#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs n SER 2 N 0.00 1.89 0.00 1.61 3.41 -1.26 -5.01 113.62 114.27 1wgs n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wgs n SER 2 Cb 0.00 1.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1wgs n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wgs n SER 3 N -2.05 -0.03 -3.92 4.04 2.88 -1.26 -5.14 113.62 108.13 1wgs n SER 3 Ca -0.05 0.04 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 1wgs n SER 3 Cb 0.45 0.11 -0.14 0.00 -0.75 0.00 0.00 64.21 63.88 1wgs n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgs s GLY 4 N -1.08 0.14 0.00 0.46 0.00 -1.26 -5.15 107.32 100.43 1wgs s GLY 4 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 1wgs s GLY 4 CO 0.00 -0.18 0.41 -0.56 0.00 0.00 0.00 173.10 172.78 1wgs s SER 5 N -0.29 6.82 1.09 1.64 0.01 -1.26 -5.03 113.70 116.68 1wgs s SER 5 Ca -0.02 0.97 -0.19 0.00 1.31 0.00 0.00 55.95 58.03 1wgs s SER 5 Cb -0.02 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 64.01 1wgs s SER 5 CO -0.00 0.32 -0.14 -0.24 0.41 0.00 0.00 173.24 173.59 1wgs n SER 6 N 1.80 -2.48 -4.13 2.44 2.88 -1.26 -5.02 113.62 107.84 1wgs n SER 6 Ca -0.14 -0.06 -0.19 0.00 -1.33 0.00 0.00 58.87 57.16 1wgs n SER 6 Cb 0.52 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 62.93 1wgs n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgs s GLY 7 N -1.75 0.75 0.09 0.46 0.00 -1.26 -5.14 107.32 100.47 1wgs s GLY 7 Ca 0.54 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 44.21 1wgs s GLY 7 CO 0.67 -0.83 0.62 -0.54 0.00 0.00 0.00 173.10 173.02 1wgs s GLU 8 N -1.29 4.30 0.32 2.90 2.02 -1.26 -5.05 118.70 120.64 1wgs s GLU 8 Ca -0.01 0.84 -0.28 0.00 0.02 0.00 0.00 54.97 55.55 1wgs s GLU 8 Cb -0.08 -3.26 -0.09 0.00 0.10 0.00 0.00 34.13 30.80 1wgs s GLU 8 CO 0.01 0.59 1.07 -1.25 0.02 0.00 0.00 175.26 175.71 1wgs s PRO 9 N -1.01 4.48 0.15 0.39 0.04 -1.26 -5.04 135.00 132.75 1wgs s PRO 9 Ca 0.31 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 1wgs s PRO 9 Cb -0.20 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 1wgs s PRO 9 CO 0.21 0.11 0.45 -1.83 0.04 0.00 0.00 177.00 175.98 1wgs s GLU 10 N -1.80 3.76 0.34 4.56 -1.05 -1.26 -5.10 118.70 118.15 1wgs s GLU 10 Ca 0.49 0.16 0.03 0.00 -0.15 0.00 0.00 54.97 55.50 1wgs s GLU 10 Cb -0.28 -2.84 -0.01 0.00 -0.44 0.00 0.00 34.13 30.56 1wgs s GLU 10 CO 0.36 0.45 0.10 1.55 0.95 0.00 0.00 175.26 178.67 1wgs n VAL 11 N 0.35 0.00 -3.64 1.83 3.14 -1.26 -5.18 118.33 113.57 1wgs n VAL 11 Ca -0.04 -1.92 -0.08 0.00 -2.96 0.00 0.00 64.34 59.35 1wgs n VAL 11 Cb 0.52 0.64 -0.02 0.00 -1.06 0.00 0.00 33.84 33.92 1wgs n VAL 11 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgs s THR 12 N -2.73 0.00 0.07 1.55 2.01 -1.26 -5.18 115.64 110.09 1wgs s THR 12 Ca 0.14 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1wgs s THR 12 Cb 0.01 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1wgs s THR 12 CO 0.10 0.00 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.26 1wgs s VAL 13 N -3.56 0.67 -0.05 3.82 1.01 -1.26 -5.01 120.40 116.02 1wgs s VAL 13 Ca 0.07 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.67 1wgs s VAL 13 Cb -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1wgs s VAL 13 CO -0.03 -0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 172.77 1wgs s GLU 14 N -2.42 1.66 0.54 2.72 0.41 -1.26 -5.14 118.70 115.21 1wgs s GLU 14 Ca -0.01 -0.53 -0.12 0.00 -0.41 0.00 0.00 54.97 53.90 1wgs s GLU 14 Cb -0.04 -1.43 -0.06 0.00 -1.78 0.00 0.00 34.13 30.82 1wgs s GLU 14 CO -0.01 0.18 0.96 0.42 -0.49 0.00 0.00 175.26 176.32 1wgs s ILE 15 N 0.18 4.68 0.00 -1.63 -1.09 -1.26 -3.78 121.20 118.30 1wgs s ILE 15 Ca -0.06 0.89 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1wgs s ILE 15 Cb -0.12 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1wgs s ILE 15 CO 0.02 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.46 1wgs n GLY 16 N -2.11 2.68 3.92 6.18 0.00 -0.88 -5.00 105.19 109.99 1wgs n GLY 16 Ca 0.05 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 3.09 0.02 1.61 8.01 -1.25 -4.80 118.70 125.38 1wgs s GLU 17 Ca 0.00 0.01 0.01 0.00 0.01 0.00 0.00 54.97 55.00 1wgs s GLU 17 Cb 0.00 -2.32 -0.04 0.00 -4.31 0.00 0.00 34.13 27.46 1wgs s GLU 17 CO 0.00 -0.54 0.04 0.99 0.01 0.00 0.00 175.26 175.76 1wgs s THR 18 N -2.90 4.42 0.05 3.63 2.01 -1.26 -1.73 115.64 119.86 1wgs s THR 18 Ca 0.52 -0.58 -0.00 0.00 0.31 0.00 0.00 61.69 61.93 1wgs s THR 18 Cb -0.10 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 1wgs s THR 18 CO 0.45 0.31 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.34 1wgs s TYR 19 N -1.19 0.52 -0.33 4.92 1.51 -0.48 -4.95 117.35 117.36 1wgs s TYR 19 Ca 0.23 -0.93 -0.29 0.00 -1.01 0.00 0.00 57.07 55.07 1wgs s TYR 19 Cb -0.12 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 1wgs s TYR 19 CO 0.14 -0.31 1.18 -0.51 -1.11 0.00 0.00 175.55 174.94 1wgs s LEU 20 N -2.60 3.88 -0.20 -1.29 2.01 -1.26 -1.42 118.68 117.79 1wgs s LEU 20 Ca 0.03 1.05 -0.09 0.00 0.01 0.00 0.00 54.13 55.13 1wgs s LEU 20 Cb 0.04 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.65 1wgs s LEU 20 CO -0.07 -1.00 0.10 0.00 1.01 0.00 0.00 176.35 176.38 1wgs n ARG 22 N 3.82 -0.53 -4.06 0.00 0.63 -0.57 -0.08 116.66 115.87 1wgs n ARG 22 Ca -0.16 -0.11 -0.08 0.00 -0.92 0.00 0.00 57.85 56.58 1wgs n ARG 22 Cb 0.52 -1.95 -0.10 0.00 0.45 0.00 0.00 32.46 31.37 1wgs n ARG 22 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wgs s ARG 23 N -3.84 0.52 -0.65 -0.14 1.81 -0.09 -4.67 118.95 111.90 1wgs s ARG 23 Ca 0.59 -1.04 -0.06 0.00 -1.72 0.00 0.00 55.73 53.50 1wgs s ARG 23 Cb -0.21 0.18 -0.13 0.00 -0.45 0.00 0.00 34.95 34.34 1wgs s ARG 23 CO 0.65 -0.09 2.64 -0.35 -0.68 0.00 0.00 175.30 177.48 1wgs n PRO 24 N 0.55 2.18 -0.89 3.54 -0.04 -1.26 -2.95 135.00 136.13 1wgs n PRO 24 Ca -0.17 -1.29 -0.05 0.00 -0.04 0.00 0.00 63.50 61.94 1wgs n PRO 24 Cb 0.59 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 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 3.33 -0.79 -3.30 3.54 -0.08 -1.26 -4.98 116.55 113.02 1wgs n ASP 25 Ca 0.46 -1.75 -0.23 0.00 -1.51 0.00 0.00 54.79 51.77 1wgs n ASP 25 Cb 0.41 0.24 0.01 0.00 2.34 0.00 0.00 41.12 44.11 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 0.00 -4.30 -3.27 1.67 2.88 -1.15 -4.92 113.62 104.53 1wgs n SER 26 Ca -0.22 -0.37 -0.20 0.00 -1.33 0.00 0.00 58.87 56.75 1wgs n SER 26 Cb 0.65 -3.53 -0.07 0.00 -0.75 0.00 0.00 64.21 60.51 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wgs n THR 27 N -4.09 0.00 -4.25 2.46 -2.24 -1.25 -5.03 114.28 99.89 1wgs n THR 27 Ca -0.04 -2.25 -0.20 0.00 -2.27 0.00 0.00 64.05 59.29 1wgs n THR 27 Cb 0.56 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 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 -3.17 1.40 0.04 4.78 0.52 -1.26 -0.91 118.94 120.33 1wgs s TRP 28 Ca 0.31 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 56.03 1wgs s TRP 28 Cb 0.02 -0.79 -0.02 0.00 -1.15 0.00 0.00 33.47 31.53 1wgs s TRP 28 CO 0.22 0.09 -0.07 -1.01 0.02 0.00 0.00 176.95 176.21 1wgs s HIS 29 N -1.16 0.60 0.44 -1.98 3.76 0.88 -4.91 115.29 112.92 1wgs s HIS 29 Ca 0.01 -0.50 -0.23 0.00 -0.15 0.00 0.00 55.06 54.19 1wgs s HIS 29 Cb -0.10 -0.37 -0.08 0.00 1.11 0.00 0.00 32.58 33.15 1wgs s HIS 29 CO 0.03 -0.10 1.12 -1.54 -0.85 0.00 0.00 174.74 173.39 1wgs s SER 30 N -1.54 6.41 -0.29 1.40 1.04 -1.26 0.18 113.70 119.64 1wgs s SER 30 Ca -0.11 2.19 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 1wgs s SER 30 Cb -0.10 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.53 1wgs s SER 30 CO 0.00 -0.75 0.75 0.00 0.98 0.00 0.00 173.24 174.22 1wgs s ALA 31 N -1.60 -2.01 0.03 5.32 0.00 -0.51 -4.06 121.76 118.93 1wgs s ALA 31 Ca 0.61 2.36 -0.30 0.00 0.00 0.00 0.00 51.96 54.63 1wgs s ALA 31 Cb -0.26 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1wgs s ALA 31 CO 0.32 -0.49 0.99 -1.83 0.00 0.00 0.00 175.76 174.75 1wgs s GLU 32 N 1.83 4.59 -0.58 0.00 -1.05 0.70 -1.38 118.70 122.81 1wgs s GLU 32 Ca -0.09 1.45 -0.28 0.00 -0.15 0.00 0.00 54.97 55.90 1wgs s GLU 32 Cb -0.06 -3.43 0.03 0.00 -0.44 0.00 0.00 34.13 30.22 1wgs s GLU 32 CO -0.19 0.00 1.26 0.08 0.95 0.00 0.00 175.26 177.36 1wgs s VAL 33 N 0.76 3.94 0.03 1.83 1.01 -0.70 0.18 120.40 127.45 1wgs s VAL 33 Ca 0.51 0.83 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 1wgs s VAL 33 Cb -0.22 -4.65 -0.17 0.00 0.00 0.00 0.00 36.38 31.34 1wgs s VAL 33 CO 0.29 -1.31 1.29 0.40 0.00 0.00 0.00 175.10 175.77 1wgs h ILE 34 N 6.21 0.32 -2.42 2.22 1.08 0.17 -2.33 117.51 122.77 1wgs h ILE 34 Ca -0.26 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.86 1wgs h ILE 34 Cb 1.07 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 1wgs h ILE 34 CO 1.19 0.04 0.04 0.00 -0.69 0.00 0.00 178.15 178.72 1wgs n GLN 35 N -5.34 0.31 -4.17 2.37 1.13 -1.22 -4.54 117.38 105.92 1wgs n GLN 35 Ca -0.12 -0.75 -0.16 0.00 -1.94 0.00 0.00 57.00 54.03 1wgs n GLN 35 Cb 0.34 0.85 -0.11 0.00 0.11 0.00 0.00 30.24 31.43 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 -1.65 1.52 0.13 1.08 1.04 -1.26 -1.72 113.70 112.83 1wgs s SER 36 Ca 0.06 -0.71 -0.16 0.00 0.48 0.00 0.00 55.95 55.62 1wgs s SER 36 Cb -0.01 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.12 1wgs s SER 36 CO 0.05 -0.18 0.39 0.00 0.98 0.00 0.00 173.24 174.48 1wgs s ARG 37 N -2.27 1.07 0.05 4.02 1.70 -0.66 -4.98 118.95 117.88 1wgs s ARG 37 Ca 0.01 -0.74 0.07 0.00 -0.47 0.00 0.00 55.73 54.61 1wgs s ARG 37 Cb -0.06 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1wgs s ARG 37 CO 0.01 -0.42 -0.20 0.08 -1.08 0.00 0.00 175.30 173.70 1wgs s VAL 38 N -3.81 1.61 -0.30 4.99 1.01 -1.26 -0.79 120.40 121.85 1wgs s VAL 38 Ca 0.04 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 1wgs s VAL 38 Cb 0.02 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1wgs s VAL 38 CO -0.11 0.14 0.09 0.20 0.00 0.00 0.00 175.10 175.41 1wgs s ASN 39 N -1.28 5.16 0.03 3.32 -0.87 0.13 -4.96 114.94 116.47 1wgs s ASN 39 Ca 0.07 -0.70 -0.17 0.00 -1.57 0.00 0.00 52.86 50.48 1wgs s ASN 39 Cb -0.09 -1.89 -0.27 0.00 -0.02 0.00 0.00 41.25 38.98 1wgs s ASN 39 CO 0.02 -0.19 1.09 -0.78 -2.57 0.00 0.00 177.10 174.66 1wgs h ASP 40 N 8.24 0.75 0.28 -1.22 1.82 -1.95 0.79 116.42 125.13 1wgs h ASP 40 Ca -0.31 -0.81 -0.00 0.00 -0.39 0.00 0.00 57.03 55.51 1wgs h ASP 40 Cb 1.13 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.87 1wgs h ASP 40 CO 0.60 1.48 -0.46 1.56 -1.61 0.00 0.00 179.24 180.81 1wgs h GLN 41 N 0.11 -0.77 0.06 0.28 4.20 -1.97 -3.04 115.11 113.98 1wgs h GLN 41 Ca -0.15 0.05 -0.27 0.00 0.06 0.00 0.00 58.65 58.35 1wgs h GLN 41 Cb 1.70 0.17 0.02 0.00 0.30 0.00 0.00 27.48 29.67 1wgs h GLN 41 CO 0.19 -0.51 -1.12 0.93 -0.67 0.00 0.00 178.83 177.65 1wgs h GLU 42 N -0.79 0.56 -1.75 1.46 4.39 -2.00 -3.48 114.58 112.97 1wgs h GLU 42 Ca -0.03 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 58.98 1wgs h GLU 42 Cb 0.73 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1wgs h GLU 42 CO -0.15 1.28 0.00 0.41 -1.16 0.00 0.00 179.01 179.39 1wgs n GLY 43 N 1.20 0.65 3.43 -3.84 0.00 0.26 -5.08 105.19 101.82 1wgs n GLY 43 Ca -0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.65 1.55 0.26 1.61 1.70 -0.51 -4.97 118.95 115.94 1wgs s ARG 44 Ca 0.00 -1.53 0.07 0.00 -0.47 0.00 0.00 55.73 53.79 1wgs s ARG 44 Cb 0.00 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1wgs s ARG 44 CO 0.00 -0.60 0.22 -1.21 -1.08 0.00 0.00 175.30 172.63 1wgs s GLU 45 N -3.79 2.95 0.14 3.89 2.02 -1.26 0.23 118.70 122.88 1wgs s GLU 45 Ca 0.30 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 54.09 1wgs s GLU 45 Cb 0.02 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.69 1wgs s GLU 45 CO 0.14 0.37 0.40 -1.21 0.02 0.00 0.00 175.26 174.98 1wgs s GLU 46 N -3.87 1.12 -0.13 1.61 2.02 0.03 -4.66 118.70 114.81 1wgs s GLU 46 Ca 0.34 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 1wgs s GLU 46 Cb -0.08 0.46 0.06 0.00 0.10 0.00 0.00 34.13 34.68 1wgs s GLU 46 CO 0.25 -0.44 0.28 -0.06 0.02 0.00 0.00 175.26 175.32 1wgs s PHE 47 N -3.83 -0.44 -0.82 1.61 0.40 -0.10 -1.65 117.98 113.14 1wgs s PHE 47 Ca 0.05 0.99 -0.25 0.00 -0.60 0.00 0.00 56.93 57.12 1wgs s PHE 47 Cb 0.02 0.03 0.02 0.00 0.51 0.00 0.00 43.02 43.60 1wgs s PHE 47 CO -0.09 -0.33 1.50 -0.47 0.70 0.00 0.00 175.22 176.53 1wgs s TYR 48 N 2.06 2.20 -0.07 0.36 5.04 -0.70 0.16 117.35 126.40 1wgs s TYR 48 Ca -0.03 -0.07 -0.11 0.00 -2.44 0.00 0.00 57.07 54.42 1wgs s TYR 48 Cb -0.11 -4.49 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 1wgs s TYR 48 CO -0.09 -2.04 0.28 0.14 -1.34 0.00 0.00 175.55 172.50 1wgs s VAL 49 N 6.57 5.26 -0.22 3.14 -7.23 -0.98 0.19 120.40 127.12 1wgs s VAL 49 Ca 0.48 0.54 -0.07 0.00 -1.81 0.00 0.00 61.98 61.12 1wgs s VAL 49 Cb -0.06 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 1wgs s VAL 49 CO 0.07 0.58 0.05 -2.28 -0.31 0.00 0.00 175.10 173.21 1wgs s HIS 50 N -0.93 3.12 -0.96 2.82 2.46 0.49 -3.56 115.29 118.73 1wgs s HIS 50 Ca 0.19 -0.27 -0.24 0.00 0.47 0.00 0.00 55.06 55.22 1wgs s HIS 50 Cb -0.14 -2.16 0.03 0.00 -0.13 0.00 0.00 32.58 30.18 1wgs s HIS 50 CO 0.08 -0.17 1.54 0.71 -2.47 0.00 0.00 174.74 174.43 1wgs s TYR 51 N 1.10 2.35 0.01 3.88 2.02 -1.21 -0.21 117.35 125.28 1wgs s TYR 51 Ca 0.04 -0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 55.99 1wgs s TYR 51 Cb -0.14 -4.55 -0.07 0.00 -0.40 0.00 0.00 41.96 36.79 1wgs s TYR 51 CO 0.03 -1.92 1.74 0.14 -1.57 0.00 0.00 175.55 173.97 1wgs s VAL 52 N 6.13 3.27 0.00 0.71 -7.23 -1.26 -3.07 120.40 118.95 1wgs s VAL 52 Ca 0.50 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 1wgs s VAL 52 Cb -0.02 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.63 1wgs s VAL 52 CO -0.05 -0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1wgs n GLY 53 N 4.21 2.49 0.00 2.32 0.00 -1.26 -4.93 105.19 108.02 1wgs n GLY 53 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.17 1.61 3.72 -1.17 -4.94 117.46 113.51 1wgs n PHE 54 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 1wgs n PHE 54 Cb 0.00 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1wgs n PHE 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wgs n ASN 55 N -1.06 -0.17 -0.05 4.37 3.02 -1.25 -5.07 115.26 115.05 1wgs n ASN 55 Ca 0.00 -1.11 -0.04 0.00 -0.03 0.00 0.00 54.58 53.40 1wgs n ASN 55 Cb 0.00 0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 1wgs n ASN 55 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1wgs n ARG 56 N -0.05 0.31 0.04 3.52 0.63 -1.26 -4.23 116.66 115.63 1wgs n ARG 56 Ca -0.01 0.35 0.20 0.00 -0.92 0.00 0.00 57.85 57.48 1wgs n ARG 56 Cb 0.05 -1.29 0.58 0.00 0.45 0.00 0.00 32.46 32.24 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 -0.65 0.00 -4.26 -0.14 0.11 -1.98 -3.18 114.38 104.27 1wgs h ARG 57 Ca 0.00 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 1wgs h ARG 57 Cb 0.42 0.00 0.05 0.00 1.11 0.00 0.00 29.97 31.55 1wgs h ARG 57 CO 0.00 0.00 2.12 1.28 0.10 0.00 0.00 179.97 183.47 1wgs n LEU 58 N -3.31 3.48 -3.77 0.08 4.32 -1.26 -4.74 117.00 111.81 1wgs n LEU 58 Ca 0.11 -2.52 -0.23 0.00 -0.02 0.00 0.00 56.01 53.35 1wgs n LEU 58 Cb 0.94 -0.96 -0.18 0.00 -1.62 0.00 0.00 43.42 41.60 1wgs n LEU 58 CO 0.21 -0.45 -0.38 -1.81 -1.22 0.00 0.00 177.39 173.75 1wgs s ASP 59 N 4.91 1.52 0.15 -1.43 1.01 -1.21 -3.35 116.67 118.28 1wgs s ASP 59 Ca 0.50 -0.07 -0.11 0.00 0.71 0.00 0.00 52.55 53.57 1wgs s ASP 59 Cb 0.12 -0.42 0.01 0.00 1.01 0.00 0.00 42.92 43.64 1wgs s ASP 59 CO 0.11 -0.19 0.32 -1.83 0.21 0.00 0.00 175.17 173.79 1wgs s GLU 60 N 1.95 1.12 0.40 8.23 -1.05 -1.23 -5.03 118.70 123.09 1wgs s GLU 60 Ca 0.04 -1.01 -0.21 0.00 -0.15 0.00 0.00 54.97 53.64 1wgs s GLU 60 Cb -0.12 0.41 -0.11 0.00 -0.44 0.00 0.00 34.13 33.87 1wgs s GLU 60 CO -0.05 -0.42 0.93 -1.58 0.95 0.00 0.00 175.26 175.09 1wgs s TRP 61 N -3.91 3.38 0.37 4.83 0.52 -1.26 -2.33 118.94 120.55 1wgs s TRP 61 Ca 0.11 1.61 0.03 0.00 0.02 0.00 0.00 56.10 57.88 1wgs s TRP 61 Cb 0.03 -2.84 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 1wgs s TRP 61 CO -0.04 -0.04 0.10 0.14 0.02 0.00 0.00 176.95 177.13 1wgs s VAL 62 N -2.07 0.82 0.22 4.03 -7.23 0.12 -4.83 120.40 111.47 1wgs s VAL 62 Ca 0.59 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1wgs s VAL 62 Cb -0.11 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1wgs s VAL 62 CO 0.15 0.00 0.21 -1.81 -0.31 0.00 0.00 175.10 173.35 1wgs s ASP 63 N -3.56 5.72 0.41 4.85 1.01 -1.26 -0.92 116.67 122.93 1wgs s ASP 63 Ca 0.28 -0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.50 1wgs s ASP 63 Cb 0.05 -1.53 0.90 0.00 1.01 0.00 0.00 42.92 43.34 1wgs s ASP 63 CO 0.14 -0.01 2.02 0.11 0.21 0.00 0.00 175.17 177.65 1wgs h LYS 64 N 1.74 0.52 -0.23 8.23 1.57 -1.92 -0.60 116.57 125.88 1wgs h LYS 64 Ca -0.49 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.18 1wgs h LYS 64 Cb 1.22 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1wgs h LYS 64 CO 0.62 0.34 -0.18 -0.97 -0.57 0.00 0.00 179.45 178.70 1wgs h ASN 65 N 0.54 0.56 0.22 0.86 -1.24 -1.98 -2.60 115.58 111.93 1wgs h ASN 65 Ca 0.21 -0.45 -0.00 0.00 0.71 0.00 0.00 56.30 56.77 1wgs h ASN 65 Cb 0.17 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.06 1wgs h ASN 65 CO -0.06 0.89 -0.02 0.03 -1.29 0.00 0.00 177.43 176.99 1wgs h ARG 66 N 0.23 0.00 -6.92 6.67 3.08 -1.61 -3.42 114.38 112.41 1wgs h ARG 66 Ca 0.04 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.64 1wgs h ARG 66 Cb 0.71 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.81 1wgs h ARG 66 CO 0.05 0.02 0.03 -0.51 -1.07 0.00 0.00 179.97 178.48 1wgs s LEU 67 N -6.55 3.30 -0.48 3.04 1.43 -0.36 -1.51 118.68 117.54 1wgs s LEU 67 Ca -0.04 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 1wgs s LEU 67 Cb 0.13 -3.10 0.06 0.00 0.03 0.00 0.00 46.19 43.31 1wgs s LEU 67 CO 0.48 -1.08 0.51 0.00 0.23 0.00 0.00 176.35 176.49 1wgs s ALA 68 N -2.82 3.47 -0.33 4.21 0.00 -0.81 -4.94 121.76 120.55 1wgs s ALA 68 Ca 0.55 -1.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.60 1wgs s ALA 68 Cb -0.10 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1wgs s ALA 68 CO 0.40 -1.85 0.05 -0.51 0.00 0.00 0.00 175.76 173.86 1wgs s LEU 69 N 2.15 4.25 0.18 0.00 1.43 -1.26 -4.73 118.68 120.70 1wgs s LEU 69 Ca 0.10 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 1wgs s LEU 69 Cb -0.21 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1wgs s LEU 69 CO 0.10 -0.33 0.00 0.41 0.23 0.00 0.00 176.35 176.76 1wgs n THR 70 N 4.63 0.00 0.25 5.49 -1.04 -1.26 -3.81 114.28 118.54 1wgs n THR 70 Ca -0.10 0.15 0.15 0.00 -2.04 0.00 0.00 64.05 62.21 1wgs n THR 70 Cb 0.43 -0.35 0.70 0.00 -1.82 0.00 0.00 70.33 69.29 1wgs n THR 70 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1wgs h LYS 71 N -0.57 0.00 -7.41 -2.82 2.10 -2.05 -3.41 116.57 102.42 1wgs h LYS 71 Ca -0.02 0.00 -0.44 0.00 -2.00 0.00 0.00 60.65 58.19 1wgs h LYS 71 Cb 0.56 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.05 1wgs h LYS 71 CO 0.02 0.00 0.20 0.99 -2.00 0.00 0.00 179.45 178.66 1wgs s THR 72 N -4.23 1.89 -0.05 0.07 2.01 -1.25 -4.57 115.64 109.51 1wgs s THR 72 Ca -0.03 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 1wgs s THR 72 Cb 0.10 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 70.06 1wgs s THR 72 CO 0.32 0.00 0.03 1.33 -0.69 0.00 0.00 174.62 175.60 1wgs n VAL 73 N -4.27 -3.92 -3.81 3.82 0.24 -1.26 -4.28 118.33 104.85 1wgs n VAL 73 Ca 0.08 0.71 -0.01 0.00 -2.04 0.00 0.00 64.34 63.08 1wgs n VAL 73 Cb 0.58 -3.64 0.00 0.00 -1.47 0.00 0.00 33.84 29.32 1wgs n VAL 73 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1wgs s LYS 74 N -0.69 0.90 0.10 7.34 -2.85 -1.26 -4.47 119.74 118.81 1wgs s LYS 74 Ca -0.03 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 1wgs s LYS 74 Cb 0.00 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1wgs s LYS 74 CO 0.17 -0.42 0.00 -3.47 0.10 0.00 0.00 175.35 171.73 1wgs n ASP 75 N -0.85 0.32 -2.69 0.03 -0.08 -1.26 -5.04 116.55 106.98 1wgs n ASP 75 Ca -0.04 0.16 -0.06 0.00 -1.51 0.00 0.00 54.79 53.35 1wgs n ASP 75 Cb 0.60 -0.01 0.09 0.00 2.34 0.00 0.00 41.12 44.14 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 -3.05 -2.42 -2.41 -1.67 0.00 -1.26 -5.04 120.51 104.66 1wgs n ALA 76 Ca 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 1wgs n ALA 76 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.05 1wgs n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wgs n VAL 77 N 0.89 5.45 -4.01 0.00 0.24 -1.26 -4.92 118.33 114.73 1wgs n VAL 77 Ca 0.01 -5.16 -0.34 0.00 -2.04 0.00 0.00 64.34 56.81 1wgs n VAL 77 Cb 0.71 -1.93 -0.15 0.00 -1.47 0.00 0.00 33.84 31.01 1wgs n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgs s GLN 78 N -2.31 2.82 0.22 7.34 -2.07 -1.26 -5.08 119.66 119.33 1wgs s GLN 78 Ca 0.43 -0.97 -0.01 0.00 -1.82 0.00 0.00 55.36 52.99 1wgs s GLN 78 Cb 0.15 -2.88 0.01 0.00 -1.09 0.00 0.00 33.01 29.20 1wgs s GLN 78 CO -0.06 -0.37 0.31 0.36 -1.32 0.00 0.00 175.29 174.21 1wgs n LYS 79 N 4.63 0.45 0.11 9.60 2.85 -1.26 -5.07 118.16 129.48 1wgs n LYS 79 Ca -0.17 -1.75 -0.14 0.00 -1.05 0.00 0.00 58.31 55.19 1wgs n LYS 79 Cb 0.47 1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 36.47 1wgs n LYS 79 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wgs h ASN 80 N 1.24 -1.31 -4.01 -5.58 2.35 -2.00 -3.48 115.58 102.78 1wgs h ASN 80 Ca -0.17 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1wgs h ASN 80 Cb 0.75 0.48 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1wgs h ASN 80 CO 0.23 -0.48 -0.18 -0.24 -1.65 0.00 0.00 177.43 175.11 1wgs n SER 81 N -4.97 -2.48 -0.64 5.81 2.88 -1.26 -5.06 113.62 107.90 1wgs n SER 81 Ca -0.07 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1wgs n SER 81 Cb 0.35 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1wgs n SER 81 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wgs n GLU 82 N -1.02 -1.77 -1.10 -1.46 1.02 -1.26 -5.05 120.64 110.00 1wgs n GLU 82 Ca 0.00 1.34 0.00 0.00 -0.02 0.00 0.00 57.16 58.48 1wgs n GLU 82 Cb 0.01 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1wgs n GLU 82 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1wgs n LYS 83 N -1.40 -2.52 0.06 3.49 4.81 -1.26 -5.07 118.16 116.27 1wgs n LYS 83 Ca 0.00 1.97 0.00 0.00 -0.87 0.00 0.00 58.31 59.41 1wgs n LYS 83 Cb 0.09 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.20 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 0.58 -2.13 -4.67 5.64 9.36 -1.26 -5.12 117.16 119.56 1wgs n TYR 84 Ca 0.00 0.33 -0.24 0.00 3.32 0.00 0.00 57.90 61.30 1wgs n TYR 84 Cb 0.00 1.10 -0.16 0.00 -0.63 0.00 0.00 39.34 39.65 1wgs n TYR 84 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1wgs s LEU 85 N -5.55 1.83 -0.30 2.98 0.20 -1.26 -5.11 118.68 111.48 1wgs s LEU 85 Ca 0.00 -0.30 -0.13 0.00 0.69 0.00 0.00 54.13 54.39 1wgs s LEU 85 Cb 0.00 -0.84 0.17 0.00 -0.43 0.00 0.00 46.19 45.10 1wgs s LEU 85 CO 0.00 0.11 0.99 -0.94 -0.29 0.00 0.00 176.35 176.22 1wgs s SER 86 N 0.21 -0.58 0.00 3.68 1.04 -1.26 -5.17 113.70 111.61 1wgs s SER 86 Ca -0.06 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1wgs s SER 86 Cb -0.12 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.56 1wgs s SER 86 CO 0.02 -0.11 0.00 -0.62 0.98 0.00 0.00 173.24 173.51 1wgs n GLU 87 N 5.24 0.00 -1.22 4.02 -0.58 -1.26 -5.15 120.64 121.69 1wgs n GLU 87 Ca -0.07 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.32 1wgs n GLU 87 Cb 0.53 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.50 1wgs n GLU 87 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wgs n LEU 88 N 0.00 3.40 -3.62 -4.62 7.99 -1.26 -5.02 117.00 113.87 1wgs n LEU 88 Ca 0.00 0.61 -0.07 0.00 -0.01 0.00 0.00 56.01 56.53 1wgs n LEU 88 Cb 0.00 -1.42 -0.06 0.00 -0.11 0.00 0.00 43.42 41.83 1wgs n LEU 88 CO 0.00 -2.10 0.90 0.00 -1.51 0.00 0.00 177.39 174.68 1wgs s ALA 89 N -1.98 -2.03 0.22 -1.18 0.00 -1.26 -5.13 121.76 110.41 1wgs s ALA 89 Ca 0.72 1.74 0.00 0.00 0.00 0.00 0.00 51.96 54.41 1wgs s ALA 89 Cb -0.32 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1wgs s ALA 89 CO 0.52 -0.24 0.00 -1.91 0.00 0.00 0.00 175.76 174.13 1wgs n GLU 90 N 1.23 -4.56 -4.42 0.00 2.13 -1.26 -5.06 120.64 108.71 1wgs n GLU 90 Ca -0.09 3.30 -0.21 0.00 0.66 0.00 0.00 57.16 60.83 1wgs n GLU 90 Cb 0.57 -3.51 -0.10 0.00 0.27 0.00 0.00 31.44 28.67 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 -1.51 1.52 0.45 5.31 1.11 -1.26 -5.14 119.66 120.15 1wgs s GLN 91 Ca 0.00 -1.77 -0.22 0.00 0.01 0.00 0.00 55.36 53.38 1wgs s GLN 91 Cb 0.00 -1.08 -0.09 0.00 -1.01 0.00 0.00 33.01 30.84 1wgs s GLN 91 CO 0.00 0.02 1.04 -1.25 0.01 0.00 0.00 175.29 175.11 1wgs s PRO 92 N -3.75 3.96 -0.30 2.91 0.04 -1.26 -5.05 135.00 131.55 1wgs s PRO 92 Ca 0.29 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1wgs s PRO 92 Cb 0.04 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1wgs s PRO 92 CO 0.11 -0.31 1.03 -2.00 0.04 0.00 0.00 177.00 175.88 1wgs s GLU 93 N -2.92 0.26 0.19 4.56 2.12 -1.26 -5.18 118.70 116.48 1wgs s GLU 93 Ca 0.63 0.64 0.01 0.00 0.36 0.00 0.00 54.97 56.61 1wgs s GLU 93 Cb -0.19 0.37 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 1wgs s GLU 93 CO 0.23 -0.09 0.05 0.50 -0.54 0.00 0.00 175.26 175.42 1wgs s ARG 94 N 2.36 1.18 -0.44 4.30 6.06 -1.26 -5.12 118.95 126.03 1wgs s ARG 94 Ca -0.02 -1.60 0.05 0.00 -2.50 0.00 0.00 55.73 51.66 1wgs s ARG 94 Cb -0.05 -0.12 0.18 0.00 0.06 0.00 0.00 34.95 35.01 1wgs s ARG 94 CO -0.17 -0.23 0.48 0.21 -2.50 0.00 0.00 175.30 173.09 1wgs s LYS 95 N -4.00 0.94 1.13 5.12 2.36 -1.26 -5.14 119.74 118.89 1wgs s LYS 95 Ca 0.30 -1.61 -0.13 0.00 -2.55 0.00 0.00 55.97 51.98 1wgs s LYS 95 Cb 0.07 -0.86 0.27 0.00 -1.05 0.00 0.00 37.83 36.26 1wgs s LYS 95 CO 0.07 -1.35 1.04 -1.50 1.55 0.00 0.00 175.35 175.17 1wgs s ILE 96 N 0.49 2.00 -0.04 5.43 2.07 -1.26 -5.06 121.20 124.82 1wgs s ILE 96 Ca 0.30 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.25 1wgs s ILE 96 Cb 0.00 -2.19 0.09 0.00 0.13 0.00 0.00 42.46 40.50 1wgs s ILE 96 CO -0.13 -0.00 0.81 0.28 -1.91 0.00 0.00 174.94 173.99 1wgs s THR 97 N -2.61 0.00 -0.10 4.00 -1.32 -1.26 -5.18 115.64 109.16 1wgs s THR 97 Ca 0.68 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.83 1wgs s THR 97 Cb -0.23 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.90 1wgs s THR 97 CO 0.63 0.00 1.36 0.00 -2.21 0.00 0.00 174.62 174.40 1wgs s ARG 98 N -1.93 0.18 0.00 7.08 1.70 -1.26 -5.19 118.95 119.52 1wgs s ARG 98 Ca -0.03 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 1wgs s ARG 98 Cb -0.00 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1wgs s ARG 98 CO 0.00 -0.08 0.00 0.27 -1.08 0.00 0.00 175.30 174.41 1wgs n ASN 99 N -0.39 0.00 -3.74 -2.89 0.23 -1.26 -5.19 115.26 102.02 1wgs n ASN 99 Ca -0.06 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 53.94 1wgs n ASN 99 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.31 1wgs n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wgs s GLN 100 N -2.00 1.46 0.17 -3.83 -2.07 -1.26 -5.19 119.66 106.94 1wgs s GLN 100 Ca 0.00 -0.82 -0.25 0.00 -1.82 0.00 0.00 55.36 52.47 1wgs s GLN 100 Cb 0.00 0.49 0.06 0.00 -1.09 0.00 0.00 33.01 32.47 1wgs s GLN 100 CO 0.00 -0.67 0.94 0.21 -1.32 0.00 0.00 175.29 174.45 1wgs s LYS 101 N -3.43 1.26 0.05 9.60 2.36 -1.26 -5.19 119.74 123.14 1wgs s LYS 101 Ca 0.12 -0.70 -0.28 0.00 -2.55 0.00 0.00 55.97 52.57 1wgs s LYS 101 Cb -0.03 0.43 0.10 0.00 -1.05 0.00 0.00 37.83 37.27 1wgs s LYS 101 CO 0.05 -0.58 1.18 -0.98 1.55 0.00 0.00 175.35 176.56 1wgs s ARG 102 N -3.35 0.72 0.27 4.03 1.70 -1.26 -5.19 118.95 115.87 1wgs s ARG 102 Ca 0.12 -0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 54.76 1wgs s ARG 102 Cb -0.02 0.23 0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1wgs s ARG 102 CO 0.03 -0.33 0.87 0.21 -1.08 0.00 0.00 175.30 175.00 1wgs s LYS 103 N -2.52 1.70 -0.03 3.89 2.36 -1.26 -5.19 119.74 118.69 1wgs s LYS 103 Ca 0.17 -1.03 -0.30 0.00 -2.55 0.00 0.00 55.97 52.26 1wgs s LYS 103 Cb 0.02 0.52 0.11 0.00 -1.05 0.00 0.00 37.83 37.42 1wgs s LYS 103 CO -0.01 -0.79 0.98 -1.58 1.55 0.00 0.00 175.35 175.51 1wgs s HIS 104 N -2.87 -0.26 -0.29 4.03 2.46 -1.26 -5.17 115.29 111.93 1wgs s HIS 104 Ca 0.15 0.12 -0.18 0.00 0.47 0.00 0.00 55.06 55.63 1wgs s HIS 104 Cb -0.04 0.55 0.18 0.00 -0.13 0.00 0.00 32.58 33.14 1wgs s HIS 104 CO 0.07 -0.49 1.19 0.34 -2.47 0.00 0.00 174.74 173.37 1wgs s ASP 105 N -2.50 -0.22 -0.01 9.88 2.15 -1.26 -5.17 116.67 119.54 1wgs s ASP 105 Ca 0.07 0.36 0.05 0.00 0.43 0.00 0.00 52.55 53.47 1wgs s ASP 105 Cb -0.01 0.94 -0.01 0.00 -0.30 0.00 0.00 42.92 43.54 1wgs s ASP 105 CO -0.07 -0.06 -0.18 -0.70 -0.17 0.00 0.00 175.17 174.00 1wgs s GLU 106 N 0.94 1.44 0.90 4.34 2.56 -1.26 -5.14 118.70 122.49 1wgs s GLU 106 Ca -0.06 -0.63 -0.13 0.00 0.00 0.00 0.00 54.97 54.15 1wgs s GLU 106 Cb -0.03 -1.39 0.14 0.00 2.00 0.00 0.00 34.13 34.84 1wgs s GLU 106 CO -0.12 0.38 1.16 0.96 -0.56 0.00 0.00 175.26 177.08 1wgs s ILE 107 N -0.40 1.98 -0.04 -3.70 -5.25 -1.26 -5.09 121.20 107.44 1wgs s ILE 107 Ca 0.07 0.00 -0.30 0.00 -0.99 0.00 0.00 60.65 59.42 1wgs s ILE 107 Cb -0.07 -2.82 0.07 0.00 2.95 0.00 0.00 42.46 42.59 1wgs s ILE 107 CO -0.01 0.00 0.68 0.54 -1.79 0.00 0.00 174.94 174.36 1wgs s ASN 108 N -4.22 -0.65 -0.22 4.36 2.20 -1.26 -5.18 114.94 109.97 1wgs s ASN 108 Ca 0.64 0.67 -0.31 0.00 -0.94 0.00 0.00 52.86 52.92 1wgs s ASN 108 Cb -0.13 0.54 0.16 0.00 -2.00 0.00 0.00 41.25 39.82 1wgs s ASN 108 CO 0.52 -0.63 1.19 -2.28 -2.94 0.00 0.00 177.10 172.96 1wgs s HIS 109 N -1.36 -0.18 -0.14 1.54 2.46 -1.26 -5.18 115.29 111.18 1wgs s HIS 109 Ca -0.10 0.26 -0.22 0.00 0.47 0.00 0.00 55.06 55.47 1wgs s HIS 109 Cb -0.00 0.48 0.05 0.00 -0.13 0.00 0.00 32.58 32.99 1wgs s HIS 109 CO 0.08 -0.19 0.56 0.54 -2.47 0.00 0.00 174.74 173.27 1wgs s VAL 110 N -1.39 0.01 0.50 0.89 0.11 -1.26 -5.18 120.40 114.08 1wgs s VAL 110 Ca 0.05 -0.08 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1wgs s VAL 110 Cb -0.01 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1wgs s VAL 110 CO -0.04 -0.04 0.06 0.00 -3.33 0.00 0.00 175.10 171.74 1wgs s GLN 111 N -0.39 2.18 -0.21 1.54 0.00 -1.26 -5.16 119.66 116.36 1wgs s GLN 111 Ca -0.05 -2.30 -0.32 0.00 -0.00 0.00 0.00 55.36 52.68 1wgs s GLN 111 Cb -0.03 -1.63 0.15 0.00 0.00 0.00 0.00 33.01 31.50 1wgs s GLN 111 CO 0.04 -0.34 1.20 0.21 0.00 0.00 0.00 175.29 176.40 1wgs s LYS 112 N -3.91 0.31 0.00 9.60 2.36 -1.26 -5.19 119.74 121.65 1wgs s LYS 112 Ca 0.14 -0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.54 1wgs s LYS 112 Cb 0.02 0.14 0.00 0.00 -1.05 0.00 0.00 37.83 36.95 1wgs s LYS 112 CO 0.08 -0.11 0.00 -2.37 1.55 0.00 0.00 175.35 174.49 1wgs n THR 113 N 0.29 0.00 -3.74 3.43 5.66 -1.26 -5.19 114.28 113.47 1wgs n THR 113 Ca -0.02 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1wgs n THR 113 Cb 0.58 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.36 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1wgs s TYR 114 N -5.55 -0.04 0.28 1.09 -0.85 -1.26 -5.19 117.35 105.82 1wgs s TYR 114 Ca 0.00 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.41 1wgs s TYR 114 Cb 0.00 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 1wgs s TYR 114 CO 0.00 -0.53 0.24 0.00 -1.52 0.00 0.00 175.55 173.74 1wgs s ALA 115 N -2.60 1.44 -0.02 9.51 0.00 -1.26 -5.17 121.76 123.66 1wgs s ALA 115 Ca 0.16 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1wgs s ALA 115 Cb 0.01 1.41 0.01 0.00 0.00 0.00 0.00 23.12 24.56 1wgs s ALA 115 CO -0.00 -0.65 -0.02 -1.21 0.00 0.00 0.00 175.76 173.88 1wgs s GLU 116 N -3.73 0.38 0.38 0.00 2.02 -1.26 -5.16 118.70 111.34 1wgs s GLU 116 Ca 0.39 -0.03 0.08 0.00 0.02 0.00 0.00 54.97 55.42 1wgs s GLU 116 Cb 0.04 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.78 1wgs s GLU 116 CO 0.20 -0.04 0.27 -1.64 0.02 0.00 0.00 175.26 174.07 1wgs s MET 117 N 0.56 2.47 0.37 1.61 -1.94 -1.26 -5.11 119.30 116.00 1wgs s MET 117 Ca -0.06 -1.56 -0.24 0.00 -1.71 0.00 0.00 55.69 52.12 1wgs s MET 117 Cb -0.09 -2.27 -0.10 0.00 2.01 0.00 0.00 34.83 34.39 1wgs s MET 117 CO -0.01 -0.05 0.98 0.34 -0.01 0.00 0.00 175.02 176.27 1wgs s ASP 118 N -3.99 7.04 -0.07 3.03 2.15 -1.26 -4.99 116.67 118.57 1wgs s ASP 118 Ca 0.43 1.87 -0.20 0.00 0.43 0.00 0.00 52.55 55.08 1wgs s ASP 118 Cb -0.02 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 1wgs s ASP 118 CO 0.25 -0.29 0.77 1.55 -0.17 0.00 0.00 175.17 177.28 1wgs h PRO 119 N 2.64 -0.13 -1.58 4.34 0.13 -2.08 -3.49 132.00 131.83 1wgs h PRO 119 Ca -0.48 0.01 0.25 0.00 -0.87 0.00 0.00 66.00 64.91 1wgs h PRO 119 Cb 1.20 0.03 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 1wgs h PRO 119 CO 0.63 0.38 0.77 -0.08 -0.23 0.00 0.00 178.00 179.47 1wgs s THR 120 N -2.99 0.00 -0.17 1.56 -1.32 -1.26 -5.16 115.64 106.30 1wgs s THR 120 Ca -0.13 -0.06 -0.05 0.00 -1.21 0.00 0.00 61.69 60.24 1wgs s THR 120 Cb -0.00 -1.22 0.08 0.00 -1.51 0.00 0.00 72.50 69.85 1wgs s THR 120 CO 0.47 0.00 0.31 0.42 -2.21 0.00 0.00 174.62 173.61 1wgs s THR 121 N -2.52 -0.48 -0.23 5.08 -4.23 -1.26 -5.14 115.64 106.86 1wgs s THR 121 Ca 0.10 0.15 -0.36 0.00 -1.18 0.00 0.00 61.69 60.40 1wgs s THR 121 Cb 0.00 -0.58 0.15 0.00 1.34 0.00 0.00 72.50 73.41 1wgs s THR 121 CO -0.05 0.02 1.28 0.00 -0.54 0.00 0.00 174.62 175.34 1wgs s ALA 122 N 2.47 -2.12 0.31 3.99 0.00 -1.26 -5.19 121.76 119.95 1wgs s ALA 122 Ca 0.03 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1wgs s ALA 122 Cb -0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1wgs s ALA 122 CO -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.11 1wgs n ALA 123 N 0.00 0.26 -2.00 0.00 0.00 -1.26 -5.15 120.51 112.36 1wgs n ALA 123 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1wgs n ALA 123 Cb 0.57 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.77 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 -3.85 0.00 -0.00 -1.26 -5.16 117.00 106.73 1wgs n LEU 124 Ca -0.13 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.92 1wgs n LEU 124 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.81 1wgs n LEU 124 CO 0.21 0.00 1.14 -0.70 -0.00 0.00 0.00 177.39 178.04 1wgs s GLU 125 N 1.97 0.22 0.40 1.47 2.12 -1.26 -5.18 118.70 118.43 1wgs s GLU 125 Ca 0.00 -0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.27 1wgs s GLU 125 Cb 0.00 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 1wgs s GLU 125 CO 0.00 -0.10 0.21 0.15 -0.54 0.00 0.00 175.26 174.98 1wgs s LYS 126 N -2.09 2.32 -0.26 4.30 1.02 -1.26 -5.13 119.74 118.65 1wgs s LYS 126 Ca 0.25 -1.71 -0.03 0.00 0.02 0.00 0.00 55.97 54.50 1wgs s LYS 126 Cb 0.02 -2.11 0.15 0.00 -0.52 0.00 0.00 37.83 35.37 1wgs s LYS 126 CO -0.03 -0.08 0.45 -2.00 -0.92 0.00 0.00 175.35 172.77 1wgs s GLU 127 N -3.94 0.42 0.38 1.68 2.12 -1.26 -5.16 118.70 112.94 1wgs s GLU 127 Ca 0.42 0.73 0.08 0.00 0.36 0.00 0.00 54.97 56.56 1wgs s GLU 127 Cb 0.01 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.27 1wgs s GLU 127 CO 0.24 -0.60 0.15 -1.54 -0.54 0.00 0.00 175.26 172.96 1wgs s SER 128 N 2.65 4.51 -0.29 -1.70 1.04 -1.26 -5.14 113.70 113.51 1wgs s SER 128 Ca 0.14 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.57 1wgs s SER 128 Cb -0.15 -0.58 0.15 0.00 0.10 0.00 0.00 66.02 65.54 1wgs s SER 128 CO -0.17 -0.41 0.60 -0.83 0.98 0.00 0.00 173.24 173.41 1wgs s GLY 129 N -3.87 -0.80 0.60 7.32 0.00 -1.26 -5.17 107.32 104.14 1wgs s GLY 129 Ca 0.39 2.03 -0.10 0.00 0.00 0.00 0.00 44.72 47.04 1wgs s GLY 129 CO 0.22 3.14 0.66 -1.55 0.00 0.00 0.00 173.10 175.57 1wgs n PRO 130 N 5.43 -1.43 -4.22 2.90 -0.04 -1.26 -5.11 135.00 131.27 1wgs n PRO 130 Ca -0.07 -1.04 -0.14 0.00 -0.04 0.00 0.00 63.50 62.22 1wgs n PRO 130 Cb 0.50 -0.82 -0.10 0.00 -0.04 0.00 0.00 33.50 33.04 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgs s SER 131 N -3.39 0.49 -0.05 3.54 0.01 -1.26 -5.10 113.70 107.95 1wgs s SER 131 Ca 0.40 -1.45 -0.09 0.00 1.31 0.00 0.00 55.95 56.12 1wgs s SER 131 Cb -0.02 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 1wgs s SER 131 CO 0.29 -0.87 -0.17 -1.20 0.41 0.00 0.00 173.24 171.70 1wgs n SER 132 N -0.50 1.46 0.00 2.44 7.64 -1.26 -5.38 113.62 118.02 1wgs n SER 132 Ca 0.03 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1wgs n SER 132 Cb 0.65 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64