#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 -4.16 0.12 1.61 7.64 -1.26 -5.04 113.62 112.52 1wgs n SER 2 Ca 0.00 1.57 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1wgs n SER 2 Cb 0.00 -5.27 0.00 0.00 -1.01 0.00 0.00 64.21 57.93 1wgs n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgs n SER 3 N 1.77 0.12 -4.62 6.43 2.88 -1.26 -5.06 113.62 113.88 1wgs n SER 3 Ca -0.25 0.38 -0.38 0.00 -1.33 0.00 0.00 58.87 57.29 1wgs n SER 3 Cb 0.39 0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 1wgs n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgs s GLY 4 N -4.78 1.94 0.06 0.46 0.00 -1.26 -5.06 107.32 98.68 1wgs s GLY 4 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.60 1wgs s GLY 4 CO 0.00 0.76 0.75 -0.56 0.00 0.00 0.00 173.10 174.05 1wgs s SER 5 N 1.50 7.22 -0.74 1.64 0.01 -1.26 -5.02 113.70 117.06 1wgs s SER 5 Ca 0.12 1.46 0.03 0.00 1.31 0.00 0.00 55.95 58.86 1wgs s SER 5 Cb -0.15 -2.46 0.18 0.00 0.21 0.00 0.00 66.02 63.79 1wgs s SER 5 CO 0.09 0.06 0.55 -0.44 0.41 0.00 0.00 173.24 173.91 1wgs s SER 6 N -0.27 5.15 0.00 2.44 0.01 -1.26 -5.00 113.70 114.76 1wgs s SER 6 Ca 0.37 -3.70 0.00 0.00 1.31 0.00 0.00 55.95 53.93 1wgs s SER 6 Cb -0.21 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1wgs s SER 6 CO 0.23 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1wgs n GLY 7 N 2.24 1.59 3.36 3.44 0.00 -1.26 -5.12 105.19 109.44 1wgs n GLY 7 Ca 0.18 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgs s GLU 8 N -3.93 0.88 0.67 1.61 -1.05 -1.26 -5.17 118.70 110.45 1wgs s GLU 8 Ca 0.00 -0.08 -0.12 0.00 -0.15 0.00 0.00 54.97 54.62 1wgs s GLU 8 Cb 0.00 0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1wgs s GLU 8 CO 0.00 -0.28 1.06 -1.25 0.95 0.00 0.00 175.26 175.74 1wgs s PRO 9 N -1.61 3.03 -0.19 -4.83 0.04 -1.26 -5.05 135.00 125.14 1wgs s PRO 9 Ca -0.10 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 1wgs s PRO 9 Cb -0.02 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1wgs s PRO 9 CO 0.04 -1.02 -0.05 -1.83 0.04 0.00 0.00 177.00 174.18 1wgs s GLU 10 N -4.86 3.46 1.31 4.56 -1.05 -1.26 -5.11 118.70 115.76 1wgs s GLU 10 Ca 0.59 -0.61 -0.19 0.00 -0.15 0.00 0.00 54.97 54.62 1wgs s GLU 10 Cb -0.14 -2.93 0.33 0.00 -0.44 0.00 0.00 34.13 30.95 1wgs s GLU 10 CO 0.51 -0.01 0.97 0.54 0.95 0.00 0.00 175.26 178.23 1wgs s VAL 11 N 1.00 1.54 -0.06 1.83 0.11 -1.26 -5.07 120.40 118.50 1wgs s VAL 11 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1wgs s VAL 11 Cb -0.15 -2.09 0.08 0.00 -1.53 0.00 0.00 36.38 32.69 1wgs s VAL 11 CO 0.00 0.00 0.72 -0.89 -3.33 0.00 0.00 175.10 171.60 1wgs s THR 12 N -2.39 0.00 0.06 5.04 2.01 -1.26 -5.17 115.64 113.93 1wgs s THR 12 Ca 0.69 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.75 1wgs s THR 12 Cb -0.18 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wgs s THR 12 CO 0.61 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.70 1wgs s VAL 13 N -1.28 3.08 -0.10 3.82 1.01 -1.26 -5.06 120.40 120.60 1wgs s VAL 13 Ca -0.09 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1wgs s VAL 13 Cb -0.00 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1wgs s VAL 13 CO 0.08 0.28 -0.18 -1.61 0.00 0.00 0.00 175.10 173.67 1wgs s GLU 14 N -1.67 3.09 0.46 2.72 2.02 -1.26 -5.12 118.70 118.94 1wgs s GLU 14 Ca 0.17 -0.77 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1wgs s GLU 14 Cb -0.11 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 1wgs s GLU 14 CO 0.08 0.28 0.93 0.42 0.02 0.00 0.00 175.26 176.99 1wgs s ILE 15 N 0.15 4.52 0.00 -1.63 -1.09 -1.26 -3.63 121.20 118.27 1wgs s ILE 15 Ca -0.10 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1wgs s ILE 15 Cb -0.16 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1wgs s ILE 15 CO 0.06 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 173.86 1wgs n GLY 16 N -1.16 2.89 3.92 6.18 0.00 -0.16 -5.00 105.19 111.85 1wgs n GLY 16 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N -0.15 3.00 -0.08 1.61 8.01 -1.24 -4.71 118.70 125.13 1wgs s GLU 17 Ca 0.00 0.02 -0.02 0.00 0.01 0.00 0.00 54.97 54.98 1wgs s GLU 17 Cb 0.00 -2.28 -0.03 0.00 -4.31 0.00 0.00 34.13 27.50 1wgs s GLU 17 CO 0.00 -0.64 0.01 0.99 0.01 0.00 0.00 175.26 175.62 1wgs s THR 18 N -2.96 4.34 0.16 3.63 2.01 -1.26 -0.67 115.64 120.88 1wgs s THR 18 Ca 0.53 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1wgs s THR 18 Cb -0.10 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1wgs s THR 18 CO 0.45 0.60 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.61 1wgs s TYR 19 N -0.90 1.23 -0.35 4.92 1.51 -0.35 -4.90 117.35 118.52 1wgs s TYR 19 Ca 0.14 -0.87 -0.24 0.00 -1.01 0.00 0.00 57.07 55.09 1wgs s TYR 19 Cb -0.11 -0.67 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1wgs s TYR 19 CO 0.03 -0.04 0.83 -0.51 -1.11 0.00 0.00 175.55 174.74 1wgs s LEU 20 N -3.17 4.08 -0.20 -1.29 2.01 -1.26 0.16 118.68 119.00 1wgs s LEU 20 Ca 0.19 0.53 -0.10 0.00 0.01 0.00 0.00 54.13 54.77 1wgs s LEU 20 Cb 0.04 -3.12 -0.05 0.00 0.01 0.00 0.00 46.19 43.08 1wgs s LEU 20 CO 0.01 -0.73 0.12 0.00 1.01 0.00 0.00 176.35 176.77 1wgs n ARG 22 N 3.68 -0.06 -4.04 0.00 0.63 0.19 -0.73 116.66 116.33 1wgs n ARG 22 Ca -0.16 0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.70 1wgs n ARG 22 Cb 0.52 -2.08 -0.11 0.00 0.45 0.00 0.00 32.46 31.24 1wgs n ARG 22 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wgs s ARG 23 N -3.71 0.47 -0.67 -0.14 1.81 -0.02 -4.73 118.95 111.96 1wgs s ARG 23 Ca 0.65 -0.74 -0.06 0.00 -1.72 0.00 0.00 55.73 53.85 1wgs s ARG 23 Cb -0.26 -0.14 -0.13 0.00 -0.45 0.00 0.00 34.95 33.97 1wgs s ARG 23 CO 0.60 0.01 2.64 -0.35 -0.68 0.00 0.00 175.30 177.52 1wgs n PRO 24 N 1.41 2.20 -0.88 3.54 -0.04 -1.26 -2.93 135.00 137.04 1wgs n PRO 24 Ca -0.23 -1.31 -0.05 0.00 -0.04 0.00 0.00 63.50 61.87 1wgs n PRO 24 Cb 0.55 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.34 -0.78 -3.91 3.54 2.03 -1.26 -4.99 116.55 114.53 1wgs n ASP 25 Ca 0.47 -1.68 -0.29 0.00 0.52 0.00 0.00 54.79 53.82 1wgs n ASP 25 Cb 0.41 0.23 0.02 0.00 -0.72 0.00 0.00 41.12 41.06 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1wgs n SER 26 N 0.00 -3.55 -3.41 1.67 7.64 -1.15 -4.94 113.62 109.88 1wgs n SER 26 Ca -0.22 -0.83 -0.15 0.00 1.01 0.00 0.00 58.87 58.68 1wgs n SER 26 Cb 0.63 -3.72 -0.06 0.00 -1.01 0.00 0.00 64.21 60.05 1wgs n SER 26 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wgs s THR 27 N -3.43 0.00 0.04 0.44 -4.23 -1.24 -5.04 115.64 102.17 1wgs s THR 27 Ca 0.49 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1wgs s THR 27 Cb -0.25 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1wgs s THR 27 CO 0.84 0.00 -0.13 0.26 -0.54 0.00 0.00 174.62 175.05 1wgs s TRP 28 N -3.31 1.14 -0.04 3.99 0.52 -1.26 -0.84 118.94 119.14 1wgs s TRP 28 Ca 0.33 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.11 1wgs s TRP 28 Cb 0.01 -0.68 0.02 0.00 -1.15 0.00 0.00 33.47 31.67 1wgs s TRP 28 CO 0.20 0.02 -0.03 -1.01 0.02 0.00 0.00 176.95 176.16 1wgs s HIS 29 N -0.85 0.60 0.83 -1.98 3.76 0.09 -4.91 115.29 112.83 1wgs s HIS 29 Ca 0.01 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.64 1wgs s HIS 29 Cb -0.08 -0.59 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 1wgs s HIS 29 CO 0.01 -0.18 0.50 -1.13 -0.85 0.00 0.00 174.74 173.09 1wgs n SER 30 N 4.15 -1.51 -3.52 1.40 3.41 -1.26 -0.65 113.62 115.64 1wgs n SER 30 Ca -0.24 0.47 -0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1wgs n SER 30 Cb 0.51 -1.22 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 1wgs n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgs s ALA 31 N -2.13 -2.40 0.16 7.33 0.00 0.12 -4.08 121.76 120.77 1wgs s ALA 31 Ca 0.62 2.19 -0.30 0.00 0.00 0.00 0.00 51.96 54.46 1wgs s ALA 31 Cb -0.28 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1wgs s ALA 31 CO 0.62 -0.86 1.20 -1.83 0.00 0.00 0.00 175.76 174.90 1wgs s GLU 32 N 2.45 4.48 -0.54 0.00 -1.05 0.39 -1.21 118.70 123.23 1wgs s GLU 32 Ca -0.05 1.86 -0.28 0.00 -0.15 0.00 0.00 54.97 56.36 1wgs s GLU 32 Cb -0.08 -3.26 0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1wgs s GLU 32 CO -0.18 -0.12 1.13 0.08 0.95 0.00 0.00 175.26 177.12 1wgs s VAL 33 N 0.15 4.14 -0.02 1.83 1.01 0.15 0.87 120.40 128.54 1wgs s VAL 33 Ca 0.54 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 1wgs s VAL 33 Cb -0.32 -4.65 -0.11 0.00 0.00 0.00 0.00 36.38 31.29 1wgs s VAL 33 CO 0.35 -1.18 0.84 0.40 0.00 0.00 0.00 175.10 175.51 1wgs h ILE 34 N 6.16 0.04 -2.31 2.22 1.08 0.41 -0.41 117.51 124.70 1wgs h ILE 34 Ca -0.24 -0.49 -0.04 0.00 -0.39 0.00 0.00 64.86 63.70 1wgs h ILE 34 Cb 1.06 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1wgs h ILE 34 CO 1.15 0.01 -0.01 0.00 -0.69 0.00 0.00 178.15 178.61 1wgs n GLN 35 N -5.24 0.14 -4.09 2.37 1.13 -1.22 -4.56 117.38 105.92 1wgs n GLN 35 Ca -0.09 -0.47 -0.14 0.00 -1.94 0.00 0.00 57.00 54.36 1wgs n GLN 35 Cb 0.28 0.48 -0.13 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 -1.38 0.64 0.03 1.08 1.04 -1.26 -2.26 113.70 111.59 1wgs s SER 36 Ca 0.05 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 1wgs s SER 36 Cb -0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.12 1wgs s SER 36 CO 0.03 -0.07 0.28 0.00 0.98 0.00 0.00 173.24 174.46 1wgs s ARG 37 N -0.78 0.75 0.03 4.02 1.70 0.38 -5.00 118.95 120.06 1wgs s ARG 37 Ca -0.04 -0.47 0.08 0.00 -0.47 0.00 0.00 55.73 54.82 1wgs s ARG 37 Cb -0.06 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 1wgs s ARG 37 CO 0.00 -0.23 -0.23 0.08 -1.08 0.00 0.00 175.30 173.84 1wgs s VAL 38 N -2.31 1.81 -0.21 4.99 1.01 -1.26 -0.35 120.40 124.07 1wgs s VAL 38 Ca -0.07 -1.20 -0.11 0.00 0.00 0.00 0.00 61.98 60.60 1wgs s VAL 38 Cb -0.02 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1wgs s VAL 38 CO -0.02 0.31 0.20 0.20 0.00 0.00 0.00 175.10 175.78 1wgs s ASN 39 N -1.06 6.24 -0.18 3.32 -0.87 0.27 -4.96 114.94 117.70 1wgs s ASN 39 Ca 0.09 0.26 -0.16 0.00 -1.57 0.00 0.00 52.86 51.49 1wgs s ASN 39 Cb -0.09 -2.13 -0.22 0.00 -0.02 0.00 0.00 41.25 38.80 1wgs s ASN 39 CO 0.01 0.10 0.25 -0.67 -2.57 0.00 0.00 177.10 174.22 1wgs n ASP 40 N 3.90 1.97 -0.14 -1.22 -0.08 -1.26 -0.80 116.55 118.91 1wgs n ASP 40 Ca -0.14 0.33 -0.08 0.00 -1.51 0.00 0.00 54.79 53.40 1wgs n ASP 40 Cb 0.52 -0.92 0.01 0.00 2.34 0.00 0.00 41.12 43.07 1wgs n ASP 40 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1wgs h GLN 41 N -0.59 0.58 0.15 -0.67 1.08 -1.98 -3.14 115.11 110.55 1wgs h GLN 41 Ca -0.39 -0.04 -0.29 0.00 -1.45 0.00 0.00 58.65 56.48 1wgs h GLN 41 Cb 1.60 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 28.90 1wgs h GLN 41 CO -0.10 0.39 -1.46 0.93 -0.95 0.00 0.00 178.83 177.63 1wgs h GLU 42 N 0.60 0.32 -1.54 1.46 4.39 -1.99 -3.49 114.58 114.33 1wgs h GLU 42 Ca 0.16 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1wgs h GLU 42 Cb -0.07 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1wgs h GLU 42 CO -0.04 1.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.49 1wgs n GLY 43 N 1.77 0.51 3.40 -3.84 0.00 0.02 -5.07 105.19 101.98 1wgs n GLY 43 Ca -0.23 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.65 1.64 0.11 1.61 0.52 -0.86 -4.95 118.95 114.37 1wgs s ARG 44 Ca 0.00 -1.68 0.05 0.00 -0.52 0.00 0.00 55.73 53.59 1wgs s ARG 44 Cb 0.00 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 1wgs s ARG 44 CO 0.00 -0.64 0.01 -1.21 0.02 0.00 0.00 175.30 173.48 1wgs s GLU 45 N -3.58 2.54 -0.13 3.54 2.02 -1.26 0.93 118.70 122.76 1wgs s GLU 45 Ca 0.33 -0.89 -0.08 0.00 0.02 0.00 0.00 54.97 54.35 1wgs s GLU 45 Cb 0.02 -2.51 0.05 0.00 0.10 0.00 0.00 34.13 31.78 1wgs s GLU 45 CO 0.17 0.52 0.31 -1.21 0.02 0.00 0.00 175.26 175.07 1wgs s GLU 46 N -2.48 0.30 -0.15 1.61 8.01 0.52 -4.65 118.70 121.87 1wgs s GLU 46 Ca 0.26 0.57 0.02 0.00 0.01 0.00 0.00 54.97 55.83 1wgs s GLU 46 Cb -0.11 -0.01 0.01 0.00 -4.31 0.00 0.00 34.13 29.71 1wgs s GLU 46 CO 0.19 -0.13 -0.20 -0.06 0.01 0.00 0.00 175.26 175.07 1wgs s PHE 47 N 0.99 2.54 -0.85 1.61 0.08 -0.70 -0.47 117.98 121.17 1wgs s PHE 47 Ca -0.07 -1.34 -0.25 0.00 0.12 0.00 0.00 56.93 55.39 1wgs s PHE 47 Cb -0.07 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1wgs s PHE 47 CO -0.07 -0.65 1.66 -0.47 -0.10 0.00 0.00 175.22 175.60 1wgs s TYR 48 N 1.02 2.07 0.07 0.36 5.04 -0.96 -0.64 117.35 124.32 1wgs s TYR 48 Ca -0.03 0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.65 1wgs s TYR 48 Cb -0.15 -4.35 -0.05 0.00 0.35 0.00 0.00 41.96 37.76 1wgs s TYR 48 CO -0.05 -1.98 0.32 0.14 -1.34 0.00 0.00 175.55 172.63 1wgs s VAL 49 N 7.61 5.23 -0.18 3.14 -7.23 -1.03 0.11 120.40 128.05 1wgs s VAL 49 Ca 0.56 0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.84 1wgs s VAL 49 Cb -0.06 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1wgs s VAL 49 CO 0.04 0.23 -0.13 -2.28 -0.31 0.00 0.00 175.10 172.65 1wgs s HIS 50 N -1.44 2.85 -0.66 2.82 2.46 0.25 -3.12 115.29 118.44 1wgs s HIS 50 Ca 0.33 -1.18 -0.27 0.00 0.47 0.00 0.00 55.06 54.41 1wgs s HIS 50 Cb -0.13 -1.97 0.01 0.00 -0.13 0.00 0.00 32.58 30.36 1wgs s HIS 50 CO 0.20 -0.59 1.49 0.71 -2.47 0.00 0.00 174.74 174.08 1wgs s TYR 51 N 1.18 2.08 -1.46 3.88 2.02 -1.26 -0.46 117.35 123.33 1wgs s TYR 51 Ca 0.02 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.92 1wgs s TYR 51 Cb -0.14 -4.41 -0.05 0.00 -0.40 0.00 0.00 41.96 36.96 1wgs s TYR 51 CO -0.05 -2.14 2.60 1.33 -1.57 0.00 0.00 175.55 175.73 1wgs n VAL 52 N 6.74 3.74 0.00 0.71 0.24 -1.26 -3.68 118.33 124.82 1wgs n VAL 52 Ca 0.10 -2.54 0.00 0.00 -2.04 0.00 0.00 64.34 59.87 1wgs n VAL 52 Cb 0.50 -2.55 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 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 3.80 -1.13 0.85 7.63 0.00 -1.26 -5.02 105.19 110.07 1wgs n GLY 53 Ca 0.66 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -1.07 -3.48 1.61 3.72 -1.24 -5.08 117.46 111.92 1wgs n PHE 54 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1wgs n PHE 54 Cb 0.00 0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 1wgs n PHE 54 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wgs s ASN 55 N 0.19 -0.47 0.10 4.37 2.47 -1.26 -5.04 114.94 115.31 1wgs s ASN 55 Ca 0.00 -0.05 0.23 0.00 0.42 0.00 0.00 52.86 53.46 1wgs s ASN 55 Cb 0.00 0.53 -0.01 0.00 -1.45 0.00 0.00 41.25 40.32 1wgs s ASN 55 CO 0.00 -0.87 0.97 0.54 -3.72 0.00 0.00 177.10 174.02 1wgs n ARG 56 N -0.34 0.47 -0.71 0.43 5.12 -1.26 -3.98 116.66 116.38 1wgs n ARG 56 Ca -0.13 0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.67 1wgs n ARG 56 Cb 0.63 -1.68 0.09 0.00 -1.16 0.00 0.00 32.46 30.35 1wgs n ARG 56 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1wgs n ARG 57 N -2.30 1.72 0.00 5.56 -4.01 -1.26 -4.63 116.66 111.73 1wgs n ARG 57 Ca 0.00 -1.68 0.00 0.00 -1.04 0.00 0.00 57.85 55.13 1wgs n ARG 57 Cb 0.50 -1.66 0.00 0.00 -3.04 0.00 0.00 32.46 28.26 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 -0.34 0.00 -3.02 2.89 4.77 -1.26 -5.06 117.00 114.98 1wgs n LEU 58 Ca 0.33 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1wgs n LEU 58 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1wgs n LEU 58 CO 0.35 0.00 -0.42 -0.90 -1.33 0.00 0.00 177.39 175.10 1wgs n ASP 59 N 0.00 -6.56 -4.21 -1.43 5.75 -1.26 -5.02 116.55 103.83 1wgs n ASP 59 Ca 0.00 0.82 -0.12 0.00 -0.01 0.00 0.00 54.79 55.48 1wgs n ASP 59 Cb 0.00 -2.69 -0.10 0.00 -1.03 0.00 0.00 41.12 37.30 1wgs n ASP 59 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1wgs s GLU 60 N -0.91 0.99 0.52 0.11 -1.05 -1.18 -4.98 118.70 112.21 1wgs s GLU 60 Ca -0.03 -1.45 -0.19 0.00 -0.15 0.00 0.00 54.97 53.16 1wgs s GLU 60 Cb 0.00 -0.22 -0.07 0.00 -0.44 0.00 0.00 34.13 33.40 1wgs s GLU 60 CO 0.24 -0.09 1.06 -1.58 0.95 0.00 0.00 175.26 175.83 1wgs s TRP 61 N -3.66 2.95 0.39 4.83 0.52 -1.26 -2.45 118.94 120.25 1wgs s TRP 61 Ca 0.19 1.56 0.05 0.00 0.02 0.00 0.00 56.10 57.92 1wgs s TRP 61 Cb 0.06 -3.08 -0.02 0.00 -1.15 0.00 0.00 33.47 29.28 1wgs s TRP 61 CO 0.00 -1.01 0.18 1.33 0.02 0.00 0.00 176.95 177.48 1wgs n VAL 62 N -1.30 0.00 -4.21 4.03 0.24 0.19 -4.86 118.33 112.42 1wgs n VAL 62 Ca 0.09 -2.38 -0.30 0.00 -2.04 0.00 0.00 64.34 59.72 1wgs n VAL 62 Cb 0.52 0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 33.75 1wgs n VAL 62 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wgs s ASP 63 N -3.45 4.47 0.19 -1.34 1.01 -1.26 -1.72 116.67 114.57 1wgs s ASP 63 Ca 0.26 -0.37 -0.16 0.00 0.71 0.00 0.00 52.55 52.99 1wgs s ASP 63 Cb 0.01 -0.88 0.15 0.00 1.01 0.00 0.00 42.92 43.22 1wgs s ASP 63 CO 0.18 0.17 1.65 0.11 0.21 0.00 0.00 175.17 177.49 1wgs h LYS 64 N 3.52 -0.01 -0.44 8.23 1.57 -1.93 0.12 116.57 127.63 1wgs h LYS 64 Ca -0.49 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1wgs h LYS 64 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 1wgs h LYS 64 CO 0.53 -0.01 0.12 -0.91 -0.57 0.00 0.00 179.45 178.62 1wgs h ASN 65 N -0.01 0.09 -0.17 0.86 2.35 -1.98 0.27 115.58 116.98 1wgs h ASN 65 Ca 0.24 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 56.10 1wgs h ASN 65 Cb 0.38 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1wgs h ASN 65 CO -0.52 0.08 0.24 0.03 -1.65 0.00 0.00 177.43 175.61 1wgs h ARG 66 N 0.27 0.00 -7.05 0.81 3.08 -1.23 -3.41 114.38 106.85 1wgs h ARG 66 Ca 0.21 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.80 1wgs h ARG 66 Cb 0.24 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.36 1wgs h ARG 66 CO -0.25 0.00 0.08 -0.51 -1.07 0.00 0.00 179.97 178.22 1wgs s LEU 67 N -7.19 3.05 -0.41 3.04 1.43 0.95 -0.64 118.68 118.91 1wgs s LEU 67 Ca -0.04 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1wgs s LEU 67 Cb 0.14 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1wgs s LEU 67 CO 0.50 -1.63 0.24 0.00 0.23 0.00 0.00 176.35 175.69 1wgs s ALA 68 N -3.04 3.26 -0.39 4.21 0.00 -0.74 -4.91 121.76 120.15 1wgs s ALA 68 Ca 0.63 -2.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 1wgs s ALA 68 Cb -0.07 -2.60 0.10 0.00 0.00 0.00 0.00 23.12 20.55 1wgs s ALA 68 CO 0.43 -1.60 0.17 -0.51 0.00 0.00 0.00 175.76 174.25 1wgs s LEU 69 N 1.43 5.05 0.33 0.00 1.43 -1.26 -4.70 118.68 120.96 1wgs s LEU 69 Ca 0.03 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.18 1wgs s LEU 69 Cb -0.22 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wgs s LEU 69 CO 0.02 -0.50 0.00 0.41 0.23 0.00 0.00 176.35 176.52 1wgs n THR 70 N 4.57 -0.57 0.13 5.49 -1.04 -1.26 -3.95 114.28 117.64 1wgs n THR 70 Ca -0.03 0.52 0.19 0.00 -2.04 0.00 0.00 64.05 62.69 1wgs n THR 70 Cb 0.42 -0.79 0.73 0.00 -1.82 0.00 0.00 70.33 68.86 1wgs n THR 70 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wgs h LYS 71 N -0.68 0.00 -0.94 -2.82 6.56 -2.03 -1.76 116.57 114.89 1wgs h LYS 71 Ca -0.10 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.67 1wgs h LYS 71 Cb 0.70 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.19 1wgs h LYS 71 CO 0.04 0.00 -0.25 2.41 -2.06 0.00 0.00 179.45 179.58 1wgs n THR 72 N -3.47 -0.41 -5.29 -0.16 -1.04 -1.26 -4.21 114.28 98.44 1wgs n THR 72 Ca 0.06 2.17 -0.31 0.00 -2.04 0.00 0.00 64.05 63.93 1wgs n THR 72 Cb 0.63 -2.98 -0.16 0.00 -1.82 0.00 0.00 70.33 66.00 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 -6.15 2.04 0.00 12.58 -7.23 -0.66 -5.10 120.40 115.88 1wgs s VAL 73 Ca -0.14 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1wgs s VAL 73 Cb 0.25 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1wgs s VAL 73 CO 0.73 0.58 0.00 0.29 -0.31 0.00 0.00 175.10 176.38 1wgs n LYS 74 N 2.58 -2.38 0.02 4.82 5.02 -1.26 -4.34 118.16 122.61 1wgs n LYS 74 Ca -0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.01 1wgs n LYS 74 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.45 1wgs n LYS 74 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1wgs h ASP 75 N 0.00 0.03 -1.68 4.39 3.58 -1.98 -3.45 116.42 117.31 1wgs h ASP 75 Ca 0.00 -0.10 0.20 0.00 0.42 0.00 0.00 57.03 57.55 1wgs h ASP 75 Cb 0.00 -0.01 -0.30 0.00 1.72 0.00 0.00 39.33 40.74 1wgs h ASP 75 CO 0.00 0.12 0.58 0.00 -2.88 0.00 0.00 179.24 177.07 1wgs s ALA 76 N -5.80 -2.72 -0.42 -0.78 0.00 -1.26 -5.03 121.76 105.76 1wgs s ALA 76 Ca -0.14 1.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 1wgs s ALA 76 Cb 0.05 -2.00 0.26 0.00 0.00 0.00 0.00 23.12 21.43 1wgs s ALA 76 CO 0.67 -0.51 2.08 1.33 0.00 0.00 0.00 175.76 179.32 1wgs n VAL 77 N 3.68 3.03 0.06 0.00 0.24 -1.26 -4.45 118.33 119.64 1wgs n VAL 77 Ca -0.15 -2.09 -0.08 0.00 -2.04 0.00 0.00 64.34 59.99 1wgs n VAL 77 Cb 0.56 -1.31 -0.06 0.00 -1.47 0.00 0.00 33.84 31.56 1wgs n VAL 77 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1wgs h GLN 78 N 1.73 -0.24 0.00 7.34 4.15 -2.02 -3.43 115.11 122.64 1wgs h GLN 78 Ca 0.38 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1wgs h GLN 78 Cb 0.86 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1wgs h GLN 78 CO 0.98 0.07 0.00 1.17 -1.93 0.00 0.00 178.83 179.12 1wgs n LYS 79 N -4.93 0.00 -2.17 1.69 4.81 -1.26 -5.09 118.16 111.20 1wgs n LYS 79 Ca -0.06 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.50 1wgs n LYS 79 Cb 0.22 -0.52 -0.01 0.00 0.02 0.00 0.00 35.03 34.73 1wgs n LYS 79 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1wgs n ASN 80 N -1.82 -5.71 -3.71 3.14 5.15 -1.26 -5.03 115.26 106.02 1wgs n ASN 80 Ca 0.00 1.36 -0.28 0.00 -0.60 0.00 0.00 54.58 55.07 1wgs n ASN 80 Cb 0.00 -4.39 -0.16 0.00 -0.53 0.00 0.00 39.78 34.70 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wgs s SER 81 N -0.50 2.95 -0.00 1.20 0.15 -1.26 -5.12 113.70 111.12 1wgs s SER 81 Ca -0.07 -0.88 -0.25 0.00 0.70 0.00 0.00 55.95 55.45 1wgs s SER 81 Cb 0.00 -0.55 0.05 0.00 -1.71 0.00 0.00 66.02 63.82 1wgs s SER 81 CO 0.20 -0.33 0.55 -1.61 1.20 0.00 0.00 173.24 173.26 1wgs s GLU 82 N 1.89 0.98 0.26 5.44 2.02 -1.26 -5.17 118.70 122.86 1wgs s GLU 82 Ca 0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.94 1wgs s GLU 82 Cb -0.17 0.45 0.06 0.00 0.10 0.00 0.00 34.13 34.58 1wgs s GLU 82 CO -0.11 -0.32 0.30 1.63 0.02 0.00 0.00 175.26 176.78 1wgs n LYS 83 N 0.77 -0.85 -4.45 1.61 5.02 -1.26 -5.09 118.16 113.92 1wgs n LYS 83 Ca -0.19 -0.47 -0.26 0.00 -2.02 0.00 0.00 58.31 55.37 1wgs n LYS 83 Cb 0.58 -0.36 -0.10 0.00 -0.02 0.00 0.00 35.03 35.13 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1wgs s TYR 84 N -1.61 2.51 -0.29 2.13 6.14 -1.26 -5.05 117.35 119.93 1wgs s TYR 84 Ca 0.18 -0.55 -0.40 0.00 0.64 0.00 0.00 57.07 56.94 1wgs s TYR 84 Cb -0.01 -1.62 -0.18 0.00 0.42 0.00 0.00 41.96 40.57 1wgs s TYR 84 CO 0.13 0.45 1.26 1.47 0.64 0.00 0.00 175.55 179.50 1wgs n LEU 85 N -0.96 0.69 -4.12 6.97 -0.00 -1.26 -4.86 117.00 113.46 1wgs n LEU 85 Ca -0.04 1.05 -0.37 0.00 -0.00 0.00 0.00 56.01 56.65 1wgs n LEU 85 Cb 0.64 -0.80 -0.07 0.00 -0.00 0.00 0.00 43.42 43.19 1wgs n LEU 85 CO 0.45 -1.09 0.23 -0.55 -0.00 0.00 0.00 177.39 176.43 1wgs s SER 86 N 1.71 5.76 -0.29 1.45 0.15 -1.26 -4.99 113.70 116.23 1wgs s SER 86 Ca 0.89 -3.28 -0.12 0.00 0.70 0.00 0.00 55.95 54.14 1wgs s SER 86 Cb -1.27 -1.92 0.12 0.00 -1.71 0.00 0.00 66.02 61.25 1wgs s SER 86 CO 0.65 -0.29 0.69 -0.70 1.20 0.00 0.00 173.24 174.79 1wgs s GLU 87 N -0.70 0.59 -0.01 5.44 -6.30 -1.26 -5.16 118.70 111.30 1wgs s GLU 87 Ca 0.22 1.33 0.02 0.00 -2.50 0.00 0.00 54.97 54.04 1wgs s GLU 87 Cb -0.13 0.63 0.00 0.00 0.00 0.00 0.00 34.13 34.64 1wgs s GLU 87 CO -0.08 -0.18 -0.06 -0.51 0.02 0.00 0.00 175.26 174.45 1wgs s LEU 88 N 2.49 1.82 0.00 2.70 2.01 -1.26 -5.14 118.68 121.31 1wgs s LEU 88 Ca -0.07 -0.12 -0.17 0.00 0.01 0.00 0.00 54.13 53.79 1wgs s LEU 88 Cb -0.10 -0.36 0.06 0.00 0.01 0.00 0.00 46.19 45.80 1wgs s LEU 88 CO -0.19 0.04 0.79 0.00 1.01 0.00 0.00 176.35 178.00 1wgs n ALA 89 N 3.23 -2.13 -2.07 4.21 0.00 -1.26 -5.09 120.51 117.40 1wgs n ALA 89 Ca -0.17 -0.64 -0.37 0.00 0.00 0.00 0.00 53.44 52.26 1wgs n ALA 89 Cb 0.56 0.27 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 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 -2.02 2.65 0.64 0.00 2.12 -1.26 -4.96 118.70 115.88 1wgs s GLU 90 Ca 0.18 0.43 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 1wgs s GLU 90 Cb -0.01 -4.47 -0.01 0.00 0.26 0.00 0.00 34.13 29.89 1wgs s GLU 90 CO 0.02 -2.78 1.25 1.14 -0.54 0.00 0.00 175.26 174.35 1wgs s GLN 91 N 6.95 2.62 -0.40 4.30 0.00 -1.26 -4.91 119.66 126.96 1wgs s GLN 91 Ca 0.66 1.93 -0.29 0.00 -0.00 0.00 0.00 55.36 57.66 1wgs s GLN 91 Cb -0.11 -1.87 0.01 0.00 0.00 0.00 0.00 33.01 31.03 1wgs s GLN 91 CO 0.17 -1.51 1.40 -1.25 0.00 0.00 0.00 175.29 174.10 1wgs s PRO 92 N -3.46 3.62 -0.30 9.60 0.04 -1.26 -4.93 135.00 138.31 1wgs s PRO 92 Ca 0.79 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1wgs s PRO 92 Cb -0.34 -4.01 0.19 0.00 0.04 0.00 0.00 34.50 30.38 1wgs s PRO 92 CO 0.38 -1.51 0.69 -2.00 0.04 0.00 0.00 177.00 174.61 1wgs s GLU 93 N 4.84 0.49 0.07 4.56 -6.30 -1.26 -5.16 118.70 115.94 1wgs s GLU 93 Ca 0.61 0.82 -0.18 0.00 -2.50 0.00 0.00 54.97 53.72 1wgs s GLU 93 Cb -0.14 0.45 0.04 0.00 0.00 0.00 0.00 34.13 34.48 1wgs s GLU 93 CO 0.31 -0.57 0.42 -0.98 0.02 0.00 0.00 175.26 174.46 1wgs s ARG 94 N 2.88 0.98 -0.37 4.30 1.70 -1.26 -5.11 118.95 122.06 1wgs s ARG 94 Ca 0.16 -0.45 -0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1wgs s ARG 94 Cb -0.13 0.44 0.23 0.00 -0.57 0.00 0.00 34.95 34.91 1wgs s ARG 94 CO -0.20 -0.35 1.08 1.17 -1.08 0.00 0.00 175.30 175.92 1wgs n LYS 95 N 0.27 0.23 -0.74 3.89 3.00 -1.26 -5.16 118.16 118.40 1wgs n LYS 95 Ca -0.18 -1.01 -0.28 0.00 -0.00 0.00 0.00 58.31 56.84 1wgs n LYS 95 Cb 0.61 -0.33 0.23 0.00 0.00 0.00 0.00 35.03 35.54 1wgs n LYS 95 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1wgs s ILE 96 N 0.67 2.01 -0.03 3.15 2.07 -1.26 -5.06 121.20 122.75 1wgs s ILE 96 Ca 0.26 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.21 1wgs s ILE 96 Cb 0.15 -2.20 0.10 0.00 0.13 0.00 0.00 42.46 40.64 1wgs s ILE 96 CO -0.11 -0.00 0.90 0.28 -1.91 0.00 0.00 174.94 174.10 1wgs s THR 97 N -2.62 0.00 0.00 4.00 -1.32 -1.26 -5.19 115.64 109.26 1wgs s THR 97 Ca 0.68 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.16 1wgs s THR 97 Cb -0.23 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 1wgs s THR 97 CO 0.63 0.00 0.00 0.54 -2.21 0.00 0.00 174.62 173.58 1wgs n ARG 98 N -0.12 0.00 0.00 7.08 5.12 -1.26 -5.19 116.66 122.29 1wgs n ARG 98 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1wgs n ARG 98 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1wgs n ARG 98 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1wgs n ASN 99 N 0.00 0.00 -3.60 0.55 0.23 -1.26 -5.19 115.26 105.99 1wgs n ASN 99 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.02 1wgs n ASN 99 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1wgs n ASN 99 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1wgs s GLN 100 N -2.00 0.40 0.02 -3.83 2.00 -1.26 -5.19 119.66 109.80 1wgs s GLN 100 Ca 0.00 -0.17 -0.29 0.00 -2.00 0.00 0.00 55.36 52.90 1wgs s GLN 100 Cb 0.00 0.17 0.11 0.00 0.80 0.00 0.00 33.01 34.09 1wgs s GLN 100 CO 0.00 -0.18 1.23 -1.59 -0.50 0.00 0.00 175.29 174.25 1wgs s LYS 101 N -2.51 0.56 -0.28 1.67 0.00 -1.26 -5.19 119.74 112.73 1wgs s LYS 101 Ca 0.10 -0.32 -0.28 0.00 0.00 0.00 0.00 55.97 55.48 1wgs s LYS 101 Cb 0.00 0.18 0.19 0.00 0.00 0.00 0.00 37.83 38.20 1wgs s LYS 101 CO -0.05 -0.26 1.36 0.50 0.00 0.00 0.00 175.35 176.91 1wgs s ARG 102 N -2.49 0.10 -0.16 1.78 3.52 -1.26 -5.18 118.95 115.26 1wgs s ARG 102 Ca 0.16 0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 55.62 1wgs s ARG 102 Cb 0.03 0.05 0.05 0.00 -1.56 0.00 0.00 34.95 33.52 1wgs s ARG 102 CO -0.02 -0.02 0.53 0.15 -0.81 0.00 0.00 175.30 175.13 1wgs s LYS 103 N -0.61 0.69 0.17 5.12 -0.14 -1.26 -5.17 119.74 118.54 1wgs s LYS 103 Ca 0.08 0.59 -0.14 0.00 -1.36 0.00 0.00 55.97 55.14 1wgs s LYS 103 Cb -0.02 0.33 0.01 0.00 -1.68 0.00 0.00 37.83 36.47 1wgs s LYS 103 CO -0.10 -0.12 0.41 -3.38 -0.76 0.00 0.00 175.35 171.40 1wgs s HIS 104 N -0.07 0.09 -0.06 3.18 -3.43 -1.26 -5.18 115.29 108.56 1wgs s HIS 104 Ca -0.03 -0.45 -0.32 0.00 -0.80 0.00 0.00 55.06 53.47 1wgs s HIS 104 Cb -0.03 0.19 0.13 0.00 -1.43 0.00 0.00 32.58 31.43 1wgs s HIS 104 CO 0.02 -0.81 1.29 0.16 -2.00 0.00 0.00 174.74 173.40 1wgs s ASP 105 N -2.91 -0.07 -0.22 7.38 1.47 -1.26 -5.18 116.67 115.89 1wgs s ASP 105 Ca 0.12 -0.10 -0.19 0.00 1.18 0.00 0.00 52.55 53.56 1wgs s ASP 105 Cb 0.01 0.14 0.06 0.00 -0.34 0.00 0.00 42.92 42.79 1wgs s ASP 105 CO -0.03 -0.26 0.58 -0.70 0.68 0.00 0.00 175.17 175.44 1wgs s GLU 106 N -2.38 0.66 0.96 2.11 2.12 -1.26 -5.17 118.70 115.74 1wgs s GLU 106 Ca 0.13 0.85 -0.16 0.00 0.36 0.00 0.00 54.97 56.15 1wgs s GLU 106 Cb 0.04 0.28 0.19 0.00 0.26 0.00 0.00 34.13 34.90 1wgs s GLU 106 CO -0.04 -0.09 1.29 0.96 -0.54 0.00 0.00 175.26 176.83 1wgs s ILE 107 N 0.54 1.97 -0.16 -3.70 -5.25 -1.26 -5.10 121.20 108.24 1wgs s ILE 107 Ca -0.02 0.00 -0.32 0.00 -0.99 0.00 0.00 60.65 59.32 1wgs s ILE 107 Cb -0.05 -2.96 0.14 0.00 2.95 0.00 0.00 42.46 42.54 1wgs s ILE 107 CO -0.03 0.00 1.12 0.20 -1.79 0.00 0.00 174.94 174.44 1wgs s ASN 108 N -4.77 -0.22 -0.07 4.36 0.01 -1.26 -5.19 114.94 107.80 1wgs s ASN 108 Ca 0.72 0.09 -0.32 0.00 -0.71 0.00 0.00 52.86 52.65 1wgs s ASN 108 Cb -0.05 0.21 0.12 0.00 0.41 0.00 0.00 41.25 41.94 1wgs s ASN 108 CO 0.53 -0.31 1.18 -2.28 -1.51 0.00 0.00 177.10 174.71 1wgs s HIS 109 N -2.08 -0.12 -0.01 2.20 2.46 -1.26 -5.18 115.29 111.29 1wgs s HIS 109 Ca 0.06 0.02 -0.06 0.00 0.47 0.00 0.00 55.06 55.55 1wgs s HIS 109 Cb -0.01 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.99 1wgs s HIS 109 CO -0.05 -0.32 0.13 0.54 -2.47 0.00 0.00 174.74 172.57 1wgs s VAL 110 N -2.58 0.06 0.06 0.89 0.11 -1.26 -5.17 120.40 112.51 1wgs s VAL 110 Ca 0.11 -0.48 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 1wgs s VAL 110 Cb 0.01 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1wgs s VAL 110 CO -0.04 -0.26 0.28 -1.10 -3.33 0.00 0.00 175.10 170.65 1wgs s GLN 111 N -0.91 0.82 -0.20 1.54 -1.52 -1.26 -5.17 119.66 112.97 1wgs s GLN 111 Ca -0.10 -0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.42 1wgs s GLN 111 Cb -0.06 0.35 0.13 0.00 -0.22 0.00 0.00 33.01 33.22 1wgs s GLN 111 CO 0.01 -0.27 1.05 0.21 -0.25 0.00 0.00 175.29 176.04 1wgs s LYS 112 N -2.84 0.51 0.18 2.91 2.36 -1.26 -5.19 119.74 116.42 1wgs s LYS 112 Ca -0.03 0.20 -0.10 0.00 -2.55 0.00 0.00 55.97 53.50 1wgs s LYS 112 Cb 0.00 0.24 -0.01 0.00 -1.05 0.00 0.00 37.83 37.02 1wgs s LYS 112 CO -0.05 -0.14 0.33 0.99 1.55 0.00 0.00 175.35 178.03 1wgs s THR 113 N -0.84 0.05 0.34 3.43 2.01 -1.26 -5.18 115.64 114.19 1wgs s THR 113 Ca 0.00 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.60 1wgs s THR 113 Cb -0.01 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1wgs s THR 113 CO -0.01 -0.21 0.47 -0.72 -0.69 0.00 0.00 174.62 173.46 1wgs s TYR 114 N -3.98 1.03 0.00 4.92 -0.85 -1.26 -5.18 117.35 112.04 1wgs s TYR 114 Ca 0.19 -1.27 -0.03 0.00 -0.52 0.00 0.00 57.07 55.44 1wgs s TYR 114 Cb 0.02 -0.07 -0.01 0.00 0.38 0.00 0.00 41.96 42.29 1wgs s TYR 114 CO 0.02 -1.13 0.04 0.00 -1.52 0.00 0.00 175.55 172.97 1wgs s ALA 115 N -3.10 -0.08 -0.28 9.51 0.00 -1.26 -5.14 121.76 121.42 1wgs s ALA 115 Ca 0.30 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 1wgs s ALA 115 Cb -0.00 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1wgs s ALA 115 CO 0.20 -0.15 0.24 -1.21 0.00 0.00 0.00 175.76 174.84 1wgs s GLU 116 N -1.10 3.97 0.35 0.00 2.02 -1.26 -5.08 118.70 117.61 1wgs s GLU 116 Ca -0.12 -0.21 0.06 0.00 0.02 0.00 0.00 54.97 54.71 1wgs s GLU 116 Cb -0.07 -3.66 -0.01 0.00 0.10 0.00 0.00 34.13 30.50 1wgs s GLU 116 CO 0.00 -0.20 0.50 0.00 0.02 0.00 0.00 175.26 175.57 1wgs s MET 117 N 1.83 3.11 0.37 1.61 0.23 -1.26 -5.08 119.30 120.12 1wgs s MET 117 Ca 0.09 -0.94 -0.26 0.00 -1.03 0.00 0.00 55.69 53.55 1wgs s MET 117 Cb -0.16 -2.79 -0.09 0.00 -1.53 0.00 0.00 34.83 30.27 1wgs s MET 117 CO 0.11 0.02 1.16 0.34 -2.03 0.00 0.00 175.02 174.62 1wgs s ASP 118 N -4.18 6.70 0.00 -1.18 2.15 -1.26 -5.00 116.67 113.91 1wgs s ASP 118 Ca 0.45 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.78 1wgs s ASP 118 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1wgs s ASP 118 CO 0.32 -0.55 0.23 -0.81 -0.17 0.00 0.00 175.17 174.19 1wgs n PRO 119 N 0.35 0.00 -3.58 4.34 -0.04 -1.26 -5.02 135.00 129.78 1wgs n PRO 119 Ca 0.03 0.41 -0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1wgs n PRO 119 Cb 0.46 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.82 1wgs n PRO 119 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wgs s THR 120 N -1.28 0.00 0.07 0.52 -1.32 -1.26 -5.18 115.64 107.18 1wgs s THR 120 Ca 0.00 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 1wgs s THR 120 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1wgs s THR 120 CO 0.00 0.00 0.23 0.28 -2.21 0.00 0.00 174.62 172.92 1wgs s THR 121 N -0.54 0.11 -0.01 5.08 -1.32 -1.26 -5.17 115.64 112.54 1wgs s THR 121 Ca -0.03 -0.94 -0.28 0.00 -1.21 0.00 0.00 61.69 59.23 1wgs s THR 121 Cb -0.02 -1.12 0.09 0.00 -1.51 0.00 0.00 72.50 69.94 1wgs s THR 121 CO 0.02 -0.52 1.27 0.00 -2.21 0.00 0.00 174.62 173.18 1wgs s ALA 122 N -3.22 -2.42 0.16 11.08 0.00 -1.26 -5.19 121.76 120.92 1wgs s ALA 122 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1wgs s ALA 122 Cb 0.02 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1wgs s ALA 122 CO -0.08 -1.14 0.04 0.00 0.00 0.00 0.00 175.76 174.58 1wgs n ALA 123 N -0.88 0.17 -2.04 0.00 0.00 -1.26 -5.15 120.51 111.35 1wgs n ALA 123 Ca 0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1wgs n ALA 123 Cb 0.59 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.00 -0.00 -1.26 -5.15 117.00 110.59 1wgs n LEU 124 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1wgs n LEU 124 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1wgs n LEU 124 CO 0.11 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.71 1wgs n GLU 125 N 0.00 0.00 -2.93 1.47 2.13 -1.26 -5.17 120.64 114.88 1wgs n GLU 125 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 1wgs n GLU 125 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1wgs n GLU 125 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1wgs s LYS 126 N 0.00 3.58 0.19 5.31 -2.85 -1.26 -5.09 119.74 119.63 1wgs s LYS 126 Ca 0.00 0.10 -0.23 0.00 -1.00 0.00 0.00 55.97 54.84 1wgs s LYS 126 Cb 0.00 -2.48 0.06 0.00 -2.06 0.00 0.00 37.83 33.35 1wgs s LYS 126 CO 0.00 -0.04 0.92 -1.83 0.10 0.00 0.00 175.35 174.50 1wgs s GLU 127 N -4.33 1.38 0.14 1.78 -1.05 -1.26 -5.19 118.70 110.17 1wgs s GLU 127 Ca 0.46 -0.79 -0.25 0.00 -0.15 0.00 0.00 54.97 54.24 1wgs s GLU 127 Cb -0.10 0.45 0.08 0.00 -0.44 0.00 0.00 34.13 34.12 1wgs s GLU 127 CO 0.39 -0.64 1.05 -1.54 0.95 0.00 0.00 175.26 175.47 1wgs s SER 128 N -3.00 -0.09 -0.04 0.83 1.04 -1.26 -5.19 113.70 105.99 1wgs s SER 128 Ca 0.13 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 1wgs s SER 128 Cb -0.03 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.59 1wgs s SER 128 CO 0.04 -0.83 0.64 -0.83 0.98 0.00 0.00 173.24 173.25 1wgs s GLY 129 N -3.14 -0.54 0.33 7.32 0.00 -1.26 -5.18 107.32 104.86 1wgs s GLY 129 Ca 0.17 1.22 -0.06 0.00 0.00 0.00 0.00 44.72 46.05 1wgs s GLY 129 CO 0.02 0.87 0.37 -1.55 0.00 0.00 0.00 173.10 172.81 1wgs n PRO 130 N 0.94 -1.03 0.08 2.90 -0.04 -1.26 -5.06 135.00 131.53 1wgs n PRO 130 Ca -0.19 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 1wgs n PRO 130 Cb 0.57 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.57 1wgs n PRO 130 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wgs n SER 131 N -3.41 0.31 -4.12 3.54 7.64 -1.26 -5.10 113.62 111.22 1wgs n SER 131 Ca 0.05 0.28 -0.36 0.00 1.01 0.00 0.00 58.87 59.85 1wgs n SER 131 Cb 0.18 0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.52 1wgs n SER 131 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgs n SER 132 N -3.34 -4.30 0.00 6.43 7.64 -1.26 -5.39 113.62 113.39 1wgs n SER 132 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1wgs n SER 132 Cb 0.04 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64