#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 -8.45 -1.66 1.61 7.64 -1.26 -5.02 113.62 106.49 1wgs n SER 2 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1wgs n SER 2 Cb 0.00 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.23 1wgs n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgs n SER 3 N -4.39 -8.18 0.00 6.43 7.64 -1.26 -5.07 113.62 108.80 1wgs n SER 3 Ca -0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1wgs n SER 3 Cb 0.70 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgs n GLY 4 N 0.78 2.03 2.11 0.23 0.00 -1.26 -5.11 105.19 103.96 1wgs n GLY 4 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1wgs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgs n SER 5 N 0.00 -1.98 -4.62 1.61 2.88 -1.26 -5.08 113.62 105.17 1wgs n SER 5 Ca 0.00 0.51 -0.43 0.00 -1.33 0.00 0.00 58.87 57.63 1wgs n SER 5 Cb 0.00 2.00 -0.03 0.00 -0.75 0.00 0.00 64.21 65.43 1wgs n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgs s SER 6 N -2.94 6.00 -0.09 -3.46 0.15 -1.26 -4.94 113.70 107.17 1wgs s SER 6 Ca 0.00 1.96 -0.26 0.00 0.70 0.00 0.00 55.95 58.35 1wgs s SER 6 Cb 0.00 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1wgs s SER 6 CO 0.00 -1.51 0.83 -0.83 1.20 0.00 0.00 173.24 172.92 1wgs s GLY 7 N 5.99 2.51 0.18 9.45 0.00 -1.26 -4.98 107.32 119.21 1wgs s GLY 7 Ca 0.88 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 45.51 1wgs s GLY 7 CO 0.35 1.51 0.71 -1.84 0.00 0.00 0.00 173.10 173.83 1wgs n GLU 8 N 4.36 0.26 -2.41 2.90 0.28 -1.26 -4.82 120.64 119.93 1wgs n GLU 8 Ca 0.03 0.09 -0.43 0.00 -0.16 0.00 0.00 57.16 56.69 1wgs n GLU 8 Cb 0.50 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 32.10 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 -0.87 4.24 0.12 3.44 0.04 -1.26 -4.96 135.00 135.75 1wgs s PRO 9 Ca 0.68 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 63.09 1wgs s PRO 9 Cb -0.95 -3.75 -0.10 0.00 0.04 0.00 0.00 34.50 29.75 1wgs s PRO 9 CO 0.56 -0.68 1.75 -1.83 0.04 0.00 0.00 177.00 176.84 1wgs s GLU 10 N 3.36 4.16 1.02 4.56 -1.05 -1.26 -4.95 118.70 124.53 1wgs s GLU 10 Ca 0.55 2.50 -0.18 0.00 -0.15 0.00 0.00 54.97 57.70 1wgs s GLU 10 Cb -0.22 -3.51 0.06 0.00 -0.44 0.00 0.00 34.13 30.02 1wgs s GLU 10 CO 0.16 -0.79 -0.20 1.55 0.95 0.00 0.00 175.26 176.93 1wgs n VAL 11 N 4.60 0.00 -3.91 1.83 3.14 -1.26 -5.03 118.33 117.70 1wgs n VAL 11 Ca 0.17 -0.13 -0.09 0.00 -2.96 0.00 0.00 64.34 61.34 1wgs n VAL 11 Cb 0.39 -0.40 -0.08 0.00 -1.06 0.00 0.00 33.84 32.68 1wgs n VAL 11 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1wgs s THR 12 N -2.11 0.16 0.07 1.55 -1.32 -1.26 -5.17 115.64 107.56 1wgs s THR 12 Ca 0.41 -1.29 0.08 0.00 -1.21 0.00 0.00 61.69 59.68 1wgs s THR 12 Cb -0.04 -1.33 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 1wgs s THR 12 CO 0.50 -0.71 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.32 1wgs s VAL 13 N -3.73 2.75 0.01 5.08 1.01 -1.26 -5.06 120.40 119.20 1wgs s VAL 13 Ca 0.04 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 60.75 1wgs s VAL 13 Cb 0.05 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1wgs s VAL 13 CO -0.10 0.24 -0.18 -1.61 0.00 0.00 0.00 175.10 173.46 1wgs s GLU 14 N -1.70 1.33 0.50 2.72 2.02 -1.26 -5.14 118.70 117.17 1wgs s GLU 14 Ca 0.16 -0.71 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 1wgs s GLU 14 Cb -0.10 -1.33 -0.06 0.00 0.10 0.00 0.00 34.13 32.74 1wgs s GLU 14 CO 0.07 0.35 0.89 0.42 0.02 0.00 0.00 175.26 177.01 1wgs s ILE 15 N -0.55 4.73 0.00 -1.63 -1.09 -1.26 -3.82 121.20 117.58 1wgs s ILE 15 Ca 0.06 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1wgs s ILE 15 Cb -0.07 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1wgs s ILE 15 CO 0.00 -0.79 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 1wgs n GLY 16 N -1.94 2.94 3.94 6.18 0.00 -0.82 -5.00 105.19 110.48 1wgs n GLY 16 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.19 3.09 -0.04 1.61 8.01 -1.25 -4.80 118.70 125.12 1wgs s GLU 17 Ca 0.00 -0.26 0.01 0.00 0.01 0.00 0.00 54.97 54.73 1wgs s GLU 17 Cb 0.00 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.33 1wgs s GLU 17 CO 0.00 -0.38 -0.05 0.99 0.01 0.00 0.00 175.26 175.83 1wgs s THR 18 N -2.70 3.84 0.16 3.63 2.01 -1.26 -1.02 115.64 120.29 1wgs s THR 18 Ca 0.50 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1wgs s THR 18 Cb -0.10 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1wgs s THR 18 CO 0.41 0.52 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.51 1wgs s TYR 19 N -0.90 1.19 -0.34 4.92 1.51 -0.31 -4.93 117.35 118.49 1wgs s TYR 19 Ca 0.15 -0.92 -0.26 0.00 -1.01 0.00 0.00 57.07 55.03 1wgs s TYR 19 Cb -0.11 -0.66 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1wgs s TYR 19 CO 0.04 -0.10 0.91 -0.51 -1.11 0.00 0.00 175.55 174.78 1wgs s LEU 20 N -3.16 4.02 -0.21 -1.29 2.01 -1.26 -0.58 118.68 118.22 1wgs s LEU 20 Ca 0.20 0.71 -0.09 0.00 0.01 0.00 0.00 54.13 54.96 1wgs s LEU 20 Cb 0.05 -3.26 -0.04 0.00 0.01 0.00 0.00 46.19 42.95 1wgs s LEU 20 CO 0.02 -0.78 0.10 0.00 1.01 0.00 0.00 176.35 176.70 1wgs n ARG 22 N 3.84 -1.08 -4.01 0.00 0.63 0.26 -0.28 116.66 116.02 1wgs n ARG 22 Ca -0.16 -0.28 -0.08 0.00 -0.92 0.00 0.00 57.85 56.40 1wgs n ARG 22 Cb 0.52 -1.87 -0.10 0.00 0.45 0.00 0.00 32.46 31.46 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 -3.73 0.49 -0.66 -0.14 1.81 0.36 -4.64 118.95 112.45 1wgs s ARG 23 Ca 0.59 -0.86 -0.06 0.00 -1.72 0.00 0.00 55.73 53.67 1wgs s ARG 23 Cb -0.18 0.18 -0.13 0.00 -0.45 0.00 0.00 34.95 34.37 1wgs s ARG 23 CO 0.66 -0.10 2.65 -0.35 -0.68 0.00 0.00 175.30 177.48 1wgs n PRO 24 N 0.86 2.19 -1.09 3.54 -0.04 -1.26 -2.87 135.00 136.32 1wgs n PRO 24 Ca -0.19 -1.30 -0.04 0.00 -0.04 0.00 0.00 63.50 61.93 1wgs n PRO 24 Cb 0.58 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.66 -3.98 3.54 2.03 -1.26 -4.99 116.55 114.56 1wgs n ASP 25 Ca 0.47 -1.32 -0.27 0.00 0.52 0.00 0.00 54.79 54.19 1wgs n ASP 25 Cb 0.41 0.23 -0.01 0.00 -0.72 0.00 0.00 41.12 41.03 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wgs n SER 26 N -0.20 -1.34 -3.84 1.67 7.64 -1.14 -4.95 113.62 111.47 1wgs n SER 26 Ca -0.16 -0.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.61 1wgs n SER 26 Cb 0.56 -3.17 -0.08 0.00 -1.01 0.00 0.00 64.21 60.51 1wgs n SER 26 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wgs s THR 27 N -3.75 0.00 -0.03 0.44 -4.23 -1.25 -5.02 115.64 101.80 1wgs s THR 27 Ca 0.20 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1wgs s THR 27 Cb -0.11 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1wgs s THR 27 CO 0.88 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 175.10 1wgs s TRP 28 N -3.82 1.24 0.03 3.99 0.52 -1.26 -0.49 118.94 119.15 1wgs s TRP 28 Ca 0.37 -0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.21 1wgs s TRP 28 Cb 0.04 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 1wgs s TRP 28 CO 0.17 -0.14 -0.20 -1.01 0.02 0.00 0.00 176.95 175.79 1wgs s HIS 29 N 0.20 1.78 0.32 -1.98 3.76 0.61 -4.89 115.29 115.09 1wgs s HIS 29 Ca -0.04 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.21 1wgs s HIS 29 Cb -0.10 -1.09 -0.10 0.00 1.11 0.00 0.00 32.58 32.40 1wgs s HIS 29 CO 0.01 0.06 1.24 -1.54 -0.85 0.00 0.00 174.74 173.66 1wgs s SER 30 N -0.98 6.92 -0.17 1.40 1.04 -1.26 0.89 113.70 121.54 1wgs s SER 30 Ca 0.07 2.56 -0.08 0.00 0.48 0.00 0.00 55.95 58.98 1wgs s SER 30 Cb -0.08 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.46 1wgs s SER 30 CO 0.01 -0.42 0.39 0.00 0.98 0.00 0.00 173.24 174.20 1wgs s ALA 31 N -1.14 -1.00 0.11 5.32 0.00 0.26 -3.83 121.76 121.47 1wgs s ALA 31 Ca 0.48 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 1wgs s ALA 31 Cb -0.37 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 1wgs s ALA 31 CO 0.49 -0.39 1.02 -1.83 0.00 0.00 0.00 175.76 175.05 1wgs s GLU 32 N 1.71 4.63 -0.56 0.00 -1.05 0.81 -1.17 118.70 123.08 1wgs s GLU 32 Ca -0.07 1.53 -0.28 0.00 -0.15 0.00 0.00 54.97 56.00 1wgs s GLU 32 Cb -0.10 -3.36 0.02 0.00 -0.44 0.00 0.00 34.13 30.25 1wgs s GLU 32 CO -0.12 0.10 1.27 0.08 0.95 0.00 0.00 175.26 177.54 1wgs s VAL 33 N 0.19 3.95 -0.02 1.83 1.01 -0.19 0.14 120.40 127.32 1wgs s VAL 33 Ca 0.49 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 63.13 1wgs s VAL 33 Cb -0.25 -4.61 -0.11 0.00 0.00 0.00 0.00 36.38 31.41 1wgs s VAL 33 CO 0.31 -1.24 0.84 0.40 0.00 0.00 0.00 175.10 175.41 1wgs h ILE 34 N 6.24 0.05 -2.73 2.22 1.08 0.16 -2.19 117.51 122.35 1wgs h ILE 34 Ca -0.26 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 63.63 1wgs h ILE 34 Cb 1.07 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 1wgs h ILE 34 CO 1.18 0.01 0.01 0.00 -0.69 0.00 0.00 178.15 178.66 1wgs n GLN 35 N -5.24 0.40 -4.23 2.37 1.13 -1.18 -4.60 117.38 106.04 1wgs n GLN 35 Ca -0.09 -1.17 -0.14 0.00 -1.94 0.00 0.00 57.00 53.65 1wgs n GLN 35 Cb 0.28 1.25 -0.10 0.00 0.11 0.00 0.00 30.24 31.78 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 -1.97 1.71 0.32 1.08 1.04 -1.26 -1.02 113.70 113.59 1wgs s SER 36 Ca 0.11 -0.96 -0.18 0.00 0.48 0.00 0.00 55.95 55.39 1wgs s SER 36 Cb -0.01 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1wgs s SER 36 CO 0.08 -0.31 0.73 0.00 0.98 0.00 0.00 173.24 174.71 1wgs s ARG 37 N -3.50 1.94 -0.00 4.02 1.70 -1.05 -4.95 118.95 117.12 1wgs s ARG 37 Ca 0.14 -1.18 0.04 0.00 -0.47 0.00 0.00 55.73 54.26 1wgs s ARG 37 Cb 0.01 0.61 -0.01 0.00 -0.57 0.00 0.00 34.95 34.98 1wgs s ARG 37 CO 0.00 -0.89 -0.14 0.08 -1.08 0.00 0.00 175.30 173.28 1wgs s VAL 38 N -3.33 1.07 -0.29 4.99 1.01 -1.26 -1.91 120.40 120.67 1wgs s VAL 38 Ca 0.14 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1wgs s VAL 38 Cb -0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1wgs s VAL 38 CO 0.09 0.25 0.13 0.20 0.00 0.00 0.00 175.10 175.77 1wgs s ASN 39 N -0.46 5.49 -0.15 3.32 -0.87 0.12 -4.96 114.94 117.43 1wgs s ASN 39 Ca 0.05 -0.33 -0.27 0.00 -1.57 0.00 0.00 52.86 50.74 1wgs s ASN 39 Cb -0.06 -2.00 -0.25 0.00 -0.02 0.00 0.00 41.25 38.93 1wgs s ASN 39 CO -0.00 -0.12 0.66 -0.78 -2.57 0.00 0.00 177.10 174.29 1wgs h ASP 40 N 8.32 0.04 -0.46 -1.22 3.58 -1.95 0.50 116.42 125.23 1wgs h ASP 40 Ca -0.35 -0.90 0.08 0.00 0.42 0.00 0.00 57.03 56.29 1wgs h ASP 40 Cb 1.16 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 42.10 1wgs h ASP 40 CO 0.59 1.14 -0.36 1.56 -2.88 0.00 0.00 179.24 179.29 1wgs h GLN 41 N -0.94 -0.24 0.20 0.28 1.08 -1.97 -2.51 115.11 111.01 1wgs h GLN 41 Ca -0.09 0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 56.83 1wgs h GLN 41 Cb 1.12 0.05 0.03 0.00 -0.05 0.00 0.00 27.48 28.63 1wgs h GLN 41 CO -0.03 -0.16 -1.35 0.93 -0.95 0.00 0.00 178.83 177.27 1wgs h GLU 42 N -0.25 0.43 -1.38 1.46 4.39 -2.00 -3.49 114.58 113.74 1wgs h GLU 42 Ca 0.18 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1wgs h GLU 42 Cb 0.56 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1wgs h GLU 42 CO -0.59 1.35 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 1wgs n GLY 43 N 1.73 0.55 3.36 -3.84 0.00 0.16 -5.09 105.19 102.07 1wgs n GLY 43 Ca -0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.25 1.18 0.20 1.61 0.52 -0.43 -4.97 118.95 114.81 1wgs s ARG 44 Ca 0.00 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1wgs s ARG 44 Cb 0.00 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.81 1wgs s ARG 44 CO 0.00 -0.44 0.44 -1.21 0.02 0.00 0.00 175.30 174.10 1wgs s GLU 45 N -3.96 3.60 0.22 3.54 2.02 -1.26 0.13 118.70 122.99 1wgs s GLU 45 Ca 0.16 -0.13 -0.05 0.00 0.02 0.00 0.00 54.97 54.98 1wgs s GLU 45 Cb 0.03 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 1wgs s GLU 45 CO -0.00 0.37 0.24 -1.21 0.02 0.00 0.00 175.26 174.68 1wgs s GLU 46 N -3.12 1.32 -0.18 1.61 2.02 -0.80 -4.48 118.70 115.07 1wgs s GLU 46 Ca 0.41 -1.52 -0.07 0.00 0.02 0.00 0.00 54.97 53.81 1wgs s GLU 46 Cb -0.11 0.33 0.08 0.00 0.10 0.00 0.00 34.13 34.53 1wgs s GLU 46 CO 0.27 -0.47 0.40 -0.06 0.02 0.00 0.00 175.26 175.42 1wgs s PHE 47 N -4.10 -0.69 -0.82 1.61 0.08 -0.48 -2.52 117.98 111.05 1wgs s PHE 47 Ca 0.34 1.38 -0.25 0.00 0.12 0.00 0.00 56.93 58.52 1wgs s PHE 47 Cb 0.05 0.25 -0.00 0.00 -0.57 0.00 0.00 43.02 42.75 1wgs s PHE 47 CO 0.11 -0.42 1.66 -0.47 -0.10 0.00 0.00 175.22 176.00 1wgs s TYR 48 N 2.19 2.05 0.04 0.36 5.04 -0.19 -1.41 117.35 125.43 1wgs s TYR 48 Ca -0.04 0.16 -0.07 0.00 -2.44 0.00 0.00 57.07 54.68 1wgs s TYR 48 Cb -0.11 -4.34 -0.05 0.00 0.35 0.00 0.00 41.96 37.81 1wgs s TYR 48 CO -0.12 -2.01 0.31 0.14 -1.34 0.00 0.00 175.55 172.53 1wgs s VAL 49 N 7.65 5.23 -0.19 3.14 -7.23 -1.19 0.18 120.40 128.00 1wgs s VAL 49 Ca 0.56 0.21 -0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1wgs s VAL 49 Cb -0.07 -3.60 -0.00 0.00 0.56 0.00 0.00 36.38 33.27 1wgs s VAL 49 CO 0.06 0.30 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.78 1wgs s HIS 50 N -1.37 2.90 -1.16 2.82 2.46 0.38 -3.53 115.29 117.79 1wgs s HIS 50 Ca 0.31 -1.01 -0.21 0.00 0.47 0.00 0.00 55.06 54.61 1wgs s HIS 50 Cb -0.13 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.30 1wgs s HIS 50 CO 0.18 -0.53 1.78 0.71 -2.47 0.00 0.00 174.74 174.41 1wgs s TYR 51 N 1.21 2.35 -0.62 3.88 2.02 -1.26 -0.14 117.35 124.80 1wgs s TYR 51 Ca 0.02 -0.55 -0.40 0.00 -0.37 0.00 0.00 57.07 55.78 1wgs s TYR 51 Cb -0.14 -4.42 -0.19 0.00 -0.40 0.00 0.00 41.96 36.81 1wgs s TYR 51 CO -0.03 -1.63 2.29 1.33 -1.57 0.00 0.00 175.55 175.93 1wgs n VAL 52 N 7.11 0.01 0.00 0.71 0.24 -1.25 0.67 118.33 125.83 1wgs n VAL 52 Ca 0.44 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1wgs n VAL 52 Cb 0.47 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 7.15 3.67 3.78 7.63 0.00 -1.26 -5.00 105.19 121.16 1wgs n GLY 53 Ca 0.57 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1wgs n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgs s PHE 54 N 0.00 2.69 1.03 1.61 0.08 0.21 -4.99 117.98 118.60 1wgs s PHE 54 Ca 0.00 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.46 1wgs s PHE 54 Cb 0.00 -3.13 0.14 0.00 -0.57 0.00 0.00 43.02 39.46 1wgs s PHE 54 CO 0.00 -1.60 0.66 0.09 -0.10 0.00 0.00 175.22 174.27 1wgs n ASN 55 N -2.48 -1.42 0.21 1.36 4.13 -1.26 -4.85 115.26 110.95 1wgs n ASN 55 Ca 0.10 0.15 0.15 0.00 1.68 0.00 0.00 54.58 56.66 1wgs n ASN 55 Cb 0.52 -1.24 0.62 0.00 -1.54 0.00 0.00 39.78 38.14 1wgs n ASN 55 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1wgs h ARG 56 N -2.01 0.00 0.00 3.52 2.43 -1.98 -2.41 114.38 113.93 1wgs h ARG 56 Ca -0.49 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1wgs h ARG 56 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1wgs h ARG 56 CO 0.40 0.00 -0.10 0.07 -1.51 0.00 0.00 179.97 178.83 1wgs h ARG 57 N 0.00 0.00 0.00 0.20 -0.00 -2.03 -3.35 114.38 109.19 1wgs h ARG 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1wgs h ARG 57 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.39 1wgs h ARG 57 CO 0.00 0.10 0.00 1.28 -0.00 0.00 0.00 179.97 181.35 1wgs n LEU 58 N -3.88 0.00 -3.15 0.08 7.99 -0.91 -4.89 117.00 112.24 1wgs n LEU 58 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.96 1wgs n LEU 58 Cb 0.19 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1wgs n LEU 58 CO 0.31 0.00 -0.48 0.47 -1.51 0.00 0.00 177.39 176.18 1wgs n ASP 59 N 0.00 -6.36 -4.03 -1.43 8.00 -1.26 -4.98 116.55 106.49 1wgs n ASP 59 Ca 0.00 0.36 -0.16 0.00 0.71 0.00 0.00 54.79 55.70 1wgs n ASP 59 Cb 0.00 -1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 39.43 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 -1.06 0.59 0.81 -1.24 -1.05 -1.23 -5.02 118.70 110.50 1wgs s GLU 60 Ca 0.02 -0.48 -0.11 0.00 -0.15 0.00 0.00 54.97 54.25 1wgs s GLU 60 Cb -0.00 -0.51 0.08 0.00 -0.44 0.00 0.00 34.13 33.26 1wgs s GLU 60 CO 0.05 0.13 1.10 -1.58 0.95 0.00 0.00 175.26 175.90 1wgs s TRP 61 N -0.65 2.42 0.25 4.83 0.52 -1.26 -3.15 118.94 121.90 1wgs s TRP 61 Ca -0.02 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.59 1wgs s TRP 61 Cb -0.06 -3.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1wgs s TRP 61 CO 0.00 -2.03 0.29 0.14 0.02 0.00 0.00 176.95 175.37 1wgs s VAL 62 N -2.88 0.00 0.12 4.03 -7.23 -0.50 -4.89 120.40 109.05 1wgs s VAL 62 Ca 0.62 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 1wgs s VAL 62 Cb -0.18 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1wgs s VAL 62 CO 0.56 0.00 -0.00 -1.81 -0.31 0.00 0.00 175.10 173.54 1wgs s ASP 63 N -3.16 4.92 0.61 4.85 1.01 -1.26 -1.38 116.67 122.26 1wgs s ASP 63 Ca 0.34 -0.26 0.28 0.00 0.71 0.00 0.00 52.55 53.62 1wgs s ASP 63 Cb 0.03 -1.12 1.38 0.00 1.01 0.00 0.00 42.92 44.22 1wgs s ASP 63 CO 0.14 0.14 1.79 0.11 0.21 0.00 0.00 175.17 177.56 1wgs h LYS 64 N 3.16 0.00 0.01 8.23 1.57 -1.93 0.68 116.57 128.29 1wgs h LYS 64 Ca -0.48 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.17 1wgs h LYS 64 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.50 1wgs h LYS 64 CO 0.59 0.00 -0.55 -0.97 -0.57 0.00 0.00 179.45 177.95 1wgs h ASN 65 N 0.00 0.46 0.08 0.86 -1.24 -1.95 -3.12 115.58 110.67 1wgs h ASN 65 Ca 0.21 -0.79 -0.00 0.00 0.71 0.00 0.00 56.30 56.43 1wgs h ASN 65 Cb 1.36 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.26 1wgs h ASN 65 CO -0.00 1.19 -0.02 0.03 -1.29 0.00 0.00 177.43 177.34 1wgs h ARG 66 N -0.22 0.00 -7.04 6.67 3.08 -0.07 -3.42 114.38 113.39 1wgs h ARG 66 Ca -0.07 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.53 1wgs h ARG 66 Cb 1.29 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.40 1wgs h ARG 66 CO 0.11 0.02 0.07 -0.51 -1.07 0.00 0.00 179.97 178.59 1wgs s LEU 67 N -7.10 3.07 -0.41 3.04 1.43 -0.50 -0.57 118.68 117.65 1wgs s LEU 67 Ca -0.04 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1wgs s LEU 67 Cb 0.14 -2.63 0.07 0.00 0.03 0.00 0.00 46.19 43.80 1wgs s LEU 67 CO 0.51 -1.50 0.24 0.00 0.23 0.00 0.00 176.35 175.83 1wgs s ALA 68 N -3.00 3.26 -0.42 4.21 0.00 -0.69 -4.89 121.76 120.23 1wgs s ALA 68 Ca 0.61 -2.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 1wgs s ALA 68 Cb -0.09 -2.59 0.11 0.00 0.00 0.00 0.00 23.12 20.55 1wgs s ALA 68 CO 0.42 -1.60 0.21 -0.51 0.00 0.00 0.00 175.76 174.28 1wgs s LEU 69 N 1.42 5.20 0.42 0.00 1.43 -1.26 -4.70 118.68 121.19 1wgs s LEU 69 Ca 0.03 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.01 1wgs s LEU 69 Cb -0.22 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wgs s LEU 69 CO 0.02 -0.51 0.00 0.41 0.23 0.00 0.00 176.35 176.50 1wgs n THR 70 N 4.47 -1.79 -0.44 5.49 -1.04 -1.26 -3.28 114.28 116.43 1wgs n THR 70 Ca -0.01 0.96 0.40 0.00 -2.04 0.00 0.00 64.05 63.36 1wgs n THR 70 Cb 0.41 -1.58 0.76 0.00 -1.82 0.00 0.00 70.33 68.10 1wgs n THR 70 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wgs h LYS 71 N -0.10 0.02 -0.83 -2.82 6.56 -1.94 0.13 116.57 117.59 1wgs h LYS 71 Ca -0.03 -0.00 0.15 0.00 -1.06 0.00 0.00 60.65 59.71 1wgs h LYS 71 Cb 0.74 -0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.25 1wgs h LYS 71 CO 0.01 0.01 -0.31 1.15 -2.06 0.00 0.00 179.45 178.26 1wgs h THR 72 N 0.02 0.10 0.28 -0.16 2.02 -2.02 -2.42 112.91 110.74 1wgs h THR 72 Ca 0.69 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.85 1wgs h THR 72 Cb 2.69 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1wgs h THR 72 CO -0.04 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 176.30 1wgs h VAL 73 N -0.05 0.00 -1.04 3.16 2.07 -0.72 -3.45 116.25 116.22 1wgs h VAL 73 Ca 0.34 -0.57 -0.75 0.00 0.82 0.00 0.00 66.70 66.54 1wgs h VAL 73 Cb 0.60 0.00 0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1wgs h VAL 73 CO -0.86 0.00 -0.09 0.29 0.02 0.00 0.00 177.57 176.93 1wgs n LYS 74 N -4.58 0.06 -3.35 1.57 5.02 -0.91 -4.93 118.16 111.03 1wgs n LYS 74 Ca -0.05 0.02 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 1wgs n LYS 74 Cb 0.15 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1wgs n LYS 74 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1wgs s ASP 75 N -0.27 0.98 0.00 4.39 -1.08 -1.26 -4.84 116.67 114.60 1wgs s ASP 75 Ca 0.83 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1wgs s ASP 75 Cb -1.16 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 1wgs s ASP 75 CO 0.56 -0.30 0.00 0.00 0.52 0.00 0.00 175.17 175.96 1wgs n ALA 76 N 4.66 0.00 -4.27 3.66 0.00 -1.26 -5.02 120.51 118.29 1wgs n ALA 76 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 1wgs n ALA 76 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 1wgs n ALA 76 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wgs n VAL 77 N 0.00 -1.31 0.06 0.00 3.14 -1.26 -4.79 118.33 114.18 1wgs n VAL 77 Ca 0.00 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.97 1wgs n VAL 77 Cb 0.00 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1wgs n VAL 77 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1wgs n GLN 78 N -4.48 0.00 -3.58 1.45 -0.06 -1.26 -5.00 117.38 104.45 1wgs n GLN 78 Ca -0.25 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.46 1wgs n GLN 78 Cb 0.66 -0.39 -0.13 0.00 -4.06 0.00 0.00 30.24 26.32 1wgs n GLN 78 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1wgs s LYS 79 N -2.00 0.75 -0.26 3.69 1.02 -1.26 -5.06 119.74 116.61 1wgs s LYS 79 Ca 0.00 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 54.56 1wgs s LYS 79 Cb 0.00 -1.69 0.10 0.00 -0.52 0.00 0.00 37.83 35.72 1wgs s LYS 79 CO 0.00 -1.14 0.15 1.21 -0.92 0.00 0.00 175.35 174.65 1wgs s ASN 80 N 1.06 2.96 0.38 2.83 3.84 -1.26 -4.94 114.94 119.81 1wgs s ASN 80 Ca 0.16 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.19 1wgs s ASN 80 Cb -0.22 -0.19 0.00 0.00 -0.55 0.00 0.00 41.25 40.29 1wgs s ASN 80 CO -0.07 -0.41 0.00 -0.24 -2.79 0.00 0.00 177.10 173.59 1wgs n SER 81 N 5.27 -3.04 -3.04 -4.21 2.88 -1.26 -5.11 113.62 105.10 1wgs n SER 81 Ca -0.06 0.72 -0.03 0.00 -1.33 0.00 0.00 58.87 58.18 1wgs n SER 81 Cb 0.44 2.91 0.00 0.00 -0.75 0.00 0.00 64.21 66.82 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 -3.33 -1.57 0.20 -1.46 1.02 -1.26 -4.93 120.64 109.31 1wgs n GLU 82 Ca 0.00 1.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.70 1wgs n GLU 82 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.68 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 0.93 0.00 -4.56 3.49 4.81 -1.26 -5.15 118.16 116.41 1wgs n LYS 83 Ca -0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1wgs n LYS 83 Cb 0.34 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.29 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1wgs s TYR 84 N -1.91 2.51 0.00 5.64 6.14 -1.26 -5.05 117.35 123.41 1wgs s TYR 84 Ca 0.00 -0.67 -0.00 0.00 0.64 0.00 0.00 57.07 57.04 1wgs s TYR 84 Cb 0.00 -1.80 -0.00 0.00 0.42 0.00 0.00 41.96 40.58 1wgs s TYR 84 CO 0.00 0.41 0.95 1.28 0.64 0.00 0.00 175.55 178.83 1wgs n LEU 85 N -1.01 -0.01 0.00 6.97 4.77 -1.26 -4.90 117.00 121.55 1wgs n LEU 85 Ca -0.05 0.95 0.01 0.00 -0.03 0.00 0.00 56.01 56.89 1wgs n LEU 85 Cb 0.67 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1wgs n LEU 85 CO 0.48 -0.48 0.40 -1.54 -1.33 0.00 0.00 177.39 174.92 1wgs n SER 86 N -2.97 -0.52 -3.50 -1.43 3.41 -1.26 -5.07 113.62 102.28 1wgs n SER 86 Ca 0.00 -1.16 -0.16 0.00 -0.26 0.00 0.00 58.87 57.29 1wgs n SER 86 Cb 0.00 0.81 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1wgs n SER 86 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1wgs s GLU 87 N -2.01 1.08 0.28 4.33 -1.05 -1.26 -5.18 118.70 114.89 1wgs s GLU 87 Ca 0.11 0.10 0.02 0.00 -0.15 0.00 0.00 54.97 55.05 1wgs s GLU 87 Cb -0.00 0.51 0.05 0.00 -0.44 0.00 0.00 34.13 34.24 1wgs s GLU 87 CO 0.00 -0.37 0.38 1.47 0.95 0.00 0.00 175.26 177.70 1wgs n LEU 88 N 0.63 0.00 -3.86 1.83 -0.00 -1.26 -5.13 117.00 109.21 1wgs n LEU 88 Ca -0.18 -0.97 -0.01 0.00 -0.00 0.00 0.00 56.01 54.85 1wgs n LEU 88 Cb 0.59 -0.23 0.01 0.00 -0.00 0.00 0.00 43.42 43.79 1wgs n LEU 88 CO 0.21 -0.65 0.93 0.00 -0.00 0.00 0.00 177.39 177.88 1wgs s ALA 89 N -2.64 -1.97 -1.12 1.47 0.00 -1.26 -5.08 121.76 111.16 1wgs s ALA 89 Ca 0.27 -0.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.02 1wgs s ALA 89 Cb -0.02 0.73 0.10 0.00 0.00 0.00 0.00 23.12 23.93 1wgs s ALA 89 CO 0.18 -1.09 1.46 -2.00 0.00 0.00 0.00 175.76 174.31 1wgs s GLU 90 N -2.27 3.81 0.72 0.00 2.56 -1.26 -4.99 118.70 117.27 1wgs s GLU 90 Ca 0.22 -1.82 -0.09 0.00 0.00 0.00 0.00 54.97 53.28 1wgs s GLU 90 Cb -0.01 -5.25 0.05 0.00 2.00 0.00 0.00 34.13 30.92 1wgs s GLU 90 CO 0.02 -2.04 1.05 -0.65 -0.56 0.00 0.00 175.26 173.09 1wgs s GLN 91 N 3.54 2.34 0.53 4.30 -0.21 -1.26 -5.05 119.66 123.85 1wgs s GLN 91 Ca 0.45 -0.02 -0.18 0.00 0.02 0.00 0.00 55.36 55.63 1wgs s GLN 91 Cb -0.00 -2.11 -0.07 0.00 1.00 0.00 0.00 33.01 31.83 1wgs s GLN 91 CO -0.03 -1.22 1.04 -1.25 -2.12 0.00 0.00 175.29 171.71 1wgs s PRO 92 N -5.31 3.64 -0.06 2.91 0.04 -1.26 -5.06 135.00 129.89 1wgs s PRO 92 Ca 0.59 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.93 1wgs s PRO 92 Cb -0.11 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.37 1wgs s PRO 92 CO 0.47 -0.56 -0.10 -1.83 0.04 0.00 0.00 177.00 175.02 1wgs s GLU 93 N -3.58 1.44 -0.19 4.56 1.03 -1.26 -5.12 118.70 115.57 1wgs s GLU 93 Ca 0.66 -0.32 -0.32 0.00 0.03 0.00 0.00 54.97 55.02 1wgs s GLU 93 Cb -0.16 -1.24 0.15 0.00 -0.80 0.00 0.00 34.13 32.07 1wgs s GLU 93 CO 0.26 -0.02 1.17 -0.98 -1.33 0.00 0.00 175.26 174.37 1wgs s ARG 94 N 0.78 0.36 -0.30 -4.83 1.70 -1.26 -5.17 118.95 110.23 1wgs s ARG 94 Ca -0.13 -0.04 -0.16 0.00 -0.47 0.00 0.00 55.73 54.93 1wgs s ARG 94 Cb -0.15 0.17 0.20 0.00 -0.57 0.00 0.00 34.95 34.59 1wgs s ARG 94 CO 0.02 -0.14 1.22 0.15 -1.08 0.00 0.00 175.30 175.47 1wgs s LYS 95 N -1.86 0.10 0.00 3.89 -0.14 -1.26 -5.17 119.74 115.30 1wgs s LYS 95 Ca 0.06 0.18 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1wgs s LYS 95 Cb -0.01 0.04 0.00 0.00 -1.68 0.00 0.00 37.83 36.18 1wgs s LYS 95 CO -0.04 -0.02 0.00 0.44 -0.76 0.00 0.00 175.35 174.96 1wgs n ILE 96 N 3.40 0.00 -3.67 2.17 -6.64 -1.26 -5.06 119.36 108.29 1wgs n ILE 96 Ca -0.16 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.69 1wgs n ILE 96 Cb 0.56 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.68 1wgs n ILE 96 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1wgs s THR 97 N -0.84 -0.00 0.30 7.28 -1.32 -1.26 -5.17 115.64 114.63 1wgs s THR 97 Ca 0.00 0.01 0.07 0.00 -1.21 0.00 0.00 61.69 60.56 1wgs s THR 97 Cb 0.00 -0.81 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1wgs s THR 97 CO 0.00 0.00 0.23 0.00 -2.21 0.00 0.00 174.62 172.65 1wgs s ARG 98 N 0.48 2.76 0.06 7.08 1.70 -1.26 -5.14 118.95 124.63 1wgs s ARG 98 Ca -0.01 -1.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.03 1wgs s ARG 98 Cb -0.04 -2.48 -0.03 0.00 -0.57 0.00 0.00 34.95 31.83 1wgs s ARG 98 CO -0.02 0.22 -0.06 -0.80 -1.08 0.00 0.00 175.30 173.57 1wgs s ASN 99 N -3.91 0.77 0.13 -2.89 0.01 -1.26 -5.16 114.94 102.63 1wgs s ASN 99 Ca 0.37 -0.79 0.11 0.00 -0.71 0.00 0.00 52.86 51.84 1wgs s ASN 99 Cb -0.06 0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.66 1wgs s ASN 99 CO 0.25 -0.39 -0.24 -1.58 -1.51 0.00 0.00 177.10 173.63 1wgs s GLN 100 N -2.82 1.51 0.07 -0.60 2.00 -1.26 -5.14 119.66 113.42 1wgs s GLN 100 Ca -0.00 -1.33 0.01 0.00 -2.00 0.00 0.00 55.36 52.04 1wgs s GLN 100 Cb -0.01 -1.95 -0.04 0.00 0.80 0.00 0.00 33.01 31.82 1wgs s GLN 100 CO -0.04 0.45 0.16 0.21 -0.50 0.00 0.00 175.29 175.57 1wgs s LYS 101 N -2.16 3.23 -0.25 1.67 2.20 -1.26 -5.10 119.74 118.07 1wgs s LYS 101 Ca 0.16 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1wgs s LYS 101 Cb -0.10 -2.92 0.17 0.00 -1.51 0.00 0.00 37.83 33.47 1wgs s LYS 101 CO 0.07 0.59 1.26 0.50 -0.36 0.00 0.00 175.35 177.42 1wgs s ARG 102 N -2.46 0.21 0.20 4.03 6.06 -1.26 -5.19 118.95 120.54 1wgs s ARG 102 Ca 0.33 0.06 -0.23 0.00 -2.50 0.00 0.00 55.73 53.40 1wgs s ARG 102 Cb -0.13 0.10 0.05 0.00 0.06 0.00 0.00 34.95 35.03 1wgs s ARG 102 CO 0.26 -0.06 0.68 0.21 -2.50 0.00 0.00 175.30 173.88 1wgs s LYS 103 N -0.95 1.45 -0.11 5.12 2.20 -1.26 -5.18 119.74 121.02 1wgs s LYS 103 Ca 0.06 -0.67 -0.33 0.00 -0.36 0.00 0.00 55.97 54.66 1wgs s LYS 103 Cb -0.01 0.58 0.15 0.00 -1.51 0.00 0.00 37.83 37.04 1wgs s LYS 103 CO -0.06 -0.65 1.44 -3.38 -0.36 0.00 0.00 175.35 172.34 1wgs s HIS 104 N -3.77 -0.00 0.00 4.03 -3.43 -1.26 -5.19 115.29 105.67 1wgs s HIS 104 Ca 0.06 -0.00 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 1wgs s HIS 104 Cb -0.03 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 1wgs s HIS 104 CO -0.04 -0.01 0.00 -0.25 -2.00 0.00 0.00 174.74 172.44 1wgs n ASP 105 N -0.48 0.00 -3.72 7.38 8.00 -1.26 -5.18 116.55 121.30 1wgs n ASP 105 Ca -0.09 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.27 1wgs n ASP 105 Cb 0.64 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 1wgs n ASP 105 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wgs s GLU 106 N -2.00 0.57 0.88 -1.24 2.56 -1.26 -5.17 118.70 113.04 1wgs s GLU 106 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 54.97 55.30 1wgs s GLU 106 Cb 0.00 0.27 0.20 0.00 2.00 0.00 0.00 34.13 36.60 1wgs s GLU 106 CO 0.00 -0.10 1.20 0.44 -0.56 0.00 0.00 175.26 176.24 1wgs n ILE 107 N 2.49 0.00 -3.64 -3.70 -6.64 -1.26 -5.10 119.36 101.50 1wgs n ILE 107 Ca -0.15 -0.92 -0.02 0.00 -1.77 0.00 0.00 62.75 59.89 1wgs n ILE 107 Cb 0.57 -1.53 -0.03 0.00 -1.44 0.00 0.00 39.64 37.22 1wgs n ILE 107 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 1wgs s ASN 108 N -5.39 -0.02 -0.29 7.28 -0.87 -1.26 -5.18 114.94 109.22 1wgs s ASN 108 Ca 0.68 0.01 -0.20 0.00 -1.57 0.00 0.00 52.86 51.78 1wgs s ASN 108 Cb -0.02 0.02 0.15 0.00 -0.02 0.00 0.00 41.25 41.39 1wgs s ASN 108 CO 0.48 -0.03 1.08 -1.38 -2.57 0.00 0.00 177.10 174.68 1wgs s HIS 109 N -1.76 -0.42 0.47 2.20 -3.43 -1.26 -5.18 115.29 105.92 1wgs s HIS 109 Ca 0.11 0.89 0.07 0.00 -0.80 0.00 0.00 55.06 55.34 1wgs s HIS 109 Cb -0.01 0.33 0.01 0.00 -1.43 0.00 0.00 32.58 31.47 1wgs s HIS 109 CO -0.04 -0.20 0.43 0.14 -2.00 0.00 0.00 174.74 173.06 1wgs s VAL 110 N 0.84 2.31 0.51 -5.38 -7.23 -1.26 -5.15 120.40 105.04 1wgs s VAL 110 Ca -0.04 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1wgs s VAL 110 Cb -0.04 -2.66 -0.00 0.00 0.56 0.00 0.00 36.38 34.24 1wgs s VAL 110 CO -0.12 0.00 0.03 0.00 -0.31 0.00 0.00 175.10 174.70 1wgs s GLN 111 N -4.23 2.19 -0.30 4.82 0.00 -1.26 -5.15 119.66 115.73 1wgs s GLN 111 Ca 0.46 -2.41 -0.06 0.00 -0.00 0.00 0.00 55.36 53.34 1wgs s GLN 111 Cb -0.03 -1.32 0.18 0.00 0.00 0.00 0.00 33.01 31.84 1wgs s GLN 111 CO 0.27 -0.44 0.78 0.21 0.00 0.00 0.00 175.29 176.11 1wgs s LYS 112 N -3.86 0.42 0.16 9.60 2.20 -1.26 -5.17 119.74 121.84 1wgs s LYS 112 Ca 0.05 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.45 1wgs s LYS 112 Cb 0.00 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.78 1wgs s LYS 112 CO 0.03 -0.44 0.22 0.25 -0.36 0.00 0.00 175.35 175.05 1wgs n THR 113 N 5.43 0.00 -4.30 3.43 -2.24 -1.26 -5.15 114.28 110.20 1wgs n THR 113 Ca -0.04 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 1wgs n THR 113 Cb 0.52 -0.91 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 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 -0.04 1.48 -0.30 4.78 -0.85 -1.26 -5.15 117.35 116.02 1wgs s TYR 114 Ca 0.17 -1.18 -0.05 0.00 -0.52 0.00 0.00 57.07 55.49 1wgs s TYR 114 Cb -0.01 -0.86 0.19 0.00 0.38 0.00 0.00 41.96 41.66 1wgs s TYR 114 CO 0.11 -0.35 0.75 0.00 -1.52 0.00 0.00 175.55 174.54 1wgs s ALA 115 N -3.78 -2.67 0.00 9.51 0.00 -1.26 -5.13 121.76 118.43 1wgs s ALA 115 Ca 0.37 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1wgs s ALA 115 Cb 0.08 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1wgs s ALA 115 CO 0.13 -1.40 0.00 -0.85 0.00 0.00 0.00 175.76 173.64 1wgs n GLU 116 N 5.44 0.00 -4.36 0.00 0.28 -1.26 -5.18 120.64 115.56 1wgs n GLU 116 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.79 1wgs n GLU 116 Cb 0.52 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.29 1wgs n GLU 116 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1wgs s MET 117 N 0.00 1.43 0.00 3.44 -1.94 -1.26 -5.14 119.30 115.83 1wgs s MET 117 Ca 0.00 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.23 1wgs s MET 117 Cb 0.00 -0.61 0.00 0.00 2.01 0.00 0.00 34.83 36.23 1wgs s MET 117 CO 0.00 -0.16 0.00 -0.40 -0.01 0.00 0.00 175.02 174.45 1wgs n ASP 118 N -0.50 0.00 0.00 3.03 5.68 -1.26 -5.11 116.55 118.39 1wgs n ASP 118 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1wgs n ASP 118 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1wgs n ASP 118 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1wgs n PRO 119 N 0.00 0.00 -1.45 0.11 -0.04 -1.26 -5.04 135.00 127.32 1wgs n PRO 119 Ca 0.00 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1wgs n PRO 119 Cb 0.00 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1wgs n PRO 119 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wgs n THR 120 N -0.93 0.00 -4.53 0.52 -2.24 -1.26 -5.18 114.28 100.67 1wgs n THR 120 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1wgs n THR 120 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1wgs n THR 120 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wgs s THR 121 N -0.99 2.04 -0.09 4.28 -1.32 -1.26 -5.14 115.64 113.16 1wgs s THR 121 Ca 0.00 -2.15 0.03 0.00 -1.21 0.00 0.00 61.69 58.37 1wgs s THR 121 Cb 0.00 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1wgs s THR 121 CO 0.00 -0.18 -0.21 0.00 -2.21 0.00 0.00 174.62 172.03 1wgs s ALA 122 N -2.73 1.92 0.00 11.08 0.00 -1.26 -5.07 121.76 125.70 1wgs s ALA 122 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1wgs s ALA 122 Cb 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1wgs s ALA 122 CO 0.16 0.23 0.00 0.00 0.00 0.00 0.00 175.76 176.15 1wgs n ALA 123 N 3.62 0.00 -2.93 0.00 0.00 -1.26 -5.11 120.51 114.84 1wgs n ALA 123 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1wgs n ALA 123 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1wgs n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgs n LEU 124 N 0.00 -5.33 -4.88 0.00 4.32 -1.26 -5.01 117.00 104.84 1wgs n LEU 124 Ca 0.00 1.27 -0.23 0.00 -0.02 0.00 0.00 56.01 57.02 1wgs n LEU 124 Cb 0.00 -2.28 -0.02 0.00 -1.62 0.00 0.00 43.42 39.50 1wgs n LEU 124 CO 0.00 -2.90 0.03 -1.83 -1.22 0.00 0.00 177.39 171.47 1wgs s GLU 125 N -0.65 2.38 0.18 3.23 -1.05 -1.26 -5.15 118.70 116.38 1wgs s GLU 125 Ca -0.08 -1.76 0.00 0.00 -0.15 0.00 0.00 54.97 52.98 1wgs s GLU 125 Cb 0.01 -2.25 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 1wgs s GLU 125 CO 0.33 -0.40 0.07 0.15 0.95 0.00 0.00 175.26 176.36 1wgs s LYS 126 N -4.20 1.12 -0.30 -4.83 -0.14 -1.26 -5.15 119.74 104.98 1wgs s LYS 126 Ca 0.43 -1.57 -0.11 0.00 -1.36 0.00 0.00 55.97 53.37 1wgs s LYS 126 Cb -0.02 0.05 0.18 0.00 -1.68 0.00 0.00 37.83 36.35 1wgs s LYS 126 CO 0.26 -0.27 0.99 -2.00 -0.76 0.00 0.00 175.35 173.56 1wgs s GLU 127 N -4.04 0.22 0.35 1.68 2.12 -1.26 -5.17 118.70 112.60 1wgs s GLU 127 Ca 0.30 0.34 0.09 0.00 0.36 0.00 0.00 54.97 56.07 1wgs s GLU 127 Cb 0.07 0.18 -0.06 0.00 0.26 0.00 0.00 34.13 34.58 1wgs s GLU 127 CO 0.07 -0.30 -0.06 -1.54 -0.54 0.00 0.00 175.26 172.89 1wgs s SER 128 N 2.94 3.83 -0.30 -1.70 1.04 -1.26 -5.14 113.70 113.11 1wgs s SER 128 Ca 0.08 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.21 1wgs s SER 128 Cb -0.08 -0.39 0.14 0.00 0.10 0.00 0.00 66.02 65.79 1wgs s SER 128 CO -0.16 -0.24 0.78 -0.83 0.98 0.00 0.00 173.24 173.77 1wgs s GLY 129 N -3.64 -0.52 0.65 7.32 0.00 -1.26 -5.17 107.32 104.70 1wgs s GLY 129 Ca 0.33 2.62 -0.11 0.00 0.00 0.00 0.00 44.72 47.56 1wgs s GLY 129 CO 0.17 3.06 0.72 -1.55 0.00 0.00 0.00 173.10 175.50 1wgs n PRO 130 N 5.14 -1.51 -3.86 2.90 -0.04 -1.26 -5.11 135.00 131.26 1wgs n PRO 130 Ca -0.12 -1.13 -0.08 0.00 -0.04 0.00 0.00 63.50 62.13 1wgs n PRO 130 Cb 0.51 -0.89 -0.01 0.00 -0.04 0.00 0.00 33.50 33.08 1wgs n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgs s SER 131 N -3.57 -0.11 0.22 3.54 0.15 -1.26 -5.19 113.70 107.48 1wgs s SER 131 Ca 0.43 -0.86 -0.02 0.00 0.70 0.00 0.00 55.95 56.20 1wgs s SER 131 Cb -0.03 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 65.01 1wgs s SER 131 CO 0.32 -1.45 0.20 -0.44 1.20 0.00 0.00 173.24 173.07 1wgs s SER 132 N -2.99 0.23 0.00 5.45 0.01 -1.26 -5.38 113.70 109.75 1wgs s SER 132 Ca 0.14 -1.34 0.27 0.00 1.31 0.00 0.00 55.95 56.33 1wgs s SER 132 Cb -0.05 0.43 1.59 0.00 0.21 0.00 0.00 66.02 68.20 1wgs s SER 132 CO 0.09 -0.91 1.94 0.61 0.41 0.00 0.00 173.24 175.38