#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs s SER 2 N 0.00 4.68 -0.07 1.61 0.15 -1.26 -4.93 113.70 113.88 1wgs s SER 2 Ca 0.00 -3.56 -0.01 0.00 0.70 0.00 0.00 55.95 53.08 1wgs s SER 2 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1wgs s SER 2 CO 0.00 -0.14 0.02 -1.54 1.20 0.00 0.00 173.24 172.78 1wgs n SER 3 N 2.38 -6.55 -3.00 5.45 3.41 -1.26 -4.28 113.62 109.77 1wgs n SER 3 Ca 0.15 0.80 -0.08 0.00 -0.26 0.00 0.00 58.87 59.47 1wgs n SER 3 Cb 0.34 -2.51 0.01 0.00 -0.26 0.00 0.00 64.21 61.79 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgs n GLY 4 N 1.55 -1.79 3.53 5.00 0.00 -1.26 -4.81 105.19 107.42 1wgs n GLY 4 Ca -0.04 0.62 -0.43 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.64 6.74 0.09 1.61 0.15 -1.26 -4.51 113.70 114.89 1wgs s SER 5 Ca 0.11 -2.17 0.00 0.00 0.70 0.00 0.00 55.95 54.60 1wgs s SER 5 Cb -0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wgs s SER 5 CO 0.58 -1.19 0.00 -0.24 1.20 0.00 0.00 173.24 173.59 1wgs n SER 6 N 7.80 0.74 0.00 5.45 2.88 -1.26 -5.04 113.62 124.19 1wgs n SER 6 Ca 0.38 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wgs n SER 6 Cb 0.47 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1wgs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgs n GLY 7 N 3.19 0.39 3.03 0.46 0.00 -1.26 -5.12 105.19 105.88 1wgs n GLY 7 Ca 0.00 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wgs n GLU 8 N 0.00 0.00 -1.54 1.61 0.28 -1.26 -4.91 120.64 114.81 1wgs n GLU 8 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1wgs n GLU 8 Cb 0.00 -0.95 0.11 0.00 1.43 0.00 0.00 31.44 32.02 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 -1.23 1.75 -0.01 3.44 0.04 -1.26 -5.07 135.00 132.66 1wgs s PRO 9 Ca 0.50 0.52 0.06 0.00 0.04 0.00 0.00 61.00 62.11 1wgs s PRO 9 Cb -0.39 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1wgs s PRO 9 CO 0.68 -1.83 -0.17 -1.83 0.04 0.00 0.00 177.00 173.89 1wgs s GLU 10 N -5.20 2.28 0.44 4.56 -1.05 -1.26 -5.13 118.70 113.33 1wgs s GLU 10 Ca 0.62 -0.84 0.06 0.00 -0.15 0.00 0.00 54.97 54.65 1wgs s GLU 10 Cb -0.15 -2.26 -0.06 0.00 -0.44 0.00 0.00 34.13 31.23 1wgs s GLU 10 CO 0.54 0.58 0.03 0.54 0.95 0.00 0.00 175.26 177.90 1wgs s VAL 11 N -0.80 1.82 -0.12 1.83 0.11 -1.26 -5.14 120.40 116.85 1wgs s VAL 11 Ca 0.13 -1.96 -0.30 0.00 -2.93 0.00 0.00 61.98 56.91 1wgs s VAL 11 Cb -0.10 -2.78 0.12 0.00 -1.53 0.00 0.00 36.38 32.08 1wgs s VAL 11 CO 0.02 0.00 0.99 -0.89 -3.33 0.00 0.00 175.10 171.90 1wgs s THR 12 N -2.74 0.00 0.05 5.04 2.01 -1.26 -5.17 115.64 113.57 1wgs s THR 12 Ca 0.28 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.37 1wgs s THR 12 Cb 0.07 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1wgs s THR 12 CO 0.15 0.00 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.14 1wgs s VAL 13 N -1.85 2.00 -0.04 3.82 1.01 -1.26 -5.02 120.40 119.06 1wgs s VAL 13 Ca 0.02 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.70 1wgs s VAL 13 Cb -0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1wgs s VAL 13 CO -0.02 0.31 -0.22 -1.61 0.00 0.00 0.00 175.10 173.55 1wgs s GLU 14 N -1.26 2.15 0.52 2.72 2.02 -1.26 -5.13 118.70 118.46 1wgs s GLU 14 Ca 0.11 -0.79 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1wgs s GLU 14 Cb -0.10 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.20 1wgs s GLU 14 CO 0.02 0.36 0.91 0.42 0.02 0.00 0.00 175.26 176.99 1wgs s ILE 15 N -0.19 4.74 0.00 -1.63 -1.09 -1.26 -3.85 121.20 117.93 1wgs s ILE 15 Ca -0.01 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1wgs s ILE 15 Cb -0.12 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 1wgs s ILE 15 CO 0.02 -0.86 0.00 0.61 -1.23 0.00 0.00 174.94 173.48 1wgs n GLY 16 N -2.11 2.72 3.92 6.18 0.00 -0.89 -5.00 105.19 110.02 1wgs n GLY 16 Ca 0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N 0.00 3.10 -0.08 1.61 8.01 -1.25 -4.80 118.70 125.29 1wgs s GLU 17 Ca 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 54.97 54.88 1wgs s GLU 17 Cb 0.00 -2.37 -0.03 0.00 -4.31 0.00 0.00 34.13 27.42 1wgs s GLU 17 CO 0.00 -0.47 0.01 0.99 0.01 0.00 0.00 175.26 175.80 1wgs s THR 18 N -2.82 4.39 0.14 3.63 2.01 -1.26 -1.57 115.64 120.16 1wgs s THR 18 Ca 0.51 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1wgs s THR 18 Cb -0.10 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1wgs s THR 18 CO 0.43 0.60 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.54 1wgs s TYR 19 N -0.90 1.28 -0.42 4.92 1.51 -0.20 -4.19 117.35 119.34 1wgs s TYR 19 Ca 0.14 -0.72 -0.26 0.00 -1.01 0.00 0.00 57.07 55.22 1wgs s TYR 19 Cb -0.11 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1wgs s TYR 19 CO 0.03 0.10 0.94 -0.51 -1.11 0.00 0.00 175.55 174.99 1wgs s LEU 20 N -3.05 3.98 -0.32 -1.29 2.01 -1.26 -0.68 118.68 118.08 1wgs s LEU 20 Ca 0.15 0.37 -0.16 0.00 0.01 0.00 0.00 54.13 54.50 1wgs s LEU 20 Cb 0.01 -3.25 -0.02 0.00 0.01 0.00 0.00 46.19 42.95 1wgs s LEU 20 CO 0.01 -0.97 0.40 0.00 1.01 0.00 0.00 176.35 176.80 1wgs n ARG 22 N 5.44 2.32 -4.49 0.00 0.63 0.46 -2.23 116.66 118.79 1wgs n ARG 22 Ca -0.08 0.75 -0.33 0.00 -0.92 0.00 0.00 57.85 57.26 1wgs n ARG 22 Cb 0.50 -3.11 -0.15 0.00 0.45 0.00 0.00 32.46 30.15 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 5.52 3.23 -1.17 -0.14 0.52 -1.11 -4.96 118.95 120.83 1wgs s ARG 23 Ca 0.96 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 1wgs s ARG 23 Cb -0.40 -2.64 -0.07 0.00 0.52 0.00 0.00 34.95 32.36 1wgs s ARG 23 CO 0.39 0.01 2.30 -0.35 0.02 0.00 0.00 175.30 177.66 1wgs n PRO 24 N 4.09 2.50 0.00 3.54 -0.04 -1.26 -3.60 135.00 140.23 1wgs n PRO 24 Ca -0.19 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1wgs n PRO 24 Cb 0.52 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 1wgs n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wgs n ASP 25 N 5.24 0.36 0.00 3.54 8.00 -1.26 -5.03 116.55 127.40 1wgs n ASP 25 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1wgs n ASP 25 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wgs n SER 26 N -2.49 0.00 0.00 -2.24 7.64 -1.24 -5.17 113.62 110.13 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 0.19 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wgs n THR 27 N -2.20 0.00 -2.60 0.44 5.66 -1.24 -5.10 114.28 109.24 1wgs n THR 27 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1wgs n THR 27 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.72 3.28 -0.02 1.09 0.52 -1.26 -2.77 118.94 119.05 1wgs s TRP 28 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 56.10 57.77 1wgs s TRP 28 Cb 0.00 -3.06 0.02 0.00 -1.15 0.00 0.00 33.47 29.27 1wgs s TRP 28 CO 0.00 -0.50 -0.02 -1.01 0.02 0.00 0.00 176.95 175.44 1wgs s HIS 29 N -1.76 0.37 0.75 -1.98 3.76 -0.95 -4.90 115.29 110.58 1wgs s HIS 29 Ca 0.59 -0.04 -0.15 0.00 -0.15 0.00 0.00 55.06 55.31 1wgs s HIS 29 Cb -0.19 -0.38 0.05 0.00 1.11 0.00 0.00 32.58 33.16 1wgs s HIS 29 CO 0.24 -0.10 1.21 -1.54 -0.85 0.00 0.00 174.74 173.70 1wgs s SER 30 N 0.70 4.06 -0.29 1.40 1.04 -1.26 0.55 113.70 119.90 1wgs s SER 30 Ca -0.07 2.37 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 1wgs s SER 30 Cb -0.11 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.58 1wgs s SER 30 CO -0.01 -2.36 0.95 0.00 0.98 0.00 0.00 173.24 172.80 1wgs s ALA 31 N -2.00 -2.44 0.11 5.32 0.00 0.15 -4.33 121.76 118.57 1wgs s ALA 31 Ca 0.74 2.15 -0.30 0.00 0.00 0.00 0.00 51.96 54.56 1wgs s ALA 31 Cb -0.29 -1.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 1wgs s ALA 31 CO 0.46 -0.66 1.11 -1.83 0.00 0.00 0.00 175.76 174.85 1wgs s GLU 32 N 1.94 4.54 -0.58 0.00 -1.05 0.14 -1.04 118.70 122.66 1wgs s GLU 32 Ca -0.06 1.68 -0.26 0.00 -0.15 0.00 0.00 54.97 56.18 1wgs s GLU 32 Cb -0.05 -3.33 0.04 0.00 -0.44 0.00 0.00 34.13 30.34 1wgs s GLU 32 CO -0.16 -0.04 1.09 0.08 0.95 0.00 0.00 175.26 177.17 1wgs s VAL 33 N 0.36 4.16 0.01 1.83 1.01 -0.61 0.18 120.40 127.35 1wgs s VAL 33 Ca 0.53 0.57 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 1wgs s VAL 33 Cb -0.28 -4.66 -0.15 0.00 0.00 0.00 0.00 36.38 31.29 1wgs s VAL 33 CO 0.32 -1.29 1.14 0.40 0.00 0.00 0.00 175.10 175.66 1wgs h ILE 34 N 6.09 0.17 -2.17 2.22 1.08 0.70 -2.36 117.51 123.23 1wgs h ILE 34 Ca -0.26 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1wgs h ILE 34 Cb 1.06 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1wgs h ILE 34 CO 1.15 0.02 0.03 0.00 -0.69 0.00 0.00 178.15 178.66 1wgs n GLN 35 N -5.34 0.14 -4.26 2.37 1.13 -1.22 -4.56 117.38 105.65 1wgs n GLN 35 Ca -0.11 -0.33 -0.14 0.00 -1.94 0.00 0.00 57.00 54.48 1wgs n GLN 35 Cb 0.35 0.38 -0.10 0.00 0.11 0.00 0.00 30.24 30.98 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 -1.29 1.66 0.30 1.08 1.04 -1.26 -1.19 113.70 114.04 1wgs s SER 36 Ca 0.03 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.21 1wgs s SER 36 Cb -0.01 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1wgs s SER 36 CO 0.02 -0.42 0.66 0.00 0.98 0.00 0.00 173.24 174.48 1wgs s ARG 37 N -3.80 1.84 0.01 4.02 1.70 -0.29 -4.95 118.95 117.48 1wgs s ARG 37 Ca 0.20 -1.21 0.05 0.00 -0.47 0.00 0.00 55.73 54.30 1wgs s ARG 37 Cb 0.04 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1wgs s ARG 37 CO 0.02 -0.83 -0.15 0.08 -1.08 0.00 0.00 175.30 173.35 1wgs s VAL 38 N -3.51 1.18 -0.32 4.99 1.01 -1.26 -1.68 120.40 120.79 1wgs s VAL 38 Ca 0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1wgs s VAL 38 Cb -0.04 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1wgs s VAL 38 CO 0.09 0.21 0.09 0.20 0.00 0.00 0.00 175.10 175.70 1wgs s ASN 39 N -0.66 5.23 0.05 3.32 -0.87 0.87 -4.96 114.94 117.92 1wgs s ASN 39 Ca 0.04 -0.99 -0.16 0.00 -1.57 0.00 0.00 52.86 50.18 1wgs s ASN 39 Cb -0.07 -1.87 -0.21 0.00 -0.02 0.00 0.00 41.25 39.09 1wgs s ASN 39 CO 0.00 -0.28 1.20 -0.78 -2.57 0.00 0.00 177.10 174.67 1wgs h ASP 40 N 8.22 0.76 0.43 -1.22 1.82 -1.95 1.33 116.42 125.81 1wgs h ASP 40 Ca -0.26 -0.70 -0.01 0.00 -0.39 0.00 0.00 57.03 55.67 1wgs h ASP 40 Cb 1.10 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.85 1wgs h ASP 40 CO 0.60 1.35 -0.50 1.56 -1.61 0.00 0.00 179.24 180.64 1wgs h GLN 41 N 0.23 -0.92 0.05 0.28 4.20 -1.97 -2.96 115.11 114.03 1wgs h GLN 41 Ca -0.08 0.06 -0.23 0.00 0.06 0.00 0.00 58.65 58.46 1wgs h GLN 41 Cb 1.41 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.40 1wgs h GLN 41 CO 0.15 -0.61 -1.03 0.93 -0.67 0.00 0.00 178.83 177.60 1wgs h GLU 42 N -0.95 0.24 -1.89 1.46 4.39 -1.99 -3.48 114.58 112.35 1wgs h GLU 42 Ca -0.05 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1wgs h GLU 42 Cb 0.85 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1wgs h GLU 42 CO -0.10 1.08 -0.03 0.41 -1.16 0.00 0.00 179.01 179.21 1wgs n GLY 43 N 1.17 0.54 3.29 -3.84 0.00 0.45 -5.07 105.19 101.73 1wgs n GLY 43 Ca -0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.33 1.20 0.23 1.61 0.52 -0.57 -4.96 118.95 112.65 1wgs s ARG 44 Ca 0.01 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1wgs s ARG 44 Cb -0.00 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 1wgs s ARG 44 CO 0.03 -0.42 0.41 -1.21 0.02 0.00 0.00 175.30 174.14 1wgs s GLU 45 N -4.07 3.50 0.07 3.54 2.02 -1.26 -0.09 118.70 122.41 1wgs s GLU 45 Ca 0.28 -0.39 -0.10 0.00 0.02 0.00 0.00 54.97 54.78 1wgs s GLU 45 Cb 0.05 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.47 1wgs s GLU 45 CO 0.07 0.36 0.23 -1.21 0.02 0.00 0.00 175.26 174.73 1wgs s GLU 46 N -3.58 0.83 -0.05 1.61 8.01 -0.68 -4.69 118.70 120.15 1wgs s GLU 46 Ca 0.38 -0.79 -0.02 0.00 0.01 0.00 0.00 54.97 54.55 1wgs s GLU 46 Cb -0.10 0.34 0.04 0.00 -4.31 0.00 0.00 34.13 30.10 1wgs s GLU 46 CO 0.30 -0.27 0.09 -0.06 0.01 0.00 0.00 175.26 175.34 1wgs s PHE 47 N -3.37 -0.05 -0.83 1.61 0.08 -0.56 -1.13 117.98 113.72 1wgs s PHE 47 Ca 0.01 0.36 -0.25 0.00 0.12 0.00 0.00 56.93 57.17 1wgs s PHE 47 Cb 0.02 -0.30 -0.00 0.00 -0.57 0.00 0.00 43.02 42.17 1wgs s PHE 47 CO -0.08 -0.19 1.67 -0.47 -0.10 0.00 0.00 175.22 176.04 1wgs s TYR 48 N 1.81 2.06 -0.07 0.36 5.04 -0.33 -0.54 117.35 125.67 1wgs s TYR 48 Ca -0.01 0.15 -0.11 0.00 -2.44 0.00 0.00 57.07 54.66 1wgs s TYR 48 Cb -0.12 -4.34 -0.05 0.00 0.35 0.00 0.00 41.96 37.80 1wgs s TYR 48 CO -0.04 -1.99 0.27 0.14 -1.34 0.00 0.00 175.55 172.59 1wgs s VAL 49 N 7.66 5.28 -0.21 3.14 -7.23 -0.94 0.13 120.40 128.21 1wgs s VAL 49 Ca 0.56 0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 61.20 1wgs s VAL 49 Cb -0.07 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 1wgs s VAL 49 CO 0.05 0.58 -0.01 -2.28 -0.31 0.00 0.00 175.10 173.13 1wgs s HIS 50 N -0.90 3.01 -0.89 2.82 2.46 0.48 -3.64 115.29 118.63 1wgs s HIS 50 Ca 0.19 -0.63 -0.23 0.00 0.47 0.00 0.00 55.06 54.86 1wgs s HIS 50 Cb -0.14 -2.11 0.07 0.00 -0.13 0.00 0.00 32.58 30.26 1wgs s HIS 50 CO 0.08 -0.37 1.27 0.71 -2.47 0.00 0.00 174.74 173.96 1wgs s TYR 51 N 1.27 2.63 0.58 3.88 2.02 -1.26 0.27 117.35 126.74 1wgs s TYR 51 Ca 0.04 -0.76 0.30 0.00 -0.37 0.00 0.00 57.07 56.28 1wgs s TYR 51 Cb -0.15 -4.53 1.41 0.00 -0.40 0.00 0.00 41.96 38.29 1wgs s TYR 51 CO 0.00 -1.82 1.79 -0.39 -1.57 0.00 0.00 175.55 173.56 1wgs h VAL 52 N 6.30 0.33 -2.54 0.71 -1.51 -1.96 -2.09 116.25 115.50 1wgs h VAL 52 Ca 0.02 0.00 -0.70 0.00 -1.23 0.00 0.00 66.70 64.79 1wgs h VAL 52 Cb 1.03 0.48 -0.36 0.00 -2.13 0.00 0.00 31.29 30.32 1wgs h VAL 52 CO 1.29 0.00 0.04 0.61 -1.23 0.00 0.00 177.57 178.28 1wgs n GLY 53 N -1.60 4.97 0.00 5.19 0.00 -1.26 -4.99 105.19 107.50 1wgs n GLY 53 Ca 0.15 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.44 1wgs n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgs n PHE 54 N 1.08 0.00 -1.54 1.61 3.72 -0.79 -5.05 117.46 116.49 1wgs n PHE 54 Ca 0.28 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.31 1wgs n PHE 54 Cb 0.37 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.00 1.97 -0.37 4.37 2.85 -1.26 -4.78 115.26 118.04 1wgs n ASN 55 Ca 0.00 -0.39 0.03 0.00 -0.11 0.00 0.00 54.58 54.12 1wgs n ASN 55 Cb 0.00 -1.47 0.10 0.00 1.24 0.00 0.00 39.78 39.65 1wgs n ASN 55 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1wgs n ARG 56 N 8.91 -0.14 -0.67 1.20 0.00 -1.26 0.20 116.66 124.90 1wgs n ARG 56 Ca 0.42 1.54 0.51 0.00 -0.00 0.00 0.00 57.85 60.32 1wgs n ARG 56 Cb 0.46 -2.30 0.78 0.00 0.00 0.00 0.00 32.46 31.39 1wgs n ARG 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1wgs n ARG 57 N -5.57 -0.00 0.00 -0.14 -4.01 -1.26 -2.51 116.66 103.17 1wgs n ARG 57 Ca 0.14 1.03 0.00 0.00 -1.04 0.00 0.00 57.85 57.98 1wgs n ARG 57 Cb 0.46 -2.37 0.00 0.00 -3.04 0.00 0.00 32.46 27.51 1wgs n ARG 57 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1wgs n LEU 58 N -3.83 0.00 -2.84 2.89 4.77 0.55 -4.93 117.00 113.61 1wgs n LEU 58 Ca 0.42 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1wgs n LEU 58 Cb 1.91 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.98 1wgs n LEU 58 CO 0.42 0.00 -0.40 0.47 -1.33 0.00 0.00 177.39 176.55 1wgs n ASP 59 N 0.00 -4.36 -4.01 -1.43 8.00 -1.05 -5.04 116.55 108.67 1wgs n ASP 59 Ca 0.00 1.13 -0.09 0.00 0.71 0.00 0.00 54.79 56.55 1wgs n ASP 59 Cb 0.00 -3.58 -0.08 0.00 -0.02 0.00 0.00 41.12 37.43 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 -0.55 0.90 0.49 -1.24 -1.05 -1.24 -5.03 118.70 110.98 1wgs s GLU 60 Ca -0.13 -1.20 -0.12 0.00 -0.15 0.00 0.00 54.97 53.37 1wgs s GLU 60 Cb 0.01 0.30 -0.06 0.00 -0.44 0.00 0.00 34.13 33.93 1wgs s GLU 60 CO 0.43 -0.28 0.90 -1.58 0.95 0.00 0.00 175.26 175.68 1wgs s TRP 61 N -3.95 3.50 0.31 4.83 0.52 -1.26 -2.23 118.94 120.66 1wgs s TRP 61 Ca 0.14 1.23 0.04 0.00 0.02 0.00 0.00 56.10 57.52 1wgs s TRP 61 Cb 0.06 -2.61 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 1wgs s TRP 61 CO -0.04 -0.31 0.17 0.14 0.02 0.00 0.00 176.95 176.92 1wgs s VAL 62 N -2.63 0.29 0.26 4.03 -7.23 0.30 -4.85 120.40 110.57 1wgs s VAL 62 Ca 0.54 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1wgs s VAL 62 Cb -0.10 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1wgs s VAL 62 CO 0.36 0.00 0.27 -1.81 -0.31 0.00 0.00 175.10 173.61 1wgs s ASP 63 N -3.39 5.76 0.46 4.85 1.11 -1.26 -1.50 116.67 122.69 1wgs s ASP 63 Ca 0.35 -0.18 0.12 0.00 0.18 0.00 0.00 52.55 53.02 1wgs s ASP 63 Cb 0.04 -1.49 1.03 0.00 1.07 0.00 0.00 42.92 43.58 1wgs s ASP 63 CO 0.18 -0.10 2.07 0.11 1.18 0.00 0.00 175.17 178.62 1wgs h LYS 64 N 1.35 0.24 -0.14 8.23 1.57 -1.93 -1.68 116.57 124.20 1wgs h LYS 64 Ca -0.49 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 1wgs h LYS 64 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1wgs h LYS 64 CO 0.60 0.20 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.51 1wgs h ASN 65 N 0.24 0.48 -0.46 0.86 2.35 -1.98 -2.91 115.58 114.16 1wgs h ASN 65 Ca 0.06 -0.54 0.13 0.00 -0.55 0.00 0.00 56.30 55.40 1wgs h ASN 65 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1wgs h ASN 65 CO -0.01 0.93 0.36 0.03 -1.65 0.00 0.00 177.43 177.09 1wgs h ARG 66 N 0.04 0.00 -7.15 0.81 3.08 -1.71 -3.41 114.38 106.04 1wgs h ARG 66 Ca 0.01 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.60 1wgs h ARG 66 Cb 0.84 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.97 1wgs h ARG 66 CO 0.06 0.00 0.12 -0.51 -1.07 0.00 0.00 179.97 178.57 1wgs s LEU 67 N -8.43 2.98 -0.37 3.04 1.43 -0.88 0.18 118.68 116.63 1wgs s LEU 67 Ca -0.05 -0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1wgs s LEU 67 Cb 0.18 -2.21 0.08 0.00 0.03 0.00 0.00 46.19 44.27 1wgs s LEU 67 CO 0.68 -1.82 0.14 0.00 0.23 0.00 0.00 176.35 175.58 1wgs s ALA 68 N -3.16 3.06 -0.47 4.21 0.00 -0.80 -4.84 121.76 119.76 1wgs s ALA 68 Ca 0.65 -2.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.44 1wgs s ALA 68 Cb -0.06 -2.29 0.12 0.00 0.00 0.00 0.00 23.12 20.89 1wgs s ALA 68 CO 0.44 -1.57 0.25 -0.51 0.00 0.00 0.00 175.76 174.38 1wgs s LEU 69 N 1.25 5.12 0.00 0.00 1.43 -1.26 -4.55 118.68 120.67 1wgs s LEU 69 Ca 0.02 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 50.78 1wgs s LEU 69 Cb -0.21 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1wgs s LEU 69 CO -0.01 -0.45 0.72 0.41 0.23 0.00 0.00 176.35 177.24 1wgs n THR 70 N 4.14 0.00 -2.68 5.49 -1.04 -1.26 -4.98 114.28 113.95 1wgs n THR 70 Ca 0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.98 1wgs n THR 70 Cb 0.40 0.22 -0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1wgs n THR 70 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wgs n LYS 71 N 0.00 -2.68 0.25 -2.82 0.00 -1.26 -4.08 118.16 107.57 1wgs n LYS 71 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1wgs n LYS 71 Cb 0.59 -4.39 0.00 0.00 -0.00 0.00 0.00 35.03 31.22 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wgs n THR 72 N -2.61 0.00 -0.41 0.58 -1.04 -1.26 -4.89 114.28 104.64 1wgs n THR 72 Ca 0.01 0.00 0.39 0.00 -2.04 0.00 0.00 64.05 62.42 1wgs n THR 72 Cb 0.48 -0.01 0.68 0.00 -1.82 0.00 0.00 70.33 69.67 1wgs n THR 72 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1wgs h VAL 73 N 0.00 0.11 0.83 12.58 2.07 -1.90 0.53 116.25 130.47 1wgs h VAL 73 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1wgs h VAL 73 Cb 0.00 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1wgs h VAL 73 CO 0.00 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 177.30 1wgs h LYS 74 N 0.00 -1.07 -5.91 1.57 1.57 -1.90 -3.47 116.57 107.36 1wgs h LYS 74 Ca 0.67 0.07 -0.40 0.00 -1.87 0.00 0.00 60.65 59.11 1wgs h LYS 74 Cb 3.01 0.24 0.11 0.00 0.08 0.00 0.00 32.23 35.67 1wgs h LYS 74 CO -0.01 -0.71 -0.71 -3.47 -0.57 0.00 0.00 179.45 173.98 1wgs n ASP 75 N -5.34 -5.35 0.00 0.86 2.03 0.19 -4.68 116.55 104.26 1wgs n ASP 75 Ca -0.14 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.57 1wgs n ASP 75 Cb 0.44 -4.82 0.00 0.00 -0.72 0.00 0.00 41.12 36.02 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wgs n ALA 76 N -4.82 0.00 -2.67 -1.67 0.00 -1.26 -5.00 120.51 105.09 1wgs n ALA 76 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 1wgs n ALA 76 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.61 -0.11 -1.15 0.00 3.14 -1.26 -3.62 118.33 113.71 1wgs n VAL 77 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1wgs n VAL 77 Cb 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.45 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 -2.69 -1.36 -3.43 1.45 -0.06 -1.26 -4.84 117.38 105.18 1wgs n GLN 78 Ca -0.01 1.35 -0.44 0.00 -2.00 0.00 0.00 57.00 55.90 1wgs n GLN 78 Cb 0.51 -1.36 -0.06 0.00 -4.06 0.00 0.00 30.24 25.27 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 1wgs s LYS 79 N -1.97 2.85 0.00 3.69 2.47 -1.24 -4.89 119.74 120.65 1wgs s LYS 79 Ca 0.00 -1.89 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 1wgs s LYS 79 Cb 0.00 -4.14 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 1wgs s LYS 79 CO 0.00 -1.26 0.00 -1.71 0.16 0.00 0.00 175.35 172.54 1wgs n ASN 80 N 4.83 0.00 -3.61 1.43 5.15 -1.26 -5.18 115.26 116.62 1wgs n ASN 80 Ca -0.06 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.81 1wgs n ASN 80 Cb 0.41 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.62 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wgs s SER 81 N 0.00 0.21 -0.49 1.20 0.01 -1.26 -5.12 113.70 108.26 1wgs s SER 81 Ca 0.00 -1.11 0.06 0.00 1.31 0.00 0.00 55.95 56.21 1wgs s SER 81 Cb 0.00 0.65 0.22 0.00 0.21 0.00 0.00 66.02 67.11 1wgs s SER 81 CO 0.00 -1.28 0.79 -0.62 0.41 0.00 0.00 173.24 172.54 1wgs n GLU 82 N -0.46 0.68 -1.89 12.44 1.02 -1.26 -5.14 120.64 126.04 1wgs n GLU 82 Ca -0.02 -2.01 -0.02 0.00 -0.02 0.00 0.00 57.16 55.10 1wgs n GLU 82 Cb 0.61 -1.45 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1wgs n GLU 82 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1wgs n LYS 83 N 2.02 0.07 -3.10 3.49 0.00 -1.26 -5.18 118.16 114.21 1wgs n LYS 83 Ca 0.13 -0.32 -0.17 0.00 -0.00 0.00 0.00 58.31 57.95 1wgs n LYS 83 Cb 0.60 0.30 0.01 0.00 -0.00 0.00 0.00 35.03 35.93 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1wgs s TYR 84 N -4.44 2.84 0.34 5.58 6.14 -1.26 -5.04 117.35 121.51 1wgs s TYR 84 Ca 0.03 -0.38 -0.22 0.00 0.64 0.00 0.00 57.07 57.14 1wgs s TYR 84 Cb -0.00 -2.32 -0.15 0.00 0.42 0.00 0.00 41.96 39.91 1wgs s TYR 84 CO 0.02 -0.35 0.19 -0.11 0.64 0.00 0.00 175.55 175.94 1wgs n LEU 85 N -1.81 -2.38 -4.30 6.97 0.00 -1.26 -4.97 117.00 109.26 1wgs n LEU 85 Ca 0.07 0.86 -0.16 0.00 0.00 0.00 0.00 56.01 56.78 1wgs n LEU 85 Cb 0.59 -0.87 -0.10 0.00 0.00 0.00 0.00 43.42 43.04 1wgs n LEU 85 CO 0.40 -3.75 -0.37 -0.55 0.00 0.00 0.00 177.39 173.11 1wgs s SER 86 N -0.96 1.86 -0.16 1.96 0.15 -1.26 -5.16 113.70 110.13 1wgs s SER 86 Ca 0.58 -1.12 -0.34 0.00 0.70 0.00 0.00 55.95 55.77 1wgs s SER 86 Cb -0.68 -0.01 0.14 0.00 -1.71 0.00 0.00 66.02 63.75 1wgs s SER 86 CO 0.59 -0.41 1.25 -1.61 1.20 0.00 0.00 173.24 174.26 1wgs s GLU 87 N -3.80 0.29 0.58 5.44 2.02 -1.26 -5.18 118.70 116.79 1wgs s GLU 87 Ca 0.23 -0.13 0.10 0.00 0.02 0.00 0.00 54.97 55.19 1wgs s GLU 87 Cb 0.04 0.12 0.09 0.00 0.10 0.00 0.00 34.13 34.48 1wgs s GLU 87 CO 0.05 -0.13 0.80 -0.48 0.02 0.00 0.00 175.26 175.52 1wgs s LEU 88 N -2.38 3.10 0.00 1.80 2.34 -1.26 -5.14 118.68 117.14 1wgs s LEU 88 Ca 0.11 -0.84 0.00 0.00 0.06 0.00 0.00 54.13 53.46 1wgs s LEU 88 Cb 0.01 -1.63 -0.00 0.00 -0.56 0.00 0.00 46.19 44.00 1wgs s LEU 88 CO -0.04 -1.35 0.03 0.00 -1.06 0.00 0.00 176.35 173.92 1wgs n ALA 89 N -2.25 0.02 -2.97 1.48 0.00 -1.26 -5.19 120.51 110.34 1wgs n ALA 89 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1wgs n ALA 89 Cb 0.62 0.11 0.00 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 -0.05 2.69 -4.37 0.00 2.13 -1.26 -5.16 120.64 114.63 1wgs n GLU 90 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1wgs n GLU 90 Cb 0.05 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.64 1wgs n GLU 90 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1wgs s GLN 91 N 0.24 1.37 0.57 5.31 0.00 -1.26 -5.14 119.66 120.75 1wgs s GLN 91 Ca 0.00 -1.46 -0.16 0.00 -0.00 0.00 0.00 55.36 53.74 1wgs s GLN 91 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 33.01 31.45 1wgs s GLN 91 CO 0.00 0.31 1.05 -1.25 0.00 0.00 0.00 175.29 175.40 1wgs s PRO 92 N -2.77 3.46 -0.03 9.60 0.04 -1.26 -5.07 135.00 138.96 1wgs s PRO 92 Ca 0.18 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 1wgs s PRO 92 Cb -0.06 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wgs s PRO 92 CO 0.08 -0.70 0.10 -2.00 0.04 0.00 0.00 177.00 174.52 1wgs s GLU 93 N -3.95 0.20 0.14 4.56 2.12 -1.26 -5.16 118.70 115.34 1wgs s GLU 93 Ca 0.64 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 56.00 1wgs s GLU 93 Cb -0.15 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1wgs s GLU 93 CO 0.34 -0.03 0.06 0.50 -0.54 0.00 0.00 175.26 175.59 1wgs s ARG 94 N -0.34 2.70 -0.05 4.30 6.06 -1.26 -5.12 118.95 125.25 1wgs s ARG 94 Ca -0.04 -0.89 0.02 0.00 -2.50 0.00 0.00 55.73 52.31 1wgs s ARG 94 Cb -0.03 -2.57 0.02 0.00 0.06 0.00 0.00 34.95 32.43 1wgs s ARG 94 CO 0.00 0.50 -0.07 0.21 -2.50 0.00 0.00 175.30 173.44 1wgs s LYS 95 N -2.78 1.10 1.08 5.12 2.20 -1.26 -5.14 119.74 120.06 1wgs s LYS 95 Ca 0.29 -0.22 -0.13 0.00 -0.36 0.00 0.00 55.97 55.55 1wgs s LYS 95 Cb -0.11 -1.00 0.24 0.00 -1.51 0.00 0.00 37.83 35.45 1wgs s LYS 95 CO 0.21 -0.02 1.06 -1.50 -0.36 0.00 0.00 175.35 174.74 1wgs s ILE 96 N 0.74 2.01 0.23 5.43 2.07 -1.26 -5.07 121.20 125.35 1wgs s ILE 96 Ca -0.12 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1wgs s ILE 96 Cb -0.14 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.10 1wgs s ILE 96 CO 0.01 -0.00 0.18 0.42 -1.91 0.00 0.00 174.94 173.64 1wgs s THR 97 N -2.76 0.00 0.12 4.00 -4.23 -1.26 -5.18 115.64 106.33 1wgs s THR 97 Ca 0.67 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 1wgs s THR 97 Cb -0.21 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1wgs s THR 97 CO 0.61 0.00 0.30 -0.13 -0.54 0.00 0.00 174.62 174.86 1wgs s ARG 98 N -3.99 1.00 0.32 3.99 1.81 -1.26 -5.18 118.95 115.64 1wgs s ARG 98 Ca 0.39 -0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 53.34 1wgs s ARG 98 Cb 0.06 0.41 0.03 0.00 -0.45 0.00 0.00 34.95 34.99 1wgs s ARG 98 CO 0.15 -0.36 0.71 0.54 -0.68 0.00 0.00 175.30 175.66 1wgs s ASN 99 N -2.85 -0.07 0.17 0.23 2.20 -1.26 -5.19 114.94 108.17 1wgs s ASN 99 Ca 0.06 -0.90 -0.23 0.00 -0.94 0.00 0.00 52.86 50.85 1wgs s ASN 99 Cb 0.03 0.76 0.06 0.00 -2.00 0.00 0.00 41.25 40.10 1wgs s ASN 99 CO -0.10 -1.46 0.71 -1.58 -2.94 0.00 0.00 177.10 171.73 1wgs s GLN 100 N -3.27 1.35 -0.15 3.55 0.74 -1.26 -5.18 119.66 115.45 1wgs s GLN 100 Ca 0.15 -0.61 -0.25 0.00 0.05 0.00 0.00 55.36 54.70 1wgs s GLN 100 Cb -0.05 0.55 0.06 0.00 1.10 0.00 0.00 33.01 34.67 1wgs s GLN 100 CO 0.10 -0.60 0.63 0.21 -0.55 0.00 0.00 175.29 175.07 1wgs s LYS 101 N -3.67 0.87 0.18 1.67 2.20 -1.26 -5.18 119.74 114.55 1wgs s LYS 101 Ca 0.05 0.55 0.07 0.00 -0.36 0.00 0.00 55.97 56.29 1wgs s LYS 101 Cb -0.02 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1wgs s LYS 101 CO -0.05 -0.19 -0.15 0.50 -0.36 0.00 0.00 175.35 175.09 1wgs s ARG 102 N -0.42 1.24 0.15 4.03 3.00 -1.26 -5.16 118.95 120.54 1wgs s ARG 102 Ca -0.06 -1.47 0.01 0.00 -1.00 0.00 0.00 55.73 53.21 1wgs s ARG 102 Cb -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 34.95 33.78 1wgs s ARG 102 CO 0.05 0.19 0.02 -1.59 0.00 0.00 0.00 175.30 173.97 1wgs s LYS 103 N -3.28 1.03 0.28 5.12 0.00 -1.26 -5.17 119.74 116.45 1wgs s LYS 103 Ca 0.18 -1.49 -0.07 0.00 0.00 0.00 0.00 55.97 54.59 1wgs s LYS 103 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 37.83 37.73 1wgs s LYS 103 CO 0.06 -0.18 0.43 -3.38 0.00 0.00 0.00 175.35 172.28 1wgs s HIS 104 N -3.80 0.75 0.28 1.78 -3.43 -1.26 -5.18 115.29 104.42 1wgs s HIS 104 Ca 0.23 -1.04 -0.17 0.00 -0.80 0.00 0.00 55.06 53.28 1wgs s HIS 104 Cb 0.07 -0.02 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 1wgs s HIS 104 CO 0.03 -1.00 0.63 -0.51 -2.00 0.00 0.00 174.74 171.88 1wgs s ASP 105 N -3.12 -0.15 -0.06 7.38 1.11 -1.26 -5.18 116.67 115.39 1wgs s ASP 105 Ca 0.28 -0.79 -0.05 0.00 0.18 0.00 0.00 52.55 52.17 1wgs s ASP 105 Cb 0.01 0.68 0.02 0.00 1.07 0.00 0.00 42.92 44.70 1wgs s ASP 105 CO 0.14 -1.29 0.16 -0.70 1.18 0.00 0.00 175.17 174.66 1wgs s GLU 106 N -3.83 0.18 0.95 8.23 2.56 -1.26 -5.16 118.70 120.37 1wgs s GLU 106 Ca 0.16 0.25 -0.16 0.00 0.00 0.00 0.00 54.97 55.23 1wgs s GLU 106 Cb -0.04 0.05 0.19 0.00 2.00 0.00 0.00 34.13 36.33 1wgs s GLU 106 CO 0.08 -0.05 1.31 0.96 -0.56 0.00 0.00 175.26 177.01 1wgs s ILE 107 N 0.27 2.00 0.27 -3.70 -5.25 -1.26 -5.10 121.20 108.42 1wgs s ILE 107 Ca -0.01 0.00 -0.14 0.00 -0.99 0.00 0.00 60.65 59.50 1wgs s ILE 107 Cb -0.03 -3.00 0.01 0.00 2.95 0.00 0.00 42.46 42.39 1wgs s ILE 107 CO -0.01 0.00 0.56 0.20 -1.79 0.00 0.00 174.94 173.90 1wgs s ASN 108 N -4.85 -0.04 0.06 4.36 0.01 -1.26 -5.18 114.94 108.04 1wgs s ASN 108 Ca 0.73 -0.92 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1wgs s ASN 108 Cb -0.05 0.65 -0.03 0.00 0.41 0.00 0.00 41.25 42.23 1wgs s ASN 108 CO 0.53 -1.25 -0.09 -1.38 -1.51 0.00 0.00 177.10 173.40 1wgs s HIS 109 N -3.78 0.84 -0.11 2.20 -3.43 -1.26 -5.15 115.29 104.61 1wgs s HIS 109 Ca 0.20 -0.55 -0.04 0.00 -0.80 0.00 0.00 55.06 53.87 1wgs s HIS 109 Cb -0.02 -0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 1wgs s HIS 109 CO 0.10 -0.05 0.04 0.08 -2.00 0.00 0.00 174.74 172.91 1wgs s VAL 110 N -1.71 4.67 0.47 -5.38 1.01 -1.26 -5.11 120.40 113.08 1wgs s VAL 110 Ca -0.04 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1wgs s VAL 110 Cb -0.08 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1wgs s VAL 110 CO 0.00 0.58 0.50 0.00 0.00 0.00 0.00 175.10 176.18 1wgs s GLN 111 N -0.65 2.51 0.04 2.72 1.03 -1.26 -5.14 119.66 118.92 1wgs s GLN 111 Ca 0.11 -1.57 -0.28 0.00 0.04 0.00 0.00 55.36 53.66 1wgs s GLN 111 Cb -0.12 -2.46 0.10 0.00 0.03 0.00 0.00 33.01 30.55 1wgs s GLN 111 CO 0.02 -0.40 1.09 0.21 -2.54 0.00 0.00 175.29 173.68 1wgs s LYS 112 N -4.30 0.78 0.10 9.60 2.36 -1.26 -5.19 119.74 121.83 1wgs s LYS 112 Ca 0.50 -0.41 -0.05 0.00 -2.55 0.00 0.00 55.97 53.46 1wgs s LYS 112 Cb -0.05 0.28 0.02 0.00 -1.05 0.00 0.00 37.83 37.03 1wgs s LYS 112 CO 0.30 -0.36 0.25 -2.37 1.55 0.00 0.00 175.35 174.73 1wgs n THR 113 N -0.41 0.00 -3.83 3.43 5.66 -1.26 -5.19 114.28 112.68 1wgs n THR 113 Ca -0.07 -0.26 -0.07 0.00 -3.05 0.00 0.00 64.05 60.60 1wgs n THR 113 Cb 0.61 0.28 0.01 0.00 -1.55 0.00 0.00 70.33 69.69 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 -6.43 0.05 0.21 1.09 -0.85 -1.26 -5.19 117.35 104.97 1wgs s TYR 114 Ca 0.05 -0.62 -0.10 0.00 -0.52 0.00 0.00 57.07 55.88 1wgs s TYR 114 Cb -0.01 0.78 -0.01 0.00 0.38 0.00 0.00 41.96 43.10 1wgs s TYR 114 CO 0.03 -1.35 0.38 0.00 -1.52 0.00 0.00 175.55 173.09 1wgs s ALA 115 N -2.57 -0.03 -0.06 9.51 0.00 -1.26 -5.17 121.76 122.19 1wgs s ALA 115 Ca 0.16 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1wgs s ALA 115 Cb -0.04 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.11 1wgs s ALA 115 CO 0.09 -0.75 -0.14 -1.83 0.00 0.00 0.00 175.76 173.13 1wgs s GLU 116 N -4.01 1.69 0.39 0.00 -1.05 -1.26 -5.14 118.70 109.32 1wgs s GLU 116 Ca 0.22 -0.48 0.08 0.00 -0.15 0.00 0.00 54.97 54.64 1wgs s GLU 116 Cb 0.02 -1.42 -0.02 0.00 -0.44 0.00 0.00 34.13 32.26 1wgs s GLU 116 CO 0.06 0.11 0.36 -1.64 0.95 0.00 0.00 175.26 175.10 1wgs s MET 117 N 0.40 2.60 0.53 -4.83 -1.94 -1.26 -5.09 119.30 109.71 1wgs s MET 117 Ca -0.10 -1.45 -0.21 0.00 -1.71 0.00 0.00 55.69 52.21 1wgs s MET 117 Cb -0.14 -2.42 -0.05 0.00 2.01 0.00 0.00 34.83 34.23 1wgs s MET 117 CO 0.03 -0.11 1.26 -0.51 -0.01 0.00 0.00 175.02 175.68 1wgs s ASP 118 N -4.10 5.51 -0.06 3.03 1.11 -1.26 -4.97 116.67 115.93 1wgs s ASP 118 Ca 0.46 2.53 -0.12 0.00 0.18 0.00 0.00 52.55 55.60 1wgs s ASP 118 Cb -0.04 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.25 1wgs s ASP 118 CO 0.28 -1.39 0.48 1.55 1.18 0.00 0.00 175.17 177.27 1wgs h PRO 119 N 1.48 -0.28 -1.85 8.23 0.13 -2.08 -3.49 132.00 134.14 1wgs h PRO 119 Ca -0.50 0.02 0.24 0.00 -0.87 0.00 0.00 66.00 64.89 1wgs h PRO 119 Cb 1.28 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.36 1wgs h PRO 119 CO 0.57 -0.08 0.67 -0.08 -0.23 0.00 0.00 178.00 178.85 1wgs s THR 120 N -2.74 0.00 -0.07 1.56 -1.32 -1.26 -5.19 115.64 106.63 1wgs s THR 120 Ca -0.07 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 59.78 1wgs s THR 120 Cb 0.00 -1.78 0.11 0.00 -1.51 0.00 0.00 72.50 69.32 1wgs s THR 120 CO 0.22 0.00 0.95 0.28 -2.21 0.00 0.00 174.62 173.86 1wgs s THR 121 N -2.80 0.00 0.00 5.08 -1.32 -1.26 -5.19 115.64 110.16 1wgs s THR 121 Ca 0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1wgs s THR 121 Cb 0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1wgs s THR 121 CO -0.02 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.39 1wgs n ALA 122 N 0.06 0.00 -3.23 11.08 0.00 -1.26 -5.19 120.51 121.97 1wgs n ALA 122 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1wgs n ALA 122 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.10 0.11 -2.09 0.00 0.00 -1.26 -5.16 120.51 112.00 1wgs n ALA 123 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1wgs n ALA 123 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.64 0.00 -0.00 -1.26 -5.17 117.00 106.93 1wgs n LEU 124 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.00 1wgs n LEU 124 Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.50 1wgs n LEU 124 CO 0.06 0.00 1.15 -0.70 -0.00 0.00 0.00 177.39 177.89 1wgs s GLU 125 N 2.14 0.08 0.05 1.47 2.12 -1.26 -5.16 118.70 118.14 1wgs s GLU 125 Ca 0.00 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.29 1wgs s GLU 125 Cb 0.00 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1wgs s GLU 125 CO 0.00 -0.03 0.26 0.21 -0.54 0.00 0.00 175.26 175.16 1wgs s LYS 126 N -1.67 3.52 0.01 4.30 2.20 -1.26 -5.11 119.74 121.73 1wgs s LYS 126 Ca 0.10 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1wgs s LYS 126 Cb -0.01 -3.01 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1wgs s LYS 126 CO -0.05 0.60 -0.04 -2.00 -0.36 0.00 0.00 175.35 173.50 1wgs s GLU 127 N -2.25 0.32 -0.12 4.03 2.12 -1.26 -5.15 118.70 116.39 1wgs s GLU 127 Ca 0.33 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.08 1wgs s GLU 127 Cb -0.13 -0.23 0.12 0.00 0.26 0.00 0.00 34.13 34.15 1wgs s GLU 127 CO 0.23 0.06 0.98 0.45 -0.54 0.00 0.00 175.26 176.43 1wgs s SER 128 N -0.47 -0.36 0.00 -1.70 0.15 -1.26 -5.15 113.70 104.91 1wgs s SER 128 Ca -0.02 0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1wgs s SER 128 Cb -0.04 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1wgs s SER 128 CO -0.00 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1wgs n GLY 129 N 0.41 -1.01 1.56 9.45 0.00 -1.26 -5.18 105.19 109.16 1wgs n GLY 129 Ca -0.09 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.22 -4.17 1.61 -0.04 -1.26 -5.11 135.00 124.81 1wgs n PRO 130 Ca 0.00 -0.80 -0.13 0.00 -0.04 0.00 0.00 63.50 62.53 1wgs n PRO 130 Cb 0.00 -0.63 -0.09 0.00 -0.04 0.00 0.00 33.50 32.74 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgs s SER 131 N -2.91 0.35 0.08 3.54 1.04 -1.26 -5.18 113.70 109.37 1wgs s SER 131 Ca 0.31 -1.37 -0.27 0.00 0.48 0.00 0.00 55.95 55.09 1wgs s SER 131 Cb -0.02 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.64 1wgs s SER 131 CO 0.23 -0.94 1.08 -0.94 0.98 0.00 0.00 173.24 173.64 1wgs s SER 132 N -3.17 -0.15 0.00 7.02 1.04 -1.26 -5.38 113.70 111.80 1wgs s SER 132 Ca 0.36 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1wgs s SER 132 Cb 0.05 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1wgs s SER 132 CO 0.14 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.31