#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmu s LEU 2 N 0.00 4.42 -0.19 3.17 2.96 -1.23 -4.92 118.68 122.88 1gmu s LEU 2 Ca 0.00 1.57 -0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1gmu s LEU 2 Cb 0.00 -3.42 -0.00 0.00 0.50 0.00 0.00 46.19 43.27 1gmu s LEU 2 CO 0.00 -0.11 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.51 1gmu s TYR 3 N 0.42 2.88 -0.42 5.38 1.51 -1.26 0.08 117.35 125.95 1gmu s TYR 3 Ca 0.45 -1.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.28 1gmu s TYR 3 Cb -0.21 -2.01 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1gmu s TYR 3 CO 0.26 -0.54 0.48 -0.51 -1.11 0.00 0.00 175.55 174.13 1gmu s LEU 4 N 1.20 4.74 0.00 -1.29 1.43 0.31 -4.15 118.68 120.93 1gmu s LEU 4 Ca 0.02 -0.55 0.13 0.00 -1.03 0.00 0.00 54.13 52.70 1gmu s LEU 4 Cb -0.14 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.67 1gmu s LEU 4 CO -0.04 -0.61 0.85 0.35 0.23 0.00 0.00 176.35 177.13 1gmu n THR 5 N 5.52 0.00 -3.56 5.49 -2.24 -0.65 -0.70 114.28 118.14 1gmu n THR 5 Ca -0.06 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 1gmu n THR 5 Cb 0.48 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.89 1gmu n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmu s GLN 6 N -1.26 1.11 -0.22 -0.78 -2.07 -1.10 -4.56 119.66 110.77 1gmu s GLN 6 Ca 0.14 -0.50 -0.01 0.00 -1.82 0.00 0.00 55.36 53.17 1gmu s GLN 6 Cb 0.11 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.55 1gmu s GLN 6 CO 0.22 -0.44 -0.11 0.50 -1.32 0.00 0.00 175.29 174.14 1gmu s ARG 7 N -3.35 2.92 0.31 9.60 3.52 -1.26 -1.43 118.95 129.25 1gmu s ARG 7 Ca -0.00 -0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 1gmu s ARG 7 Cb 0.00 -2.84 -0.10 0.00 -1.56 0.00 0.00 34.95 30.45 1gmu s ARG 7 CO -0.09 -0.32 1.29 -0.51 -0.81 0.00 0.00 175.30 174.86 1gmu s LEU 8 N 1.32 4.44 0.11 -0.88 1.02 -1.08 -4.90 118.68 118.70 1gmu s LEU 8 Ca 0.02 2.60 0.10 0.00 0.02 0.00 0.00 54.13 56.87 1gmu s LEU 8 Cb -0.15 -3.64 -0.17 0.00 0.02 0.00 0.00 46.19 42.25 1gmu s LEU 8 CO -0.07 -0.49 1.15 -0.08 0.02 0.00 0.00 176.35 176.88 1gmu h GLU 9 N 3.75 0.00 -3.70 1.70 4.81 -1.99 -3.38 114.58 115.78 1gmu h GLU 9 Ca -0.48 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.05 1gmu h GLU 9 Cb 1.22 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.25 1gmu h GLU 9 CO 0.68 0.77 -0.39 0.42 -0.73 0.00 0.00 179.01 179.76 1gmu s ILE 10 N -2.74 3.64 0.34 2.32 1.01 -1.26 -5.08 121.20 119.42 1gmu s ILE 10 Ca 0.00 -2.85 -0.29 0.00 0.00 0.00 0.00 60.65 57.51 1gmu s ILE 10 Cb 0.09 -3.39 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 1gmu s ILE 10 CO 0.81 -0.85 1.49 -0.81 0.00 0.00 0.00 174.94 175.57 1gmu n PRO 11 N 3.62 2.55 -2.05 2.79 -0.04 -1.26 -5.03 135.00 135.59 1gmu n PRO 11 Ca 0.06 0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 64.32 1gmu n PRO 11 Cb 0.38 -2.62 0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1gmu n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gmu n ALA 12 N 1.07 0.62 -2.40 0.55 0.00 -1.26 -5.03 120.51 114.07 1gmu n ALA 12 Ca 0.05 -1.08 -0.43 0.00 0.00 0.00 0.00 53.44 51.98 1gmu n ALA 12 Cb 0.37 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1gmu n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gmu s ALA 13 N -2.36 3.09 0.02 0.00 0.00 -1.26 -4.99 121.76 116.26 1gmu s ALA 13 Ca 0.30 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1gmu s ALA 13 Cb -0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1gmu s ALA 13 CO 0.19 -2.32 0.89 0.00 0.00 0.00 0.00 175.76 174.53 1gmu s ALA 14 N 5.18 3.24 -1.14 0.00 0.00 -1.26 -4.70 121.76 123.08 1gmu s ALA 14 Ca 0.59 0.43 0.10 0.00 0.00 0.00 0.00 51.96 53.08 1gmu s ALA 14 Cb -0.13 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1gmu s ALA 14 CO 0.32 -0.12 0.77 0.25 0.00 0.00 0.00 175.76 176.98 1gmu n THR 15 N 3.48 0.00 -4.04 0.00 -2.24 -1.05 -4.94 114.28 105.50 1gmu n THR 15 Ca 0.03 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1gmu n THR 15 Cb 0.51 1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 1gmu n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gmu s ALA 16 N -0.88 0.37 0.15 6.98 0.00 -1.20 -5.08 121.76 122.10 1gmu s ALA 16 Ca 0.11 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1gmu s ALA 16 Cb 0.08 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1gmu s ALA 16 CO 0.14 -0.55 0.09 -1.54 0.00 0.00 0.00 175.76 173.90 1gmu s SER 17 N -2.99 0.25 -0.09 0.00 1.04 -1.26 -0.61 113.70 110.04 1gmu s SER 17 Ca 0.18 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 1gmu s SER 17 Cb 0.05 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1gmu s SER 17 CO -0.01 -0.77 0.21 0.54 0.98 0.00 0.00 173.24 174.19 1gmu s VAL 18 N -4.07 -0.08 -0.32 5.02 0.11 -0.41 -0.89 120.40 119.75 1gmu s VAL 18 Ca 0.27 0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 59.40 1gmu s VAL 18 Cb 0.07 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1gmu s VAL 18 CO 0.04 0.08 0.17 -0.89 -3.33 0.00 0.00 175.10 171.16 1gmu s THR 19 N 1.38 4.65 0.06 5.04 2.01 -1.26 -0.88 115.64 126.64 1gmu s THR 19 Ca -0.08 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1gmu s THR 19 Cb -0.11 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1gmu s THR 19 CO -0.07 0.02 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.98 1gmu s LEU 20 N 1.61 2.26 0.67 4.42 1.43 -0.35 -4.77 118.68 123.94 1gmu s LEU 20 Ca 0.04 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1gmu s LEU 20 Cb -0.17 -0.46 -0.00 0.00 0.03 0.00 0.00 46.19 45.58 1gmu s LEU 20 CO 0.07 -0.08 1.05 -2.16 0.23 0.00 0.00 176.35 175.46 1gmu s PRO 21 N -1.62 3.09 0.32 1.29 0.04 -1.26 -1.11 135.00 135.75 1gmu s PRO 21 Ca -0.03 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.52 1gmu s PRO 21 Cb -0.10 -2.07 0.56 0.00 0.04 0.00 0.00 34.50 32.94 1gmu s PRO 21 CO 0.02 -0.85 1.97 0.97 0.04 0.00 0.00 177.00 179.14 1gmu h ILE 22 N -0.49 1.14 -0.17 0.56 6.09 -1.90 -1.61 117.51 121.12 1gmu h ILE 22 Ca -0.45 -0.33 0.03 0.00 -1.37 0.00 0.00 64.86 62.74 1gmu h ILE 22 Cb 1.23 0.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 1gmu h ILE 22 CO 0.63 0.18 0.12 0.44 -3.07 0.00 0.00 178.15 176.45 1gmu h ASP 23 N 0.97 0.08 0.58 2.19 5.19 -1.97 -1.32 116.42 122.14 1gmu h ASP 23 Ca 0.31 -0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.43 1gmu h ASP 23 Cb 0.02 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1gmu h ASP 23 CO -0.09 0.06 -1.51 0.58 -3.12 0.00 0.00 179.24 175.16 1gmu h VAL 24 N 0.10 1.12 0.00 -1.35 2.07 -1.74 -3.32 116.25 113.13 1gmu h VAL 24 Ca 0.08 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.72 1gmu h VAL 24 Cb 0.19 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1gmu h VAL 24 CO -0.01 0.72 0.00 0.54 0.02 0.00 0.00 177.57 178.84 1gmu n ARG 25 N -3.26 0.27 -0.09 1.57 1.74 -0.54 -1.76 116.66 114.59 1gmu n ARG 25 Ca -0.14 0.12 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 1gmu n ARG 25 Cb 1.02 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 31.05 1gmu n ARG 25 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1gmu n VAL 26 N -1.25 0.58 -3.50 1.55 0.24 -0.93 -1.43 118.33 113.60 1gmu n VAL 26 Ca 0.08 -0.79 -0.32 0.00 -2.04 0.00 0.00 64.34 61.27 1gmu n VAL 26 Cb 0.12 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 1gmu n VAL 26 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1gmu s LYS 27 N -0.91 3.77 -0.14 7.34 1.02 -0.72 -4.84 119.74 125.27 1gmu s LYS 27 Ca 0.16 0.19 0.17 0.00 0.02 0.00 0.00 55.97 56.50 1gmu s LYS 27 Cb 0.09 -2.77 -0.24 0.00 -0.52 0.00 0.00 37.83 34.39 1gmu s LYS 27 CO 0.13 0.40 0.29 -1.13 -0.92 0.00 0.00 175.35 174.11 1gmu n SER 28 N 0.15 0.27 -3.77 2.83 3.41 -1.26 -4.86 113.62 110.38 1gmu n SER 28 Ca -0.02 0.13 -0.27 0.00 -0.26 0.00 0.00 58.87 58.45 1gmu n SER 28 Cb 0.52 0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 65.05 1gmu n SER 28 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1gmu s ARG 29 N -2.60 0.79 -0.15 4.33 0.52 -1.26 -1.11 118.95 119.47 1gmu s ARG 29 Ca -0.08 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 1gmu s ARG 29 Cb 0.07 -1.90 0.12 0.00 0.52 0.00 0.00 34.95 33.76 1gmu s ARG 29 CO 0.83 -0.55 0.98 0.54 0.02 0.00 0.00 175.30 177.12 1gmu s VAL 30 N 1.83 0.00 -0.03 3.52 0.11 -1.08 -4.99 120.40 119.76 1gmu s VAL 30 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.83 1gmu s VAL 30 Cb -0.16 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.65 1gmu s VAL 30 CO -0.07 0.00 0.67 -0.75 -3.33 0.00 0.00 175.10 171.62 1gmu s LYS 31 N -1.25 4.41 0.31 1.54 2.47 -1.26 -0.58 119.74 125.38 1gmu s LYS 31 Ca -0.02 0.86 0.03 0.00 -1.56 0.00 0.00 55.97 55.28 1gmu s LYS 31 Cb -0.00 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.92 1gmu s LYS 31 CO 0.01 0.19 0.11 0.14 0.16 0.00 0.00 175.35 175.96 1gmu s VAL 32 N 0.37 0.62 -0.11 4.02 -7.23 0.07 -4.97 120.40 113.17 1gmu s VAL 32 Ca 0.35 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1gmu s VAL 32 Cb -0.18 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1gmu s VAL 32 CO 0.18 0.00 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.99 1gmu s THR 33 N -3.54 1.13 0.90 5.32 2.01 -1.26 -1.52 115.64 118.68 1gmu s THR 33 Ca 0.35 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1gmu s THR 33 Cb 0.06 -1.11 0.13 0.00 0.01 0.00 0.00 72.50 71.60 1gmu s THR 33 CO 0.15 0.38 1.10 -0.76 -0.69 0.00 0.00 174.62 174.80 1gmu s LEU 34 N 1.47 2.38 0.00 4.42 1.43 0.18 -4.64 118.68 123.91 1gmu s LEU 34 Ca 0.01 1.71 0.16 0.00 -1.03 0.00 0.00 54.13 54.98 1gmu s LEU 34 Cb -0.13 -4.12 0.98 0.00 0.03 0.00 0.00 46.19 42.94 1gmu s LEU 34 CO -0.06 -2.79 1.43 0.59 0.23 0.00 0.00 176.35 175.75 1gmu n ASN 35 N -4.00 0.00 -0.79 2.29 3.02 -0.07 -1.09 115.26 114.62 1gmu n ASN 35 Ca 0.08 -0.84 0.08 0.00 -0.03 0.00 0.00 54.58 53.87 1gmu n ASN 35 Cb 0.54 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.87 1gmu n ASN 35 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1gmu n ASP 36 N -0.88 2.94 0.00 6.41 5.68 -1.26 -4.97 116.55 124.47 1gmu n ASP 36 Ca 0.12 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 1gmu n ASP 36 Cb 0.06 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1gmu n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gmu n GLY 37 N 0.88 2.34 3.77 6.12 0.00 -0.25 -5.05 105.19 113.00 1gmu n GLY 37 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1gmu n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gmu s ARG 38 N -0.68 3.85 0.34 1.61 0.52 -1.26 -4.68 118.95 118.66 1gmu s ARG 38 Ca 0.00 2.27 -0.23 0.00 -0.52 0.00 0.00 55.73 57.25 1gmu s ARG 38 Cb 0.00 -2.72 -0.10 0.00 0.52 0.00 0.00 34.95 32.65 1gmu s ARG 38 CO 0.00 -0.63 0.91 -0.51 0.02 0.00 0.00 175.30 175.09 1gmu s ASP 39 N -0.64 7.15 0.02 0.23 1.11 -1.26 -0.65 116.67 122.63 1gmu s ASP 39 Ca 0.58 1.71 -0.14 0.00 0.18 0.00 0.00 52.55 54.89 1gmu s ASP 39 Cb -0.40 -2.53 0.02 0.00 1.07 0.00 0.00 42.92 41.07 1gmu s ASP 39 CO 0.52 -0.15 0.29 0.00 1.18 0.00 0.00 175.17 177.01 1gmu s ALA 40 N -1.80 -0.68 -0.10 5.23 0.00 -0.57 -3.58 121.76 120.26 1gmu s ALA 40 Ca 0.53 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1gmu s ALA 40 Cb -0.15 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1gmu s ALA 40 CO 0.20 -0.34 -0.22 0.20 0.00 0.00 0.00 175.76 175.60 1gmu s GLY 41 N -1.76 1.23 -0.10 0.00 0.00 0.11 -0.75 107.32 106.05 1gmu s GLY 41 Ca -0.09 -0.88 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 1gmu s GLY 41 CO -0.00 -0.23 0.78 1.08 0.00 0.00 0.00 173.10 174.73 1gmu s LEU 42 N 0.43 4.26 -0.40 0.66 1.43 0.25 -0.53 118.68 124.79 1gmu s LEU 42 Ca -0.17 1.22 0.10 0.00 -1.03 0.00 0.00 54.13 54.25 1gmu s LEU 42 Cb -0.17 -3.19 0.31 0.00 0.03 0.00 0.00 46.19 43.16 1gmu s LEU 42 CO 0.07 -0.25 0.66 -0.11 0.23 0.00 0.00 176.35 176.96 1gmu n LEU 43 N 4.39 0.88 -5.01 1.79 7.94 0.13 -2.64 117.00 124.48 1gmu n LEU 43 Ca 0.02 -4.94 -0.17 0.00 -1.11 0.00 0.00 56.01 49.81 1gmu n LEU 43 Cb 0.50 0.57 0.01 0.00 0.53 0.00 0.00 43.42 45.03 1gmu n LEU 43 CO 0.48 2.20 0.13 -0.76 -1.11 0.00 0.00 177.39 178.33 1gmu s LEU 44 N -2.00 3.72 0.58 -1.96 2.01 -0.27 -4.20 118.68 116.57 1gmu s LEU 44 Ca 0.39 -0.38 -0.17 0.00 0.01 0.00 0.00 54.13 53.98 1gmu s LEU 44 Cb 0.27 -2.68 -0.04 0.00 0.01 0.00 0.00 46.19 43.75 1gmu s LEU 44 CO -0.09 -0.70 1.08 -2.84 1.01 0.00 0.00 176.35 174.80 1gmu s PRO 45 N -4.32 3.29 0.72 1.29 0.02 -1.26 -4.73 135.00 130.02 1gmu s PRO 45 Ca 0.53 1.33 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 1gmu s PRO 45 Cb -0.10 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.42 1gmu s PRO 45 CO 0.33 -0.85 1.09 1.03 -0.33 0.00 0.00 177.00 178.27 1gmu s ARG 46 N -3.83 2.71 0.00 5.54 0.52 -1.26 -4.15 118.95 118.48 1gmu s ARG 46 Ca 0.66 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1gmu s ARG 46 Cb -0.18 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1gmu s ARG 46 CO 0.34 -1.17 0.00 0.41 0.02 0.00 0.00 175.30 174.90 1gmu n GLY 47 N -2.64 0.57 3.74 -3.53 0.00 -1.26 -5.05 105.19 97.01 1gmu n GLY 47 Ca 0.07 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1gmu n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gmu s LEU 48 N 0.00 3.72 -0.32 0.99 1.43 -1.26 -4.97 118.68 118.26 1gmu s LEU 48 Ca 0.00 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1gmu s LEU 48 Cb 0.00 -2.21 0.09 0.00 0.03 0.00 0.00 46.19 44.10 1gmu s LEU 48 CO 0.00 0.25 0.04 -0.22 0.23 0.00 0.00 176.35 176.65 1gmu s LEU 49 N -1.82 4.00 -0.19 1.79 2.96 -1.26 -4.54 118.68 119.63 1gmu s LEU 49 Ca 0.23 -1.93 -0.29 0.00 -0.22 0.00 0.00 54.13 51.91 1gmu s LEU 49 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 1gmu s LEU 49 CO 0.14 -0.36 1.39 -0.76 -1.32 0.00 0.00 176.35 175.44 1gmu s LEU 50 N 1.10 4.09 0.25 -0.68 1.43 -0.52 -5.01 118.68 119.34 1gmu s LEU 50 Ca 0.08 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1gmu s LEU 50 Cb -0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1gmu s LEU 50 CO -0.11 -0.94 0.42 -0.13 0.23 0.00 0.00 176.35 175.83 1gmu s ARG 51 N 3.92 3.49 0.31 1.70 1.81 -1.26 -4.86 118.95 124.05 1gmu s ARG 51 Ca 0.61 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.87 1gmu s ARG 51 Cb -0.23 -2.81 -0.11 0.00 -0.45 0.00 0.00 34.95 31.35 1gmu s ARG 51 CO 0.21 0.34 1.58 0.20 -0.68 0.00 0.00 175.30 176.96 1gmu s GLY 52 N -3.60 2.22 0.00 -3.53 0.00 -1.26 -1.42 107.32 99.73 1gmu s GLY 52 Ca 0.38 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1gmu s GLY 52 CO 0.31 2.52 0.00 0.61 0.00 0.00 0.00 173.10 176.54 1gmu n GLY 53 N 1.93 3.09 3.76 0.20 0.00 0.92 -4.95 105.19 110.14 1gmu n GLY 53 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1gmu n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gmu s ASP 54 N -0.90 5.78 -0.18 1.61 1.01 -0.51 -4.68 116.67 118.80 1gmu s ASP 54 Ca 0.00 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 55.79 1gmu s ASP 54 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 1gmu s ASP 54 CO 0.00 -1.20 -0.11 -0.69 0.21 0.00 0.00 175.17 173.37 1gmu s VAL 55 N -1.41 2.88 0.24 -1.27 1.01 -1.26 -0.14 120.40 120.44 1gmu s VAL 55 Ca 0.67 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.03 1gmu s VAL 55 Cb -0.35 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1gmu s VAL 55 CO 0.42 0.48 0.27 -0.76 0.00 0.00 0.00 175.10 175.51 1gmu s LEU 56 N 1.12 4.04 0.17 3.92 1.43 0.65 -2.65 118.68 127.36 1gmu s LEU 56 Ca 0.01 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1gmu s LEU 56 Cb -0.14 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1gmu s LEU 56 CO -0.03 -0.05 0.34 -0.94 0.23 0.00 0.00 176.35 175.90 1gmu s SER 57 N -3.88 -0.04 0.81 2.29 1.04 -0.51 -0.57 113.70 112.84 1gmu s SER 57 Ca 0.33 -0.74 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1gmu s SER 57 Cb -0.08 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.63 1gmu s SER 57 CO 0.27 -0.92 1.14 0.54 0.98 0.00 0.00 173.24 175.25 1gmu s ASN 58 N -2.93 4.08 0.26 7.02 2.20 -1.16 -1.63 114.94 122.77 1gmu s ASN 58 Ca 0.14 0.28 -0.04 0.00 -0.94 0.00 0.00 52.86 52.30 1gmu s ASN 58 Cb 0.02 -0.64 0.33 0.00 -2.00 0.00 0.00 41.25 38.96 1gmu s ASN 58 CO -0.02 -2.10 1.90 1.05 -2.94 0.00 0.00 177.10 175.00 1gmu h GLU 59 N -1.02 1.23 -0.00 3.55 4.11 -1.95 -2.36 114.58 118.14 1gmu h GLU 59 Ca -0.43 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1gmu h GLU 59 Cb 1.28 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1gmu h GLU 59 CO 0.49 0.81 -0.01 -0.85 0.07 0.00 0.00 179.01 179.53 1gmu n GLU 60 N -4.45 0.06 -3.08 1.06 0.00 -1.26 -4.95 120.64 108.03 1gmu n GLU 60 Ca 0.14 -0.00 -0.14 0.00 0.00 0.00 0.00 57.16 57.16 1gmu n GLU 60 Cb 0.10 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.09 1gmu n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gmu n GLY 61 N 1.47 -0.05 0.03 -1.84 0.00 -0.89 -4.94 105.19 98.97 1gmu n GLY 61 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1gmu n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmu n THR 62 N -3.63 0.00 -4.29 2.61 -2.24 -1.26 -4.98 114.28 100.49 1gmu n THR 62 Ca -0.09 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 1gmu n THR 62 Cb 0.57 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 1gmu n THR 62 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1gmu s GLU 63 N -0.94 1.01 -0.08 -0.78 2.56 -1.26 -5.06 118.70 114.16 1gmu s GLU 63 Ca 0.02 -0.20 0.01 0.00 0.00 0.00 0.00 54.97 54.80 1gmu s GLU 63 Cb 0.02 -0.94 0.02 0.00 2.00 0.00 0.00 34.13 35.23 1gmu s GLU 63 CO 0.08 -0.02 -0.10 -0.06 -0.56 0.00 0.00 175.26 174.60 1gmu s PHE 64 N 0.72 1.35 -0.11 5.30 0.40 -1.26 -2.96 117.98 121.42 1gmu s PHE 64 Ca -0.11 -0.54 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1gmu s PHE 64 Cb -0.14 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.35 1gmu s PHE 64 CO 0.01 -0.33 -0.19 0.08 0.70 0.00 0.00 175.22 175.49 1gmu s VAL 65 N 1.00 1.78 -0.05 -0.44 1.01 0.26 -2.51 120.40 121.45 1gmu s VAL 65 Ca -0.09 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1gmu s VAL 65 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1gmu s VAL 65 CO -0.00 0.50 0.52 -1.58 0.00 0.00 0.00 175.10 174.54 1gmu s GLN 66 N 0.72 4.27 0.15 2.72 0.74 0.22 -0.25 119.66 128.24 1gmu s GLN 66 Ca -0.11 0.58 -0.26 0.00 0.05 0.00 0.00 55.36 55.62 1gmu s GLN 66 Cb -0.16 -3.36 -0.08 0.00 1.10 0.00 0.00 33.01 30.51 1gmu s GLN 66 CO 0.02 0.33 0.79 0.08 -0.55 0.00 0.00 175.29 175.95 1gmu s VAL 67 N 0.02 4.40 -0.06 1.34 1.01 0.80 -1.29 120.40 126.61 1gmu s VAL 67 Ca 0.28 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1gmu s VAL 67 Cb -0.17 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1gmu s VAL 67 CO 0.14 0.50 -0.14 -0.63 0.00 0.00 0.00 175.10 174.97 1gmu s ILE 68 N -1.00 1.23 -0.05 2.22 -1.09 -0.06 -0.06 121.20 122.39 1gmu s ILE 68 Ca 0.37 -0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 1gmu s ILE 68 Cb -0.23 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.52 1gmu s ILE 68 CO 0.26 0.37 1.28 0.00 -1.23 0.00 0.00 174.94 175.62 1gmu s ALA 69 N 0.43 3.54 0.62 9.38 0.00 -1.26 -1.22 121.76 133.26 1gmu s ALA 69 Ca -0.11 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1gmu s ALA 69 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1gmu s ALA 69 CO 0.03 -0.87 1.04 0.00 0.00 0.00 0.00 175.76 175.97 1gmu s ALA 70 N 2.45 2.82 0.22 0.00 0.00 -0.27 -4.77 121.76 122.21 1gmu s ALA 70 Ca 0.59 0.19 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1gmu s ALA 70 Cb -0.27 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 1gmu s ALA 70 CO 0.23 -0.84 1.11 -0.51 0.00 0.00 0.00 175.76 175.74 1gmu s ASP 71 N -3.35 7.25 0.13 0.00 1.01 -1.26 -3.99 116.67 116.46 1gmu s ASP 71 Ca 0.60 2.18 0.04 0.00 0.71 0.00 0.00 52.55 56.08 1gmu s ASP 71 Cb -0.14 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1gmu s ASP 71 CO 0.44 -0.20 -0.10 -1.61 0.21 0.00 0.00 175.17 173.91 1gmu s GLU 72 N -0.82 1.00 -0.51 8.23 2.02 0.39 -4.77 118.70 124.24 1gmu s GLU 72 Ca 0.48 -1.36 -0.28 0.00 0.02 0.00 0.00 54.97 53.83 1gmu s GLU 72 Cb -0.31 -0.62 -0.00 0.00 0.10 0.00 0.00 34.13 33.30 1gmu s GLU 72 CO 0.38 0.08 1.63 -1.21 0.02 0.00 0.00 175.26 176.16 1gmu s GLU 73 N -3.43 3.13 0.12 1.61 8.01 -1.26 -1.81 118.70 125.06 1gmu s GLU 73 Ca 0.13 0.75 0.07 0.00 0.01 0.00 0.00 54.97 55.93 1gmu s GLU 73 Cb 0.01 -4.21 -0.04 0.00 -4.31 0.00 0.00 34.13 25.58 1gmu s GLU 73 CO 0.00 -2.12 -0.16 0.14 0.01 0.00 0.00 175.26 173.13 1gmu s VAL 74 N 7.07 1.44 0.15 2.63 -7.23 -0.16 -1.93 120.40 122.37 1gmu s VAL 74 Ca 0.63 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.98 1gmu s VAL 74 Cb -0.14 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 1gmu s VAL 74 CO 0.26 -0.31 0.59 -0.44 -0.31 0.00 0.00 175.10 174.89 1gmu s SER 75 N -2.28 6.92 -0.06 4.85 0.01 0.14 -1.17 113.70 122.11 1gmu s SER 75 Ca 0.08 1.18 0.04 0.00 1.31 0.00 0.00 55.95 58.57 1gmu s SER 75 Cb -0.07 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1gmu s SER 75 CO 0.04 0.12 -0.19 -0.69 0.41 0.00 0.00 173.24 172.93 1gmu s VAL 76 N -1.41 1.59 -0.24 3.43 1.01 0.78 -2.54 120.40 123.01 1gmu s VAL 76 Ca 0.37 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1gmu s VAL 76 Cb -0.16 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.92 1gmu s VAL 76 CO 0.19 0.45 0.01 -0.69 0.00 0.00 0.00 175.10 175.07 1gmu s VAL 77 N 0.12 1.10 -0.24 2.92 1.01 -0.36 -1.16 120.40 123.79 1gmu s VAL 77 Ca -0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.74 1gmu s VAL 77 Cb -0.13 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1gmu s VAL 77 CO 0.04 -0.27 0.10 -0.13 0.00 0.00 0.00 175.10 174.84 1gmu s ARG 78 N 1.57 3.84 -0.10 2.72 0.52 -1.26 -0.59 118.95 125.65 1gmu s ARG 78 Ca -0.00 -0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1gmu s ARG 78 Cb -0.18 -3.39 0.05 0.00 0.52 0.00 0.00 34.95 31.95 1gmu s ARG 78 CO -0.10 -0.04 0.23 0.00 0.02 0.00 0.00 175.30 175.40 1gmu n ASP 80 N 4.50 1.13 -4.21 0.00 8.00 -1.26 -4.42 116.55 120.29 1gmu n ASP 80 Ca -0.21 -1.74 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 1gmu n ASP 80 Cb 0.52 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 1gmu n ASP 80 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1gmu s ASP 81 N -1.38 5.96 0.45 -2.24 -1.08 -1.26 -4.94 116.67 112.17 1gmu s ASP 81 Ca 0.26 -2.68 0.23 0.00 -0.52 0.00 0.00 52.55 49.84 1gmu s ASP 81 Cb 0.13 -2.03 1.24 0.00 -1.46 0.00 0.00 42.92 40.80 1gmu s ASP 81 CO 0.20 -0.50 1.82 -0.65 0.52 0.00 0.00 175.17 176.56 1gmu h PRO 82 N 7.52 0.26 -0.19 4.34 0.11 -2.00 -0.31 132.00 141.74 1gmu h PRO 82 Ca 0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1gmu h PRO 82 Cb 1.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1gmu h PRO 82 CO 0.75 0.17 -0.01 0.35 -0.21 0.00 0.00 178.00 179.06 1gmu h PHE 83 N 0.27 0.37 -0.78 0.65 -0.00 -1.97 -1.36 116.94 114.11 1gmu h PHE 83 Ca 0.53 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 58.44 1gmu h PHE 83 Cb 1.59 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 37.40 1gmu h PHE 83 CO -0.00 0.55 0.51 1.98 -0.00 0.00 0.00 178.31 181.34 1gmu h MET 84 N 0.09 1.04 -0.41 1.11 4.05 -1.51 -2.13 114.93 117.17 1gmu h MET 84 Ca 0.05 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1gmu h MET 84 Cb 0.40 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1gmu h MET 84 CO 0.01 0.71 -0.06 -0.07 0.23 0.00 0.00 176.91 177.73 1gmu h LEU 85 N 1.07 0.67 -0.49 3.39 3.38 -1.20 -1.77 115.31 120.36 1gmu h LEU 85 Ca 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1gmu h LEU 85 Cb -0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1gmu h LEU 85 CO -0.06 0.78 0.21 0.00 0.09 0.00 0.00 178.44 179.46 1gmu h ALA 86 N 1.29 0.63 -0.52 1.53 0.00 -0.62 0.18 119.26 121.75 1gmu h ALA 86 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1gmu h ALA 86 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1gmu h ALA 86 CO 0.03 0.22 0.07 0.87 0.00 0.00 0.00 179.25 180.44 1gmu h LYS 87 N 0.64 0.83 -0.66 0.00 1.57 -1.19 -1.72 116.57 116.05 1gmu h LYS 87 Ca 0.16 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1gmu h LYS 87 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1gmu h LYS 87 CO -0.02 0.79 0.11 0.00 -0.57 0.00 0.00 179.45 179.76 1gmu h ALA 88 N 1.29 0.88 -0.72 3.86 0.00 -0.85 -2.13 119.26 121.58 1gmu h ALA 88 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1gmu h ALA 88 Cb 0.37 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1gmu h ALA 88 CO 0.01 0.64 0.33 0.00 0.00 0.00 0.00 179.25 180.23 1gmu h TYR 90 N 1.03 0.63 -0.62 0.00 3.20 -1.02 -0.28 116.97 119.91 1gmu h TYR 90 Ca 0.25 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1gmu h TYR 90 Cb 0.13 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1gmu h TYR 90 CO 0.01 0.62 0.33 0.00 -1.64 0.00 0.00 178.16 177.49 1gmu h ALA 91 N 0.93 0.80 -0.23 1.82 0.00 -1.02 -0.21 119.26 121.36 1gmu h ALA 91 Ca 0.12 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1gmu h ALA 91 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1gmu h ALA 91 CO 0.00 0.32 -0.41 -0.07 0.00 0.00 0.00 179.25 179.10 1gmu h LEU 92 N 0.85 0.59 -0.56 0.00 3.38 -1.09 -2.55 115.31 115.93 1gmu h LEU 92 Ca 0.22 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1gmu h LEU 92 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1gmu h LEU 92 CO -0.03 0.93 0.10 1.23 0.09 0.00 0.00 178.44 180.76 1gmu h GLY 93 N 1.06 0.98 2.00 0.83 0.00 -0.68 -1.75 103.07 105.51 1gmu h GLY 93 Ca 0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1gmu h GLY 93 CO 0.08 0.60 -0.04 3.43 0.00 0.00 0.00 176.54 180.60 1gmu h ASN 94 N 0.80 0.00 -0.29 0.19 4.21 -0.75 0.53 115.58 120.27 1gmu h ASN 94 Ca 0.17 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1gmu h ASN 94 Cb 0.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1gmu h ASN 94 CO 0.01 0.04 0.00 0.54 -1.29 0.00 0.00 177.43 176.73 1gmu n ARG 95 N -4.10 2.07 -3.73 0.81 1.74 -0.94 -4.95 116.66 107.57 1gmu n ARG 95 Ca -0.03 -1.62 -0.22 0.00 -0.77 0.00 0.00 57.85 55.21 1gmu n ARG 95 Cb 0.13 -1.43 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1gmu n ARG 95 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gmu n HIS 96 N 0.83 -1.98 -3.40 -1.55 8.25 0.18 -4.97 115.22 112.58 1gmu n HIS 96 Ca 0.17 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 58.09 1gmu n HIS 96 Cb 0.44 -4.35 -0.09 0.00 1.12 0.00 0.00 29.99 27.10 1gmu n HIS 96 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gmu s VAL 97 N -3.62 5.17 0.11 1.59 1.01 -0.71 -5.03 120.40 118.92 1gmu s VAL 97 Ca 0.10 0.32 -0.33 0.00 0.00 0.00 0.00 61.98 62.07 1gmu s VAL 97 Cb -0.05 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 1gmu s VAL 97 CO 0.81 0.04 1.70 -2.65 0.00 0.00 0.00 175.10 175.00 1gmu n PRO 98 N 5.36 2.33 -4.31 2.72 -0.02 -1.26 -4.72 135.00 135.10 1gmu n PRO 98 Ca -0.09 0.85 -0.18 0.00 -2.02 0.00 0.00 63.50 62.06 1gmu n PRO 98 Cb 0.50 -2.66 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 1gmu n PRO 98 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1gmu s LEU 99 N 1.87 2.02 -0.20 2.45 2.96 -1.26 -4.50 118.68 122.02 1gmu s LEU 99 Ca 0.82 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1gmu s LEU 99 Cb -0.63 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1gmu s LEU 99 CO 0.40 0.09 0.06 -1.58 -1.32 0.00 0.00 176.35 174.00 1gmu s GLN 100 N -0.21 3.88 -0.14 1.98 0.74 0.05 -0.40 119.66 125.55 1gmu s GLN 100 Ca 0.03 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.06 1gmu s GLN 100 Cb -0.03 -3.23 -0.00 0.00 1.10 0.00 0.00 33.01 30.85 1gmu s GLN 100 CO -0.00 0.16 -0.16 0.42 -0.55 0.00 0.00 175.29 175.16 1gmu s ILE 101 N 0.68 2.67 0.12 -2.34 1.01 -1.26 -1.49 121.20 120.60 1gmu s ILE 101 Ca 0.03 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1gmu s ILE 101 Cb -0.13 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1gmu s ILE 101 CO 0.02 0.52 -0.09 -0.04 0.00 0.00 0.00 174.94 175.35 1gmu s MET 102 N 0.67 0.94 -0.02 2.79 -1.94 0.00 -5.04 119.30 116.71 1gmu s MET 102 Ca -0.08 -1.34 -0.30 0.00 -1.71 0.00 0.00 55.69 52.26 1gmu s MET 102 Cb -0.16 -0.47 -0.08 0.00 2.01 0.00 0.00 34.83 36.13 1gmu s MET 102 CO 0.02 0.05 1.96 -2.14 -0.01 0.00 0.00 175.02 174.90 1gmu s PRO 103 N -3.54 3.97 0.00 2.03 0.02 -1.26 -1.62 135.00 134.60 1gmu s PRO 103 Ca 0.12 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.59 1gmu s PRO 103 Cb 0.02 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.37 1gmu s PRO 103 CO -0.01 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.93 1gmu n GLY 104 N 4.70 0.59 3.39 0.52 0.00 -1.26 -5.01 105.19 108.12 1gmu n GLY 104 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1gmu n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gmu s GLU 105 N -0.19 0.57 0.15 1.61 2.12 -0.64 -1.67 118.70 120.65 1gmu s GLU 105 Ca 0.00 0.68 0.10 0.00 0.36 0.00 0.00 54.97 56.11 1gmu s GLU 105 Cb 0.00 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1gmu s GLU 105 CO 0.00 -0.07 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.91 1gmu s LEU 106 N 0.26 2.38 -0.06 2.70 1.43 0.24 -0.82 118.68 124.81 1gmu s LEU 106 Ca -0.00 -0.80 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1gmu s LEU 106 Cb -0.03 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.15 1gmu s LEU 106 CO 0.01 0.09 0.15 -0.60 0.23 0.00 0.00 176.35 176.23 1gmu s ARG 107 N -2.38 0.15 0.18 1.70 3.52 -0.55 -1.23 118.95 120.34 1gmu s ARG 107 Ca 0.15 0.24 -0.19 0.00 -0.13 0.00 0.00 55.73 55.80 1gmu s ARG 107 Cb -0.08 0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.37 1gmu s ARG 107 CO 0.07 -0.05 0.55 1.52 -0.81 0.00 0.00 175.30 176.58 1gmu s TYR 108 N 0.32 -0.27 0.16 5.12 -0.85 -1.05 -0.77 117.35 120.00 1gmu s TYR 108 Ca -0.02 -0.04 -0.33 0.00 -0.52 0.00 0.00 57.07 56.16 1gmu s TYR 108 Cb -0.03 0.46 -0.13 0.00 0.38 0.00 0.00 41.96 42.64 1gmu s TYR 108 CO -0.01 -0.90 1.68 0.72 -1.52 0.00 0.00 175.55 175.52 1gmu n HIS 109 N -0.35 2.50 -1.60 -3.49 8.25 -1.26 0.25 115.22 119.53 1gmu n HIS 109 Ca -0.13 0.11 -0.56 0.00 -0.26 0.00 0.00 57.72 56.89 1gmu n HIS 109 Cb 0.63 -2.62 -0.08 0.00 1.12 0.00 0.00 29.99 29.04 1gmu n HIS 109 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1gmu n HIS 110 N 4.08 1.86 -3.49 4.41 -0.00 -0.81 -4.51 115.22 116.75 1gmu n HIS 110 Ca 0.17 0.48 -0.16 0.00 0.46 0.00 0.00 57.72 58.67 1gmu n HIS 110 Cb 0.32 -2.47 -0.12 0.00 -0.12 0.00 0.00 29.99 27.60 1gmu n HIS 110 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1gmu s ASP 111 N 4.84 1.05 0.29 0.26 -1.08 -1.26 -4.92 116.67 115.85 1gmu s ASP 111 Ca 1.04 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 53.04 1gmu s ASP 111 Cb -1.05 0.55 0.60 0.00 -1.46 0.00 0.00 42.92 41.56 1gmu s ASP 111 CO 0.61 -0.31 1.83 -0.74 0.52 0.00 0.00 175.17 177.08 1gmu h HIS 112 N 8.29 1.12 -0.39 -5.34 -0.00 -1.99 -0.15 115.15 116.69 1gmu h HIS 112 Ca -0.17 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.21 1gmu h HIS 112 Cb 1.15 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 1gmu h HIS 112 CO 0.16 0.42 0.18 0.28 -0.00 0.00 0.00 177.93 178.97 1gmu h VAL 113 N 0.95 1.18 -0.30 5.26 2.07 -1.99 -1.06 116.25 122.36 1gmu h VAL 113 Ca 0.51 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1gmu h VAL 113 Cb 0.56 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1gmu h VAL 113 CO -0.28 0.20 -0.35 -0.07 0.02 0.00 0.00 177.57 177.09 1gmu h LEU 114 N 0.50 0.71 -0.29 2.57 3.38 -1.82 -2.26 115.31 118.08 1gmu h LEU 114 Ca 0.13 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1gmu h LEU 114 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1gmu h LEU 114 CO -0.01 0.99 0.18 0.44 0.09 0.00 0.00 178.44 180.13 1gmu h ASP 115 N 0.56 0.35 -0.18 -0.43 3.32 -0.75 -1.37 116.42 117.92 1gmu h ASP 115 Ca 0.06 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1gmu h ASP 115 Cb 0.87 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1gmu h ASP 115 CO 0.08 0.30 -0.10 0.44 -1.72 0.00 0.00 179.24 178.24 1gmu h ASP 116 N 0.37 0.51 -0.74 6.45 3.32 -1.13 -1.39 116.42 123.81 1gmu h ASP 116 Ca 0.10 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1gmu h ASP 116 Cb 0.01 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1gmu h ASP 116 CO -0.02 0.65 0.35 -0.03 -1.72 0.00 0.00 179.24 178.47 1gmu h MET 117 N 0.49 1.06 -0.07 3.56 4.05 -0.91 -2.55 114.93 120.57 1gmu h MET 117 Ca 0.09 -0.16 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 1gmu h MET 117 Cb 0.47 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1gmu h MET 117 CO 0.03 0.83 -0.67 -0.07 0.23 0.00 0.00 176.91 177.26 1gmu h LEU 118 N 1.03 0.33 -1.84 3.39 3.38 -0.86 -2.87 115.31 117.86 1gmu h LEU 118 Ca 0.25 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1gmu h LEU 118 Cb 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gmu h LEU 118 CO -0.03 0.90 -0.14 0.03 0.09 0.00 0.00 178.44 179.29 1gmu h ARG 119 N 0.20 0.00 0.00 1.13 3.08 -0.97 0.67 114.38 118.49 1gmu h ARG 119 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1gmu h ARG 119 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1gmu h ARG 119 CO 0.11 0.14 -0.04 0.37 -1.07 0.00 0.00 179.97 179.47 1gmu h GLN 120 N 0.00 0.00 0.00 0.04 4.15 -1.23 -0.53 115.11 117.54 1gmu h GLN 120 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1gmu h GLN 120 Cb 0.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1gmu h GLN 120 CO 0.02 0.04 -0.30 1.19 -1.93 0.00 0.00 178.83 177.85 1gmu n PHE 121 N -3.22 0.16 -0.09 3.99 3.72 0.22 -4.91 117.46 117.33 1gmu n PHE 121 Ca -0.01 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1gmu n PHE 121 Cb 0.25 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1gmu n PHE 121 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gmu n GLY 122 N 1.46 0.96 3.85 1.37 0.00 -0.21 -5.08 105.19 107.54 1gmu n GLY 122 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1gmu n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gmu s LEU 123 N 0.00 4.21 -0.22 0.99 1.43 -1.14 -5.02 118.68 118.93 1gmu s LEU 123 Ca 0.00 1.09 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 1gmu s LEU 123 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1gmu s LEU 123 CO 0.00 -0.04 0.38 -0.89 0.23 0.00 0.00 176.35 176.03 1gmu s THR 124 N -1.73 5.20 -0.12 5.49 2.01 -1.26 -4.15 115.64 121.08 1gmu s THR 124 Ca 0.46 0.65 0.03 0.00 0.31 0.00 0.00 61.69 63.14 1gmu s THR 124 Cb -0.13 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1gmu s THR 124 CO 0.20 0.24 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.46 1gmu s VAL 125 N 1.46 2.30 0.00 3.82 1.01 -1.26 -4.11 120.40 123.61 1gmu s VAL 125 Ca 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1gmu s VAL 125 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1gmu s VAL 125 CO 0.08 0.55 0.00 0.35 0.00 0.00 0.00 175.10 176.08 1gmu n THR 126 N 3.65 0.00 -4.00 3.92 -2.24 -0.31 -4.96 114.28 110.34 1gmu n THR 126 Ca -0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1gmu n THR 126 Cb 0.53 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1gmu n THR 126 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1gmu s PHE 127 N -0.99 0.46 -0.02 4.78 -0.71 -1.26 -0.15 117.98 120.08 1gmu s PHE 127 Ca 0.00 -0.80 -0.23 0.00 -1.04 0.00 0.00 56.93 54.87 1gmu s PHE 127 Cb 0.00 0.03 0.07 0.00 -1.21 0.00 0.00 43.02 41.92 1gmu s PHE 127 CO 0.00 -0.87 1.02 0.41 -1.34 0.00 0.00 175.22 174.44 1gmu n GLY 128 N -0.32 0.30 3.18 1.99 0.00 -0.32 -4.88 105.19 105.15 1gmu n GLY 128 Ca -0.03 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.62 1gmu n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gmu s GLN 129 N -2.01 2.30 0.08 1.61 -1.52 -1.26 -0.99 119.66 117.88 1gmu s GLN 129 Ca 0.24 -1.48 -0.03 0.00 -1.95 0.00 0.00 55.36 52.14 1gmu s GLN 129 Cb -0.01 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 1gmu s GLN 129 CO -0.00 -0.83 0.05 -0.51 -0.25 0.00 0.00 175.29 173.75 1gmu s LEU 130 N 1.25 2.02 0.44 2.90 1.43 -0.75 -4.70 118.68 121.27 1gmu s LEU 130 Ca 0.01 -0.98 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 1gmu s LEU 130 Cb -0.21 0.44 -0.08 0.00 0.03 0.00 0.00 46.19 46.37 1gmu s LEU 130 CO -0.01 -0.67 1.30 -2.84 0.23 0.00 0.00 176.35 174.36 1gmu s PRO 131 N -3.94 3.78 -0.21 1.29 0.02 -1.26 -0.46 135.00 134.21 1gmu s PRO 131 Ca 0.12 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1gmu s PRO 131 Cb 0.07 -2.62 0.05 0.00 0.02 0.00 0.00 34.50 32.02 1gmu s PRO 131 CO -0.07 -0.65 -0.08 0.12 -0.33 0.00 0.00 177.00 176.00 1gmu s PHE 132 N -1.30 2.31 -0.63 6.54 5.36 -1.26 -4.89 117.98 124.12 1gmu s PHE 132 Ca 0.61 -1.59 0.05 0.00 -0.96 0.00 0.00 56.93 55.03 1gmu s PHE 132 Cb -0.38 -1.57 0.16 0.00 -0.34 0.00 0.00 43.02 40.89 1gmu s PHE 132 CO 0.47 -0.74 0.42 -1.21 -1.46 0.00 0.00 175.22 172.71 1gmu s GLU 133 N 1.43 2.14 0.95 10.12 0.41 -1.26 -4.64 118.70 127.84 1gmu s GLU 133 Ca -0.03 -3.01 -0.12 0.00 -0.41 0.00 0.00 54.97 51.41 1gmu s GLU 133 Cb -0.17 -3.12 0.16 0.00 -1.78 0.00 0.00 34.13 29.22 1gmu s GLU 133 CO -0.07 -1.26 1.09 -1.25 -0.49 0.00 0.00 175.26 173.28 1gmu s PRO 134 N -0.98 0.85 0.33 0.39 0.04 -1.26 -4.59 135.00 129.77 1gmu s PRO 134 Ca 0.24 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1gmu s PRO 134 Cb -0.08 -1.76 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 1gmu s PRO 134 CO -0.13 -2.54 1.44 0.39 0.04 0.00 0.00 177.00 176.21 1gmu n GLU 135 N -4.09 2.43 0.10 4.56 -0.58 0.46 -4.87 120.64 118.65 1gmu n GLU 135 Ca 0.07 0.86 0.10 0.00 -0.42 0.00 0.00 57.16 57.77 1gmu n GLU 135 Cb 0.55 -2.55 0.58 0.00 -0.57 0.00 0.00 31.44 29.45 1gmu n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gmu h ALA 136 N 3.42 2.03 0.00 0.62 0.00 -1.92 -1.60 119.26 121.81 1gmu h ALA 136 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1gmu h ALA 136 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1gmu h ALA 136 CO 0.69 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1gmu n GLY 137 N -1.54 -0.58 0.12 0.00 0.00 -1.26 -1.84 105.19 100.09 1gmu n GLY 137 Ca 0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1gmu n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmu h ALA 138 N 2.32 0.96 -2.07 4.61 0.00 -1.65 -3.46 119.26 119.96 1gmu h ALA 138 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1gmu h ALA 138 Cb 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.73 1gmu h ALA 138 CO 0.00 0.00 -0.67 0.71 0.00 0.00 0.00 179.25 179.29 1gmu s TYR 139 N -3.13 1.95 -2.00 0.00 1.51 -0.77 -4.94 117.35 109.97 1gmu s TYR 139 Ca 0.09 -0.71 0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1gmu s TYR 139 Cb 0.11 -1.12 0.49 0.00 -0.11 0.00 0.00 41.96 41.32 1gmu s TYR 139 CO 0.62 0.26 0.94 0.00 -1.11 0.00 0.00 175.55 176.27