#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 -1.24 -4.58 1.61 7.64 -1.26 -4.98 113.62 110.80 1wgs n SER 2 Ca 0.00 0.56 -0.29 0.00 1.01 0.00 0.00 58.87 60.15 1wgs n SER 2 Cb 0.00 1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 64.47 1wgs n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wgs s SER 3 N -4.15 5.12 0.97 6.43 0.15 -1.26 -4.93 113.70 116.04 1wgs s SER 3 Ca 0.00 -1.68 -0.11 0.00 0.70 0.00 0.00 55.95 54.86 1wgs s SER 3 Cb 0.00 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.87 1wgs s SER 3 CO 0.00 -2.98 0.94 0.61 1.20 0.00 0.00 173.24 173.01 1wgs n GLY 4 N 5.81 -1.02 3.54 9.45 0.00 -1.26 -4.97 105.19 116.74 1wgs n GLY 4 Ca 0.45 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgs s SER 5 N -2.45 6.00 -0.36 1.61 0.01 -1.26 -5.05 113.70 112.19 1wgs s SER 5 Ca 0.65 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 1wgs s SER 5 Cb -0.23 -2.12 0.06 0.00 0.21 0.00 0.00 66.02 63.95 1wgs s SER 5 CO 0.61 -0.18 0.14 -0.44 0.41 0.00 0.00 173.24 173.77 1wgs s SER 6 N 1.72 5.29 -1.10 2.44 0.01 -1.26 -5.01 113.70 115.78 1wgs s SER 6 Ca 0.06 -1.42 -0.05 0.00 1.31 0.00 0.00 55.95 55.85 1wgs s SER 6 Cb -0.17 -1.85 0.29 0.00 0.21 0.00 0.00 66.02 64.50 1wgs s SER 6 CO 0.10 -0.40 1.52 0.61 0.41 0.00 0.00 173.24 175.48 1wgs n GLY 7 N 4.75 5.09 3.87 3.44 0.00 -1.26 -5.02 105.19 116.07 1wgs n GLY 7 Ca -0.10 -2.60 -0.31 0.00 0.00 0.00 0.00 46.02 43.00 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 -2.39 3.84 0.30 1.61 0.41 -1.26 -5.05 118.70 116.15 1wgs s GLU 8 Ca 0.32 0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 55.02 1wgs s GLU 8 Cb 0.05 -2.51 -0.09 0.00 -1.78 0.00 0.00 34.13 29.80 1wgs s GLU 8 CO 0.09 0.16 1.08 -1.25 -0.49 0.00 0.00 175.26 174.85 1wgs s PRO 9 N -3.23 4.58 -0.39 0.39 0.04 -1.26 -5.02 135.00 130.11 1wgs s PRO 9 Ca 0.50 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.29 1wgs s PRO 9 Cb -0.11 -3.09 0.14 0.00 0.04 0.00 0.00 34.50 31.48 1wgs s PRO 9 CO 0.24 0.18 0.24 -1.21 0.04 0.00 0.00 177.00 176.49 1wgs s GLU 10 N -1.59 0.83 0.55 4.56 2.02 -1.26 -5.12 118.70 118.69 1wgs s GLU 10 Ca 0.46 -1.65 0.09 0.00 0.02 0.00 0.00 54.97 53.90 1wgs s GLU 10 Cb -0.30 -1.64 0.07 0.00 0.10 0.00 0.00 34.13 32.36 1wgs s GLU 10 CO 0.38 -1.22 0.72 0.54 0.02 0.00 0.00 175.26 175.70 1wgs s VAL 11 N 0.70 2.22 0.10 2.63 0.11 -1.26 -5.14 120.40 119.76 1wgs s VAL 11 Ca 0.20 -1.05 -0.25 0.00 -2.93 0.00 0.00 61.98 57.94 1wgs s VAL 11 Cb -0.20 -2.27 0.08 0.00 -1.53 0.00 0.00 36.38 32.46 1wgs s VAL 11 CO -0.02 0.00 0.77 -0.89 -3.33 0.00 0.00 175.10 171.63 1wgs s THR 12 N -2.63 0.00 0.10 5.04 2.01 -1.26 -5.18 115.64 113.72 1wgs s THR 12 Ca 0.58 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1wgs s THR 12 Cb -0.06 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1wgs s THR 12 CO 0.36 0.00 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.42 1wgs s VAL 13 N -3.46 1.53 -0.04 3.82 1.01 -1.26 -5.03 120.40 116.97 1wgs s VAL 13 Ca 0.05 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 60.57 1wgs s VAL 13 Cb -0.01 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 1wgs s VAL 13 CO -0.08 -0.13 -0.18 -1.61 0.00 0.00 0.00 175.10 173.10 1wgs s GLU 14 N -1.93 1.85 0.54 2.72 2.02 -1.26 -5.13 118.70 117.50 1wgs s GLU 14 Ca 0.04 -0.64 -0.12 0.00 0.02 0.00 0.00 54.97 54.28 1wgs s GLU 14 Cb -0.10 -1.60 -0.05 0.00 0.10 0.00 0.00 34.13 32.47 1wgs s GLU 14 CO 0.04 0.26 0.94 0.42 0.02 0.00 0.00 175.26 176.94 1wgs s ILE 15 N 0.01 4.70 0.00 -1.63 -1.09 -1.26 -3.77 121.20 118.15 1wgs s ILE 15 Ca -0.04 0.84 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 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 -0.87 0.00 0.61 -1.23 0.00 0.00 174.94 173.47 1wgs n GLY 16 N -2.11 3.14 3.89 6.18 0.00 -1.09 -5.01 105.19 110.17 1wgs n GLY 16 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.52 3.23 -0.12 1.61 2.56 -1.25 -4.88 118.70 119.34 1wgs s GLU 17 Ca 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 54.97 54.21 1wgs s GLU 17 Cb 0.00 -2.84 -0.04 0.00 2.00 0.00 0.00 34.13 33.25 1wgs s GLU 17 CO 0.00 0.50 0.10 0.99 -0.56 0.00 0.00 175.26 176.29 1wgs s THR 18 N -1.75 5.12 0.23 -1.70 2.01 -1.26 -1.74 115.64 116.55 1wgs s THR 18 Ca 0.33 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.44 1wgs s THR 18 Cb -0.11 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1wgs s THR 18 CO 0.27 0.60 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.45 1wgs s TYR 19 N -0.88 1.65 -0.30 4.92 1.51 -0.65 -4.92 117.35 118.68 1wgs s TYR 19 Ca 0.14 -0.81 -0.25 0.00 -1.01 0.00 0.00 57.07 55.13 1wgs s TYR 19 Cb -0.12 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1wgs s TYR 19 CO 0.03 0.10 0.89 -0.51 -1.11 0.00 0.00 175.55 174.95 1wgs s LEU 20 N -3.33 4.04 -0.14 -1.29 2.01 -1.26 -1.36 118.68 117.35 1wgs s LEU 20 Ca 0.27 0.85 -0.07 0.00 0.01 0.00 0.00 54.13 55.19 1wgs s LEU 20 Cb 0.04 -3.25 -0.04 0.00 0.01 0.00 0.00 46.19 42.95 1wgs s LEU 20 CO 0.09 -0.69 0.09 0.00 1.01 0.00 0.00 176.35 176.85 1wgs s ARG 22 N -0.36 3.85 -0.12 0.00 3.52 0.67 -0.90 118.95 125.62 1wgs s ARG 22 Ca 0.10 2.30 -0.04 0.00 -0.13 0.00 0.00 55.73 57.96 1wgs s ARG 22 Cb -0.12 -2.73 0.06 0.00 -1.56 0.00 0.00 34.95 30.61 1wgs s ARG 22 CO 0.02 -0.64 0.22 1.03 -0.81 0.00 0.00 175.30 175.11 1wgs s ARG 23 N -2.32 0.10 -0.70 5.12 0.52 -1.22 -4.84 118.95 115.61 1wgs s ARG 23 Ca 0.58 0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 56.38 1wgs s ARG 23 Cb -0.41 -0.19 -0.12 0.00 0.52 0.00 0.00 34.95 34.74 1wgs s ARG 23 CO 0.53 -0.31 2.63 -0.35 0.02 0.00 0.00 175.30 177.82 1wgs n PRO 24 N 5.34 2.23 0.00 3.54 -0.04 -1.26 -3.50 135.00 141.32 1wgs n PRO 24 Ca -0.05 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1wgs n PRO 24 Cb 0.50 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 3.38 2.38 0.00 3.54 2.03 -1.26 -5.03 116.55 121.59 1wgs n ASP 25 Ca 0.48 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1wgs n ASP 25 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.66 0.00 -0.63 1.67 7.64 -1.23 -5.16 113.62 113.25 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 0.48 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.99 0.00 -2.17 0.44 -2.24 -1.25 -5.09 114.28 102.98 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 68.21 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 -6.12 3.52 0.01 4.78 0.52 -1.26 -3.45 118.94 116.94 1wgs s TRP 28 Ca 0.00 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.53 1wgs s TRP 28 Cb 0.00 -2.76 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 1wgs s TRP 28 CO 0.00 -0.51 -0.06 -1.01 0.02 0.00 0.00 176.95 175.39 1wgs s HIS 29 N -2.86 0.55 0.75 -1.98 3.76 -0.08 -4.92 115.29 110.51 1wgs s HIS 29 Ca 0.57 -0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 55.14 1wgs s HIS 29 Cb -0.10 -0.34 0.05 0.00 1.11 0.00 0.00 32.58 33.29 1wgs s HIS 29 CO 0.41 -0.03 1.19 -1.54 -0.85 0.00 0.00 174.74 173.92 1wgs s SER 30 N -0.51 4.12 -0.30 1.40 1.04 -1.26 -0.12 113.70 118.06 1wgs s SER 30 Ca -0.01 2.30 -0.14 0.00 0.48 0.00 0.00 55.95 58.58 1wgs s SER 30 Cb -0.04 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.65 1wgs s SER 30 CO -0.00 -2.31 0.92 0.00 0.98 0.00 0.00 173.24 172.83 1wgs s ALA 31 N -2.11 -2.58 0.11 5.32 0.00 -0.46 -4.10 121.76 117.93 1wgs s ALA 31 Ca 0.73 2.10 -0.30 0.00 0.00 0.00 0.00 51.96 54.48 1wgs s ALA 31 Cb -0.27 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.77 1wgs s ALA 31 CO 0.47 -0.97 1.21 -1.83 0.00 0.00 0.00 175.76 174.64 1wgs s GLU 32 N 2.56 4.45 -0.62 0.00 -1.05 -0.01 -1.64 118.70 122.39 1wgs s GLU 32 Ca -0.03 1.82 -0.28 0.00 -0.15 0.00 0.00 54.97 56.33 1wgs s GLU 32 Cb -0.07 -3.31 0.02 0.00 -0.44 0.00 0.00 34.13 30.33 1wgs s GLU 32 CO -0.18 -0.20 1.30 0.08 0.95 0.00 0.00 175.26 177.22 1wgs s VAL 33 N 0.67 3.84 0.01 1.83 1.01 -0.71 -0.12 120.40 126.93 1wgs s VAL 33 Ca 0.57 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.99 1wgs s VAL 33 Cb -0.31 -4.67 -0.13 0.00 0.00 0.00 0.00 36.38 31.27 1wgs s VAL 33 CO 0.32 -1.42 1.06 0.40 0.00 0.00 0.00 175.10 175.45 1wgs h ILE 34 N 6.21 0.00 -2.54 2.22 1.08 0.04 -2.90 117.51 121.63 1wgs h ILE 34 Ca -0.26 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.90 1wgs h ILE 34 Cb 1.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1wgs h ILE 34 CO 1.21 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.67 1wgs n GLN 35 N -4.94 0.28 -4.12 2.37 1.13 -1.22 -4.62 117.38 106.27 1wgs n GLN 35 Ca -0.10 -0.85 -0.09 0.00 -1.94 0.00 0.00 57.00 54.01 1wgs n GLN 35 Cb 0.33 0.90 -0.10 0.00 0.11 0.00 0.00 30.24 31.48 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 -1.70 0.80 0.28 1.08 1.04 -1.26 -1.67 113.70 112.27 1wgs s SER 36 Ca 0.08 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 1wgs s SER 36 Cb -0.01 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1wgs s SER 36 CO 0.06 -0.48 0.71 0.00 0.98 0.00 0.00 173.24 174.51 1wgs s ARG 37 N -3.51 1.78 0.04 4.02 1.70 -1.06 -4.98 118.95 116.94 1wgs s ARG 37 Ca 0.06 -1.00 0.09 0.00 -0.47 0.00 0.00 55.73 54.41 1wgs s ARG 37 Cb 0.04 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 35.00 1wgs s ARG 37 CO -0.06 -0.82 -0.26 0.08 -1.08 0.00 0.00 175.30 173.16 1wgs s VAL 38 N -3.92 2.11 -0.31 4.99 1.01 -1.26 -2.03 120.40 120.99 1wgs s VAL 38 Ca 0.11 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 1wgs s VAL 38 Cb -0.06 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1wgs s VAL 38 CO 0.07 0.39 0.11 0.20 0.00 0.00 0.00 175.10 175.88 1wgs s ASN 39 N -1.14 5.32 -0.10 3.32 -0.87 0.19 -4.97 114.94 116.69 1wgs s ASN 39 Ca 0.11 -0.73 -0.13 0.00 -1.57 0.00 0.00 52.86 50.54 1wgs s ASN 39 Cb -0.10 -1.93 -0.11 0.00 -0.02 0.00 0.00 41.25 39.10 1wgs s ASN 39 CO 0.02 -0.23 0.41 0.44 -2.57 0.00 0.00 177.10 175.17 1wgs h ASP 40 N 8.28 -0.07 -0.62 -1.22 5.19 -1.95 1.16 116.42 127.20 1wgs h ASP 40 Ca -0.30 -0.34 0.12 0.00 -0.62 0.00 0.00 57.03 55.89 1wgs h ASP 40 Cb 1.12 0.02 -0.12 0.00 0.18 0.00 0.00 39.33 40.53 1wgs h ASP 40 CO 0.61 0.58 -0.25 1.56 -3.12 0.00 0.00 179.24 178.62 1wgs h GLN 41 N -0.99 -0.09 0.19 3.56 1.08 -1.98 -1.91 115.11 114.98 1wgs h GLN 41 Ca -0.01 0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 56.94 1wgs h GLN 41 Cb 0.40 0.02 0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1wgs h GLN 41 CO 0.01 -0.06 -1.13 0.93 -0.95 0.00 0.00 178.83 177.64 1wgs h GLU 42 N -0.09 0.40 -1.60 1.46 4.39 -1.99 -3.49 114.58 113.67 1wgs h GLU 42 Ca 0.28 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1wgs h GLU 42 Cb 0.53 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1wgs h GLU 42 CO -0.68 1.33 0.00 0.41 -1.16 0.00 0.00 179.01 178.91 1wgs n GLY 43 N 1.70 0.53 3.60 -3.84 0.00 0.39 -5.08 105.19 102.49 1wgs n GLY 43 Ca -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.71 1.58 0.28 1.61 0.52 -0.33 -4.96 118.95 114.94 1wgs s ARG 44 Ca 0.00 -1.26 0.04 0.00 -0.52 0.00 0.00 55.73 54.00 1wgs s ARG 44 Cb 0.00 0.48 -0.03 0.00 0.52 0.00 0.00 34.95 35.92 1wgs s ARG 44 CO 0.00 -0.66 0.42 -1.21 0.02 0.00 0.00 175.30 173.86 1wgs s GLU 45 N -3.96 3.39 0.25 3.54 2.02 -1.26 0.56 118.70 123.24 1wgs s GLU 45 Ca 0.22 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 54.35 1wgs s GLU 45 Cb -0.01 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1wgs s GLU 45 CO 0.09 0.31 0.53 -1.21 0.02 0.00 0.00 175.26 175.00 1wgs s GLU 46 N -4.08 1.58 -0.22 1.61 2.02 -0.86 -4.55 118.70 114.21 1wgs s GLU 46 Ca 0.37 -1.18 -0.09 0.00 0.02 0.00 0.00 54.97 54.09 1wgs s GLU 46 Cb -0.09 0.50 0.09 0.00 0.10 0.00 0.00 34.13 34.73 1wgs s GLU 46 CO 0.31 -0.67 0.48 -0.06 0.02 0.00 0.00 175.26 175.33 1wgs s PHE 47 N -3.99 -0.87 -0.83 1.61 0.40 0.83 -2.55 117.98 112.59 1wgs s PHE 47 Ca 0.19 1.66 -0.25 0.00 -0.60 0.00 0.00 56.93 57.93 1wgs s PHE 47 Cb -0.02 0.41 -0.00 0.00 0.51 0.00 0.00 43.02 43.92 1wgs s PHE 47 CO 0.08 -0.48 1.68 -0.47 0.70 0.00 0.00 175.22 176.73 1wgs s TYR 48 N 2.28 2.03 0.03 0.36 5.04 -0.67 -0.26 117.35 126.16 1wgs s TYR 48 Ca -0.05 0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 54.70 1wgs s TYR 48 Cb -0.10 -4.32 -0.05 0.00 0.35 0.00 0.00 41.96 37.83 1wgs s TYR 48 CO -0.14 -2.00 0.30 0.14 -1.34 0.00 0.00 175.55 172.51 1wgs s VAL 49 N 7.79 5.26 -0.17 3.14 -7.23 -1.24 0.79 120.40 128.73 1wgs s VAL 49 Ca 0.57 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.92 1wgs s VAL 49 Cb -0.07 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.29 1wgs s VAL 49 CO 0.05 0.32 -0.16 -2.28 -0.31 0.00 0.00 175.10 172.72 1wgs s HIS 50 N -1.35 2.80 -0.90 2.82 2.46 0.82 -3.99 115.29 117.95 1wgs s HIS 50 Ca 0.30 -1.29 -0.24 0.00 0.47 0.00 0.00 55.06 54.29 1wgs s HIS 50 Cb -0.13 -1.93 -0.02 0.00 -0.13 0.00 0.00 32.58 30.37 1wgs s HIS 50 CO 0.18 -0.64 1.79 0.71 -2.47 0.00 0.00 174.74 174.31 1wgs s TYR 51 N 1.12 1.99 0.08 3.88 2.02 -1.26 -0.83 117.35 124.35 1wgs s TYR 51 Ca 0.01 0.27 -0.31 0.00 -0.37 0.00 0.00 57.07 56.66 1wgs s TYR 51 Cb -0.14 -4.23 -0.07 0.00 -0.40 0.00 0.00 41.96 37.12 1wgs s TYR 51 CO -0.06 -1.86 1.30 0.14 -1.57 0.00 0.00 175.55 173.50 1wgs s VAL 52 N 8.59 3.70 0.00 0.71 -7.23 -1.26 -3.03 120.40 121.88 1wgs s VAL 52 Ca 0.63 1.21 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 1wgs s VAL 52 Cb -0.06 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1wgs s VAL 52 CO -0.00 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1wgs n GLY 53 N 3.37 1.23 1.72 2.32 0.00 -1.26 -4.88 105.19 107.70 1wgs n GLY 53 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.30 -1.34 0.00 1.61 3.01 -1.17 -5.15 117.46 112.12 1wgs n PHE 54 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.70 1wgs n PHE 54 Cb 0.23 0.40 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 1wgs n PHE 54 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wgs n ASN 55 N -3.25 0.00 -0.51 4.37 5.15 -1.26 -4.98 115.26 114.79 1wgs n ASN 55 Ca 0.00 0.00 0.44 0.00 -0.60 0.00 0.00 54.58 54.42 1wgs n ASN 55 Cb 0.04 0.00 0.75 0.00 -0.53 0.00 0.00 39.78 40.04 1wgs n ASN 55 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1wgs h ARG 56 N 0.00 0.00 0.00 1.20 9.65 -2.01 -3.39 114.38 119.83 1wgs h ARG 56 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1wgs h ARG 56 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1wgs h ARG 56 CO 0.00 0.00 0.00 2.89 2.80 0.00 0.00 179.97 185.66 1wgs n ARG 57 N -3.89 0.94 -2.42 0.20 1.85 -1.26 -4.78 116.66 107.30 1wgs n ARG 57 Ca 0.35 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.13 1wgs n ARG 57 Cb 1.69 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 33.14 1wgs n ARG 57 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1wgs n LEU 58 N 0.00 -3.18 -4.20 2.89 4.77 -1.26 -4.74 117.00 111.29 1wgs n LEU 58 Ca 0.00 -0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.36 1wgs n LEU 58 Cb 0.00 -1.62 -0.15 0.00 -2.33 0.00 0.00 43.42 39.32 1wgs n LEU 58 CO 0.00 0.10 -0.45 -1.81 -1.33 0.00 0.00 177.39 173.91 1wgs s ASP 59 N -3.38 3.87 -0.13 -1.43 1.01 -1.26 -4.11 116.67 111.25 1wgs s ASP 59 Ca 0.09 -0.67 -0.17 0.00 0.71 0.00 0.00 52.55 52.52 1wgs s ASP 59 Cb -0.01 -1.61 0.04 0.00 1.01 0.00 0.00 42.92 42.35 1wgs s ASP 59 CO 0.31 -0.05 0.44 -1.83 0.21 0.00 0.00 175.17 174.24 1wgs s GLU 60 N 1.35 0.59 -0.03 8.23 -1.05 -1.26 -5.07 118.70 121.46 1wgs s GLU 60 Ca 0.03 0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 54.98 1wgs s GLU 60 Cb -0.15 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1wgs s GLU 60 CO -0.07 -0.11 1.44 -1.58 0.95 0.00 0.00 175.26 175.89 1wgs s TRP 61 N -0.19 2.68 0.44 4.83 0.52 -1.26 -3.63 118.94 122.33 1wgs s TRP 61 Ca -0.04 0.71 0.08 0.00 0.02 0.00 0.00 56.10 56.88 1wgs s TRP 61 Cb -0.03 -3.70 0.02 0.00 -1.15 0.00 0.00 33.47 28.61 1wgs s TRP 61 CO 0.02 -2.65 0.56 0.14 0.02 0.00 0.00 176.95 175.05 1wgs s VAL 62 N 2.85 2.81 0.35 4.03 -7.23 0.63 -4.75 120.40 119.10 1wgs s VAL 62 Ca 0.65 -1.07 0.07 0.00 -1.81 0.00 0.00 61.98 59.82 1wgs s VAL 62 Cb -0.31 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1wgs s VAL 62 CO 0.26 0.00 0.39 -1.81 -0.31 0.00 0.00 175.10 173.62 1wgs s ASP 63 N -4.35 5.51 0.48 4.85 1.01 -1.26 -0.12 116.67 122.79 1wgs s ASP 63 Ca 0.54 -0.42 0.18 0.00 0.71 0.00 0.00 52.55 53.56 1wgs s ASP 63 Cb -0.08 -0.98 1.17 0.00 1.01 0.00 0.00 42.92 44.05 1wgs s ASP 63 CO 0.33 -0.45 2.05 0.11 0.21 0.00 0.00 175.17 177.41 1wgs h LYS 64 N 1.05 0.00 0.01 8.23 1.57 -1.93 -1.35 116.57 124.15 1wgs h LYS 64 Ca -0.44 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.09 1wgs h LYS 64 Cb 1.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.58 1wgs h LYS 64 CO 0.55 0.14 -0.99 -0.91 -0.57 0.00 0.00 179.45 177.66 1wgs h ASN 65 N 0.00 0.68 0.39 0.86 4.21 -1.96 -3.04 115.58 116.72 1wgs h ASN 65 Ca -0.00 -0.55 -0.02 0.00 1.21 0.00 0.00 56.30 56.94 1wgs h ASN 65 Cb 0.26 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1wgs h ASN 65 CO 0.02 1.35 -0.09 0.03 -1.29 0.00 0.00 177.43 177.45 1wgs h ARG 66 N 0.29 0.00 -6.97 0.81 3.08 -1.66 -3.43 114.38 106.50 1wgs h ARG 66 Ca -0.10 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.49 1wgs h ARG 66 Cb 1.64 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.75 1wgs h ARG 66 CO 0.18 0.09 0.03 -0.51 -1.07 0.00 0.00 179.97 178.69 1wgs s LEU 67 N -7.03 3.10 -0.43 3.04 1.43 -0.79 -0.24 118.68 117.76 1wgs s LEU 67 Ca -0.03 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1wgs s LEU 67 Cb 0.13 -2.30 0.07 0.00 0.03 0.00 0.00 46.19 44.12 1wgs s LEU 67 CO 0.56 -1.54 0.29 0.00 0.23 0.00 0.00 176.35 175.89 1wgs s ALA 68 N -2.96 3.37 -0.39 4.21 0.00 -0.62 -4.91 121.76 120.46 1wgs s ALA 68 Ca 0.62 -2.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1wgs s ALA 68 Cb -0.07 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.38 1wgs s ALA 68 CO 0.42 -1.64 0.17 -0.51 0.00 0.00 0.00 175.76 174.20 1wgs s LEU 69 N 1.51 5.08 0.28 0.00 1.43 -1.26 -4.73 118.68 120.98 1wgs s LEU 69 Ca 0.03 -1.97 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 1wgs s LEU 69 Cb -0.23 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wgs s LEU 69 CO 0.04 -0.50 0.00 0.41 0.23 0.00 0.00 176.35 176.53 1wgs n THR 70 N 4.56 -0.06 0.29 5.49 -1.04 -1.26 -3.90 114.28 118.37 1wgs n THR 70 Ca -0.03 0.30 0.16 0.00 -2.04 0.00 0.00 64.05 62.44 1wgs n THR 70 Cb 0.42 -0.57 0.81 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.77 0.00 -0.91 -2.82 2.10 -2.04 -2.54 116.57 109.58 1wgs h LYS 71 Ca -0.06 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.69 1wgs h LYS 71 Cb 0.75 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.96 1wgs h LYS 71 CO 0.03 0.00 -0.51 2.41 -2.00 0.00 0.00 179.45 179.38 1wgs n THR 72 N -3.06 -0.60 -4.62 0.07 -1.04 -1.25 -4.41 114.28 99.37 1wgs n THR 72 Ca -0.00 2.20 -0.27 0.00 -2.04 0.00 0.00 64.05 63.93 1wgs n THR 72 Cb 0.42 -2.75 -0.14 0.00 -1.82 0.00 0.00 70.33 66.04 1wgs n THR 72 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1wgs s VAL 73 N -5.53 1.93 0.00 12.58 -7.23 -0.96 -4.96 120.40 116.23 1wgs s VAL 73 Ca -0.11 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1wgs s VAL 73 Cb 0.12 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1wgs s VAL 73 CO 0.58 0.19 0.00 0.29 -0.31 0.00 0.00 175.10 175.85 1wgs n LYS 74 N 1.53 0.00 -1.74 4.82 4.76 -1.26 -4.22 118.16 122.04 1wgs n LYS 74 Ca -0.18 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.26 1wgs n LYS 74 Cb 0.53 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.71 1wgs n LYS 74 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1wgs n ASP 75 N 0.00 -2.39 -2.75 4.39 -0.08 -1.26 -4.86 116.55 109.59 1wgs n ASP 75 Ca 0.00 0.30 0.02 0.00 -1.51 0.00 0.00 54.79 53.59 1wgs n ASP 75 Cb 0.00 -1.91 0.01 0.00 2.34 0.00 0.00 41.12 41.55 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgs s ALA 76 N -0.24 -4.52 -0.13 -1.67 0.00 -1.26 -4.81 121.76 109.14 1wgs s ALA 76 Ca -0.03 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1wgs s ALA 76 Cb 0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.02 1wgs s ALA 76 CO 0.17 -2.51 -0.14 0.28 0.00 0.00 0.00 175.76 173.56 1wgs n VAL 77 N 3.64 0.74 -4.41 0.00 0.31 -1.26 -4.93 118.33 112.42 1wgs n VAL 77 Ca 0.05 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.89 1wgs n VAL 77 Cb 0.64 -1.27 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 1wgs n VAL 77 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wgs s GLN 78 N -2.25 2.00 0.00 5.55 -0.21 -1.26 -4.78 119.66 118.71 1wgs s GLN 78 Ca -0.18 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.36 1wgs s GLN 78 Cb 0.06 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.23 1wgs s GLN 78 CO 0.27 0.10 0.00 1.63 -2.12 0.00 0.00 175.29 175.17 1wgs n LYS 79 N -0.93 0.00 -1.34 2.91 5.02 -1.26 -4.89 118.16 117.67 1wgs n LYS 79 Ca -0.04 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.41 1wgs n LYS 79 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.57 1wgs n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wgs n ASN 80 N 2.54 -7.43 -4.47 4.39 4.13 -1.26 -4.67 115.26 108.49 1wgs n ASN 80 Ca 0.00 1.03 -0.55 0.00 1.68 0.00 0.00 54.58 56.74 1wgs n ASN 80 Cb 0.00 -4.42 -0.06 0.00 -1.54 0.00 0.00 39.78 33.76 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wgs n SER 81 N -4.28 -0.30 -4.63 6.41 2.88 -1.26 -4.70 113.62 107.74 1wgs n SER 81 Ca -0.05 1.15 -0.47 0.00 -1.33 0.00 0.00 58.87 58.17 1wgs n SER 81 Cb 0.65 -0.95 -0.04 0.00 -0.75 0.00 0.00 64.21 63.11 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 1.37 2.09 -0.01 -1.46 1.02 -1.26 -4.82 120.64 117.57 1wgs n GLU 82 Ca 0.19 0.71 -0.02 0.00 -0.02 0.00 0.00 57.16 58.03 1wgs n GLU 82 Cb 0.14 -2.81 -0.01 0.00 -0.02 0.00 0.00 31.44 28.75 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 7.48 0.11 -0.38 3.49 4.81 -1.26 -4.74 118.16 127.67 1wgs n LYS 83 Ca 0.26 0.04 -0.02 0.00 -0.87 0.00 0.00 58.31 57.73 1wgs n LYS 83 Cb 0.34 -0.54 0.03 0.00 0.02 0.00 0.00 35.03 34.87 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 -3.13 -0.01 -4.73 5.64 9.36 -1.26 -4.59 117.16 118.44 1wgs n TYR 84 Ca -0.03 1.19 -0.32 0.00 3.32 0.00 0.00 57.90 62.06 1wgs n TYR 84 Cb 0.11 -0.84 -0.08 0.00 -0.63 0.00 0.00 39.34 37.90 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 -10.81 2.41 -0.47 2.98 2.96 -1.26 -4.92 118.68 109.57 1wgs s LEU 85 Ca -0.13 -1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 52.10 1wgs s LEU 85 Cb 0.19 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 46.13 1wgs s LEU 85 CO 0.68 -0.77 0.53 -1.20 -1.32 0.00 0.00 176.35 174.27 1wgs n SER 86 N -1.20 -6.92 -3.61 3.68 7.64 -1.26 -4.74 113.62 107.21 1wgs n SER 86 Ca -0.16 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 1wgs n SER 86 Cb 0.67 -4.65 -0.05 0.00 -1.01 0.00 0.00 64.21 59.17 1wgs n SER 86 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wgs s GLU 87 N -2.62 0.55 0.08 1.43 2.12 -1.26 -4.73 118.70 114.27 1wgs s GLU 87 Ca 0.12 1.17 -0.02 0.00 0.36 0.00 0.00 54.97 56.60 1wgs s GLU 87 Cb -0.03 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 1wgs s GLU 87 CO 0.63 -0.15 0.02 -0.51 -0.54 0.00 0.00 175.26 174.72 1wgs s LEU 88 N 2.23 2.14 0.00 2.70 1.43 -1.26 -5.17 118.68 120.75 1wgs s LEU 88 Ca -0.07 -1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1wgs s LEU 88 Cb -0.08 0.33 0.00 0.00 0.03 0.00 0.00 46.19 46.48 1wgs s LEU 88 CO -0.19 -0.66 0.09 0.00 0.23 0.00 0.00 176.35 175.83 1wgs n ALA 89 N 0.03 -0.15 -1.55 4.21 0.00 -1.26 -5.07 120.51 116.72 1wgs n ALA 89 Ca -0.11 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 1wgs n ALA 89 Cb 0.62 0.18 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 1wgs n ALA 89 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wgs n GLU 90 N -0.08 0.69 -1.09 0.00 4.07 -1.26 -4.90 120.64 118.07 1wgs n GLU 90 Ca -0.01 -0.41 -0.33 0.00 -0.06 0.00 0.00 57.16 56.35 1wgs n GLU 90 Cb 0.09 -3.31 0.13 0.00 -0.06 0.00 0.00 31.44 28.29 1wgs n GLU 90 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wgs n GLN 91 N 8.66 0.16 -1.51 5.31 10.64 -1.26 -5.01 117.38 134.37 1wgs n GLN 91 Ca 0.45 0.13 -0.30 0.00 -1.83 0.00 0.00 57.00 55.45 1wgs n GLN 91 Cb 0.44 -2.43 0.22 0.00 -0.86 0.00 0.00 30.24 27.60 1wgs n GLN 91 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1wgs s PRO 92 N -4.13 -0.34 0.27 2.61 0.04 -1.26 -5.10 135.00 127.09 1wgs s PRO 92 Ca 0.73 -0.26 0.03 0.00 0.04 0.00 0.00 61.00 61.54 1wgs s PRO 92 Cb -0.29 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1wgs s PRO 92 CO 0.51 -3.09 0.05 -1.21 0.04 0.00 0.00 177.00 173.30 1wgs s GLU 93 N -5.67 1.45 0.60 4.56 2.02 -1.26 -5.17 118.70 115.24 1wgs s GLU 93 Ca 0.73 -1.78 0.05 0.00 0.02 0.00 0.00 54.97 53.99 1wgs s GLU 93 Cb -0.06 -0.55 0.09 0.00 0.10 0.00 0.00 34.13 33.70 1wgs s GLU 93 CO 0.54 -0.20 0.83 1.03 0.02 0.00 0.00 175.26 177.49 1wgs s ARG 94 N -3.94 2.18 -0.02 1.61 1.81 -1.26 -5.12 118.95 114.22 1wgs s ARG 94 Ca 0.34 -1.33 0.07 0.00 -1.72 0.00 0.00 55.73 53.09 1wgs s ARG 94 Cb 0.07 -2.54 -0.02 0.00 -0.45 0.00 0.00 34.95 32.01 1wgs s ARG 94 CO 0.12 -0.97 -0.24 -1.59 -0.68 0.00 0.00 175.30 171.95 1wgs s LYS 95 N -4.80 2.14 0.99 3.54 0.00 -1.26 -5.13 119.74 115.23 1wgs s LYS 95 Ca 0.62 -0.91 -0.14 0.00 0.00 0.00 0.00 55.97 55.54 1wgs s LYS 95 Cb -0.07 -2.10 0.18 0.00 0.00 0.00 0.00 37.83 35.84 1wgs s LYS 95 CO 0.40 0.57 1.14 -1.50 0.00 0.00 0.00 175.35 175.96 1wgs s ILE 96 N -0.67 1.93 -0.12 3.79 2.07 -1.26 -5.07 121.20 121.87 1wgs s ILE 96 Ca 0.11 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1wgs s ILE 96 Cb -0.10 -2.68 0.06 0.00 0.13 0.00 0.00 42.46 39.87 1wgs s ILE 96 CO -0.00 0.00 0.20 0.28 -1.91 0.00 0.00 174.94 173.51 1wgs s THR 97 N -3.23 -0.31 0.17 4.00 -1.32 -1.26 -5.15 115.64 108.53 1wgs s THR 97 Ca 0.66 0.23 -0.00 0.00 -1.21 0.00 0.00 61.69 61.37 1wgs s THR 97 Cb -0.14 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1wgs s THR 97 CO 0.55 0.06 0.06 0.00 -2.21 0.00 0.00 174.62 173.08 1wgs s ARG 98 N 2.33 1.08 0.27 7.08 1.70 -1.26 -5.17 118.95 124.98 1wgs s ARG 98 Ca 0.03 -1.54 -0.20 0.00 -0.47 0.00 0.00 55.73 53.56 1wgs s ARG 98 Cb -0.13 0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.34 1wgs s ARG 98 CO -0.08 -0.26 0.67 0.54 -1.08 0.00 0.00 175.30 175.09 1wgs s ASN 99 N -3.13 -0.24 0.11 -2.89 4.22 -1.26 -5.19 114.94 106.57 1wgs s ASN 99 Ca 0.29 -0.65 -0.26 0.00 -2.14 0.00 0.00 52.86 50.09 1wgs s ASN 99 Cb 0.07 0.70 0.08 0.00 1.28 0.00 0.00 41.25 43.38 1wgs s ASN 99 CO 0.06 -1.30 1.01 0.00 -2.04 0.00 0.00 177.10 174.83 1wgs s GLN 100 N -3.93 1.03 -0.29 3.55 -2.07 -1.26 -5.17 119.66 111.51 1wgs s GLN 100 Ca 0.13 -0.56 -0.16 0.00 -1.82 0.00 0.00 55.36 52.95 1wgs s GLN 100 Cb -0.05 0.36 0.17 0.00 -1.09 0.00 0.00 33.01 32.39 1wgs s GLN 100 CO 0.07 -0.47 1.06 0.21 -1.32 0.00 0.00 175.29 174.84 1wgs s LYS 101 N -3.12 0.27 -0.04 9.60 2.47 -1.26 -5.18 119.74 122.48 1wgs s LYS 101 Ca 0.12 0.51 -0.15 0.00 -1.56 0.00 0.00 55.97 54.88 1wgs s LYS 101 Cb -0.00 0.11 0.03 0.00 -1.46 0.00 0.00 37.83 36.51 1wgs s LYS 101 CO 0.01 -0.06 0.35 0.50 0.16 0.00 0.00 175.35 176.30 1wgs s ARG 102 N 1.47 0.64 0.09 4.03 3.00 -1.26 -5.17 118.95 121.75 1wgs s ARG 102 Ca -0.07 -0.01 -0.26 0.00 -1.00 0.00 0.00 55.73 54.39 1wgs s ARG 102 Cb -0.04 0.29 0.08 0.00 0.00 0.00 0.00 34.95 35.29 1wgs s ARG 102 CO -0.14 -0.16 0.74 -1.59 0.00 0.00 0.00 175.30 174.14 1wgs s LYS 103 N -0.99 1.08 -0.12 5.12 -2.85 -1.26 -5.18 119.74 115.54 1wgs s LYS 103 Ca -0.11 -0.41 -0.31 0.00 -1.00 0.00 0.00 55.97 54.15 1wgs s LYS 103 Cb -0.04 0.49 0.12 0.00 -2.06 0.00 0.00 37.83 36.34 1wgs s LYS 103 CO 0.04 -0.47 1.04 -3.38 0.10 0.00 0.00 175.35 172.67 1wgs s HIS 104 N -3.46 -0.27 0.00 1.78 -3.43 -1.26 -5.19 115.29 103.47 1wgs s HIS 104 Ca 0.03 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 1wgs s HIS 104 Cb -0.01 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1wgs s HIS 104 CO -0.11 -0.36 0.00 -0.25 -2.00 0.00 0.00 174.74 172.02 1wgs n ASP 105 N 0.10 0.00 -3.66 7.38 9.92 -1.26 -5.17 116.55 123.85 1wgs n ASP 105 Ca -0.06 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.10 1wgs n ASP 105 Cb 0.60 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.99 1wgs n ASP 105 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1wgs s GLU 106 N -2.00 0.65 0.98 -1.24 2.12 -1.26 -5.17 118.70 112.78 1wgs s GLU 106 Ca 0.00 1.01 -0.15 0.00 0.36 0.00 0.00 54.97 56.19 1wgs s GLU 106 Cb 0.00 0.18 0.18 0.00 0.26 0.00 0.00 34.13 34.75 1wgs s GLU 106 CO 0.00 -0.13 1.17 0.96 -0.54 0.00 0.00 175.26 176.72 1wgs s ILE 107 N 1.13 1.92 0.03 -3.70 -5.25 -1.26 -5.09 121.20 108.98 1wgs s ILE 107 Ca -0.06 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.31 1wgs s ILE 107 Cb -0.05 -2.75 0.10 0.00 2.95 0.00 0.00 42.46 42.70 1wgs s ILE 107 CO -0.11 0.00 1.02 0.54 -1.79 0.00 0.00 174.94 174.60 1wgs s ASN 108 N -4.20 -0.21 0.28 4.36 4.22 -1.26 -5.19 114.94 112.95 1wgs s ASN 108 Ca 0.67 -0.18 -0.19 0.00 -2.14 0.00 0.00 52.86 51.02 1wgs s ASN 108 Cb -0.11 0.36 0.06 0.00 1.28 0.00 0.00 41.25 42.83 1wgs s ASN 108 CO 0.54 -0.63 0.87 -1.38 -2.04 0.00 0.00 177.10 174.47 1wgs s HIS 109 N -2.98 0.03 0.33 1.54 -3.43 -1.26 -5.18 115.29 104.34 1wgs s HIS 109 Ca 0.10 -0.55 0.09 0.00 -0.80 0.00 0.00 55.06 53.89 1wgs s HIS 109 Cb -0.00 0.76 -0.05 0.00 -1.43 0.00 0.00 32.58 31.86 1wgs s HIS 109 CO -0.03 -1.25 0.08 0.54 -2.00 0.00 0.00 174.74 172.08 1wgs s VAL 110 N -2.61 3.00 0.78 -5.38 0.11 -1.26 -5.13 120.40 109.92 1wgs s VAL 110 Ca 0.16 -1.81 -0.13 0.00 -2.93 0.00 0.00 61.98 57.28 1wgs s VAL 110 Cb -0.04 -2.91 0.20 0.00 -1.53 0.00 0.00 36.38 32.10 1wgs s VAL 110 CO 0.08 -0.22 0.45 0.00 -3.33 0.00 0.00 175.10 172.08 1wgs n GLN 111 N -1.05 -3.38 0.00 1.54 6.02 -1.26 -5.07 117.38 114.19 1wgs n GLN 111 Ca -0.04 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 1wgs n GLN 111 Cb 0.61 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.86 1wgs n GLN 111 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1wgs n LYS 112 N -3.87 0.00 -1.74 -1.09 0.00 -1.26 -5.18 118.16 105.02 1wgs n LYS 112 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1wgs n LYS 112 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.34 1wgs n LYS 112 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1wgs n THR 113 N 0.00 0.00 -3.72 3.15 5.66 -1.26 -5.19 114.28 112.91 1wgs n THR 113 Ca 0.00 -0.01 0.01 0.00 -3.05 0.00 0.00 64.05 61.00 1wgs n THR 113 Cb 0.00 0.01 -0.00 0.00 -1.55 0.00 0.00 70.33 68.79 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 -4.08 -0.03 -0.31 1.09 -0.85 -1.26 -5.14 117.35 106.77 1wgs s TYR 114 Ca 0.01 -0.12 -0.08 0.00 -0.52 0.00 0.00 57.07 56.35 1wgs s TYR 114 Cb -0.00 0.57 0.19 0.00 0.38 0.00 0.00 41.96 43.10 1wgs s TYR 114 CO 0.00 -0.39 0.99 0.00 -1.52 0.00 0.00 175.55 174.64 1wgs s ALA 115 N -2.43 -3.96 -0.56 9.51 0.00 -1.26 -5.11 121.76 117.95 1wgs s ALA 115 Ca 0.17 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1wgs s ALA 115 Cb 0.03 -2.86 0.14 0.00 0.00 0.00 0.00 23.12 20.42 1wgs s ALA 115 CO -0.02 -2.20 0.32 -1.21 0.00 0.00 0.00 175.76 172.65 1wgs s GLU 116 N 2.61 2.16 0.41 0.00 2.02 -1.26 -5.08 118.70 119.56 1wgs s GLU 116 Ca 0.22 -2.68 0.07 0.00 0.02 0.00 0.00 54.97 52.60 1wgs s GLU 116 Cb -0.01 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1wgs s GLU 116 CO -0.20 -1.14 0.24 -1.64 0.02 0.00 0.00 175.26 172.54 1wgs s MET 117 N -0.37 2.31 0.43 1.61 -1.94 -1.26 -5.11 119.30 114.97 1wgs s MET 117 Ca 0.18 -1.76 -0.23 0.00 -1.71 0.00 0.00 55.69 52.17 1wgs s MET 117 Cb -0.23 -2.09 -0.08 0.00 2.01 0.00 0.00 34.83 34.43 1wgs s MET 117 CO -0.02 -0.14 1.09 -0.51 -0.01 0.00 0.00 175.02 175.43 1wgs s ASP 118 N -3.97 6.51 -0.04 3.03 1.11 -1.26 -5.00 116.67 117.05 1wgs s ASP 118 Ca 0.43 2.13 -0.06 0.00 0.18 0.00 0.00 52.55 55.23 1wgs s ASP 118 Cb 0.02 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 1wgs s ASP 118 CO 0.24 -0.67 0.34 1.55 1.18 0.00 0.00 175.17 177.81 1wgs h PRO 119 N 2.27 -0.22 -1.83 8.23 0.13 -2.04 -3.49 132.00 135.05 1wgs h PRO 119 Ca -0.49 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1wgs h PRO 119 Cb 1.23 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 32.20 1wgs h PRO 119 CO 0.61 -0.15 0.33 -0.08 -0.23 0.00 0.00 178.00 178.48 1wgs s THR 120 N -2.28 0.00 -0.03 1.56 -1.32 -1.26 -5.18 115.64 107.13 1wgs s THR 120 Ca -0.03 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.15 1wgs s THR 120 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1wgs s THR 120 CO 0.10 0.00 0.65 0.28 -2.21 0.00 0.00 174.62 173.44 1wgs s THR 121 N -1.11 0.00 -0.06 5.08 -1.32 -1.26 -5.18 115.64 111.79 1wgs s THR 121 Ca -0.07 -0.03 -0.32 0.00 -1.21 0.00 0.00 61.69 60.06 1wgs s THR 121 Cb -0.00 -0.98 0.13 0.00 -1.51 0.00 0.00 72.50 70.14 1wgs s THR 121 CO 0.06 -0.02 1.34 0.00 -2.21 0.00 0.00 174.62 173.79 1wgs s ALA 122 N -1.47 -2.32 0.04 11.08 0.00 -1.26 -5.19 121.76 122.66 1wgs s ALA 122 Ca -0.10 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1wgs s ALA 122 Cb -0.00 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1wgs s ALA 122 CO 0.07 -1.01 0.01 0.00 0.00 0.00 0.00 175.76 174.83 1wgs n ALA 123 N -0.45 0.05 -2.00 0.00 0.00 -1.26 -5.15 120.51 111.69 1wgs n ALA 123 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1wgs n ALA 123 Cb 0.63 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -3.84 0.00 -0.00 -1.26 -5.18 117.00 106.72 1wgs n LEU 124 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.01 1wgs n LEU 124 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.48 1wgs n LEU 124 CO 0.03 0.00 1.05 -1.83 -0.00 0.00 0.00 177.39 176.64 1wgs s GLU 125 N 1.96 0.49 -0.28 1.47 -1.05 -1.26 -5.17 118.70 114.86 1wgs s GLU 125 Ca 0.00 -0.31 -0.19 0.00 -0.15 0.00 0.00 54.97 54.33 1wgs s GLU 125 Cb 0.00 0.15 0.10 0.00 -0.44 0.00 0.00 34.13 33.94 1wgs s GLU 125 CO 0.00 -0.23 0.83 -1.59 0.95 0.00 0.00 175.26 175.22 1wgs s LYS 126 N -2.20 0.60 -0.30 -4.83 -2.85 -1.26 -5.14 119.74 103.76 1wgs s LYS 126 Ca 0.23 0.92 -0.13 0.00 -1.00 0.00 0.00 55.97 55.99 1wgs s LYS 126 Cb 0.01 0.18 0.18 0.00 -2.06 0.00 0.00 37.83 36.14 1wgs s LYS 126 CO -0.01 -0.11 1.08 -2.00 0.10 0.00 0.00 175.35 174.41 1wgs s GLU 127 N 1.13 0.15 0.32 1.78 2.12 -1.26 -5.17 118.70 117.76 1wgs s GLU 127 Ca -0.06 0.21 0.08 0.00 0.36 0.00 0.00 54.97 55.57 1wgs s GLU 127 Cb -0.05 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 1wgs s GLU 127 CO -0.13 -0.20 0.14 -1.12 -0.54 0.00 0.00 175.26 173.41 1wgs s SER 128 N 2.96 4.76 -0.30 -1.70 0.01 -1.26 -5.13 113.70 113.04 1wgs s SER 128 Ca 0.08 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.49 1wgs s SER 128 Cb -0.07 -0.80 0.15 0.00 0.21 0.00 0.00 66.02 65.51 1wgs s SER 128 CO -0.15 -0.25 0.95 -0.83 0.41 0.00 0.00 173.24 173.37 1wgs s GLY 129 N -3.83 -0.17 0.00 3.44 0.00 -1.26 -5.18 107.32 100.32 1wgs s GLY 129 Ca 0.37 3.02 0.00 0.00 0.00 0.00 0.00 44.72 48.10 1wgs s GLY 129 CO 0.23 2.94 0.00 -1.55 0.00 0.00 0.00 173.10 174.72 1wgs n PRO 130 N 4.48 -0.47 -4.03 2.90 -0.04 -1.26 -5.11 135.00 131.47 1wgs n PRO 130 Ca -0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1wgs n PRO 130 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.25 0.16 0.40 3.54 0.15 -1.26 -5.13 113.70 110.30 1wgs s SER 131 Ca 0.00 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.54 1wgs s SER 131 Cb 0.00 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1wgs s SER 131 CO 0.00 -1.17 0.00 -0.24 1.20 0.00 0.00 173.24 173.03 1wgs n SER 132 N -0.64 -5.19 0.00 5.45 2.88 -1.26 -5.39 113.62 109.48 1wgs n SER 132 Ca -0.01 1.05 0.16 0.00 -1.33 0.00 0.00 58.87 58.74 1wgs n SER 132 Cb 0.62 -3.09 0.95 0.00 -0.75 0.00 0.00 64.21 61.94 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42