#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 4.10 -0.15 -0.89 2.96 -1.26 -4.98 118.68 118.45 1gmu s LEU 2 Ca 0.00 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 1gmu s LEU 2 Cb 0.00 -3.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1gmu s LEU 2 CO 0.00 -0.64 -0.10 -0.31 -1.32 0.00 0.00 176.35 173.98 1gmu s TYR 3 N 3.11 2.87 -0.47 5.38 1.51 -1.26 -0.38 117.35 128.12 1gmu s TYR 3 Ca 0.42 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.64 1gmu s TYR 3 Cb -0.15 -1.92 0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1gmu s TYR 3 CO 0.06 -0.27 0.39 -0.51 -1.11 0.00 0.00 175.55 174.11 1gmu s LEU 4 N 0.61 5.57 -0.00 -1.29 1.43 -0.06 -4.23 118.68 120.71 1gmu s LEU 4 Ca -0.06 -1.28 0.21 0.00 -1.03 0.00 0.00 54.13 51.97 1gmu s LEU 4 Cb -0.15 -2.18 -0.18 0.00 0.03 0.00 0.00 46.19 43.70 1gmu s LEU 4 CO 0.03 -0.63 0.93 0.35 0.23 0.00 0.00 176.35 177.26 1gmu n THR 5 N 5.20 0.00 -3.76 5.49 -2.24 -0.72 -1.15 114.28 117.11 1gmu n THR 5 Ca -0.12 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1gmu n THR 5 Cb 0.44 0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 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 -3.01 0.85 -0.24 -0.78 -2.07 -1.10 -4.47 119.66 108.84 1gmu s GLN 6 Ca 0.08 -0.63 -0.06 0.00 -1.82 0.00 0.00 55.36 52.92 1gmu s GLN 6 Cb 0.16 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 1gmu s GLN 6 CO 0.86 -0.28 0.04 0.50 -1.32 0.00 0.00 175.29 175.09 1gmu s ARG 7 N -3.01 3.57 0.25 9.60 3.52 -1.26 -0.86 118.95 130.77 1gmu s ARG 7 Ca -0.02 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 1gmu s ARG 7 Cb 0.01 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.05 1gmu s ARG 7 CO -0.06 -0.20 1.37 -0.51 -0.81 0.00 0.00 175.30 175.09 1gmu s LEU 8 N 1.58 4.40 0.15 -0.88 1.43 -0.52 -4.90 118.68 119.94 1gmu s LEU 8 Ca 0.06 2.59 -0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1gmu s LEU 8 Cb -0.15 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1gmu s LEU 8 CO 0.02 -0.62 1.35 -0.33 0.23 0.00 0.00 176.35 177.00 1gmu h GLU 9 N 4.79 0.34 -4.72 1.70 4.39 -1.98 -3.39 114.58 115.70 1gmu h GLU 9 Ca -0.46 -0.35 -0.68 0.00 0.34 0.00 0.00 59.36 58.21 1gmu h GLU 9 Cb 1.22 0.10 -0.34 0.00 -0.10 0.00 0.00 28.75 29.62 1gmu h GLU 9 CO 0.75 1.03 -0.69 0.42 -1.16 0.00 0.00 179.01 179.37 1gmu s ILE 10 N -3.30 2.87 0.54 3.13 1.01 -1.26 -5.10 121.20 119.09 1gmu s ILE 10 Ca -0.05 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 58.75 1gmu s ILE 10 Cb 0.09 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1gmu s ILE 10 CO 0.85 -0.26 1.21 -2.16 0.00 0.00 0.00 174.94 174.57 1gmu s PRO 11 N 1.17 3.27 0.31 2.79 0.04 -1.26 -5.05 135.00 136.27 1gmu s PRO 11 Ca -0.01 1.84 0.09 0.00 0.04 0.00 0.00 61.00 62.95 1gmu s PRO 11 Cb -0.20 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1gmu s PRO 11 CO -0.03 -0.97 0.07 0.00 0.04 0.00 0.00 177.00 176.11 1gmu s ALA 12 N -1.57 3.33 0.01 8.56 0.00 -1.26 -5.06 121.76 125.78 1gmu s ALA 12 Ca 0.72 -1.75 -0.35 0.00 0.00 0.00 0.00 51.96 50.58 1gmu s ALA 12 Cb -0.30 -0.73 -0.13 0.00 0.00 0.00 0.00 23.12 21.95 1gmu s ALA 12 CO 0.35 0.14 1.72 0.00 0.00 0.00 0.00 175.76 177.96 1gmu n ALA 13 N -1.03 0.88 -1.77 0.00 0.00 -1.26 -4.89 120.51 112.44 1gmu n ALA 13 Ca -0.05 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.36 1gmu n ALA 13 Cb 0.60 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 1gmu n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gmu s ALA 14 N 2.56 3.40 -0.53 0.00 0.00 -1.26 -4.70 121.76 121.22 1gmu s ALA 14 Ca 0.87 1.33 0.13 0.00 0.00 0.00 0.00 51.96 54.29 1gmu s ALA 14 Cb -0.73 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 18.73 1gmu s ALA 14 CO 0.47 -0.83 0.52 0.25 0.00 0.00 0.00 175.76 176.16 1gmu n THR 15 N 0.40 0.00 -3.80 0.00 -2.24 0.97 -4.97 114.28 104.64 1gmu n THR 15 Ca 0.02 -0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1gmu n THR 15 Cb 0.42 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 -2.34 -1.52 0.08 6.98 0.00 -1.11 -4.97 121.76 118.87 1gmu s ALA 16 Ca 0.04 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.89 1gmu s ALA 16 Cb 0.10 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1gmu s ALA 16 CO 0.54 -1.05 -0.05 -1.54 0.00 0.00 0.00 175.76 173.66 1gmu s SER 17 N -3.08 0.86 -0.03 0.00 1.04 -1.26 -0.74 113.70 110.49 1gmu s SER 17 Ca 0.15 -0.97 -0.01 0.00 0.48 0.00 0.00 55.95 55.60 1gmu s SER 17 Cb -0.02 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1gmu s SER 17 CO 0.04 -0.50 0.04 0.54 0.98 0.00 0.00 173.24 174.34 1gmu s VAL 18 N -3.60 -0.08 -0.34 5.02 0.11 0.01 -0.64 120.40 120.90 1gmu s VAL 18 Ca 0.08 0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1gmu s VAL 18 Cb 0.05 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.80 1gmu s VAL 18 CO -0.06 0.11 0.19 -0.89 -3.33 0.00 0.00 175.10 171.12 1gmu s THR 19 N 1.39 4.77 0.04 5.04 2.01 -1.26 -0.58 115.64 127.05 1gmu s THR 19 Ca -0.05 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1gmu s THR 19 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1gmu s THR 19 CO -0.03 -0.04 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.00 1gmu s LEU 20 N 1.63 2.19 0.74 4.42 1.43 -0.21 -4.73 118.68 124.15 1gmu s LEU 20 Ca 0.04 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1gmu s LEU 20 Cb -0.18 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.72 1gmu s LEU 20 CO 0.07 -0.07 1.12 -2.16 0.23 0.00 0.00 176.35 175.54 1gmu s PRO 21 N -1.21 2.56 0.38 1.29 0.04 -1.26 -1.29 135.00 135.51 1gmu s PRO 21 Ca -0.03 0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.48 1gmu s PRO 21 Cb -0.08 -1.99 0.80 0.00 0.04 0.00 0.00 34.50 33.27 1gmu s PRO 21 CO 0.01 -1.23 1.99 0.97 0.04 0.00 0.00 177.00 178.77 1gmu h ILE 22 N -0.80 1.03 0.00 0.56 6.09 -1.91 -1.88 117.51 120.60 1gmu h ILE 22 Ca -0.45 -0.23 -0.02 0.00 -1.37 0.00 0.00 64.86 62.78 1gmu h ILE 22 Cb 1.27 0.30 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 1gmu h ILE 22 CO 0.64 0.12 -0.10 -2.24 -3.07 0.00 0.00 178.15 173.50 1gmu h ASP 23 N 0.67 0.00 0.37 2.19 2.03 -1.98 -2.41 116.42 117.30 1gmu h ASP 23 Ca 0.27 0.00 -0.31 0.00 -0.73 0.00 0.00 57.03 56.25 1gmu h ASP 23 Cb 0.21 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.66 1gmu h ASP 23 CO -0.08 0.10 -1.83 0.52 -1.03 0.00 0.00 179.24 176.92 1gmu n VAL 24 N -3.74 1.63 0.79 4.15 0.31 -0.78 -4.04 118.33 116.65 1gmu n VAL 24 Ca -0.02 -0.77 0.07 0.00 -0.01 0.00 0.00 64.34 63.62 1gmu n VAL 24 Cb 0.21 -1.16 0.40 0.00 -0.91 0.00 0.00 33.84 32.38 1gmu n VAL 24 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1gmu n ARG 25 N -3.12 0.30 -0.07 5.55 1.74 -0.78 -1.48 116.66 118.80 1gmu n ARG 25 Ca -0.22 0.10 0.05 0.00 -0.77 0.00 0.00 57.85 57.02 1gmu n ARG 25 Cb 1.06 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 31.08 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 -1.19 0.39 -3.63 1.55 0.24 -1.11 -0.98 118.33 113.60 1gmu n VAL 26 Ca 0.09 -0.69 -0.30 0.00 -2.04 0.00 0.00 64.34 61.39 1gmu n VAL 26 Cb 0.10 0.94 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.93 3.60 -0.23 7.34 1.02 -0.55 -4.79 119.74 125.20 1gmu s LYS 27 Ca 0.16 -0.13 0.11 0.00 0.02 0.00 0.00 55.97 56.13 1gmu s LYS 27 Cb 0.10 -2.81 -0.22 0.00 -0.52 0.00 0.00 37.83 34.38 1gmu s LYS 27 CO 0.14 0.41 -0.06 -1.13 -0.92 0.00 0.00 175.35 173.80 1gmu n SER 28 N -0.24 0.86 -3.91 2.83 3.41 -1.26 -4.90 113.62 110.42 1gmu n SER 28 Ca -0.03 -0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.23 1gmu n SER 28 Cb 0.53 0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 64.70 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 -2.50 1.47 -0.14 4.33 0.52 -1.25 -1.02 118.95 120.35 1gmu s ARG 29 Ca -0.21 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 53.84 1gmu s ARG 29 Cb 0.07 -2.46 0.12 0.00 0.52 0.00 0.00 34.95 33.20 1gmu s ARG 29 CO 0.73 -0.59 0.96 0.54 0.02 0.00 0.00 175.30 176.96 1gmu s VAL 30 N 1.49 0.00 0.07 3.52 0.11 -0.98 -4.98 120.40 119.63 1gmu s VAL 30 Ca -0.04 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.77 1gmu s VAL 30 Cb -0.18 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1gmu s VAL 30 CO -0.07 0.00 0.70 -0.75 -3.33 0.00 0.00 175.10 171.66 1gmu s LYS 31 N -1.32 4.43 0.27 1.54 2.20 -1.26 -0.31 119.74 125.29 1gmu s LYS 31 Ca -0.02 0.97 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 1gmu s LYS 31 Cb -0.00 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1gmu s LYS 31 CO 0.01 0.43 0.12 0.14 -0.36 0.00 0.00 175.35 175.69 1gmu s VAL 32 N -0.52 0.45 -0.09 4.02 -7.23 -0.12 -4.95 120.40 111.95 1gmu s VAL 32 Ca 0.35 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1gmu s VAL 32 Cb -0.21 -2.58 0.02 0.00 0.56 0.00 0.00 36.38 34.17 1gmu s VAL 32 CO 0.22 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.00 1gmu s THR 33 N -3.72 1.26 0.84 5.32 2.01 -1.26 -1.62 115.64 118.47 1gmu s THR 33 Ca 0.37 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 1gmu s THR 33 Cb 0.07 -1.18 0.10 0.00 0.01 0.00 0.00 72.50 71.50 1gmu s THR 33 CO 0.15 0.39 1.09 -0.76 -0.69 0.00 0.00 174.62 174.81 1gmu s LEU 34 N 1.02 2.65 0.53 4.42 1.43 0.55 -4.66 118.68 124.63 1gmu s LEU 34 Ca -0.07 1.71 0.21 0.00 -1.03 0.00 0.00 54.13 54.95 1gmu s LEU 34 Cb -0.15 -4.25 1.36 0.00 0.03 0.00 0.00 46.19 43.18 1gmu s LEU 34 CO -0.01 -2.41 2.07 0.78 0.23 0.00 0.00 176.35 177.01 1gmu h ASN 35 N -1.39 0.00 -0.11 2.29 4.21 -1.20 -1.01 115.58 118.37 1gmu h ASN 35 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1gmu h ASN 35 Cb 1.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.46 1gmu h ASN 35 CO 0.52 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.76 1gmu n ASP 36 N -4.41 1.02 0.00 5.81 5.68 -1.26 -4.92 116.55 118.47 1gmu n ASP 36 Ca 0.03 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1gmu n ASP 36 Cb 0.35 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.98 1.61 3.77 6.12 0.00 -0.38 -5.07 105.19 112.22 1gmu n GLY 37 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.89 4.16 0.36 1.61 0.52 -1.26 -4.74 118.95 118.70 1gmu s ARG 38 Ca 0.00 1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 56.74 1gmu s ARG 38 Cb 0.00 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.70 1gmu s ARG 38 CO 0.00 -0.19 0.80 -0.51 0.02 0.00 0.00 175.30 175.42 1gmu s ASP 39 N -1.29 6.82 0.18 0.23 -0.00 -1.26 -0.33 116.67 121.02 1gmu s ASP 39 Ca 0.56 1.41 -0.18 0.00 -0.00 0.00 0.00 52.55 54.34 1gmu s ASP 39 Cb -0.27 -2.42 0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1gmu s ASP 39 CO 0.34 -0.25 0.51 0.00 -0.00 0.00 0.00 175.17 175.77 1gmu s ALA 40 N -2.04 -1.05 -0.05 5.23 0.00 -0.64 -4.35 121.76 118.86 1gmu s ALA 40 Ca 0.57 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1gmu s ALA 40 Cb -0.10 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1gmu s ALA 40 CO 0.16 -0.77 -0.11 0.20 0.00 0.00 0.00 175.76 175.24 1gmu s GLY 41 N -2.84 0.71 0.02 0.00 0.00 0.49 -0.95 107.32 104.75 1gmu s GLY 41 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 44.72 44.13 1gmu s GLY 41 CO -0.06 0.11 0.94 1.08 0.00 0.00 0.00 173.10 175.17 1gmu s LEU 42 N 0.60 4.40 -0.40 0.66 1.43 0.57 -0.88 118.68 125.05 1gmu s LEU 42 Ca -0.12 1.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.70 1gmu s LEU 42 Cb -0.14 -3.52 0.29 0.00 0.03 0.00 0.00 46.19 42.85 1gmu s LEU 42 CO 0.03 -0.20 0.68 -0.11 0.23 0.00 0.00 176.35 176.98 1gmu n LEU 43 N 3.61 -0.22 -4.93 1.79 7.94 -0.30 -2.32 117.00 122.58 1gmu n LEU 43 Ca 0.04 -4.54 -0.19 0.00 -1.11 0.00 0.00 56.01 50.21 1gmu n LEU 43 Cb 0.51 0.71 -0.01 0.00 0.53 0.00 0.00 43.42 45.16 1gmu n LEU 43 CO 0.51 2.13 0.07 -0.76 -1.11 0.00 0.00 177.39 178.23 1gmu s LEU 44 N -1.60 3.47 0.69 -1.96 2.01 -0.19 -4.16 118.68 116.94 1gmu s LEU 44 Ca 0.35 -0.64 -0.13 0.00 0.01 0.00 0.00 54.13 53.73 1gmu s LEU 44 Cb 0.24 -2.25 0.01 0.00 0.01 0.00 0.00 46.19 44.21 1gmu s LEU 44 CO -0.11 -0.73 1.08 -2.16 1.01 0.00 0.00 176.35 175.44 1gmu s PRO 45 N -4.23 2.75 0.73 1.29 0.04 -1.26 -4.73 135.00 129.58 1gmu s PRO 45 Ca 0.51 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 1gmu s PRO 45 Cb -0.06 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1gmu s PRO 45 CO 0.30 -1.26 1.08 1.03 0.04 0.00 0.00 177.00 178.19 1gmu s ARG 46 N -4.59 2.68 0.00 4.56 0.52 -1.26 -4.25 118.95 116.61 1gmu s ARG 46 Ca 0.62 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 1gmu s ARG 46 Cb -0.17 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1gmu s ARG 46 CO 0.49 -1.21 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1gmu n GLY 47 N -2.36 0.50 3.88 -3.53 0.00 -1.26 -5.05 105.19 97.36 1gmu n GLY 47 Ca 0.07 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 4.18 -0.28 0.99 1.43 -1.26 -5.08 118.68 118.66 1gmu s LEU 48 Ca 0.00 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1gmu s LEU 48 Cb 0.00 -2.80 0.08 0.00 0.03 0.00 0.00 46.19 43.49 1gmu s LEU 48 CO 0.00 0.16 -0.02 -0.22 0.23 0.00 0.00 176.35 176.50 1gmu s LEU 49 N -2.54 3.45 -0.13 1.79 2.96 -1.26 -4.46 118.68 118.49 1gmu s LEU 49 Ca 0.33 -1.59 -0.29 0.00 -0.22 0.00 0.00 54.13 52.36 1gmu s LEU 49 Cb -0.13 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1gmu s LEU 49 CO 0.26 -0.29 1.06 -0.76 -1.32 0.00 0.00 176.35 175.31 1gmu s LEU 50 N 1.18 4.21 0.11 -0.68 1.43 -0.15 -5.02 118.68 119.76 1gmu s LEU 50 Ca 0.00 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1gmu s LEU 50 Cb -0.19 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1gmu s LEU 50 CO -0.08 -0.55 0.19 -0.13 0.23 0.00 0.00 176.35 176.01 1gmu s ARG 51 N 2.45 3.21 0.28 1.70 1.81 -1.26 -4.86 118.95 122.28 1gmu s ARG 51 Ca 0.49 -0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 53.57 1gmu s ARG 51 Cb -0.19 -2.87 -0.13 0.00 -0.45 0.00 0.00 34.95 31.32 1gmu s ARG 51 CO 0.15 0.55 1.39 0.41 -0.68 0.00 0.00 175.30 177.12 1gmu n GLY 52 N -0.06 0.77 0.00 -3.53 0.00 -1.26 -1.30 105.19 99.81 1gmu n GLY 52 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1gmu n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gmu n GLY 53 N 1.72 3.27 3.74 -0.02 0.00 0.16 -4.96 105.19 109.11 1gmu n GLY 53 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.50 4.93 -0.15 1.61 1.01 -0.42 -4.69 116.67 118.45 1gmu s ASP 54 Ca 0.00 2.52 0.02 0.00 0.71 0.00 0.00 52.55 55.79 1gmu s ASP 54 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 1gmu s ASP 54 CO 0.00 -1.78 -0.21 -0.69 0.21 0.00 0.00 175.17 172.70 1gmu s VAL 55 N -1.48 2.02 0.11 -1.27 1.01 -1.26 -0.28 120.40 119.25 1gmu s VAL 55 Ca 0.80 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1gmu s VAL 55 Cb -0.34 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1gmu s VAL 55 CO 0.37 0.54 0.24 -0.76 0.00 0.00 0.00 175.10 175.49 1gmu s LEU 56 N 1.00 4.31 0.12 3.92 1.43 0.26 -1.44 118.68 128.28 1gmu s LEU 56 Ca -0.03 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1gmu s LEU 56 Cb -0.15 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1gmu s LEU 56 CO -0.06 0.10 -0.03 -0.94 0.23 0.00 0.00 176.35 175.65 1gmu s SER 57 N -2.93 1.00 0.62 2.29 1.04 -0.04 -0.31 113.70 115.38 1gmu s SER 57 Ca 0.34 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 1gmu s SER 57 Cb -0.12 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.20 1gmu s SER 57 CO 0.28 -0.54 0.88 0.54 0.98 0.00 0.00 173.24 175.38 1gmu s ASN 58 N -3.07 4.98 0.20 7.02 4.22 -1.16 -1.75 114.94 125.39 1gmu s ASN 58 Ca 0.16 0.05 -0.10 0.00 -2.14 0.00 0.00 52.86 50.84 1gmu s ASN 58 Cb 0.06 -0.79 0.25 0.00 1.28 0.00 0.00 41.25 42.05 1gmu s ASN 58 CO -0.02 -1.40 1.76 -0.08 -2.04 0.00 0.00 177.10 175.33 1gmu h GLU 59 N -0.22 0.46 0.00 3.55 4.22 -1.95 -2.35 114.58 118.29 1gmu h GLU 59 Ca -0.42 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1gmu h GLU 59 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1gmu h GLU 59 CO 0.52 0.31 0.00 -0.85 -2.18 0.00 0.00 179.01 176.81 1gmu n GLU 60 N -4.93 0.23 -3.29 1.92 0.00 -1.26 -4.92 120.64 108.39 1gmu n GLU 60 Ca 0.08 0.08 -0.17 0.00 0.00 0.00 0.00 57.16 57.14 1gmu n GLU 60 Cb 0.23 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.23 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 0.76 -0.20 0.00 -1.84 0.00 -0.88 -4.91 105.19 98.11 1gmu n GLY 61 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.19 0.00 -4.63 2.61 -2.24 -1.26 -4.98 114.28 99.60 1gmu n THR 62 Ca -0.05 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1gmu n THR 62 Cb 0.57 0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 69.49 1gmu n THR 62 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gmu s GLU 63 N -1.53 1.83 -0.25 -0.78 0.41 -1.26 -5.02 118.70 112.10 1gmu s GLU 63 Ca 0.01 -0.45 0.00 0.00 -0.41 0.00 0.00 54.97 54.12 1gmu s GLU 63 Cb 0.02 -1.50 0.07 0.00 -1.78 0.00 0.00 34.13 30.95 1gmu s GLU 63 CO 0.13 0.03 -0.01 -0.06 -0.49 0.00 0.00 175.26 174.87 1gmu s PHE 64 N 0.66 2.24 -0.26 1.61 0.40 -1.26 -2.98 117.98 118.39 1gmu s PHE 64 Ca -0.15 -1.75 -0.09 0.00 -0.60 0.00 0.00 56.93 54.35 1gmu s PHE 64 Cb -0.16 -1.65 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1gmu s PHE 64 CO 0.04 -0.78 0.12 0.08 0.70 0.00 0.00 175.22 175.37 1gmu s VAL 65 N 1.44 4.71 -0.16 -0.44 1.01 0.57 -0.02 120.40 127.52 1gmu s VAL 65 Ca -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.64 1gmu s VAL 65 Cb -0.18 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1gmu s VAL 65 CO -0.09 0.30 0.95 -1.58 0.00 0.00 0.00 175.10 174.68 1gmu s GLN 66 N 1.67 4.34 0.13 2.72 0.74 0.08 -0.57 119.66 128.76 1gmu s GLN 66 Ca 0.07 1.25 -0.27 0.00 0.05 0.00 0.00 55.36 56.45 1gmu s GLN 66 Cb -0.15 -3.58 -0.07 0.00 1.10 0.00 0.00 33.01 30.31 1gmu s GLN 66 CO 0.07 -0.40 0.86 0.08 -0.55 0.00 0.00 175.29 175.35 1gmu s VAL 67 N 2.35 4.46 -0.03 1.34 1.01 0.62 -0.81 120.40 129.34 1gmu s VAL 67 Ca 0.44 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.32 1gmu s VAL 67 Cb -0.17 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1gmu s VAL 67 CO 0.13 0.41 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 1gmu s ILE 68 N -0.48 1.13 -0.06 2.22 -1.09 0.26 0.39 121.20 123.57 1gmu s ILE 68 Ca 0.41 -0.56 -0.30 0.00 -2.23 0.00 0.00 60.65 57.97 1gmu s ILE 68 Cb -0.23 -0.98 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 1gmu s ILE 68 CO 0.27 0.33 1.38 0.00 -1.23 0.00 0.00 174.94 175.70 1gmu s ALA 69 N 0.04 3.60 0.68 9.38 0.00 -1.26 -1.04 121.76 133.15 1gmu s ALA 69 Ca -0.02 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 1gmu s ALA 69 Cb -0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1gmu s ALA 69 CO 0.01 -1.05 1.06 0.00 0.00 0.00 0.00 175.76 175.78 1gmu s ALA 70 N 2.98 2.66 0.21 0.00 0.00 -0.41 -4.64 121.76 122.55 1gmu s ALA 70 Ca 0.62 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.46 1gmu s ALA 70 Cb -0.28 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1gmu s ALA 70 CO 0.23 -1.16 1.23 -0.51 0.00 0.00 0.00 175.76 175.55 1gmu s ASP 71 N -3.51 7.02 0.14 0.00 1.01 -1.26 -3.88 116.67 116.19 1gmu s ASP 71 Ca 0.60 2.32 0.05 0.00 0.71 0.00 0.00 52.55 56.22 1gmu s ASP 71 Cb -0.15 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1gmu s ASP 71 CO 0.51 -0.42 -0.11 -1.61 0.21 0.00 0.00 175.17 173.75 1gmu s GLU 72 N -0.38 1.04 -0.52 8.23 2.02 0.52 -4.77 118.70 124.84 1gmu s GLU 72 Ca 0.53 -1.38 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 1gmu s GLU 72 Cb -0.34 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.20 1gmu s GLU 72 CO 0.38 0.10 1.45 -1.21 0.02 0.00 0.00 175.26 176.01 1gmu s GLU 73 N -3.40 3.32 0.13 1.61 2.02 -1.26 -1.62 118.70 119.50 1gmu s GLU 73 Ca 0.14 0.60 0.07 0.00 0.02 0.00 0.00 54.97 55.81 1gmu s GLU 73 Cb 0.00 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 1gmu s GLU 73 CO 0.01 -1.90 -0.17 0.14 0.02 0.00 0.00 175.26 173.37 1gmu s VAL 74 N 6.12 1.56 0.09 2.63 -7.23 -0.31 -1.77 120.40 121.50 1gmu s VAL 74 Ca 0.56 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 1gmu s VAL 74 Cb -0.12 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.14 1gmu s VAL 74 CO 0.27 -0.29 0.57 -0.44 -0.31 0.00 0.00 175.10 174.89 1gmu s SER 75 N -2.37 7.03 -0.07 4.85 0.01 0.50 -1.44 113.70 122.22 1gmu s SER 75 Ca 0.10 1.24 0.05 0.00 1.31 0.00 0.00 55.95 58.64 1gmu s SER 75 Cb -0.07 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 1gmu s SER 75 CO 0.04 0.24 -0.21 -0.69 0.41 0.00 0.00 173.24 173.04 1gmu s VAL 76 N -1.17 2.39 -0.44 3.43 1.01 0.68 -2.48 120.40 123.82 1gmu s VAL 76 Ca 0.31 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1gmu s VAL 76 Cb -0.19 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.41 1gmu s VAL 76 CO 0.19 0.57 0.20 -0.69 0.00 0.00 0.00 175.10 175.36 1gmu s VAL 77 N -0.16 1.97 -0.25 2.92 1.01 -0.06 -0.78 120.40 125.05 1gmu s VAL 77 Ca -0.03 -2.70 -0.14 0.00 0.00 0.00 0.00 61.98 59.11 1gmu s VAL 77 Cb -0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1gmu s VAL 77 CO 0.04 -0.78 0.30 -0.60 0.00 0.00 0.00 175.10 174.06 1gmu s ARG 78 N 0.32 4.05 -0.20 2.72 3.52 -1.26 -1.24 118.95 126.87 1gmu s ARG 78 Ca 0.15 -0.05 -0.14 0.00 -0.13 0.00 0.00 55.73 55.56 1gmu s ARG 78 Cb -0.23 -3.61 0.06 0.00 -1.56 0.00 0.00 34.95 29.61 1gmu s ARG 78 CO -0.04 -0.14 0.50 0.00 -0.81 0.00 0.00 175.30 174.82 1gmu n ASP 80 N 3.56 1.95 -4.18 0.00 9.92 -1.26 -4.45 116.55 122.08 1gmu n ASP 80 Ca -0.18 -1.99 -0.40 0.00 -0.53 0.00 0.00 54.79 51.70 1gmu n ASP 80 Cb 0.56 -0.24 -0.09 0.00 -0.64 0.00 0.00 41.12 40.71 1gmu n ASP 80 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1gmu s ASP 81 N -1.02 5.60 0.42 -2.24 -1.08 -1.26 -4.95 116.67 112.13 1gmu s ASP 81 Ca 0.25 -2.10 0.13 0.00 -0.52 0.00 0.00 52.55 50.31 1gmu s ASP 81 Cb 0.13 -1.96 0.99 0.00 -1.46 0.00 0.00 42.92 40.62 1gmu s ASP 81 CO 0.17 -0.61 1.95 -0.65 0.52 0.00 0.00 175.17 176.55 1gmu h PRO 82 N 8.15 0.46 -0.20 4.34 0.11 -1.99 -1.97 132.00 140.89 1gmu h PRO 82 Ca -0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1gmu h PRO 82 Cb 1.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1gmu h PRO 82 CO 0.80 0.30 0.08 0.35 -0.21 0.00 0.00 178.00 179.32 1gmu h PHE 83 N 0.47 0.31 -0.59 0.65 -0.00 -1.98 -0.24 116.94 115.56 1gmu h PHE 83 Ca 0.32 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 58.20 1gmu h PHE 83 Cb 0.62 -0.09 -0.03 0.00 -0.00 0.00 0.00 35.95 36.45 1gmu h PHE 83 CO -0.00 0.36 0.10 0.52 -0.00 0.00 0.00 178.31 179.29 1gmu h MET 84 N 0.16 0.94 -0.42 1.11 2.86 -1.82 -1.98 114.93 115.77 1gmu h MET 84 Ca 0.07 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1gmu h MET 84 Cb 0.18 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1gmu h MET 84 CO -0.00 0.87 -0.12 -0.07 1.06 0.00 0.00 176.91 178.64 1gmu h LEU 85 N 0.89 0.75 -0.83 1.22 3.38 -1.13 -1.53 115.31 118.06 1gmu h LEU 85 Ca 0.18 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1gmu h LEU 85 Cb 0.38 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1gmu h LEU 85 CO 0.01 0.89 0.26 0.00 0.09 0.00 0.00 178.44 179.69 1gmu h ALA 86 N 1.18 1.06 -0.48 1.53 0.00 -0.62 0.35 119.26 122.27 1gmu h ALA 86 Ca 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1gmu h ALA 86 Cb 0.60 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1gmu h ALA 86 CO 0.04 0.65 -0.02 0.87 0.00 0.00 0.00 179.25 180.79 1gmu h LYS 87 N 1.09 0.80 -0.50 0.00 1.57 -0.98 -1.83 116.57 116.71 1gmu h LYS 87 Ca 0.24 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1gmu h LYS 87 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1gmu h LYS 87 CO -0.01 0.82 -0.08 0.00 -0.57 0.00 0.00 179.45 179.60 1gmu h ALA 88 N 1.24 0.69 -0.81 3.86 0.00 -0.66 -2.10 119.26 121.47 1gmu h ALA 88 Ca 0.14 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1gmu h ALA 88 Cb 0.47 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1gmu h ALA 88 CO 0.02 0.57 0.44 0.00 0.00 0.00 0.00 179.25 180.29 1gmu h TYR 90 N 1.13 0.29 -0.56 0.00 3.20 -1.20 0.95 116.97 120.78 1gmu h TYR 90 Ca 0.29 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1gmu h TYR 90 Cb 0.03 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1gmu h TYR 90 CO 0.00 0.36 0.37 0.00 -1.64 0.00 0.00 178.16 177.26 1gmu h ALA 91 N 0.90 0.71 -0.38 1.82 0.00 -1.11 -0.01 119.26 121.18 1gmu h ALA 91 Ca 0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1gmu h ALA 91 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1gmu h ALA 91 CO -0.00 0.15 -0.37 -0.07 0.00 0.00 0.00 179.25 178.95 1gmu h LEU 92 N 0.76 0.97 -0.95 0.00 3.38 -0.96 -2.96 115.31 115.56 1gmu h LEU 92 Ca 0.21 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 1gmu h LEU 92 Cb -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1gmu h LEU 92 CO -0.05 1.23 0.04 1.23 0.09 0.00 0.00 178.44 180.98 1gmu h GLY 93 N 0.81 0.86 2.00 0.83 0.00 -0.49 -2.08 103.07 105.00 1gmu h GLY 93 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1gmu h GLY 93 CO 0.09 0.51 0.00 -0.57 0.00 0.00 0.00 176.54 176.57 1gmu h ASN 94 N 0.76 0.00 -0.57 0.19 -1.24 -0.84 -0.77 115.58 113.10 1gmu h ASN 94 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1gmu h ASN 94 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1gmu h ASN 94 CO 0.01 0.00 0.00 0.54 -1.29 0.00 0.00 177.43 176.69 1gmu n ARG 95 N -3.01 2.67 -3.81 6.67 1.74 -0.90 -4.97 116.66 115.05 1gmu n ARG 95 Ca -0.01 -2.43 -0.25 0.00 -0.77 0.00 0.00 57.85 54.39 1gmu n ARG 95 Cb 0.20 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.34 -2.06 -3.34 -1.55 8.25 -0.29 -4.96 115.22 112.61 1gmu n HIS 96 Ca 0.20 0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 58.13 1gmu n HIS 96 Cb 0.57 -4.17 -0.08 0.00 1.12 0.00 0.00 29.99 27.42 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 -3.54 5.15 0.20 1.59 1.01 -0.83 -5.03 120.40 118.95 1gmu s VAL 97 Ca 0.28 0.70 -0.32 0.00 0.00 0.00 0.00 61.98 62.63 1gmu s VAL 97 Cb -0.14 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 1gmu s VAL 97 CO 0.83 0.16 1.64 -2.65 0.00 0.00 0.00 175.10 175.07 1gmu n PRO 98 N 5.20 2.50 -4.13 2.72 -0.02 -1.26 -4.67 135.00 135.33 1gmu n PRO 98 Ca -0.07 0.90 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1gmu n PRO 98 Cb 0.50 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.14 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 0.86 1.95 -0.25 2.45 2.96 -1.26 -4.49 118.68 120.90 1gmu s LEU 99 Ca 0.75 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 54.48 1gmu s LEU 99 Cb -0.58 -0.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.81 1gmu s LEU 99 CO 0.37 0.05 0.14 -1.58 -1.32 0.00 0.00 176.35 174.01 1gmu s GLN 100 N -0.03 3.93 -0.22 1.98 0.74 0.11 -0.58 119.66 125.59 1gmu s GLN 100 Ca 0.01 -0.34 -0.04 0.00 0.05 0.00 0.00 55.36 55.04 1gmu s GLN 100 Cb -0.03 -3.51 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 1gmu s GLN 100 CO -0.00 -0.06 -0.03 0.42 -0.55 0.00 0.00 175.29 175.06 1gmu s ILE 101 N 1.37 3.46 0.19 -2.34 1.01 -1.26 -1.77 121.20 121.86 1gmu s ILE 101 Ca 0.07 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1gmu s ILE 101 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1gmu s ILE 101 CO 0.06 0.42 -0.12 -0.04 0.00 0.00 0.00 174.94 175.27 1gmu s MET 102 N 1.42 1.26 -0.16 2.79 -1.94 -0.16 -5.04 119.30 117.48 1gmu s MET 102 Ca 0.05 -1.57 -0.29 0.00 -1.71 0.00 0.00 55.69 52.17 1gmu s MET 102 Cb -0.14 -0.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 1gmu s MET 102 CO -0.02 0.12 1.72 -2.14 -0.01 0.00 0.00 175.02 174.69 1gmu s PRO 103 N -3.70 3.85 0.00 2.03 0.02 -1.26 -2.27 135.00 133.67 1gmu s PRO 103 Ca 0.22 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.15 1gmu s PRO 103 Cb 0.01 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.46 1gmu s PRO 103 CO 0.05 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.89 1gmu n GLY 104 N 4.64 0.73 3.54 0.52 0.00 -1.26 -5.02 105.19 108.35 1gmu n GLY 104 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.13 0.72 0.11 1.61 2.12 -0.96 -2.06 118.70 120.10 1gmu s GLU 105 Ca 0.00 0.93 0.09 0.00 0.36 0.00 0.00 54.97 56.36 1gmu s GLU 105 Cb 0.00 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 1gmu s GLU 105 CO 0.00 -0.10 -0.24 -0.51 -0.54 0.00 0.00 175.26 173.87 1gmu s LEU 106 N 0.59 2.30 0.00 2.70 1.43 -0.37 -0.99 118.68 124.34 1gmu s LEU 106 Ca -0.02 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1gmu s LEU 106 Cb -0.05 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 45.14 1gmu s LEU 106 CO -0.03 0.12 -0.00 -0.13 0.23 0.00 0.00 176.35 176.54 1gmu s ARG 107 N -1.92 0.01 0.11 1.70 0.52 -0.73 -0.88 118.95 117.76 1gmu s ARG 107 Ca 0.10 -0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.14 1gmu s ARG 107 Cb -0.10 -0.00 0.03 0.00 0.52 0.00 0.00 34.95 35.40 1gmu s ARG 107 CO 0.05 -0.00 0.35 1.52 0.02 0.00 0.00 175.30 177.23 1gmu s TYR 108 N -0.05 -0.12 0.17 -0.53 -0.85 -1.03 -0.71 117.35 114.23 1gmu s TYR 108 Ca -0.00 -0.21 -0.33 0.00 -0.52 0.00 0.00 57.07 56.01 1gmu s TYR 108 Cb -0.00 0.17 -0.13 0.00 0.38 0.00 0.00 41.96 42.38 1gmu s TYR 108 CO -0.00 -0.65 1.63 0.72 -1.52 0.00 0.00 175.55 175.73 1gmu n HIS 109 N -0.12 2.43 -1.60 -3.49 8.25 -1.26 -0.37 115.22 119.06 1gmu n HIS 109 Ca -0.16 0.19 -0.53 0.00 -0.26 0.00 0.00 57.72 56.96 1gmu n HIS 109 Cb 0.63 -2.59 -0.06 0.00 1.12 0.00 0.00 29.99 29.09 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 3.62 1.53 -3.41 4.41 -0.00 -0.73 -4.57 115.22 116.08 1gmu n HIS 110 Ca 0.17 0.65 -0.07 0.00 0.46 0.00 0.00 57.72 58.93 1gmu n HIS 110 Cb 0.31 -2.33 -0.07 0.00 -0.12 0.00 0.00 29.99 27.77 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 0.80 -0.13 0.29 0.26 -1.08 -1.26 -4.93 116.67 110.62 1gmu s ASP 111 Ca 0.86 0.54 -0.01 0.00 -0.52 0.00 0.00 52.55 53.42 1gmu s ASP 111 Cb -0.98 1.34 0.46 0.00 -1.46 0.00 0.00 42.92 42.28 1gmu s ASP 111 CO 0.49 -0.28 1.93 -0.74 0.52 0.00 0.00 175.17 177.10 1gmu h HIS 112 N 8.15 1.08 -0.48 -5.34 -0.00 -1.99 -1.21 115.15 115.37 1gmu h HIS 112 Ca -0.19 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.18 1gmu h HIS 112 Cb 1.14 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 1gmu h HIS 112 CO 0.16 0.62 0.20 0.28 -0.00 0.00 0.00 177.93 179.19 1gmu h VAL 113 N 1.11 1.20 -0.30 5.26 2.07 -2.00 -1.65 116.25 121.95 1gmu h VAL 113 Ca 0.37 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1gmu h VAL 113 Cb 0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1gmu h VAL 113 CO -0.12 0.23 -0.31 -0.07 0.02 0.00 0.00 177.57 177.33 1gmu h LEU 114 N 0.63 0.66 0.22 2.57 3.38 -1.91 -2.40 115.31 118.47 1gmu h LEU 114 Ca 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1gmu h LEU 114 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1gmu h LEU 114 CO -0.01 0.93 -0.12 0.44 0.09 0.00 0.00 178.44 179.76 1gmu h ASP 115 N 0.55 -0.30 -0.49 -0.43 3.32 -0.92 -1.17 116.42 116.97 1gmu h ASP 115 Ca 0.06 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1gmu h ASP 115 Cb 0.81 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1gmu h ASP 115 CO 0.07 -0.20 0.24 0.44 -1.72 0.00 0.00 179.24 178.07 1gmu h ASP 116 N -0.32 0.67 -0.39 6.45 3.32 -1.28 -0.12 116.42 124.75 1gmu h ASP 116 Ca -0.02 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1gmu h ASP 116 Cb 0.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1gmu h ASP 116 CO 0.03 0.59 -0.10 -0.03 -1.72 0.00 0.00 179.24 178.01 1gmu h MET 117 N 0.75 0.84 0.00 3.56 4.05 -1.12 -2.50 114.93 120.50 1gmu h MET 117 Ca 0.19 -0.28 -0.14 0.00 -0.28 0.00 0.00 59.70 59.19 1gmu h MET 117 Cb 0.10 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1gmu h MET 117 CO -0.02 0.90 -0.65 -0.07 0.23 0.00 0.00 176.91 177.30 1gmu h LEU 118 N 0.76 0.00 -1.89 3.39 3.38 -0.55 -2.97 115.31 117.42 1gmu h LEU 118 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1gmu h LEU 118 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1gmu h LEU 118 CO 0.04 0.65 -0.12 0.03 0.09 0.00 0.00 178.44 179.12 1gmu h ARG 119 N 0.00 0.00 0.00 1.13 3.08 -0.60 -1.54 114.38 116.45 1gmu h ARG 119 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1gmu h ARG 119 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1gmu h ARG 119 CO 0.08 0.12 0.00 -0.56 -1.07 0.00 0.00 179.97 178.54 1gmu h GLN 120 N 0.00 0.00 -0.00 0.04 3.07 -1.32 -1.28 115.11 115.62 1gmu h GLN 120 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1gmu h GLN 120 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1gmu h GLN 120 CO 0.02 0.00 -0.17 1.19 0.09 0.00 0.00 178.83 179.96 1gmu n PHE 121 N -2.66 0.00 -0.01 0.06 3.72 -0.59 -4.88 117.46 113.10 1gmu n PHE 121 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1gmu n PHE 121 Cb 0.29 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.91 3.81 1.37 0.00 -0.48 -5.08 105.19 107.18 1gmu n GLY 122 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.31 0.99 1.43 -1.20 -5.03 118.68 118.78 1gmu s LEU 123 Ca 0.00 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.51 1gmu s LEU 123 Cb 0.00 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1gmu s LEU 123 CO 0.00 -0.12 0.31 -0.89 0.23 0.00 0.00 176.35 175.89 1gmu s THR 124 N -1.77 5.22 -0.21 5.49 2.01 -1.26 -4.22 115.64 120.90 1gmu s THR 124 Ca 0.51 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 1gmu s THR 124 Cb -0.14 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1gmu s THR 124 CO 0.19 0.06 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.47 1gmu s VAL 125 N 1.94 3.62 0.15 3.82 1.01 -1.26 -4.12 120.40 125.56 1gmu s VAL 125 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1gmu s VAL 125 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1gmu s VAL 125 CO 0.11 0.42 0.05 0.35 0.00 0.00 0.00 175.10 176.03 1gmu n THR 126 N 4.57 0.00 -4.22 3.92 -2.24 0.04 -4.92 114.28 111.42 1gmu n THR 126 Ca -0.18 -0.68 -0.19 0.00 -2.27 0.00 0.00 64.05 60.73 1gmu n THR 126 Cb 0.51 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.57 1gmu n THR 126 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1gmu s PHE 127 N -1.25 1.37 0.13 4.78 2.19 -1.26 -0.23 117.98 123.70 1gmu s PHE 127 Ca 0.04 -0.50 -0.25 0.00 0.33 0.00 0.00 56.93 56.55 1gmu s PHE 127 Cb -0.00 -0.74 0.07 0.00 -1.31 0.00 0.00 43.02 41.04 1gmu s PHE 127 CO 0.02 0.12 0.73 0.20 1.83 0.00 0.00 175.22 178.12 1gmu s GLY 128 N -2.09 -0.47 -0.67 13.12 0.00 -0.52 -4.88 107.32 111.82 1gmu s GLY 128 Ca 0.04 0.50 -0.09 0.00 0.00 0.00 0.00 44.72 45.18 1gmu s GLY 128 CO 0.03 0.16 0.54 1.20 0.00 0.00 0.00 173.10 175.04 1gmu s GLN 129 N -3.54 2.94 0.09 2.90 -1.52 -1.26 -1.16 119.66 118.12 1gmu s GLN 129 Ca 0.05 -2.33 0.02 0.00 -1.95 0.00 0.00 55.36 51.14 1gmu s GLN 129 Cb -0.02 -4.05 -0.04 0.00 -0.22 0.00 0.00 33.01 28.69 1gmu s GLN 129 CO -0.08 -1.23 -0.07 -0.51 -0.25 0.00 0.00 175.29 173.16 1gmu s LEU 130 N 0.35 2.49 0.51 2.90 1.43 -0.64 -4.66 118.68 121.06 1gmu s LEU 130 Ca 0.15 -0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 1gmu s LEU 130 Cb -0.18 -0.07 -0.06 0.00 0.03 0.00 0.00 46.19 45.91 1gmu s LEU 130 CO -0.05 -0.45 1.31 -2.16 0.23 0.00 0.00 176.35 175.23 1gmu s PRO 131 N -3.68 3.37 -0.20 1.29 0.04 -1.25 -0.35 135.00 134.21 1gmu s PRO 131 Ca 0.10 2.12 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1gmu s PRO 131 Cb 0.04 -2.34 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1gmu s PRO 131 CO -0.04 -0.97 -0.10 0.12 0.04 0.00 0.00 177.00 176.05 1gmu s PHE 132 N -1.36 2.35 -0.64 0.56 5.36 -1.25 -4.86 117.98 118.14 1gmu s PHE 132 Ca 0.68 -1.55 0.05 0.00 -0.96 0.00 0.00 56.93 55.15 1gmu s PHE 132 Cb -0.37 -1.61 0.16 0.00 -0.34 0.00 0.00 43.02 40.86 1gmu s PHE 132 CO 0.45 -0.73 0.44 -1.21 -1.46 0.00 0.00 175.22 172.71 1gmu s GLU 133 N 1.42 2.18 0.68 10.12 0.41 -1.26 -4.66 118.70 127.58 1gmu s GLU 133 Ca -0.01 -3.07 -0.16 0.00 -0.41 0.00 0.00 54.97 51.32 1gmu s GLU 133 Cb -0.16 -3.13 0.01 0.00 -1.78 0.00 0.00 34.13 29.07 1gmu s GLU 133 CO -0.08 -1.27 1.17 -1.25 -0.49 0.00 0.00 175.26 173.33 1gmu s PRO 134 N -1.08 2.56 0.57 0.39 0.04 -1.26 -4.46 135.00 131.76 1gmu s PRO 134 Ca 0.25 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 1gmu s PRO 134 Cb -0.07 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1gmu s PRO 134 CO -0.14 -1.48 1.00 0.39 0.04 0.00 0.00 177.00 176.80 1gmu n GLU 135 N -2.39 1.02 -1.73 4.56 -0.58 0.25 -4.88 120.64 116.89 1gmu n GLU 135 Ca 0.12 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.83 1gmu n GLU 135 Cb 0.51 -2.18 -0.01 0.00 -0.57 0.00 0.00 31.44 29.19 1gmu n GLU 135 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gmu n ALA 136 N -1.50 1.94 -0.00 0.62 0.00 -1.26 -4.76 120.51 115.55 1gmu n ALA 136 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1gmu n ALA 136 Cb 0.46 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1gmu n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gmu n GLY 137 N 1.18 1.51 0.00 0.00 0.00 -1.26 -5.16 105.19 101.46 1gmu n GLY 137 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1gmu n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32