYS 103 Cb -0.05 0.58 0.14 0.00 0.00 0.00 0.00 37.83 38.50 1wgs s LYS 103 CO 0.03 -0.55 1.25 -1.58 0.00 0.00 0.00 175.35 174.50 1wgs s HIS 104 N -3.76 -0.10 0.00 1.78 2.46 -1.26 -5.18 115.29 109.22 1wgs s HIS 104 Ca 0.02 0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.62 1wgs s HIS 104 Cb -0.01 0.51 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 1wgs s HIS 104 CO -0.12 -0.16 0.00 -3.47 -2.47 0.00 0.00 174.74 168.52 1wgs n ASP 105 N -0.04 0.00 -3.68 9.88 -0.08 -1.26 -5.17 116.55 116.19 1wgs n ASP 105 Ca 0.01 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.20 1wgs n ASP 105 Cb 0.58 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.94 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 -1.04 0.47 0.80 -0.67 2.12 -1.26 -5.16 118.70 113.96 1wgs s GLU 106 Ca 0.00 0.89 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 1wgs s GLU 106 Cb 0.00 0.02 0.07 0.00 0.26 0.00 0.00 34.13 34.49 1wgs s GLU 106 CO 0.00 -0.15 1.16 0.96 -0.54 0.00 0.00 175.26 176.69 1wgs s ILE 107 N 1.43 2.22 -0.28 -3.70 -0.00 -1.26 -5.09 121.20 114.52 1wgs s ILE 107 Ca -0.09 0.07 -0.29 0.00 -0.00 0.00 0.00 60.65 60.34 1wgs s ILE 107 Cb -0.07 -3.05 0.19 0.00 -0.00 0.00 0.00 42.46 39.52 1wgs s ILE 107 CO -0.14 -0.09 1.34 0.54 -0.00 0.00 0.00 174.94 176.59 1wgs s ASN 108 N -4.51 -0.06 0.13 4.36 4.22 -1.26 -5.18 114.94 112.64 1wgs s ASN 108 Ca 0.62 0.06 0.02 0.00 -2.14 0.00 0.00 52.86 51.42 1wgs s ASN 108 Cb -0.11 0.05 -0.04 0.00 1.28 0.00 0.00 41.25 42.42 1wgs s ASN 108 CO 0.50 -0.05 -0.04 -2.28 -2.04 0.00 0.00 177.10 173.18 1wgs s HIS 109 N -0.95 1.04 0.00 1.54 2.46 -1.26 -5.16 115.29 112.96 1wgs s HIS 109 Ca 0.08 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 54.67 1wgs s HIS 109 Cb -0.01 -0.59 0.00 0.00 -0.13 0.00 0.00 32.58 31.85 1wgs s HIS 109 CO -0.08 -0.15 0.00 1.55 -2.47 0.00 0.00 174.74 173.59 1wgs n VAL 110 N -0.13 0.00 -0.71 0.89 3.14 -1.26 -5.03 118.33 115.24 1wgs n VAL 110 Ca -0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1wgs n VAL 110 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1wgs n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgs n GLN 111 N 0.00 0.63 0.00 1.45 10.64 -1.26 -5.08 117.38 123.76 1wgs n GLN 111 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1wgs n GLN 111 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1wgs n GLN 111 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1wgs n LYS 112 N -0.51 0.00 -4.18 2.61 0.00 -1.26 -5.17 118.16 109.65 1wgs n LYS 112 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1wgs n LYS 112 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1wgs n LYS 112 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wgs s THR 113 N 0.00 0.95 -0.28 3.15 -4.23 -1.26 -5.15 115.64 108.82 1wgs s THR 113 Ca 0.00 -1.65 -0.26 0.00 -1.18 0.00 0.00 61.69 58.60 1wgs s THR 113 Cb 0.00 -1.37 0.18 0.00 1.34 0.00 0.00 72.50 72.65 1wgs s THR 113 CO 0.00 -0.56 1.33 -0.47 -0.54 0.00 0.00 174.62 174.39 1wgs s TYR 114 N -2.44 -0.13 0.19 3.99 6.14 -1.26 -5.19 117.35 118.65 1wgs s TYR 114 Ca 0.06 0.30 -0.02 0.00 0.64 0.00 0.00 57.07 58.05 1wgs s TYR 114 Cb -0.03 0.47 0.01 0.00 0.42 0.00 0.00 41.96 42.83 1wgs s TYR 114 CO 0.00 -0.08 0.29 0.00 0.64 0.00 0.00 175.55 176.40 1wgs n ALA 115 N 1.36 -0.32 -2.54 3.97 0.00 -1.26 -5.17 120.51 116.55 1wgs n ALA 115 Ca -0.08 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.19 1wgs n ALA 115 Cb 0.57 0.67 -0.12 0.00 0.00 0.00 0.00 19.45 20.57 1wgs n ALA 115 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wgs s GLU 116 N -2.36 2.64 -0.20 0.00 -1.05 -1.26 -5.11 118.70 111.37 1wgs s GLU 116 Ca 0.14 -0.62 -0.08 0.00 -0.15 0.00 0.00 54.97 54.27 1wgs s GLU 116 Cb -0.01 -2.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 1wgs s GLU 116 CO 0.10 0.64 0.07 -1.64 0.95 0.00 0.00 175.26 175.38 1wgs s MET 117 N -0.75 3.93 0.00 -4.83 -1.94 -1.26 -5.04 119.30 109.41 1wgs s MET 117 Ca 0.12 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1wgs s MET 117 Cb -0.11 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1wgs s MET 117 CO 0.01 0.18 0.00 -0.40 -0.01 0.00 0.00 175.02 174.80 1wgs n ASP 118 N 3.82 0.00 0.09 3.03 5.68 -1.26 -5.08 116.55 122.83 1wgs n ASP 118 Ca -0.16 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.07 1wgs n ASP 118 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1wgs n ASP 118 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wgs h PRO 119 N 0.00 -0.31 -2.48 0.11 0.13 -2.09 -3.49 132.00 123.86 1wgs h PRO 119 Ca 0.00 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.30 1wgs h PRO 119 Cb 0.00 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 31.14 1wgs h PRO 119 CO 0.00 -0.18 0.48 -0.08 -0.23 0.00 0.00 178.00 177.99 1wgs s THR 120 N -2.67 0.00 -0.02 1.56 -1.32 -1.26 -5.18 115.64 106.74 1wgs s THR 120 Ca -0.05 -0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 59.61 1wgs s THR 120 Cb 0.00 -2.31 0.02 0.00 -1.51 0.00 0.00 72.50 68.70 1wgs s THR 120 CO 0.17 0.00 0.27 0.28 -2.21 0.00 0.00 174.62 173.13 1wgs s THR 121 N -2.93 0.06 0.11 5.08 -1.32 -1.26 -5.17 115.64 110.21 1wgs s THR 121 Ca 0.15 -0.46 -0.17 0.00 -1.21 0.00 0.00 61.69 60.00 1wgs s THR 121 Cb -0.02 -0.55 0.06 0.00 -1.51 0.00 0.00 72.50 70.47 1wgs s THR 121 CO 0.04 -0.25 0.80 0.00 -2.21 0.00 0.00 174.62 173.00 1wgs n ALA 122 N 1.50 -2.13 -3.18 11.08 0.00 -1.26 -5.19 120.51 121.33 1wgs n ALA 122 Ca -0.21 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.48 1wgs n ALA 122 Cb 0.56 0.37 -0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.36 -0.12 -3.64 0.00 0.00 -1.26 -5.18 120.51 108.95 1wgs n ALA 123 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.02 1wgs n ALA 123 Cb 0.43 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.55 -0.12 0.00 2.34 -1.26 -5.15 118.68 113.94 1wgs s LEU 124 Ca 0.05 0.90 -0.04 0.00 0.06 0.00 0.00 54.13 55.10 1wgs s LEU 124 Cb -0.00 1.83 0.06 0.00 -0.56 0.00 0.00 46.19 47.52 1wgs s LEU 124 CO 0.03 -0.14 0.19 -0.70 -1.06 0.00 0.00 176.35 174.67 1wgs s GLU 125 N 1.19 0.09 0.51 1.48 2.12 -1.26 -5.15 118.70 117.69 1wgs s GLU 125 Ca -0.07 0.50 0.05 0.00 0.36 0.00 0.00 54.97 55.81 1wgs s GLU 125 Cb -0.04 -0.49 0.01 0.00 0.26 0.00 0.00 34.13 33.88 1wgs s GLU 125 CO -0.14 -0.39 0.30 0.15 -0.54 0.00 0.00 175.26 174.64 1wgs s LYS 126 N 2.32 2.25 -0.30 4.30 1.02 -1.26 -5.14 119.74 122.93 1wgs s LYS 126 Ca 0.03 -2.04 -0.16 0.00 0.02 0.00 0.00 55.97 53.82 1wgs s LYS 126 Cb -0.13 -1.99 0.18 0.00 -0.52 0.00 0.00 37.83 35.36 1wgs s LYS 126 CO -0.08 -0.48 1.09 -2.00 -0.92 0.00 0.00 175.35 172.96 1wgs s GLU 127 N -4.15 0.20 0.34 1.68 2.12 -1.26 -5.18 118.70 112.44 1wgs s GLU 127 Ca 0.30 0.47 0.08 0.00 0.36 0.00 0.00 54.97 56.18 1wgs s GLU 127 Cb -0.01 0.28 -0.07 0.00 0.26 0.00 0.00 34.13 34.60 1wgs s GLU 127 CO 0.18 -0.09 -0.05 -1.54 -0.54 0.00 0.00 175.26 173.22 1wgs s SER 128 N 2.41 3.33 -0.30 -1.70 1.04 -1.26 -5.14 113.70 112.09 1wgs s SER 128 Ca -0.01 -1.25 -0.09 0.00 0.48 0.00 0.00 55.95 55.08 1wgs s SER 128 Cb -0.05 -0.28 0.18 0.00 0.10 0.00 0.00 66.02 65.97 1wgs s SER 128 CO -0.16 -0.34 0.96 -0.83 0.98 0.00 0.00 173.24 173.85 1wgs s GLY 129 N -3.57 -0.74 0.00 7.32 0.00 -1.26 -5.17 107.32 103.90 1wgs s GLY 129 Ca 0.32 2.23 0.00 0.00 0.00 0.00 0.00 44.72 47.27 1wgs s GLY 129 CO 0.15 3.89 0.00 -1.55 0.00 0.00 0.00 173.10 175.59 1wgs n PRO 130 N 5.32 0.31 -3.82 2.90 -0.04 -1.26 -5.12 135.00 133.29 1wgs n PRO 130 Ca 0.02 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.42 1wgs n PRO 130 Cb 0.55 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 -1.25 -0.14 0.08 3.54 1.04 -1.26 -5.19 113.70 110.53 1wgs s SER 131 Ca 0.00 -0.68 -0.27 0.00 0.48 0.00 0.00 55.95 55.48 1wgs s SER 131 Cb 0.00 0.66 0.09 0.00 0.10 0.00 0.00 66.02 66.86 1wgs s SER 131 CO 0.00 -1.25 1.07 -0.94 0.98 0.00 0.00 173.24 173.10 1wgs s SER 132 N -3.03 -0.14 0.00 7.02 1.04 -1.26 -5.38 113.70 111.94 1wgs s SER 132 Ca 0.14 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1wgs s SER 132 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1wgs s SER 132 CO 0.06 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.22