#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 6.20 -0.30 1.61 1.04 -1.26 -4.90 113.70 116.09 1wgs s SER 2 Ca 0.00 1.63 -0.16 0.00 0.48 0.00 0.00 55.95 57.90 1wgs s SER 2 Cb 0.00 -2.53 0.21 0.00 0.10 0.00 0.00 66.02 63.80 1wgs s SER 2 CO 0.00 -1.40 1.27 -0.55 0.98 0.00 0.00 173.24 173.54 1wgs s SER 3 N 4.98 -0.04 0.00 7.02 0.15 -1.26 -5.18 113.70 119.37 1wgs s SER 3 Ca 0.77 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wgs s SER 3 Cb -0.26 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1wgs s SER 3 CO 0.32 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.36 1wgs n GLY 4 N 3.07 1.86 3.73 9.45 0.00 -1.26 -5.02 105.19 117.02 1wgs n GLY 4 Ca -0.17 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.00 6.68 -0.30 1.61 0.15 -1.26 -4.96 113.70 114.62 1wgs s SER 5 Ca 0.00 2.57 -0.13 0.00 0.70 0.00 0.00 55.95 59.09 1wgs s SER 5 Cb 0.00 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.89 1wgs s SER 5 CO 0.00 -0.72 1.08 -0.94 1.20 0.00 0.00 173.24 173.86 1wgs s SER 6 N 0.74 -0.35 0.00 5.45 1.04 -1.26 -5.08 113.70 114.25 1wgs s SER 6 Ca 0.63 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1wgs s SER 6 Cb -0.41 1.24 0.00 0.00 0.10 0.00 0.00 66.02 66.95 1wgs s SER 6 CO 0.37 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1wgs n GLY 7 N 5.19 1.54 3.66 7.32 0.00 -1.26 -5.04 105.19 116.61 1wgs n GLY 7 Ca 0.05 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1wgs n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 8 N 0.00 4.27 -0.85 1.61 0.41 -1.26 -4.98 118.70 117.90 1wgs s GLU 8 Ca 0.00 0.97 -0.25 0.00 -0.41 0.00 0.00 54.97 55.28 1wgs s GLU 8 Cb 0.00 -3.59 0.00 0.00 -1.78 0.00 0.00 34.13 28.76 1wgs s GLU 8 CO 0.00 -0.36 1.64 -1.25 -0.49 0.00 0.00 175.26 174.80 1wgs s PRO 9 N 2.27 3.02 -0.04 0.39 0.04 -1.26 -4.96 135.00 134.46 1wgs s PRO 9 Ca 0.37 -0.35 -0.29 0.00 0.04 0.00 0.00 61.00 60.76 1wgs s PRO 9 Cb -0.16 -4.84 -0.03 0.00 0.04 0.00 0.00 34.50 29.52 1wgs s PRO 9 CO 0.11 -2.64 0.96 -1.21 0.04 0.00 0.00 177.00 174.27 1wgs s GLU 10 N 6.14 4.51 0.53 4.56 2.02 -1.26 -5.04 118.70 130.15 1wgs s GLU 10 Ca 0.55 1.36 0.07 0.00 0.02 0.00 0.00 54.97 56.97 1wgs s GLU 10 Cb -0.06 -3.48 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1wgs s GLU 10 CO 0.04 -0.12 0.52 0.54 0.02 0.00 0.00 175.26 176.25 1wgs s VAL 11 N 1.30 1.96 0.15 2.63 0.11 -1.26 -5.15 120.40 120.14 1wgs s VAL 11 Ca 0.50 -1.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.13 1wgs s VAL 11 Cb -0.20 -2.28 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1wgs s VAL 11 CO 0.24 0.00 0.29 -0.89 -3.33 0.00 0.00 175.10 171.41 1wgs s THR 12 N -2.69 0.08 0.09 5.04 2.01 -1.26 -5.18 115.64 113.73 1wgs s THR 12 Ca 0.45 -1.24 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1wgs s THR 12 Cb -0.03 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1wgs s THR 12 CO 0.28 -0.37 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.03 1wgs s VAL 13 N -3.92 0.99 -0.06 3.82 1.01 -1.26 -5.00 120.40 115.98 1wgs s VAL 13 Ca 0.13 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.66 1wgs s VAL 13 Cb 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1wgs s VAL 13 CO -0.04 -0.42 -0.17 -1.61 0.00 0.00 0.00 175.10 172.86 1wgs s GLU 14 N -2.32 2.07 0.40 2.72 2.02 -1.26 -5.13 118.70 117.20 1wgs s GLU 14 Ca 0.02 -0.62 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 1wgs s GLU 14 Cb -0.06 -1.70 -0.08 0.00 0.10 0.00 0.00 34.13 32.40 1wgs s GLU 14 CO 0.01 0.17 0.81 0.42 0.02 0.00 0.00 175.26 176.69 1wgs s ILE 15 N 0.28 4.69 0.00 -1.63 -1.09 -1.26 -3.85 121.20 118.34 1wgs s ILE 15 Ca -0.10 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1wgs s ILE 15 Cb -0.14 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1wgs s ILE 15 CO 0.04 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 173.92 1wgs n GLY 16 N -1.04 3.30 3.92 6.18 0.00 -1.10 -5.03 105.19 111.44 1wgs n GLY 16 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1wgs n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgs s GLU 17 N -0.64 3.36 -0.02 1.61 2.56 -1.25 -4.88 118.70 119.44 1wgs s GLU 17 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 54.97 54.23 1wgs s GLU 17 Cb 0.00 -2.92 -0.05 0.00 2.00 0.00 0.00 34.13 33.16 1wgs s GLU 17 CO 0.00 0.51 0.31 0.99 -0.56 0.00 0.00 175.26 176.51 1wgs s THR 18 N -1.75 5.22 0.17 -1.70 2.01 -1.26 -2.30 115.64 116.04 1wgs s THR 18 Ca 0.34 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.84 1wgs s THR 18 Cb -0.11 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 1wgs s THR 18 CO 0.28 0.50 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.34 1wgs s TYR 19 N -1.17 1.33 -0.40 4.92 1.51 -0.60 -4.94 117.35 118.00 1wgs s TYR 19 Ca 0.24 -0.86 -0.28 0.00 -1.01 0.00 0.00 57.07 55.16 1wgs s TYR 19 Cb -0.14 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.00 1wgs s TYR 19 CO 0.12 -0.01 1.03 -0.51 -1.11 0.00 0.00 175.55 175.07 1wgs s LEU 20 N -3.21 3.86 -0.11 -1.29 2.01 -1.26 -1.10 118.68 117.59 1wgs s LEU 20 Ca 0.21 0.62 -0.06 0.00 0.01 0.00 0.00 54.13 54.91 1wgs s LEU 20 Cb 0.04 -3.42 -0.04 0.00 0.01 0.00 0.00 46.19 42.78 1wgs s LEU 20 CO 0.03 -1.01 0.11 0.00 1.01 0.00 0.00 176.35 176.49 1wgs s ARG 22 N -0.98 4.44 -0.07 0.00 3.52 -1.02 -0.41 118.95 124.44 1wgs s ARG 22 Ca 0.14 2.08 -0.03 0.00 -0.13 0.00 0.00 55.73 57.79 1wgs s ARG 22 Cb -0.12 -3.13 0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1wgs s ARG 22 CO 0.04 -0.09 0.14 1.03 -0.81 0.00 0.00 175.30 175.60 1wgs s ARG 23 N -1.36 0.03 -1.11 5.12 0.52 -1.24 -4.87 118.95 116.04 1wgs s ARG 23 Ca 0.49 0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 56.01 1wgs s ARG 23 Cb -0.37 -0.27 -0.06 0.00 0.52 0.00 0.00 34.95 34.76 1wgs s ARG 23 CO 0.47 -0.27 2.11 -0.35 0.02 0.00 0.00 175.30 177.29 1wgs n PRO 24 N 4.98 2.21 0.00 3.54 -0.04 -1.26 -3.69 135.00 140.74 1wgs n PRO 24 Ca -0.11 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1wgs n PRO 24 Cb 0.50 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 6.52 0.00 0.00 3.54 -0.08 -1.26 -5.05 116.55 120.22 1wgs n ASP 25 Ca 0.52 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1wgs n ASP 25 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wgs n SER 26 N -2.58 0.00 -0.65 1.67 7.64 -1.24 -5.16 113.62 113.29 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgs n SER 26 Cb 0.08 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wgs n THR 27 N -2.03 0.00 -1.85 0.44 -2.24 -1.26 -5.09 114.28 102.25 1wgs n THR 27 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1wgs n THR 27 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wgs s TRP 28 N -6.22 3.18 0.08 4.78 0.52 -1.26 -3.60 118.94 116.42 1wgs s TRP 28 Ca 0.00 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.60 1wgs s TRP 28 Cb 0.00 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1wgs s TRP 28 CO 0.00 -1.03 -0.11 -1.01 0.02 0.00 0.00 176.95 174.82 1wgs s HIS 29 N -2.84 1.05 -0.16 -1.98 3.76 0.46 -4.92 115.29 110.65 1wgs s HIS 29 Ca 0.59 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.66 1wgs s HIS 29 Cb -0.14 -0.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 1wgs s HIS 29 CO 0.47 0.01 1.10 -1.54 -0.85 0.00 0.00 174.74 173.92 1wgs s SER 30 N -2.04 7.10 -0.04 1.40 1.04 -1.26 0.25 113.70 120.15 1wgs s SER 30 Ca -0.00 1.54 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1wgs s SER 30 Cb -0.07 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1wgs s SER 30 CO 0.01 -0.62 -0.02 0.00 0.98 0.00 0.00 173.24 173.58 1wgs s ALA 31 N 2.83 0.57 0.15 5.32 0.00 -0.25 -3.83 121.76 126.54 1wgs s ALA 31 Ca 0.49 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 1wgs s ALA 31 Cb -0.18 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 1wgs s ALA 31 CO 0.13 -0.10 1.12 -1.83 0.00 0.00 0.00 175.76 175.07 1wgs s GLU 32 N 1.10 4.56 -0.61 0.00 -1.05 0.11 -1.56 118.70 121.26 1wgs s GLU 32 Ca -0.08 1.72 -0.26 0.00 -0.15 0.00 0.00 54.97 56.19 1wgs s GLU 32 Cb -0.14 -3.30 0.04 0.00 -0.44 0.00 0.00 34.13 30.29 1wgs s GLU 32 CO -0.01 -0.00 1.12 0.08 0.95 0.00 0.00 175.26 177.40 1wgs s VAL 33 N 0.08 4.09 0.02 1.83 1.01 -0.97 0.15 120.40 126.62 1wgs s VAL 33 Ca 0.51 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 1wgs s VAL 33 Cb -0.29 -4.71 -0.14 0.00 0.00 0.00 0.00 36.38 31.24 1wgs s VAL 33 CO 0.33 -1.39 1.19 0.40 0.00 0.00 0.00 175.10 175.63 1wgs h ILE 34 N 6.08 0.00 -2.38 2.22 1.08 0.59 -2.90 117.51 122.20 1wgs h ILE 34 Ca -0.26 -0.16 -0.04 0.00 -0.39 0.00 0.00 64.86 64.01 1wgs h ILE 34 Cb 1.06 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1wgs h ILE 34 CO 1.18 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 178.65 1wgs n GLN 35 N -4.90 0.22 -4.29 2.37 1.13 -1.22 -4.61 117.38 106.09 1wgs n GLN 35 Ca -0.11 -0.62 -0.16 0.00 -1.94 0.00 0.00 57.00 54.16 1wgs n GLN 35 Cb 0.36 0.67 -0.10 0.00 0.11 0.00 0.00 30.24 31.28 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 -1.52 2.14 0.05 1.08 1.04 -1.26 -1.58 113.70 113.65 1wgs s SER 36 Ca 0.06 -1.01 -0.27 0.00 0.48 0.00 0.00 55.95 55.22 1wgs s SER 36 Cb -0.01 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.13 1wgs s SER 36 CO 0.04 -0.25 0.70 0.00 0.98 0.00 0.00 173.24 174.71 1wgs s ARG 37 N -3.65 1.09 0.02 4.02 1.70 -0.42 -4.95 118.95 116.76 1wgs s ARG 37 Ca 0.19 -0.22 0.07 0.00 -0.47 0.00 0.00 55.73 55.31 1wgs s ARG 37 Cb 0.01 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1wgs s ARG 37 CO 0.03 -0.44 -0.23 0.08 -1.08 0.00 0.00 175.30 173.67 1wgs s VAL 38 N -2.81 1.80 -0.26 4.99 1.01 -1.26 -0.62 120.40 123.25 1wgs s VAL 38 Ca -0.01 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.74 1wgs s VAL 38 Cb -0.01 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1wgs s VAL 38 CO -0.06 0.37 0.15 0.20 0.00 0.00 0.00 175.10 175.77 1wgs s ASN 39 N -0.89 5.81 0.03 3.32 -0.87 0.56 -4.96 114.94 117.95 1wgs s ASN 39 Ca 0.09 -0.03 -0.15 0.00 -1.57 0.00 0.00 52.86 51.19 1wgs s ASN 39 Cb -0.09 -2.06 -0.35 0.00 -0.02 0.00 0.00 41.25 38.72 1wgs s ASN 39 CO 0.01 -0.02 1.01 -0.78 -2.57 0.00 0.00 177.10 174.75 1wgs h ASP 40 N 8.14 0.84 0.35 -1.22 3.58 -1.95 0.62 116.42 126.77 1wgs h ASP 40 Ca -0.36 -0.89 -0.02 0.00 0.42 0.00 0.00 57.03 56.18 1wgs h ASP 40 Cb 1.18 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1wgs h ASP 40 CO 0.58 1.70 -0.17 1.56 -2.88 0.00 0.00 179.24 180.03 1wgs h GLN 41 N 0.16 -0.45 0.08 0.28 4.20 -1.98 -3.22 115.11 114.18 1wgs h GLN 41 Ca -0.25 0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.21 1wgs h GLN 41 Cb 2.15 0.10 0.02 0.00 0.30 0.00 0.00 27.48 30.06 1wgs h GLN 41 CO 0.27 -0.22 -1.17 0.93 -0.67 0.00 0.00 178.83 177.98 1wgs h GLU 42 N -0.60 0.63 -1.50 1.46 4.39 -1.99 -3.48 114.58 113.49 1wgs h GLU 42 Ca -0.05 -0.78 0.00 0.00 0.34 0.00 0.00 59.36 58.87 1wgs h GLU 42 Cb 0.44 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1wgs h GLU 42 CO 0.08 1.35 0.00 0.41 -1.16 0.00 0.00 179.01 179.69 1wgs n GLY 43 N 1.26 0.64 3.23 -3.84 0.00 0.21 -5.06 105.19 101.64 1wgs n GLY 43 Ca -0.12 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.02 1.03 0.25 1.61 0.52 -0.95 -4.96 118.95 112.44 1wgs s ARG 44 Ca 0.00 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 1wgs s ARG 44 Cb 0.00 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 1wgs s ARG 44 CO 0.00 -0.34 0.45 -1.21 0.02 0.00 0.00 175.30 174.22 1wgs s GLU 45 N -4.02 3.53 0.09 3.54 2.02 -1.26 -0.32 118.70 122.29 1wgs s GLU 45 Ca 0.21 -0.30 -0.13 0.00 0.02 0.00 0.00 54.97 54.77 1wgs s GLU 45 Cb 0.06 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1wgs s GLU 45 CO 0.01 0.32 0.32 -1.21 0.02 0.00 0.00 175.26 174.72 1wgs s GLU 46 N -3.59 0.94 -0.08 1.61 2.02 0.21 -4.57 118.70 115.25 1wgs s GLU 46 Ca 0.39 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 1wgs s GLU 46 Cb -0.11 0.41 0.05 0.00 0.10 0.00 0.00 34.13 34.57 1wgs s GLU 46 CO 0.30 -0.34 0.16 -0.06 0.02 0.00 0.00 175.26 175.35 1wgs s PHE 47 N -3.52 -0.19 -0.79 1.61 0.40 -0.09 -1.30 117.98 114.11 1wgs s PHE 47 Ca 0.02 0.59 -0.26 0.00 -0.60 0.00 0.00 56.93 56.68 1wgs s PHE 47 Cb 0.02 -0.18 0.00 0.00 0.51 0.00 0.00 43.02 43.37 1wgs s PHE 47 CO -0.10 -0.24 1.64 -0.47 0.70 0.00 0.00 175.22 176.75 1wgs s TYR 48 N 1.90 2.03 -0.05 0.36 5.04 -0.61 -0.47 117.35 125.55 1wgs s TYR 48 Ca -0.01 0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.72 1wgs s TYR 48 Cb -0.12 -4.35 -0.05 0.00 0.35 0.00 0.00 41.96 37.80 1wgs s TYR 48 CO -0.06 -2.06 0.29 0.14 -1.34 0.00 0.00 175.55 172.52 1wgs s VAL 49 N 7.59 5.25 -0.16 3.14 -7.23 -1.08 0.12 120.40 128.03 1wgs s VAL 49 Ca 0.55 0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 61.22 1wgs s VAL 49 Cb -0.08 -3.57 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 1wgs s VAL 49 CO 0.09 0.58 -0.04 -2.28 -0.31 0.00 0.00 175.10 173.14 1wgs s HIS 50 N -1.07 3.01 -1.19 2.82 2.46 0.41 -3.95 115.29 117.78 1wgs s HIS 50 Ca 0.20 -0.38 -0.19 0.00 0.47 0.00 0.00 55.06 55.16 1wgs s HIS 50 Cb -0.14 -1.98 0.08 0.00 -0.13 0.00 0.00 32.58 30.41 1wgs s HIS 50 CO 0.10 -0.11 1.58 0.71 -2.47 0.00 0.00 174.74 174.55 1wgs s TYR 51 N 0.52 2.83 -0.77 3.88 2.02 -1.26 0.09 117.35 124.66 1wgs s TYR 51 Ca -0.03 -1.47 -0.37 0.00 -0.37 0.00 0.00 57.07 54.83 1wgs s TYR 51 Cb -0.14 -4.65 -0.21 0.00 -0.40 0.00 0.00 41.96 36.56 1wgs s TYR 51 CO 0.03 -1.77 2.45 1.33 -1.57 0.00 0.00 175.55 176.02 1wgs n VAL 52 N 6.23 0.00 0.00 0.71 0.24 -1.25 -0.54 118.33 123.71 1wgs n VAL 52 Ca 0.41 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1wgs n VAL 52 Cb 0.47 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 6.95 2.76 3.48 7.63 0.00 -1.26 -5.03 105.19 119.72 1wgs n GLY 53 Ca 0.61 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.73 -0.90 1.61 3.72 0.29 -4.90 117.46 116.56 1wgs n PHE 54 Ca 0.00 0.31 -0.33 0.00 -0.05 0.00 0.00 57.45 57.38 1wgs n PHE 54 Cb 0.00 -1.90 0.12 0.00 -0.94 0.00 0.00 39.48 36.76 1wgs n PHE 54 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1wgs n ASN 55 N -1.12 -1.49 -0.21 4.37 5.15 -1.26 -4.83 115.26 115.87 1wgs n ASN 55 Ca 0.09 0.40 -0.03 0.00 -0.60 0.00 0.00 54.58 54.44 1wgs n ASN 55 Cb 0.51 -1.25 0.15 0.00 -0.53 0.00 0.00 39.78 38.66 1wgs n ASN 55 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1wgs h ARG 56 N -1.32 0.99 0.00 1.20 2.47 -1.96 -0.94 114.38 114.82 1wgs h ARG 56 Ca -0.44 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1wgs h ARG 56 Cb 1.29 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1wgs h ARG 56 CO 0.37 0.82 0.07 0.07 0.56 0.00 0.00 179.97 181.86 1wgs h ARG 57 N 0.97 0.00 -3.02 0.04 0.11 -2.02 -3.07 114.38 107.40 1wgs h ARG 57 Ca 0.23 0.00 -0.75 0.00 0.10 0.00 0.00 59.98 59.56 1wgs h ARG 57 Cb 0.20 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.14 1wgs h ARG 57 CO -0.02 0.00 2.22 1.28 0.10 0.00 0.00 179.97 183.55 1wgs n LEU 58 N -2.77 7.41 -3.88 0.08 4.77 -0.36 -4.88 117.00 117.37 1wgs n LEU 58 Ca -0.02 -4.79 -0.20 0.00 -0.03 0.00 0.00 56.01 50.96 1wgs n LEU 58 Cb 0.13 -1.41 -0.16 0.00 -2.33 0.00 0.00 43.42 39.64 1wgs n LEU 58 CO 0.15 1.75 -0.41 1.51 -1.33 0.00 0.00 177.39 179.07 1wgs s ASP 59 N 0.54 1.06 0.20 -1.43 1.47 -1.16 -4.36 116.67 112.98 1wgs s ASP 59 Ca 0.47 -0.13 -0.14 0.00 1.18 0.00 0.00 52.55 53.93 1wgs s ASP 59 Cb 0.14 -0.46 0.01 0.00 -0.34 0.00 0.00 42.92 42.28 1wgs s ASP 59 CO -0.05 -0.07 0.46 -1.83 0.68 0.00 0.00 175.17 174.36 1wgs s GLU 60 N 1.07 1.37 0.39 2.11 -1.05 -1.25 -5.07 118.70 116.26 1wgs s GLU 60 Ca -0.09 -1.02 -0.09 0.00 -0.15 0.00 0.00 54.97 53.62 1wgs s GLU 60 Cb -0.14 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 1wgs s GLU 60 CO -0.01 -0.56 0.74 -1.58 0.95 0.00 0.00 175.26 174.80 1wgs s TRP 61 N -3.93 3.48 0.31 4.83 0.52 -1.26 -2.63 118.94 120.26 1wgs s TRP 61 Ca 0.14 0.98 0.03 0.00 0.02 0.00 0.00 56.10 57.26 1wgs s TRP 61 Cb 0.00 -2.39 -0.06 0.00 -1.15 0.00 0.00 33.47 29.88 1wgs s TRP 61 CO 0.00 -0.08 0.08 0.14 0.02 0.00 0.00 176.95 177.11 1wgs s VAL 62 N -2.36 0.93 0.23 4.03 -7.23 0.39 -4.83 120.40 111.56 1wgs s VAL 62 Ca 0.50 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1wgs s VAL 62 Cb -0.10 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 1wgs s VAL 62 CO 0.32 0.00 0.36 -1.81 -0.31 0.00 0.00 175.10 173.66 1wgs s ASP 63 N -3.44 6.33 0.49 4.85 1.01 -1.26 -0.91 116.67 123.73 1wgs s ASP 63 Ca 0.36 0.14 0.14 0.00 0.71 0.00 0.00 52.55 53.90 1wgs s ASP 63 Cb 0.08 -1.89 1.16 0.00 1.01 0.00 0.00 42.92 43.28 1wgs s ASP 63 CO 0.15 -0.06 2.10 0.11 0.21 0.00 0.00 175.17 177.68 1wgs h LYS 64 N 1.40 0.17 -0.11 8.23 1.57 -1.93 -0.96 116.57 124.94 1wgs h LYS 64 Ca -0.51 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.14 1wgs h LYS 64 Cb 1.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1wgs h LYS 64 CO 0.63 0.11 -0.42 -0.97 -0.57 0.00 0.00 179.45 178.23 1wgs h ASN 65 N 0.17 0.57 0.08 0.86 -1.24 -1.97 -2.93 115.58 111.12 1wgs h ASN 65 Ca 0.08 -0.62 -0.00 0.00 0.71 0.00 0.00 56.30 56.47 1wgs h ASN 65 Cb 0.10 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1wgs h ASN 65 CO -0.01 1.09 -0.01 0.03 -1.29 0.00 0.00 177.43 177.24 1wgs h ARG 66 N 0.08 0.00 -7.04 6.67 3.08 -1.62 -3.42 114.38 112.13 1wgs h ARG 66 Ca -0.02 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.58 1wgs h ARG 66 Cb 1.06 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.18 1wgs h ARG 66 CO 0.09 0.01 0.07 -0.51 -1.07 0.00 0.00 179.97 178.56 1wgs s LEU 67 N -6.95 3.07 -0.42 3.04 1.43 -0.48 -2.42 118.68 115.94 1wgs s LEU 67 Ca -0.05 -0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1wgs s LEU 67 Cb 0.14 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.98 1wgs s LEU 67 CO 0.49 -1.57 0.26 0.00 0.23 0.00 0.00 176.35 175.76 1wgs s ALA 68 N -3.02 3.29 -0.40 4.21 0.00 -1.07 -4.63 121.76 120.15 1wgs s ALA 68 Ca 0.62 -2.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1wgs s ALA 68 Cb -0.08 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.50 1wgs s ALA 68 CO 0.42 -1.63 0.19 -0.51 0.00 0.00 0.00 175.76 174.23 1wgs s LEU 69 N 1.44 5.20 0.37 0.00 1.43 -1.26 -4.74 118.68 121.12 1wgs s LEU 69 Ca 0.03 -2.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.07 1wgs s LEU 69 Cb -0.23 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wgs s LEU 69 CO 0.03 -0.52 0.00 0.41 0.23 0.00 0.00 176.35 176.49 1wgs n THR 70 N 4.53 0.00 -0.33 5.49 -1.04 -1.26 -3.01 114.28 118.66 1wgs n THR 70 Ca -0.01 0.35 0.11 0.00 -2.04 0.00 0.00 64.05 62.45 1wgs n THR 70 Cb 0.41 -0.73 0.31 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.08 0.80 -0.93 -2.82 2.10 -2.04 -1.03 116.57 111.57 1wgs h LYS 71 Ca -0.06 -0.05 0.26 0.00 -2.00 0.00 0.00 60.65 58.80 1wgs h LYS 71 Cb 1.06 -0.18 -0.17 0.00 -0.90 0.00 0.00 32.23 32.03 1wgs h LYS 71 CO 0.04 0.53 0.02 2.41 -2.00 0.00 0.00 179.45 180.44 1wgs n THR 72 N -4.64 -0.39 -4.31 0.07 -1.04 -1.26 -4.33 114.28 98.39 1wgs n THR 72 Ca 0.20 2.04 -0.26 0.00 -2.04 0.00 0.00 64.05 63.99 1wgs n THR 72 Cb 0.46 -2.98 -0.09 0.00 -1.82 0.00 0.00 70.33 65.90 1wgs n THR 72 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1wgs s VAL 73 N -5.91 3.16 0.00 12.58 1.01 -0.39 -4.92 120.40 125.93 1wgs s VAL 73 Ca -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.09 1wgs s VAL 73 Cb 0.27 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1wgs s VAL 73 CO 0.72 -0.18 0.00 0.29 0.00 0.00 0.00 175.10 175.93 1wgs n LYS 74 N -0.18 0.00 -2.01 2.72 4.76 -1.26 -4.23 118.16 117.95 1wgs n LYS 74 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1wgs n LYS 74 Cb 0.56 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.75 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 0.00 -8.70 -2.51 4.39 9.92 -1.26 -4.87 116.55 113.52 1wgs n ASP 75 Ca 0.00 1.33 -0.01 0.00 -0.53 0.00 0.00 54.79 55.58 1wgs n ASP 75 Cb 0.00 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 35.57 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgs n ALA 76 N 1.83 -3.33 -0.33 2.24 0.00 -1.26 -4.85 120.51 114.81 1wgs n ALA 76 Ca 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 1wgs n ALA 76 Cb 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.20 1wgs n ALA 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1wgs h VAL 77 N 2.31 0.04 -3.45 0.00 3.04 -2.03 -3.45 116.25 112.72 1wgs h VAL 77 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1wgs h VAL 77 Cb 0.16 0.04 -0.02 0.00 -2.01 0.00 0.00 31.29 29.46 1wgs h VAL 77 CO 0.10 0.00 -0.31 1.67 -1.01 0.00 0.00 177.57 178.02 1wgs n GLN 78 N -5.43 -0.93 -1.48 4.17 7.27 -1.26 -5.03 117.38 114.69 1wgs n GLN 78 Ca 0.07 1.10 -0.30 0.00 0.07 0.00 0.00 57.00 57.94 1wgs n GLN 78 Cb 0.37 -1.93 0.08 0.00 2.41 0.00 0.00 30.24 31.17 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1wgs s LYS 79 N -0.72 2.32 0.55 3.69 2.20 -1.26 -5.06 119.74 121.47 1wgs s LYS 79 Ca -0.04 0.84 0.01 0.00 -0.36 0.00 0.00 55.97 56.42 1wgs s LYS 79 Cb 0.00 -1.93 0.03 0.00 -1.51 0.00 0.00 37.83 34.42 1wgs s LYS 79 CO 0.18 -1.50 0.78 -0.80 -0.36 0.00 0.00 175.35 173.64 1wgs s ASN 80 N -3.75 5.32 0.34 1.43 -0.87 -1.26 -5.12 114.94 111.03 1wgs s ASN 80 Ca 0.60 0.05 0.04 0.00 -1.57 0.00 0.00 52.86 51.98 1wgs s ASN 80 Cb -0.15 -0.97 -0.06 0.00 -0.02 0.00 0.00 41.25 40.05 1wgs s ASN 80 CO 0.55 -1.11 0.06 -0.55 -2.57 0.00 0.00 177.10 173.48 1wgs s SER 81 N -4.40 2.47 1.13 -1.22 0.15 -1.26 -5.15 113.70 105.42 1wgs s SER 81 Ca 0.56 -1.40 -0.16 0.00 0.70 0.00 0.00 55.95 55.65 1wgs s SER 81 Cb -0.10 -0.05 0.25 0.00 -1.71 0.00 0.00 66.02 64.40 1wgs s SER 81 CO 0.39 -0.62 1.09 -1.61 1.20 0.00 0.00 173.24 173.68 1wgs s GLU 82 N -3.88 -0.64 0.99 5.44 2.02 -1.26 -4.95 118.70 116.42 1wgs s GLU 82 Ca 0.35 0.21 -0.17 0.00 0.02 0.00 0.00 54.97 55.39 1wgs s GLU 82 Cb 0.08 -1.64 -0.08 0.00 0.10 0.00 0.00 34.13 32.60 1wgs s GLU 82 CO 0.15 -3.38 -0.46 1.17 0.02 0.00 0.00 175.26 172.76 1wgs n LYS 83 N -4.58 -0.22 -0.06 1.61 4.81 -1.26 -4.97 118.16 113.49 1wgs n LYS 83 Ca 0.09 -0.05 -0.06 0.00 -0.87 0.00 0.00 58.31 57.42 1wgs n LYS 83 Cb 0.58 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 34.29 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 -3.11 0.12 -4.36 5.64 4.19 -1.26 -5.08 117.16 113.29 1wgs n TYR 84 Ca 0.01 0.05 -0.20 0.00 3.31 0.00 0.00 57.90 61.07 1wgs n TYR 84 Cb 0.58 -0.41 -0.06 0.00 0.49 0.00 0.00 39.34 39.94 1wgs n TYR 84 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1wgs n LEU 85 N -3.94 0.00 -4.71 2.98 4.77 -1.26 -5.14 117.00 109.70 1wgs n LEU 85 Ca -0.09 -2.74 -0.33 0.00 -0.03 0.00 0.00 56.01 52.82 1wgs n LEU 85 Cb 0.35 1.14 0.12 0.00 -2.33 0.00 0.00 43.42 42.70 1wgs n LEU 85 CO 0.14 -0.44 0.75 -0.44 -1.33 0.00 0.00 177.39 176.08 1wgs s SER 86 N -3.12 3.73 0.00 -1.43 0.01 -1.26 -5.03 113.70 106.59 1wgs s SER 86 Ca 0.25 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1wgs s SER 86 Cb 0.01 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wgs s SER 86 CO 0.18 -2.57 0.00 1.21 0.41 0.00 0.00 173.24 172.47 1wgs n GLU 87 N -3.32 0.00 -1.81 12.44 0.00 -1.26 -5.14 120.64 121.55 1wgs n GLU 87 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.92 1wgs n GLU 87 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 31.44 32.01 1wgs n GLU 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wgs s LEU 88 N 0.00 3.60 0.00 4.31 1.02 -1.26 -5.01 118.68 121.34 1wgs s LEU 88 Ca 0.00 2.57 -0.02 0.00 0.02 0.00 0.00 54.13 56.70 1wgs s LEU 88 Cb 0.00 -4.61 0.01 0.00 0.02 0.00 0.00 46.19 41.60 1wgs s LEU 88 CO 0.00 -1.90 0.11 0.00 0.02 0.00 0.00 176.35 174.58 1wgs n ALA 89 N -1.82 -0.21 -3.60 4.21 0.00 -1.26 -5.14 120.51 112.69 1wgs n ALA 89 Ca 0.15 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1wgs n ALA 89 Cb 0.48 0.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.06 2.84 0.86 0.00 2.12 -1.26 -5.11 118.70 116.09 1wgs s GLU 90 Ca 0.04 -0.99 -0.12 0.00 0.36 0.00 0.00 54.97 54.26 1wgs s GLU 90 Cb -0.01 -3.08 0.11 0.00 0.26 0.00 0.00 34.13 31.41 1wgs s GLU 90 CO 0.03 -0.43 1.11 -0.65 -0.54 0.00 0.00 175.26 174.78 1wgs s GLN 91 N 1.35 1.55 0.00 4.30 -0.21 -1.26 -5.06 119.66 120.32 1wgs s GLN 91 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.88 1wgs s GLN 91 Cb -0.17 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1wgs s GLN 91 CO -0.03 -1.96 0.00 -0.35 -2.12 0.00 0.00 175.29 170.83 1wgs n PRO 92 N -3.64 -0.32 -4.55 2.91 -0.04 -1.26 -5.11 135.00 122.99 1wgs n PRO 92 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.26 1wgs n PRO 92 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 1wgs n PRO 92 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1wgs s GLU 93 N -2.63 1.99 0.41 0.54 8.01 -1.26 -5.17 118.70 120.59 1wgs s GLU 93 Ca 0.00 -2.23 0.07 0.00 0.01 0.00 0.00 54.97 52.82 1wgs s GLU 93 Cb 0.00 -0.72 -0.05 0.00 -4.31 0.00 0.00 34.13 29.05 1wgs s GLU 93 CO 0.00 -0.48 0.20 -0.98 0.01 0.00 0.00 175.26 174.01 1wgs s ARG 94 N -3.71 2.25 -0.03 1.61 1.04 -1.26 -5.14 118.95 113.71 1wgs s ARG 94 Ca 0.21 -1.82 0.06 0.00 -1.04 0.00 0.00 55.73 53.14 1wgs s ARG 94 Cb 0.02 -2.02 -0.02 0.00 -2.04 0.00 0.00 34.95 30.89 1wgs s ARG 94 CO 0.13 -0.13 -0.21 0.21 -0.04 0.00 0.00 175.30 175.26 1wgs s LYS 95 N -3.93 2.25 1.13 3.89 2.20 -1.26 -5.12 119.74 118.90 1wgs s LYS 95 Ca 0.42 -0.85 -0.14 0.00 -0.36 0.00 0.00 55.97 55.04 1wgs s LYS 95 Cb 0.03 -2.18 0.26 0.00 -1.51 0.00 0.00 37.83 34.43 1wgs s LYS 95 CO 0.23 0.58 1.05 -1.50 -0.36 0.00 0.00 175.35 175.35 1wgs s ILE 96 N -0.68 1.93 -0.03 5.43 2.07 -1.26 -5.04 121.20 123.61 1wgs s ILE 96 Ca 0.11 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.42 1wgs s ILE 96 Cb -0.10 -2.27 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 1wgs s ILE 96 CO 0.00 0.00 -0.26 -0.89 -1.91 0.00 0.00 174.94 171.88 1wgs s THR 97 N -2.69 2.05 0.68 4.00 2.01 -1.26 -5.14 115.64 115.30 1wgs s THR 97 Ca 0.67 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1wgs s THR 97 Cb -0.21 -1.71 0.10 0.00 0.01 0.00 0.00 72.50 70.69 1wgs s THR 97 CO 0.61 0.58 0.95 0.00 -0.69 0.00 0.00 174.62 176.07 1wgs s ARG 98 N -0.45 1.89 0.33 4.92 1.04 -1.26 -5.12 118.95 120.30 1wgs s ARG 98 Ca 0.05 -0.97 -0.05 0.00 -1.04 0.00 0.00 55.73 53.72 1wgs s ARG 98 Cb -0.11 -2.35 0.01 0.00 -2.04 0.00 0.00 34.95 30.45 1wgs s ARG 98 CO 0.01 -1.28 0.50 1.21 -0.04 0.00 0.00 175.30 175.69 1wgs s ASN 99 N -4.65 0.69 0.31 -2.89 3.84 -1.26 -5.19 114.94 105.79 1wgs s ASN 99 Ca 0.64 -1.38 -0.01 0.00 0.21 0.00 0.00 52.86 52.31 1wgs s ASN 99 Cb -0.07 0.67 -0.01 0.00 -0.55 0.00 0.00 41.25 41.28 1wgs s ASN 99 CO 0.43 -1.31 0.37 -1.10 -2.79 0.00 0.00 177.10 172.71 1wgs s GLN 100 N -3.13 1.71 0.25 0.43 -1.52 -1.26 -5.18 119.66 110.96 1wgs s GLN 100 Ca 0.28 -1.74 -0.03 0.00 -1.95 0.00 0.00 55.36 51.92 1wgs s GLN 100 Cb -0.01 0.39 0.01 0.00 -0.22 0.00 0.00 33.01 33.19 1wgs s GLN 100 CO 0.18 -0.67 0.38 0.36 -0.25 0.00 0.00 175.29 175.28 1wgs n LYS 101 N -0.51 0.55 -3.98 2.91 2.85 -1.26 -5.19 118.16 113.53 1wgs n LYS 101 Ca 0.02 -1.86 -0.11 0.00 -1.05 0.00 0.00 58.31 55.31 1wgs n LYS 101 Cb 0.62 1.88 -0.03 0.00 -0.65 0.00 0.00 35.03 36.85 1wgs n LYS 101 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1wgs s ARG 102 N -2.46 1.82 0.34 -1.58 3.00 -1.26 -5.19 118.95 113.63 1wgs s ARG 102 Ca 0.18 -1.44 -0.08 0.00 -1.00 0.00 0.00 55.73 53.39 1wgs s ARG 102 Cb -0.01 0.50 0.02 0.00 0.00 0.00 0.00 34.95 35.46 1wgs s ARG 102 CO 0.13 -0.79 0.57 0.21 0.00 0.00 0.00 175.30 175.42 1wgs s LYS 103 N -3.35 1.93 0.23 5.12 2.36 -1.26 -5.19 119.74 119.59 1wgs s LYS 103 Ca 0.23 -1.56 -0.02 0.00 -2.55 0.00 0.00 55.97 52.07 1wgs s LYS 103 Cb -0.02 0.50 0.01 0.00 -1.05 0.00 0.00 37.83 37.27 1wgs s LYS 103 CO 0.13 -0.84 0.34 0.72 1.55 0.00 0.00 175.35 177.25 1wgs n HIS 104 N -0.52 -1.19 -3.83 4.03 8.25 -1.26 -5.19 115.22 115.52 1wgs n HIS 104 Ca -0.02 -1.48 -0.06 0.00 -0.26 0.00 0.00 57.72 55.89 1wgs n HIS 104 Cb 0.61 0.39 0.01 0.00 1.12 0.00 0.00 29.99 32.11 1wgs n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wgs s ASP 105 N -2.39 -0.09 -0.07 0.41 1.01 -1.26 -5.18 116.67 109.10 1wgs s ASP 105 Ca 0.18 -0.81 -0.11 0.00 0.71 0.00 0.00 52.55 52.52 1wgs s ASP 105 Cb -0.01 0.70 0.02 0.00 1.01 0.00 0.00 42.92 44.65 1wgs s ASP 105 CO 0.13 -1.36 0.27 -0.70 0.21 0.00 0.00 175.17 173.72 1wgs s GLU 106 N -2.85 0.45 0.72 8.23 2.12 -1.26 -5.17 118.70 120.93 1wgs s GLU 106 Ca 0.15 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1wgs s GLU 106 Cb -0.04 0.21 0.14 0.00 0.26 0.00 0.00 34.13 34.69 1wgs s GLU 106 CO 0.08 -0.09 0.98 0.44 -0.54 0.00 0.00 175.26 176.13 1wgs n ILE 107 N 2.28 0.00 -4.14 -3.70 -0.00 -1.26 -5.13 119.36 107.41 1wgs n ILE 107 Ca -0.17 -1.58 -0.16 0.00 -0.00 0.00 0.00 62.75 60.84 1wgs n ILE 107 Cb 0.57 -0.88 -0.05 0.00 -0.00 0.00 0.00 39.64 39.29 1wgs n ILE 107 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1wgs s ASN 108 N -5.02 1.18 0.06 7.28 2.47 -1.26 -5.18 114.94 114.46 1wgs s ASN 108 Ca 0.66 -1.59 -0.27 0.00 0.42 0.00 0.00 52.86 52.08 1wgs s ASN 108 Cb -0.04 0.65 0.09 0.00 -1.45 0.00 0.00 41.25 40.50 1wgs s ASN 108 CO 0.43 -1.26 0.90 -2.28 -3.72 0.00 0.00 177.10 171.17 1wgs s HIS 109 N -3.06 -0.28 0.13 0.43 2.46 -1.26 -5.19 115.29 108.51 1wgs s HIS 109 Ca 0.33 0.09 -0.05 0.00 0.47 0.00 0.00 55.06 55.90 1wgs s HIS 109 Cb 0.00 0.57 -0.02 0.00 -0.13 0.00 0.00 32.58 33.00 1wgs s HIS 109 CO 0.23 -0.65 0.15 0.54 -2.47 0.00 0.00 174.74 172.54 1wgs s VAL 110 N -3.21 0.11 0.23 0.89 0.11 -1.26 -5.18 120.40 112.09 1wgs s VAL 110 Ca 0.07 -1.59 0.01 0.00 -2.93 0.00 0.00 61.98 57.54 1wgs s VAL 110 Cb -0.01 -1.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.05 1wgs s VAL 110 CO -0.05 -0.50 0.06 0.00 -3.33 0.00 0.00 175.10 171.28 1wgs n GLN 111 N -0.11 1.34 -3.26 1.54 0.00 -1.26 -5.15 117.38 110.49 1wgs n GLN 111 Ca -0.09 -1.59 0.03 0.00 0.00 0.00 0.00 57.00 55.36 1wgs n GLN 111 Cb 0.63 0.34 -0.02 0.00 0.00 0.00 0.00 30.24 31.19 1wgs n GLN 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1wgs s LYS 112 N -2.87 0.37 0.06 2.61 2.36 -1.26 -5.17 119.74 115.83 1wgs s LYS 112 Ca 0.05 0.75 0.01 0.00 -2.55 0.00 0.00 55.97 54.23 1wgs s LYS 112 Cb -0.00 0.43 0.01 0.00 -1.05 0.00 0.00 37.83 37.22 1wgs s LYS 112 CO 0.03 -0.31 0.07 0.25 1.55 0.00 0.00 175.35 176.95 1wgs n THR 113 N 5.34 0.00 -3.85 3.43 -2.24 -1.26 -5.15 114.28 110.54 1wgs n THR 113 Ca -0.06 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.47 1wgs n THR 113 Cb 0.52 -0.86 0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.48 0.08 0.06 4.78 -0.85 -1.26 -5.19 117.35 115.46 1wgs s TYR 114 Ca 0.06 -0.59 -0.03 0.00 -0.52 0.00 0.00 57.07 55.99 1wgs s TYR 114 Cb -0.00 0.75 -0.03 0.00 0.38 0.00 0.00 41.96 43.06 1wgs s TYR 114 CO 0.03 -1.16 0.04 0.00 -1.52 0.00 0.00 175.55 172.94 1wgs s ALA 115 N -2.25 0.23 -0.07 9.51 0.00 -1.26 -5.16 121.76 122.77 1wgs s ALA 115 Ca 0.19 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1wgs s ALA 115 Cb -0.04 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1wgs s ALA 115 CO 0.07 -0.38 -0.16 -1.83 0.00 0.00 0.00 175.76 173.46 1wgs s GLU 116 N -3.58 2.07 0.38 0.00 -1.05 -1.26 -5.14 118.70 110.12 1wgs s GLU 116 Ca 0.04 -0.56 0.07 0.00 -0.15 0.00 0.00 54.97 54.37 1wgs s GLU 116 Cb 0.05 -1.66 -0.01 0.00 -0.44 0.00 0.00 34.13 32.08 1wgs s GLU 116 CO -0.09 0.09 0.47 -1.64 0.95 0.00 0.00 175.26 175.04 1wgs s MET 117 N 0.51 2.86 0.36 -4.83 -1.94 -1.26 -5.10 119.30 109.89 1wgs s MET 117 Ca -0.15 -1.23 -0.18 0.00 -1.71 0.00 0.00 55.69 52.42 1wgs s MET 117 Cb -0.16 -2.68 -0.10 0.00 2.01 0.00 0.00 34.83 33.91 1wgs s MET 117 CO 0.05 -0.10 0.84 0.16 -0.01 0.00 0.00 175.02 175.95 1wgs s ASP 118 N -4.21 6.89 -0.04 3.03 -4.77 -1.26 -5.02 116.67 111.30 1wgs s ASP 118 Ca 0.49 1.49 -0.05 0.00 -3.30 0.00 0.00 52.55 51.18 1wgs s ASP 118 Cb -0.08 -2.46 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1wgs s ASP 118 CO 0.31 -0.25 0.33 1.55 0.70 0.00 0.00 175.17 177.81 1wgs h PRO 119 N 2.23 -0.19 -2.48 2.11 0.13 -2.08 -3.50 132.00 128.23 1wgs h PRO 119 Ca -0.48 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1wgs h PRO 119 Cb 1.18 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1wgs h PRO 119 CO 0.63 -0.13 0.52 -0.08 -0.23 0.00 0.00 178.00 178.72 1wgs s THR 120 N -2.17 0.00 0.05 1.56 -1.32 -1.26 -5.19 115.64 107.32 1wgs s THR 120 Ca -0.03 -0.65 -0.23 0.00 -1.21 0.00 0.00 61.69 59.57 1wgs s THR 120 Cb 0.00 -2.50 0.05 0.00 -1.51 0.00 0.00 72.50 68.54 1wgs s THR 120 CO 0.09 0.00 0.53 0.28 -2.21 0.00 0.00 174.62 173.30 1wgs s THR 121 N -2.65 0.03 0.00 5.08 -1.32 -1.26 -5.18 115.64 110.34 1wgs s THR 121 Ca 0.17 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1wgs s THR 121 Cb -0.02 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1wgs s THR 121 CO 0.04 -0.13 0.00 0.00 -2.21 0.00 0.00 174.62 172.33 1wgs n ALA 122 N 0.35 0.00 -3.39 11.08 0.00 -1.26 -5.19 120.51 122.10 1wgs n ALA 122 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1wgs n ALA 122 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1wgs n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgs n ALA 123 N -0.00 -0.28 -2.00 0.00 0.00 -1.26 -5.16 120.51 111.81 1wgs n ALA 123 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1wgs n ALA 123 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.16 0.00 -0.00 -1.26 -5.10 117.00 108.48 1wgs n LEU 124 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1wgs n LEU 124 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.65 1wgs n LEU 124 CO 0.11 0.00 -0.29 1.21 -0.00 0.00 0.00 177.39 178.42 1wgs n GLU 125 N 0.00 -2.04 -4.61 1.47 4.07 -1.26 -5.05 120.64 113.22 1wgs n GLU 125 Ca 0.00 1.83 -0.33 0.00 -0.06 0.00 0.00 57.16 58.60 1wgs n GLU 125 Cb 0.00 -3.41 -0.11 0.00 -0.06 0.00 0.00 31.44 27.86 1wgs n GLU 125 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1wgs s LYS 126 N -0.89 2.62 0.02 5.31 2.47 -1.26 -5.12 119.74 122.89 1wgs s LYS 126 Ca -0.02 -0.64 0.05 0.00 -1.56 0.00 0.00 55.97 53.79 1wgs s LYS 126 Cb 0.00 -2.51 -0.03 0.00 -1.46 0.00 0.00 37.83 33.83 1wgs s LYS 126 CO 0.44 0.63 -0.12 -2.00 0.16 0.00 0.00 175.35 174.46 1wgs s GLU 127 N -1.02 2.34 -0.08 4.03 2.12 -1.26 -5.12 118.70 119.71 1wgs s GLU 127 Ca 0.14 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 1wgs s GLU 127 Cb -0.11 -2.35 0.11 0.00 0.26 0.00 0.00 34.13 32.03 1wgs s GLU 127 CO 0.03 0.58 0.88 -1.54 -0.54 0.00 0.00 175.26 174.67 1wgs s SER 128 N -1.37 -0.44 0.00 -1.70 1.04 -1.26 -5.15 113.70 104.82 1wgs s SER 128 Ca 0.16 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1wgs s SER 128 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1wgs s SER 128 CO 0.06 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wgs n GLY 129 N 0.48 -0.75 1.78 7.32 0.00 -1.26 -5.18 105.19 107.58 1wgs n GLY 129 Ca -0.12 0.88 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 1wgs n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgs n PRO 130 N 0.00 -1.32 -4.14 1.61 -0.04 -1.26 -5.11 135.00 124.74 1wgs n PRO 130 Ca 0.00 -0.92 -0.14 0.00 -0.04 0.00 0.00 63.50 62.40 1wgs n PRO 130 Cb 0.00 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -3.15 0.74 0.16 3.54 0.01 -1.26 -5.09 113.70 108.66 1wgs s SER 131 Ca 0.35 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1wgs s SER 131 Cb -0.02 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1wgs s SER 131 CO 0.26 -1.12 0.00 -1.20 0.41 0.00 0.00 173.24 171.59 1wgs n SER 132 N -1.01 0.06 0.00 2.44 7.64 -1.26 -5.38 113.62 116.10 1wgs n SER 132 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1wgs n SER 132 Cb 0.63 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64